A0A7N9C8U3_MACFA Loading...

Pre-B-cell leukemia transcription factor 1

As part of a PDX1:PBX1b:MEIS2B complex in pancreatic acinar cells, is involved in the transcriptional activation of the ELA1 enhancer; the complex binds to the enhancer B element and cooperates with the transcription factor 1 complex (PTF1) bound to the enhancer A element.

AlphaFold DB , UniProt , Accession A0A7N9C8U3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene PBX1, Length 301 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	51.6	Low	74	Confident	187 Å²	187	80.3 Å²	80.3	92%	0.921	41%	0.411	S	S	*	.				0	-61.5	0	-76.2	-159.7	-86.7	0	0	113.4	L3 D4 N5	M1-L3 PolarHBondContact O-N 2.79Å; M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.39Å; M1-D4 PolarHBondContact N-OD2 3.2Å; M1-D4 PolarHBondContact O-N 3.02Å; M1-N5 PolarHBondContact O-N 2.99Å
2	R	74.1	Confident	74.2	Confident	228 Å²	228	73.7 Å²	73.7	86%	0.86	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-40.2	-178.8	-168.7	173.9	-179.3	171.8	-0.4	113.6	M6	R2-M6 PolarHBondContact O-N 3.18Å
3	L	76.4	Confident	73.9	Confident	32 Å²	32	69.5 Å²	69.5	17%	0.168	36%	0.36	C	S	.	.	H	α-helix	trans	-70.2	-40.6	179.3	-61.8	171.5	0	0	0	112.3	M1 N5 M6 L7 M108 K111 Q112 C115	M1-L3 PolarHBondContact O-N 2.79Å; L3-N5 PolarHBondContact O-N 2.99Å; L3-M6 HydrophobicContact CD2-CE 4.37Å; L3-M6 PolarHBondContact O-N 3.41Å; L3-M6 VanDerWaalsContact O-N 3.11Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.13Å; L3-M108 HydrophobicContact CD1-CG 4.36Å; L3-K111 HydrophobicContact CB-CB 4.22Å; L3-K111 HydrophobicContact CD1-CB 4.22Å; L3-Q112 HydrophobicContact CD1-CB 4.15Å; L3-Q112 VanDerWaalsContact CD2-OE1 3.26Å; L3-C115 HydrophobicContact CD2-CB 3.99Å
4	D	74.7	Confident	73.1	Confident	46 Å²	46	66.4 Å²	66.4	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-46.8	177.9	-53.2	-63.5	0	0	0	111.3	M1 M6 L7 L8 K111	M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.39Å; M1-D4 PolarHBondContact N-OD2 3.2Å; M1-D4 PolarHBondContact O-N 3.02Å; D4-M6 VanDerWaalsContact C-N 3.27Å; D4-M6 PolarHBondContact O-N 3.4Å; D4-L7 PolarHBondContact O-N 3.44Å; D4-L8 WeakPolarHBondContact O-CB 3.35Å; D4-L8 WeakPolarHBondContact O-CD1 3.43Å; D4-L8 WeakPolarHBondContact O-CG 3.24Å; D4-L8 PolarHBondContact O-N 3.25Å; D4-K111 VanDerWaalsContact OD1-CD 3.29Å; D4-K111 WeakPolarHBondContact OD1-CD 3.38Å; D4-K111 VanDerWaalsContact OD1-CE 3.25Å; D4-K111 WeakPolarHBondContact OD1-CE 3.49Å; D4-K111 IonicContact OD1-NZ 3.99Å; D4-K111 PolarHBondContact OD1-NZ 3.15Å
5	N	78.7	Confident	71.6	Confident	107 Å²	107	70.1 Å²	70.1	57%	0.572	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-33.4	176.6	-68.8	-15.1	0	0	0	112.2	M1 L3 A9	M1-N5 PolarHBondContact O-N 2.99Å; L3-N5 PolarHBondContact O-N 2.99Å; N5-A9 VanDerWaalsContact O-CB 3.26Å; N5-A9 WeakPolarHBondContact O-CB 3.23Å; N5-A9 PolarHBondContact O-N 3.45Å
6	M	78.5	Confident	70.5	Confident	63 Å²	63	74 Å²	74	31%	0.31	40%	0.398	S	S	.	.	H	α-helix	trans	-73.1	-43.1	177.8	-168.1	166.4	71.4	0	0	112	R2 L3 D4 L8 A9 E10 C115 M119	R2-M6 PolarHBondContact O-N 3.18Å; L3-M6 HydrophobicContact CD2-CE 4.37Å; L3-M6 PolarHBondContact O-N 3.41Å; L3-M6 VanDerWaalsContact O-N 3.11Å; D4-M6 VanDerWaalsContact C-N 3.27Å; D4-M6 PolarHBondContact O-N 3.4Å; M6-L8 VanDerWaalsContact C-N 3.32Å; M6-L8 PolarHBondContact O-N 3.36Å; M6-A9 PolarHBondContact O-N 3.47Å; M6-E10 WeakPolarHBondContact O-CG 3.39Å; M6-E10 PolarHBondContact O-N 3.21Å; M6-C115 HydrophobicContact CE-CB 3.11Å; M6-C115 WeakPolarHBondContact CE-SG 3.38Å; M6-M119 HydrophobicContact CE-SD 4.4Å; M6-M119 HydrophobicContact SD-SD 4.42Å
7	L	79.9	Confident	68.9	Low	1 Å²	1	81.9 Å²	81.9	1%	0.005	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-37.7	174.2	-65.8	176	0	0	0	111.2	L3 D4 G11 V12 A13 Y56 K111 T114 C115	L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.13Å; D4-L7 PolarHBondContact O-N 3.44Å; L7-G11 CarbonylContact O-C 3.37Å; L7-G11 PolarHBondContact O-N 3.12Å; L7-G11 VanDerWaalsContact O-N 3.17Å; L7-V12 HydrophobicContact CB-CB 4.26Å; L7-V12 HydrophobicContact CD2-CB 3.92Å; L7-V12 HydrophobicContact CD2-CG1 3.78Å; L7-V12 WeakPolarHBondContact O-CA 3.46Å; L7-V12 PolarHBondContact O-N 3.24Å; L7-A13 HydrophobicContact CB-CB 3.64Å; L7-A13 PolarHBondContact O-N 3.5Å; L7-Y56 HydrophobicContact CD1-CE1 4.4Å; L7-Y56 HydrophobicContact CD1-CE2 4.04Å; L7-K111 HydrophobicContact CD1-CB 4.01Å; L7-K111 HydrophobicContact CD1-CG 3.87Å; L7-T114 HydrophobicContact CD2-CG2 3.63Å; L7-C115 VanDerWaalsContact CD2-SG 3.53Å; L7-C115 VanDerWaalsContact CG-SG 3.57Å
8	L	79.1	Confident	67.5	Low	91 Å²	91	80.1 Å²	80.1	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-46.5	172.9	-80.9	158.7	0	0	0	112.1	D4 M6 E10 G11 A13	D4-L8 WeakPolarHBondContact O-CB 3.35Å; D4-L8 WeakPolarHBondContact O-CD1 3.43Å; D4-L8 WeakPolarHBondContact O-CG 3.24Å; D4-L8 PolarHBondContact O-N 3.25Å; M6-L8 VanDerWaalsContact C-N 3.32Å; M6-L8 PolarHBondContact O-N 3.36Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-E10 PolarHBondContact O-N 2.9Å; L8-G11 WeakPolarHBondContact O-CA 3.49Å; L8-G11 PolarHBondContact O-N 3Å; L8-A13 WeakPolarHBondContact CA-O 3.35Å; L8-A13 WeakPolarHBondContact CD2-O 3.36Å; L8-A13 HydrophobicContact CG-CB 4.41Å
9	A	72.1	Confident	66.3	Low	81 Å²	81	77.5 Å²	77.5	67%	0.669	43%	0.427	S	S	*	.	H	α-helix	trans	-64	-37.6	-179.1	0	0	0	0	0	112.9	N5 M6 G11	N5-A9 VanDerWaalsContact O-CB 3.26Å; N5-A9 WeakPolarHBondContact O-CB 3.23Å; N5-A9 PolarHBondContact O-N 3.45Å; M6-A9 PolarHBondContact O-N 3.47Å; A9-G11 PolarHBondContact O-N 2.87Å
10	E	75.3	Confident	65.2	Low	35 Å²	35	76 Å²	76	16%	0.164	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.9	175.9	-63.6	-72.3	171.4	0	0	112.1	M6 L8 V12 V118 R122	M6-E10 WeakPolarHBondContact O-CG 3.39Å; M6-E10 PolarHBondContact O-N 3.21Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-E10 PolarHBondContact O-N 2.9Å; E10-V12 HydrophobicContact CB-CG2 4.28Å; E10-V12 PolarHBondContact O-N 3.01Å; E10-V118 HydrophobicContact CB-CG1 3.97Å; E10-V118 HydrophobicContact CG-CG1 3.71Å; E10-R122 IonicContact OE1-CZ 3.78Å; E10-R122 IonicContact OE1-NH1 3.68Å; E10-R122 PolarHBondContact OE1-NH1 3.03Å
11	G	74	Confident	64.5	Low	12 Å²	12	76.1 Å²	76.1	12%	0.124	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	12.6	179.2	0	0	0	0	0	113.8	L7 L8 A9 R53	L7-G11 CarbonylContact O-C 3.37Å; L7-G11 PolarHBondContact O-N 3.12Å; L7-G11 VanDerWaalsContact O-N 3.17Å; L8-G11 WeakPolarHBondContact O-CA 3.49Å; L8-G11 PolarHBondContact O-N 3Å; A9-G11 PolarHBondContact O-N 2.87Å; G11-R53 PolarHBondContact O-NE 2.85Å; G11-R53 PolarHBondContact O-NH2 3.43Å
12	V	75.6	Confident	64.5	Low	1 Å²	1	70.2 Å²	70.2	1%	0.006	42%	0.416	C	S	.	.	S	Bend	trans	-78.9	-27.6	179.1	178.1	0	0	0	0	112.8	L7 E10 L49 Y56 H57 T114 V118	L7-V12 HydrophobicContact CB-CB 4.26Å; L7-V12 HydrophobicContact CD2-CB 3.92Å; L7-V12 HydrophobicContact CD2-CG1 3.78Å; L7-V12 WeakPolarHBondContact O-CA 3.46Å; L7-V12 PolarHBondContact O-N 3.24Å; E10-V12 HydrophobicContact CB-CG2 4.28Å; E10-V12 PolarHBondContact O-N 3.01Å; V12-L49 HydrophobicContact CG2-CD1 4.04Å; V12-Y56 HydrophobicContact CG1-CD1 3.89Å; V12-Y56 HydrophobicContact CG1-CG 4.07Å; V12-Y56 WeakPolarHBondContact O-CD1 3.17Å; V12-H57 PolarHBondContact O-CE1 2.81Å; V12-T114 HydrophobicContact CG1-CG2 3.65Å; V12-V118 HydrophobicContact CG2-CG2 3.88Å
13	A	70.2	Confident	63.3	Low	19 Å²	19	60.7 Å²	60.7	16%	0.157	39%	0.386	C	S	.	.	S	Bend	trans	-120.1	142.7	172.6	0	0	0	0	0	110.3	L7 L8 Y56	L7-A13 HydrophobicContact CB-CB 3.64Å; L7-A13 PolarHBondContact O-N 3.5Å; L8-A13 WeakPolarHBondContact CA-O 3.35Å; L8-A13 WeakPolarHBondContact CD2-O 3.36Å; L8-A13 HydrophobicContact CG-CB 4.41Å; A13-Y56 HydrophobicContact CB-CE1 4.06Å
14	G	63.2	Low	62	Low	27 Å²	27	60.3 Å²	60.3	28%	0.278	39%	0.387	S	S	.	.	S	Bend	trans	140.6	157.6	175.6	0	0	0	0	0	113.7	E16	G14-E16 PolarHBondContact O-N 3.28Å
15	P	51.4	Low	60.7	Low	122 Å²	122	60.7 Å²	60.7	79%	0.792	40%	0.397	S	S	*	.			trans	-59.3	127.4	-176.2	23.3	-30.9	0	0	0	110.4	K17	P15-K17 PolarHBondContact O-N 2.98Å
16	E	53.7	Low	59.5	Low	132 Å²	132	58.8 Å²	58.8	62%	0.617	40%	0.396	S	S	*	.	S	Bend	trans	-53.6	7.5	-168.1	-75.8	-75.8	103.8	0	0	117.5	G14 R53	G14-E16 PolarHBondContact O-N 3.28Å; E16-R53 IonicContact OE1-CZ 3.01Å; E16-R53 IonicContact OE1-NH1 2.75Å; E16-R53 PolarHBondContact OE1-NH1 2.99Å; E16-R53 IonicContact OE1-NH2 3.89Å; E16-R53 IonicContact OE2-NH1 3.61Å
17	K	43.7	Very low	58.1	Low	208 Å²	208	57.2 Å²	57.2	90%	0.904	39%	0.393	S	S	*	.	S	Bend	trans	-108.9	84	179.9	-71.7	-172.5	177.2	179.6	0	111.9	P15	P15-K17 PolarHBondContact O-N 2.98Å
18	G	42.8	Very low	56.6	Low	50 Å²	50	59.8 Å²	59.8	52%	0.515	42%	0.415	S	S	.	.	S	Bend	trans	124.7	-9.6	154.5	0	0	0	0	0	118	G20 S21	G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.91Å; G18-S21 PolarHBondContact O-N 3.24Å; G18-S21 PolarHBondContact O-OG 2.82Å
19	G	44	Very low	55.1	Low	31 Å²	31	59.7 Å²	59.7	32%	0.32	43%	0.427	S	S	.	.	H	α-helix	trans	-69.5	-20.9	-170.7	0	0	0	0	0	116.6	S21 A22	G19-S21 PolarHBondContact O-N 3.37Å; G19-S21 VanDerWaalsContact O-N 3.15Å; G19-A22 PolarHBondContact O-N 3.43Å
20	G	45.8	Very low	54.1	Low	46 Å²	46	58.8 Å²	58.8	47%	0.474	42%	0.419	S	S	.	.	H	α-helix	trans	-66.6	-13.2	177.2	0	0	0	0	0	114.2	G18 A24 R46	G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.91Å; G20-A24 VanDerWaalsContact O-CB 3.26Å; G20-A24 WeakPolarHBondContact O-CB 3.45Å; G20-R46 PolarHBondContact O-NH2 3.19Å
21	S	50.7	Low	52.8	Low	79 Å²	79	59.3 Å²	59.3	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-85.6	-36.2	176.2	69	0	0	0	0	112.6	G18 G19 A25	G18-S21 PolarHBondContact O-N 3.24Å; G18-S21 PolarHBondContact O-OG 2.82Å; G19-S21 PolarHBondContact O-N 3.37Å; G19-S21 VanDerWaalsContact O-N 3.15Å; S21-A25 WeakPolarHBondContact O-CB 3.41Å; S21-A25 PolarHBondContact O-N 3.36Å
22	A	49.7	Very low	51.2	Low	64 Å²	64	62.3 Å²	62.3	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-76.2	-43.1	-174.1	0	0	0	0	0	112.9	G19 A25 A26	G19-A22 PolarHBondContact O-N 3.43Å; A22-A25 PolarHBondContact O-N 3.49Å; A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 2.97Å
23	A	50.8	Low	49.9	Very low	27 Å²	27	66 Å²	66	22%	0.223	50%	0.497	C	S	.	.	H	α-helix	trans	-68.1	-37.7	175.1	0	0	0	0	0	111.7	A26 A27	A23-A26 PolarHBondContact O-N 2.84Å; A23-A27 WeakPolarHBondContact O-CB 3.2Å; A23-A27 PolarHBondContact O-N 3.26Å
24	A	48.8	Very low	48.4	Very low	24 Å²	24	68.9 Å²	68.9	20%	0.198	52%	0.52	C	S	.	.	H	α-helix	trans	-68.2	-37.3	173.4	0	0	0	0	0	112.3	G20 A27 A28 R46	G20-A24 VanDerWaalsContact O-CB 3.26Å; G20-A24 WeakPolarHBondContact O-CB 3.45Å; A24-A27 PolarHBondContact O-N 2.85Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 2.85Å; A24-R46 VanDerWaalsContact CB-CZ 3.44Å; A24-R46 VanDerWaalsContact CB-NH2 3.29Å
25	A	47.7	Very low	47.5	Very low	55 Å²	55	70.4 Å²	70.4	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-69.7	-35.9	174.6	0	0	0	0	0	112.1	S21 A22 A28 A29	S21-A25 WeakPolarHBondContact O-CB 3.41Å; S21-A25 PolarHBondContact O-N 3.36Å; A22-A25 PolarHBondContact O-N 3.49Å; A25-A28 PolarHBondContact O-N 3.4Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.98Å
26	A	52.2	Low	47.4	Very low	66 Å²	66	69.7 Å²	69.7	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-68.7	-38.8	173.6	0	0	0	0	0	112	A22 A23 A30	A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 2.97Å; A23-A26 PolarHBondContact O-N 2.84Å; A26-A30 PolarHBondContact O-N 3.5Å
27	A	50	Low	47.2	Very low	31 Å²	31	68 Å²	68	26%	0.256	53%	0.529	S	S	.	.	H	α-helix	trans	-67.8	-37.2	173.2	0	0	0	0	0	112.4	A23 A24	A23-A27 WeakPolarHBondContact O-CB 3.2Å; A23-A27 PolarHBondContact O-N 3.26Å; A24-A27 PolarHBondContact O-N 2.85Å
28	A	47.5	Very low	47.9	Very low	55 Å²	55	60.8 Å²	60.8	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-76.8	-35.9	177.9	0	0	0	0	0	113.3	A24 A25 A30 S31	A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 2.85Å; A25-A28 PolarHBondContact O-N 3.4Å; A28-A30 PolarHBondContact O-N 3.03Å; A28-S31 WeakPolarHBondContact CA-OG 3.41Å; A28-S31 PolarHBondContact O-N 3.26Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A28-S31 PolarHBondContact O-OG 3.19Å
29	A	48.1	Very low	48.7	Very low	88 Å²	88	62.3 Å²	62.3	73%	0.727	50%	0.503	S	S	*	.	H	α-helix	trans	-68.3	-24.7	175.9	0	0	0	0	0	112.2	A25 S31	A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.98Å; A29-S31 VanDerWaalsContact C-N 3.33Å
30	A	50.6	Low	49.5	Very low	62 Å²	62	64.9 Å²	64.9	51%	0.512	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.3	172.7	0	0	0	0	0	113.8	A26 A28	A26-A30 PolarHBondContact O-N 3.5Å; A28-A30 PolarHBondContact O-N 3.03Å
31	S	48.7	Very low	50.6	Low	46 Å²	46	65.1 Å²	65.1	32%	0.322	50%	0.501	S	S	.	.	S	Bend	trans	-104.1	81.4	171.7	58.4	0	0	0	0	109.6	A28 A29 G33	A28-S31 WeakPolarHBondContact CA-OG 3.41Å; A28-S31 PolarHBondContact O-N 3.26Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A28-S31 PolarHBondContact O-OG 3.19Å; A29-S31 VanDerWaalsContact C-N 3.33Å; S31-G33 PolarHBondContact O-N 2.99Å
32	G	40.9	Very low	51.7	Low	75 Å²	75	63.5 Å²	63.5	77%	0.773	49%	0.485	S	S	*	.			trans	-51.6	124.6	159	0	0	0	0	0	108.5
33	G	47.5	Very low	53.2	Low	80 Å²	80	63.9 Å²	63.9	83%	0.825	48%	0.483	S	S	*	.	S	Bend	trans	-51.3	135	-156.6	0	0	0	0	0	116.2	S31	S31-G33 PolarHBondContact O-N 2.99Å
34	A	38.5	Very low	54.8	Low	78 Å²	78	66.6 Å²	66.6	65%	0.645	49%	0.494	S	S	*	.			trans	-174.2	129.5	157.5	0	0	0	0	0	112.4	N38	A34-N38 PolarHBondContact O-ND2 3.26Å
35	G	44.8	Very low	56.6	Low	59 Å²	59	66.9 Å²	66.9	61%	0.608	49%	0.49	S	S	*	.			trans	85.6	127.8	146.6	0	0	0	0	0	118.7	D37 N38	G35-D37 PolarHBondContact O-N 2.98Å; G35-N38 PolarHBondContact O-N 3.49Å; G35-N38 VanDerWaalsContact O-N 3.12Å
36	S	50.2	Low	58.5	Low	108 Å²	108	71 Å²	71	76%	0.755	49%	0.494	S	S	*	.	H	α-helix	trans	-57.4	-28.2	175.6	55.8	0	0	0	0	114.3	N38 S39	S36-N38 VanDerWaalsContact C-N 3.34Å; S36-N38 PolarHBondContact O-N 2.9Å; S36-S39 VanDerWaalsContact O-CB 3.24Å; S36-S39 WeakPolarHBondContact O-CB 3.49Å; S36-S39 PolarHBondContact O-N 3.35Å
37	D	48.5	Very low	60.2	Low	97 Å²	97	70.6 Å²	70.6	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-74.8	-19.4	178.9	-169.9	17.2	0	0	0	113.4	G35 R132	G35-D37 PolarHBondContact O-N 2.98Å; D37-R132 VanDerWaalsContact C-NH1 3.33Å; D37-R132 VanDerWaalsContact CG-NH1 3.34Å; D37-R132 PolarHBondContact O-NH1 3.48Å; D37-R132 IonicContact OD1-CZ 2.65Å; D37-R132 IonicContact OD1-NH1 3.46Å; D37-R132 IonicContact OD1-NH2 2.74Å; D37-R132 PolarHBondContact OD1-NH2 2.95Å; D37-R132 IonicContact OD2-CZ 4Å; D37-R132 VanDerWaalsContact OD2-CZ 3.28Å; D37-R132 IonicContact OD2-NH1 2.91Å; D37-R132 PolarHBondContact OD2-NH1 2.78Å; D37-R132 IonicContact OD2-NH2 3.7Å; D37-R132 PolarHBondContact OD2-NH2 3.11Å; D37-R132 VanDerWaalsContact OD2-NH2 3.12Å
38	N	57.7	Low	62	Low	56 Å²	56	71.2 Å²	71.2	30%	0.299	49%	0.488	S	S	.	.	H	α-helix	trans	-80.2	-21.6	169.8	-72.9	-38.7	0	0	0	111.8	A34 G35 S36 V40 H42 R132	A34-N38 PolarHBondContact O-ND2 3.26Å; G35-N38 PolarHBondContact O-N 3.49Å; G35-N38 VanDerWaalsContact O-N 3.12Å; S36-N38 VanDerWaalsContact C-N 3.34Å; S36-N38 PolarHBondContact O-N 2.9Å; N38-V40 VanDerWaalsContact C-N 3.32Å; N38-V40 PolarHBondContact O-N 3.09Å; N38-H42 WeakPolarHBondContact O-CB 3.4Å; N38-H42 PolarHBondContact O-CD2 3.12Å; N38-H42 VanDerWaalsContact O-CD2 3.25Å; N38-H42 PolarHBondContact O-N 2.93Å; N38-H42 VanDerWaalsContact O-N 3.07Å; N38-R132 PolarHBondContact OD1-NH1 3Å; N38-R132 VanDerWaalsContact OD1-NH1 3.12Å
39	S	61	Low	64	Low	82 Å²	82	69.6 Å²	69.6	57%	0.573	47%	0.472	S	S	*	.	H	α-helix	trans	-66.5	-35.1	-178.4	-166.6	0	0	0	0	112.2	S36 S43	S36-S39 VanDerWaalsContact O-CB 3.24Å; S36-S39 WeakPolarHBondContact O-CB 3.49Å; S36-S39 PolarHBondContact O-N 3.35Å; S39-S43 VanDerWaalsContact O-CB 3.29Å; S39-S43 WeakPolarHBondContact O-CB 3.12Å; S39-S43 PolarHBondContact O-N 2.77Å
40	V	60.9	Low	65.9	Low	85 Å²	85	68.8 Å²	68.8	52%	0.515	46%	0.46	S	S	.	.	H	α-helix	trans	-72.5	-46.7	-179.5	-177.4	0	0	0	0	110.7	N38 H42 S43 D44	N38-V40 VanDerWaalsContact C-N 3.32Å; N38-V40 PolarHBondContact O-N 3.09Å; V40-H42 VanDerWaalsContact C-N 3.33Å; V40-H42 PolarHBondContact O-N 3.46Å; V40-S43 WeakPolarHBondContact O-CA 3.3Å; V40-S43 VanDerWaalsContact O-CB 3.28Å; V40-S43 WeakPolarHBondContact O-CB 3.36Å; V40-S43 PolarHBondContact O-N 3.22Å; V40-D44 PolarHBondContact O-N 2.88Å
41	E	67.2	Low	67.9	Low	51 Å²	51	69.6 Å²	69.6	24%	0.238	45%	0.454	C	S	.	.	H	α-helix	trans	-64.5	-37	177.7	-65	-175.5	165.7	0	0	112.5	D44 Y45 F125 R132	E41-D44 PolarHBondContact O-N 3.39Å; E41-Y45 WeakPolarHBondContact O-CB 3.43Å; E41-Y45 PolarHBondContact O-N 3.05Å; E41-F125 HydrophobicContact CB-CE2 4.37Å; E41-R132 VanDerWaalsContact CD-NH2 3.29Å; E41-R132 IonicContact OE1-CZ 3.28Å; E41-R132 IonicContact OE1-NE 3.52Å; E41-R132 PolarHBondContact OE1-NE 3.33Å; E41-R132 VanDerWaalsContact OE1-NE 3.14Å; E41-R132 IonicContact OE1-NH1 2.85Å; E41-R132 IonicContact OE1-NH2 3.34Å; E41-R132 PolarHBondContact OE1-NH2 2.81Å; E41-R132 IonicContact OE2-CZ 2.84Å; E41-R132 IonicContact OE2-NE 3.57Å; E41-R132 IonicContact OE2-NH1 3.59Å; E41-R132 IonicContact OE2-NH2 3.12Å
42	H	75.1	Confident	69.9	Low	45 Å²	45	67.5 Å²	67.5	21%	0.208	44%	0.439	C	S	.	.	H	α-helix	trans	-67.9	-35.5	172.5	-90.1	-85.8	0	0	0	112.2	N38 V40 R46 F125	N38-H42 WeakPolarHBondContact O-CB 3.4Å; N38-H42 PolarHBondContact O-CD2 3.12Å; N38-H42 VanDerWaalsContact O-CD2 3.25Å; N38-H42 PolarHBondContact O-N 2.93Å; N38-H42 VanDerWaalsContact O-N 3.07Å; V40-H42 VanDerWaalsContact C-N 3.33Å; V40-H42 PolarHBondContact O-N 3.46Å; H42-R46 WeakPolarHBondContact O-CB 3.16Å; H42-R46 PolarHBondContact O-N 2.99Å; H42-F125 AromaticContact CD2-CZ 3.84Å; H42-F125 AromaticContact CE1-CZ 3.57Å; H42-F125 AromaticContact CG-CZ 3.96Å; H42-F125 AromaticContact ND1-CZ 3.77Å; H42-F125 AromaticContact NE2-CZ 3.59Å
43	S	81.1	Confident	72.3	Confident	71 Å²	71	66.2 Å²	66.2	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-63.1	-45.8	173.2	-176.5	0	0	0	0	111	S39 V40 R46 A47	S39-S43 VanDerWaalsContact O-CB 3.29Å; S39-S43 WeakPolarHBondContact O-CB 3.12Å; S39-S43 PolarHBondContact O-N 2.77Å; V40-S43 WeakPolarHBondContact O-CA 3.3Å; V40-S43 VanDerWaalsContact O-CB 3.28Å; V40-S43 WeakPolarHBondContact O-CB 3.36Å; V40-S43 PolarHBondContact O-N 3.22Å; S43-R46 PolarHBondContact O-N 2.9Å; S43-A47 WeakPolarHBondContact O-CB 3.36Å; S43-A47 PolarHBondContact O-N 3.13Å
44	D	85	Confident	74.4	Confident	85 Å²	85	68.8 Å²	68.8	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-42.2	179.2	-69.4	-17.7	0	0	0	112.3	V40 E41 R46 A47 K48	V40-D44 PolarHBondContact O-N 2.88Å; E41-D44 PolarHBondContact O-N 3.39Å; D44-R46 VanDerWaalsContact C-N 3.34Å; D44-R46 PolarHBondContact O-N 2.97Å; D44-A47 PolarHBondContact O-N 3.5Å; D44-K48 WeakPolarHBondContact O-CB 3.43Å; D44-K48 VanDerWaalsContact O-CG 3.3Å; D44-K48 WeakPolarHBondContact O-CG 3.06Å; D44-K48 PolarHBondContact O-N 3.12Å
45	Y	86.6	Confident	76.9	Confident	29 Å²	29	66.5 Å²	66.5	11%	0.114	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-45.7	173.8	176.5	-96.8	0	0	0	111.3	E41 K48 L49 L121 F125	E41-Y45 WeakPolarHBondContact O-CB 3.43Å; E41-Y45 PolarHBondContact O-N 3.05Å; Y45-K48 PolarHBondContact O-N 3.34Å; Y45-L49 HydrophobicContact CE1-CD2 4.31Å; Y45-L49 WeakPolarHBondContact O-CB 3.36Å; Y45-L49 PolarHBondContact O-N 3.5Å; Y45-L121 HydrophobicContact CD2-CD1 4.13Å; Y45-L121 HydrophobicContact CD2-CD2 4.15Å; Y45-L121 HydrophobicContact CD2-CG 3.78Å; Y45-L121 HydrophobicContact CE2-CD1 4.49Å; Y45-L121 HydrophobicContact CE2-CD2 4.01Å; Y45-L121 HydrophobicContact CE2-CG 3.67Å; Y45-F125 HydrophobicContact CD2-CB 3.71Å; Y45-F125 HydrophobicContact CD2-CD1 4.43Å; Y45-F125 HydrophobicContact CD2-CD2 4.03Å; Y45-F125 AromaticContact CD2-CG 3.79Å; Y45-F125 HydrophobicContact CD2-CG 3.79Å; Y45-F125 HydrophobicContact CE2-CB 4.08Å; Y45-F125 HydrophobicContact CE2-CG 4.35Å; Y45-F125 HydrophobicContact CG-CD2 4.06Å; Y45-F125 HydrophobicContact CG-CE2 4.47Å; Y45-F125 HydrophobicContact CG-CG 4.16Å
46	R	85.9	Confident	79.2	Confident	142 Å²	142	64.1 Å²	64.1	54%	0.536	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-41.6	179.6	-166.8	179.1	-169.2	169.1	3.9	112	G20 A24 H42 S43 D44 L49 S50	G20-R46 PolarHBondContact O-NH2 3.19Å; A24-R46 VanDerWaalsContact CB-CZ 3.44Å; A24-R46 VanDerWaalsContact CB-NH2 3.29Å; H42-R46 WeakPolarHBondContact O-CB 3.16Å; H42-R46 PolarHBondContact O-N 2.99Å; S43-R46 PolarHBondContact O-N 2.9Å; D44-R46 VanDerWaalsContact C-N 3.34Å; D44-R46 PolarHBondContact O-N 2.97Å; R46-L49 PolarHBondContact O-N 3.44Å; R46-S50 WeakPolarHBondContact O-CB 3.47Å; R46-S50 PolarHBondContact O-N 3.05Å
47	A	88.9	Confident	81.1	Confident	58 Å²	58	61.5 Å²	61.5	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-46.6	176.6	0	0	0	0	0	111.3	S43 D44 S50 Q51	S43-A47 WeakPolarHBondContact O-CB 3.36Å; S43-A47 PolarHBondContact O-N 3.13Å; D44-A47 PolarHBondContact O-N 3.5Å; A47-S50 WeakPolarHBondContact O-CB 3.14Å; A47-S50 PolarHBondContact O-N 2.92Å; A47-Q51 PolarHBondContact O-N 2.98Å
48	K	88.5	Confident	83.2	Confident	43 Å²	43	59.6 Å²	59.6	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-40.1	176.9	-70.1	176.6	-167.5	176.6	0	113	D44 Y45 S50 Q51 I52 L121 T276	D44-K48 WeakPolarHBondContact O-CB 3.43Å; D44-K48 VanDerWaalsContact O-CG 3.3Å; D44-K48 WeakPolarHBondContact O-CG 3.06Å; D44-K48 PolarHBondContact O-N 3.12Å; Y45-K48 PolarHBondContact O-N 3.34Å; K48-S50 VanDerWaalsContact C-N 3.28Å; K48-S50 PolarHBondContact O-N 3.43Å; K48-Q51 WeakPolarHBondContact O-CB 3.48Å; K48-Q51 PolarHBondContact O-N 3.41Å; K48-Q51 VanDerWaalsContact O-N 3.17Å; K48-I52 WeakPolarHBondContact O-CG1 3.27Å; K48-I52 PolarHBondContact O-N 2.99Å; K48-L121 HydrophobicContact CB-CD1 3.99Å; K48-L121 HydrophobicContact CB-CD2 3.85Å; K48-L121 HydrophobicContact CD-CD1 3.66Å; K48-T276 VanDerWaalsContact NZ-CB 3.33Å; K48-T276 PolarHBondContact NZ-OG1 2.85Å
49	L	89.4	Confident	84.7	Confident	22 Å²	22	58.5 Å²	58.5	12%	0.115	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-39.4	175.2	-175.1	62.1	0	0	0	111	V12 Y45 R46 Q51 I52 R53 V118 L121	V12-L49 HydrophobicContact CG2-CD1 4.04Å; Y45-L49 HydrophobicContact CE1-CD2 4.31Å; Y45-L49 WeakPolarHBondContact O-CB 3.36Å; Y45-L49 PolarHBondContact O-N 3.5Å; R46-L49 PolarHBondContact O-N 3.44Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 3.45Å; L49-I52 PolarHBondContact O-N 3.06Å; L49-R53 WeakPolarHBondContact O-CB 3.24Å; L49-R53 PolarHBondContact O-N 3.49Å; L49-V118 HydrophobicContact CD1-CG1 4.38Å; L49-V118 HydrophobicContact CD1-CG2 4.16Å; L49-L121 HydrophobicContact CB-CD2 4.2Å
50	S	88.1	Confident	86	Confident	70 Å²	70	55.9 Å²	55.9	49%	0.49	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-39.8	172.7	-167.5	0	0	0	0	112.2	R46 A47 K48 R53 Q54	R46-S50 WeakPolarHBondContact O-CB 3.47Å; R46-S50 PolarHBondContact O-N 3.05Å; A47-S50 WeakPolarHBondContact O-CB 3.14Å; A47-S50 PolarHBondContact O-N 2.92Å; K48-S50 VanDerWaalsContact C-N 3.28Å; K48-S50 PolarHBondContact O-N 3.43Å; S50-R53 WeakPolarHBondContact O-CB 3.34Å; S50-R53 PolarHBondContact O-N 3.25Å; S50-Q54 PolarHBondContact O-N 2.77Å
51	Q	91.6	Very high	87.4	Confident	80 Å²	80	58.2 Å²	58.2	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-44.7	176.5	-170.2	176.8	10	0	0	111.9	A47 K48 L49 R53 Q54 I55 V272	A47-Q51 PolarHBondContact O-N 2.98Å; K48-Q51 WeakPolarHBondContact O-CB 3.48Å; K48-Q51 PolarHBondContact O-N 3.41Å; K48-Q51 VanDerWaalsContact O-N 3.17Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 3.45Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.44Å; Q51-Q54 PolarHBondContact O-N 3.32Å; Q51-I55 HydrophobicContact CG-CD1 4.11Å; Q51-I55 WeakPolarHBondContact O-CG1 3.29Å; Q51-I55 PolarHBondContact O-N 3.14Å; Q51-V272 HydrophobicContact CB-CG1 4.43Å; Q51-V272 HydrophobicContact CG-CG1 4.09Å; Q51-V272 HydrophobicContact CG-CG2 4.28Å
52	I	91.6	Very high	88.5	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-43.3	174.4	-67.9	169.8	0	0	0	110.3	K48 L49 I55 Y56 T114 A117 V118 L121 V272	K48-I52 WeakPolarHBondContact O-CG1 3.27Å; K48-I52 PolarHBondContact O-N 2.99Å; L49-I52 PolarHBondContact O-N 3.06Å; I52-I55 PolarHBondContact O-N 3.47Å; I52-Y56 WeakPolarHBondContact O-CB 3.49Å; I52-Y56 PolarHBondContact O-N 3.41Å; I52-T114 HydrophobicContact CG2-CG2 3.86Å; I52-A117 HydrophobicContact CD1-CB 4.14Å; I52-A117 HydrophobicContact CG2-CB 4.46Å; I52-V118 HydrophobicContact CG2-CG2 3.98Å; I52-L121 HydrophobicContact CD1-CB 4.4Å; I52-L121 HydrophobicContact CD1-CD2 3.79Å; I52-V272 HydrophobicContact CG1-CG1 4.47Å
53	R	90.1	Very high	89.2	Confident	49 Å²	49	60.3 Å²	60.3	19%	0.185	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-46	176.2	-176.3	-173.3	-135.3	-101.5	-13	112.3	G11 E16 L49 S50 Q51 Y56 H57	G11-R53 PolarHBondContact O-NE 2.85Å; G11-R53 PolarHBondContact O-NH2 3.43Å; E16-R53 IonicContact OE1-CZ 3.01Å; E16-R53 IonicContact OE1-NH1 2.75Å; E16-R53 PolarHBondContact OE1-NH1 2.99Å; E16-R53 IonicContact OE1-NH2 3.89Å; E16-R53 IonicContact OE2-NH1 3.61Å; L49-R53 WeakPolarHBondContact O-CB 3.24Å; L49-R53 PolarHBondContact O-N 3.49Å; S50-R53 WeakPolarHBondContact O-CB 3.34Å; S50-R53 PolarHBondContact O-N 3.25Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.44Å; R53-Y56 PolarHBondContact O-N 3.46Å; R53-H57 PolarHBondContact O-N 3.45Å; R53-H57 VanDerWaalsContact O-N 3.15Å; R53-H57 PolarHBondContact O-ND1 3.28Å
54	Q	91.3	Very high	89.6	Confident	133 Å²	133	61.5 Å²	61.5	62%	0.621	30%	0.301	S	S	*	.	H	α-helix	trans	-63.6	-44.2	179.4	-174.9	175.6	3.1	0	0	111.4	S50 Q51 Y56 H57 T58	S50-Q54 PolarHBondContact O-N 2.77Å; Q51-Q54 PolarHBondContact O-N 3.32Å; Q54-Y56 PolarHBondContact O-N 3.27Å; Q54-H57 PolarHBondContact O-N 3.42Å; Q54-T58 VanDerWaalsContact O-CB 3.32Å; Q54-T58 WeakPolarHBondContact O-CB 3.5Å; Q54-T58 PolarHBondContact O-N 3.15Å; Q54-T58 PolarHBondContact O-OG1 3.37Å
55	I	91.9	Very high	89.9	Confident	31 Å²	31	62.7 Å²	62.7	16%	0.159	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-46	177.5	-67.7	165.6	0	0	0	110.3	Q51 I52 H57 T58 E59 L269 V272	Q51-I55 HydrophobicContact CG-CD1 4.11Å; Q51-I55 WeakPolarHBondContact O-CG1 3.29Å; Q51-I55 PolarHBondContact O-N 3.14Å; I52-I55 PolarHBondContact O-N 3.47Å; I55-H57 PolarHBondContact O-N 3.09Å; I55-T58 PolarHBondContact O-N 3.48Å; I55-E59 HydrophobicContact CG2-CG 4.15Å; I55-E59 WeakPolarHBondContact O-CB 3.43Å; I55-E59 WeakPolarHBondContact O-CG 3.4Å; I55-E59 PolarHBondContact O-N 2.85Å; I55-L269 HydrophobicContact CB-CD2 4.18Å; I55-L269 HydrophobicContact CD1-CD2 4.3Å; I55-L269 HydrophobicContact CG2-CD2 3.67Å; I55-L269 HydrophobicContact CG2-CG 4.17Å; I55-V272 HydrophobicContact CD1-CG2 3.66Å
56	Y	92.8	Very high	90	Very high	8 Å²	8	63.4 Å²	63.4	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-56.4	-50.3	178.8	173	-111.2	0	0	0	112.5	L7 V12 A13 I52 R53 Q54 L60 L110 K111 T114	L7-Y56 HydrophobicContact CD1-CE1 4.4Å; L7-Y56 HydrophobicContact CD1-CE2 4.04Å; V12-Y56 HydrophobicContact CG1-CD1 3.89Å; V12-Y56 HydrophobicContact CG1-CG 4.07Å; V12-Y56 WeakPolarHBondContact O-CD1 3.17Å; A13-Y56 HydrophobicContact CB-CE1 4.06Å; I52-Y56 WeakPolarHBondContact O-CB 3.49Å; I52-Y56 PolarHBondContact O-N 3.41Å; R53-Y56 PolarHBondContact O-N 3.46Å; Q54-Y56 PolarHBondContact O-N 3.27Å; Y56-L60 HydrophobicContact CE1-CD2 4.36Å; Y56-L60 VanDerWaalsContact O-CB 3.23Å; Y56-L60 WeakPolarHBondContact O-CB 3.39Å; Y56-L60 PolarHBondContact O-N 3.36Å; Y56-L110 HydrophobicContact CD2-CD2 4.3Å; Y56-L110 HydrophobicContact CD2-CG 4.07Å; Y56-L110 HydrophobicContact CE2-CD2 4.23Å; Y56-L110 HydrophobicContact CE2-CG 4.14Å; Y56-K111 HydrophobicContact CE2-CG 4Å; Y56-K111 VanDerWaalsContact OH-CE 3.3Å; Y56-K111 WeakPolarHBondContact OH-CE 3.42Å; Y56-T114 HydrophobicContact CD2-CG2 4.01Å; Y56-T114 WeakPolarHBondContact CD2-OG1 3.37Å; Y56-T114 HydrophobicContact CG-CG2 4.02Å
57	H	90.2	Very high	90.3	Very high	54 Å²	54	57.2 Å²	57.2	25%	0.25	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-41.4	-179.5	-70	89.2	0	0	0	112.4	V12 R53 Q54 I55 E59 L60 E61	V12-H57 PolarHBondContact O-CE1 2.81Å; R53-H57 PolarHBondContact O-N 3.45Å; R53-H57 VanDerWaalsContact O-N 3.15Å; R53-H57 PolarHBondContact O-ND1 3.28Å; Q54-H57 PolarHBondContact O-N 3.42Å; I55-H57 PolarHBondContact O-N 3.09Å; H57-E59 VanDerWaalsContact C-N 3.34Å; H57-E59 PolarHBondContact O-N 2.81Å; H57-L60 PolarHBondContact O-N 3.28Å; H57-E61 WeakPolarHBondContact O-CB 3.37Å; H57-E61 PolarHBondContact O-N 3.34Å
58	T	92	Very high	90.4	Very high	56 Å²	56	59.3 Å²	59.3	34%	0.344	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-45	178	-55.9	0	0	0	0	111.1	Q54 I55 K62	Q54-T58 VanDerWaalsContact O-CB 3.32Å; Q54-T58 WeakPolarHBondContact O-CB 3.5Å; Q54-T58 PolarHBondContact O-N 3.15Å; Q54-T58 PolarHBondContact O-OG1 3.37Å; I55-T58 PolarHBondContact O-N 3.48Å; T58-K62 WeakPolarHBondContact O-CG 3.41Å; T58-K62 PolarHBondContact O-N 3.35Å
59	E	88.8	Confident	90.7	Very high	33 Å²	33	62.7 Å²	62.7	15%	0.154	31%	0.314	C	S	.	.	H	α-helix	trans	-72.3	-34.3	179.1	-68.5	-59.6	116.2	0	0	112	I55 H57 K62 Y63 L110 Q265	I55-E59 HydrophobicContact CG2-CG 4.15Å; I55-E59 WeakPolarHBondContact O-CB 3.43Å; I55-E59 WeakPolarHBondContact O-CG 3.4Å; I55-E59 PolarHBondContact O-N 2.85Å; H57-E59 VanDerWaalsContact C-N 3.34Å; H57-E59 PolarHBondContact O-N 2.81Å; E59-K62 IonicContact OE1-NZ 3.81Å; E59-K62 PolarHBondContact OE1-NZ 2.86Å; E59-Y63 WeakPolarHBondContact O-CB 3.34Å; E59-Y63 PolarHBondContact O-N 2.98Å; E59-L110 HydrophobicContact CB-CD1 3.94Å; E59-L110 HydrophobicContact CB-CD2 4.12Å; E59-Q265 WeakPolarHBondContact OE2-CG 3.44Å; E59-Q265 PolarHBondContact OE2-NE2 2.98Å
60	L	89.1	Confident	90.9	Very high	27 Å²	27	66.5 Å²	66.5	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-45.9	174.5	-176.8	65.2	0	0	0	111.2	Y56 H57 Y63 E64 Q107 L110	Y56-L60 HydrophobicContact CE1-CD2 4.36Å; Y56-L60 VanDerWaalsContact O-CB 3.23Å; Y56-L60 WeakPolarHBondContact O-CB 3.39Å; Y56-L60 PolarHBondContact O-N 3.36Å; H57-L60 PolarHBondContact O-N 3.28Å; L60-Y63 HydrophobicContact CD1-CD1 4.37Å; L60-Y63 WeakPolarHBondContact O-CB 3.48Å; L60-Y63 PolarHBondContact O-N 3.26Å; L60-E64 WeakPolarHBondContact O-CG 3.38Å; L60-E64 PolarHBondContact O-N 3.23Å; L60-Q107 HydrophobicContact CD1-CG 4.12Å; L60-L110 HydrophobicContact CB-CD2 4.14Å; L60-L110 HydrophobicContact CD1-CD2 4.41Å
61	E	90.2	Very high	91.1	Very high	134 Å²	134	64.1 Å²	64.1	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-61.8	-48	178.8	-176.3	175.7	-156.3	0	0	111.8	H57 Y63 E64 Q65	H57-E61 WeakPolarHBondContact O-CB 3.37Å; H57-E61 PolarHBondContact O-N 3.34Å; E61-Y63 PolarHBondContact O-N 3.46Å; E61-E64 PolarHBondContact O-N 2.86Å; E61-Q65 WeakPolarHBondContact O-CB 3.35Å; E61-Q65 PolarHBondContact O-N 3.48Å
62	K	89.8	Confident	91.2	Very high	113 Å²	113	64 Å²	64	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-56	-42.4	174.8	-72.8	174.1	-172.4	168.8	0	111.9	T58 E59 A66	T58-K62 WeakPolarHBondContact O-CG 3.41Å; T58-K62 PolarHBondContact O-N 3.35Å; E59-K62 IonicContact OE1-NZ 3.81Å; E59-K62 PolarHBondContact OE1-NZ 2.86Å; K62-A66 WeakPolarHBondContact O-CB 3.14Å; K62-A66 PolarHBondContact O-N 2.74Å
63	Y	90	Very high	91.3	Very high	27 Å²	27	70 Å²	70	11%	0.106	34%	0.344	C	S	.	.	H	α-helix	trans	-68.3	-42.6	-179.8	161.4	-86.6	0	0	0	112	E59 L60 E61 Q65 A66 C67 F103 I106 Q107	E59-Y63 WeakPolarHBondContact O-CB 3.34Å; E59-Y63 PolarHBondContact O-N 2.98Å; L60-Y63 HydrophobicContact CD1-CD1 4.37Å; L60-Y63 WeakPolarHBondContact O-CB 3.48Å; L60-Y63 PolarHBondContact O-N 3.26Å; E61-Y63 PolarHBondContact O-N 3.46Å; Y63-Q65 VanDerWaalsContact C-N 3.34Å; Y63-A66 PolarHBondContact O-N 2.97Å; Y63-C67 WeakPolarHBondContact O-CB 3.18Å; Y63-C67 PolarHBondContact O-N 3.42Å; Y63-F103 HydrophobicContact CD2-CD1 4.12Å; Y63-F103 HydrophobicContact CD2-CE1 4.45Å; Y63-F103 HydrophobicContact CE2-CB 4.28Å; Y63-F103 AromaticContact CE2-CD1 3.35Å; Y63-F103 HydrophobicContact CE2-CD1 3.35Å; Y63-F103 HydrophobicContact CE2-CE1 4.08Å; Y63-F103 HydrophobicContact CE2-CG 4.24Å; Y63-F103 AromaticContact CZ-CD1 3.58Å; Y63-F103 WeakPolarHBondContact OH-CA 3.36Å; Y63-F103 WeakPolarHBondContact OH-CB 3.44Å; Y63-F103 PolarHBondContact OH-O 3.03Å; Y63-I106 HydrophobicContact CD2-CB 4.3Å; Y63-I106 HydrophobicContact CD2-CG2 3.7Å; Y63-I106 HydrophobicContact CE2-CB 3.7Å; Y63-I106 HydrophobicContact CE2-CG2 3.63Å; Y63-Q107 HydrophobicContact CE1-CB 3.87Å; Y63-Q107 HydrophobicContact CE1-CG 4.19Å
64	E	88.9	Confident	91.3	Very high	96 Å²	96	68.7 Å²	68.7	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-42.7	175.8	-75.9	-179.4	171.7	0	0	111	L60 E61 C67 N68	L60-E64 WeakPolarHBondContact O-CG 3.38Å; L60-E64 PolarHBondContact O-N 3.23Å; E61-E64 PolarHBondContact O-N 2.86Å; E64-C67 WeakPolarHBondContact O-CB 3.32Å; E64-C67 PolarHBondContact O-N 2.82Å; E64-N68 VanDerWaalsContact O-CG 3.3Å; E64-N68 PolarHBondContact O-N 3.25Å; E64-N68 PolarHBondContact O-ND2 2.99Å
65	Q	92.4	Very high	91.3	Very high	110 Å²	110	65.4 Å²	65.4	51%	0.514	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-49.4	174.7	-174.1	174.9	1.1	0	0	111.5	E61 Y63 C67 N68 E69	E61-Q65 WeakPolarHBondContact O-CB 3.35Å; E61-Q65 PolarHBondContact O-N 3.48Å; Y63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-C67 VanDerWaalsContact C-N 3.28Å; Q65-C67 PolarHBondContact O-N 3Å; Q65-N68 PolarHBondContact O-N 3.12Å; Q65-E69 HydrophobicContact CG-CG 4.47Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.36Å; Q65-E69 PolarHBondContact NE2-OE1 3.09Å; Q65-E69 WeakPolarHBondContact O-CG 3.26Å; Q65-E69 PolarHBondContact O-N 3.02Å
66	A	89.2	Confident	91.3	Very high	44 Å²	44	68.6 Å²	68.6	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-36.7	177.6	0	0	0	0	0	112.6	K62 Y63 F70	K62-A66 WeakPolarHBondContact O-CB 3.14Å; K62-A66 PolarHBondContact O-N 2.74Å; Y63-A66 PolarHBondContact O-N 2.97Å; A66-F70 WeakPolarHBondContact O-CB 3.38Å; A66-F70 PolarHBondContact O-N 3.44Å
67	C	91	Very high	91.2	Very high	13 Å²	13	72.4 Å²	72.4	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-47	174.9	-171.3	0	0	0	0	111.7	Y63 E64 Q65 T71 F103	Y63-C67 WeakPolarHBondContact O-CB 3.18Å; Y63-C67 PolarHBondContact O-N 3.42Å; E64-C67 WeakPolarHBondContact O-CB 3.32Å; E64-C67 PolarHBondContact O-N 2.82Å; Q65-C67 VanDerWaalsContact C-N 3.28Å; Q65-C67 PolarHBondContact O-N 3Å; C67-T71 VanDerWaalsContact O-CB 3.25Å; C67-T71 WeakPolarHBondContact O-CB 3.46Å; C67-T71 PolarHBondContact O-N 2.93Å; C67-T71 PolarHBondContact O-OG1 3.02Å; C67-F103 HydrophobicContact CB-CD1 3.38Å; C67-F103 HydrophobicContact CB-CE1 3.5Å; C67-F103 HydrophobicContact CB-CG 4Å; C67-F103 HydrophobicContact CB-CZ 4.17Å; C67-F103 VanDerWaalsContact SG-CD1 3.57Å; C67-F103 VanDerWaalsContact SG-CG 3.51Å
68	N	91.9	Very high	91.2	Very high	102 Å²	102	70.6 Å²	70.6	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-45.5	180	-70.4	-29.1	0	0	0	111.6	E64 Q65 T72	E64-N68 VanDerWaalsContact O-CG 3.3Å; E64-N68 PolarHBondContact O-N 3.25Å; E64-N68 PolarHBondContact O-ND2 2.99Å; Q65-N68 PolarHBondContact O-N 3.12Å; N68-T72 VanDerWaalsContact O-CB 3.29Å; N68-T72 WeakPolarHBondContact O-CB 3.35Å; N68-T72 PolarHBondContact O-N 3.35Å; N68-T72 PolarHBondContact O-OG1 2.84Å
69	E	93.8	Very high	90.9	Very high	114 Å²	114	76.1 Å²	76.1	53%	0.533	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-48.3	177.8	-73.4	175.9	-170.4	0	0	111.4	Q65 T72 H73	Q65-E69 HydrophobicContact CG-CG 4.47Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.36Å; Q65-E69 PolarHBondContact NE2-OE1 3.09Å; Q65-E69 WeakPolarHBondContact O-CG 3.26Å; Q65-E69 PolarHBondContact O-N 3.02Å; E69-T72 PolarHBondContact O-N 3.48Å; E69-H73 WeakPolarHBondContact O-CB 3.36Å; E69-H73 PolarHBondContact O-N 3.24Å
70	F	93.8	Very high	90.9	Very high	101 Å²	101	79.4 Å²	79.4	44%	0.443	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-44.6	179.7	-173.4	-100.6	0	0	0	112.1	A66 T72 H73 V74 I99 F103	A66-F70 WeakPolarHBondContact O-CB 3.38Å; A66-F70 PolarHBondContact O-N 3.44Å; F70-T72 VanDerWaalsContact C-N 3.33Å; F70-T72 PolarHBondContact O-N 3.14Å; F70-H73 PolarHBondContact O-N 3.07Å; F70-V74 HydrophobicContact CD1-CG2 4.23Å; F70-V74 HydrophobicContact CE1-CG2 3.84Å; F70-V74 HydrophobicContact CE2-CG2 4.36Å; F70-V74 HydrophobicContact CZ-CG2 3.91Å; F70-V74 WeakPolarHBondContact O-CG2 3.28Å; F70-V74 PolarHBondContact O-N 3.49Å; F70-I99 HydrophobicContact CD1-CD1 3.94Å; F70-I99 HydrophobicContact CD1-CG1 4.22Å; F70-I99 HydrophobicContact CD1-CG2 3.75Å; F70-I99 HydrophobicContact CE1-CD1 3.65Å; F70-I99 HydrophobicContact CE1-CG1 3.79Å; F70-I99 HydrophobicContact CE1-CG2 4.12Å; F70-F103 HydrophobicContact CB-CE2 4.36Å; F70-F103 HydrophobicContact CB-CZ 4.17Å; F70-F103 AromaticContact CD1-CE2 3.86Å; F70-F103 HydrophobicContact CD1-CE2 3.86Å; F70-F103 HydrophobicContact CD1-CZ 4.44Å; F70-F103 HydrophobicContact CG-CE2 4.34Å; F70-F103 HydrophobicContact CG-CZ 4.48Å
71	T	92.3	Very high	90.8	Very high	20 Å²	20	80.8 Å²	80.8	12%	0.123	39%	0.393	C	S	.	.	H	α-helix	trans	-61.8	-43.4	177.4	-57.4	0	0	0	0	110.8	C67 V74 M75 V96	C67-T71 VanDerWaalsContact O-CB 3.25Å; C67-T71 WeakPolarHBondContact O-CB 3.46Å; C67-T71 PolarHBondContact O-N 2.93Å; C67-T71 PolarHBondContact O-OG1 3.02Å; T71-V74 PolarHBondContact O-N 3.39Å; T71-M75 HydrophobicContact CG2-CG 4.41Å; T71-M75 WeakPolarHBondContact O-CB 3.49Å; T71-M75 VanDerWaalsContact O-CG 3.23Å; T71-M75 WeakPolarHBondContact O-CG 3.45Å; T71-M75 PolarHBondContact O-N 3.32Å; T71-V96 HydrophobicContact CG2-CG1 4.29Å
72	T	93.6	Very high	90.6	Very high	78 Å²	78	76.9 Å²	76.9	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-44.7	176.8	-59.7	0	0	0	0	111.3	N68 E69 F70 M75 N76	N68-T72 VanDerWaalsContact O-CB 3.29Å; N68-T72 WeakPolarHBondContact O-CB 3.35Å; N68-T72 PolarHBondContact O-N 3.35Å; N68-T72 PolarHBondContact O-OG1 2.84Å; E69-T72 PolarHBondContact O-N 3.48Å; F70-T72 VanDerWaalsContact C-N 3.33Å; F70-T72 PolarHBondContact O-N 3.14Å; T72-M75 PolarHBondContact O-N 3.47Å; T72-N76 WeakPolarHBondContact O-CB 3.27Å; T72-N76 VanDerWaalsContact O-CG 3.26Å; T72-N76 PolarHBondContact O-N 2.89Å; T72-N76 PolarHBondContact O-ND2 3.18Å
73	H	93.5	Very high	90.5	Very high	127 Å²	127	80.4 Å²	80.4	59%	0.588	39%	0.39	S	S	*	.	H	α-helix	trans	-61.3	-47.2	178.3	-173.2	72.2	0	0	0	111.9	E69 F70 M75 N76 L77	E69-H73 WeakPolarHBondContact O-CB 3.36Å; E69-H73 PolarHBondContact O-N 3.24Å; F70-H73 PolarHBondContact O-N 3.07Å; H73-M75 PolarHBondContact O-N 3.39Å; H73-N76 PolarHBondContact O-N 2.75Å; H73-L77 WeakPolarHBondContact O-CB 3.38Å; H73-L77 PolarHBondContact O-N 3.14Å
74	V	92	Very high	90.5	Very high	22 Å²	22	84.5 Å²	84.5	13%	0.133	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-41.8	177.3	172.6	0	0	0	0	111.3	F70 T71 N76 L77 L78 I99	F70-V74 HydrophobicContact CD1-CG2 4.23Å; F70-V74 HydrophobicContact CE1-CG2 3.84Å; F70-V74 HydrophobicContact CE2-CG2 4.36Å; F70-V74 HydrophobicContact CZ-CG2 3.91Å; F70-V74 WeakPolarHBondContact O-CG2 3.28Å; F70-V74 PolarHBondContact O-N 3.49Å; T71-V74 PolarHBondContact O-N 3.39Å; V74-N76 PolarHBondContact O-N 3.14Å; V74-L77 PolarHBondContact O-N 3.23Å; V74-L78 HydrophobicContact CG1-CD1 3.73Å; V74-L78 HydrophobicContact CG1-CG 4.18Å; V74-L78 WeakPolarHBondContact O-CB 3.45Å; V74-L78 VanDerWaalsContact O-CG 3.27Å; V74-L78 WeakPolarHBondContact O-CG 3.46Å; V74-L78 PolarHBondContact O-N 3.04Å; V74-I99 HydrophobicContact CB-CD1 3.86Å; V74-I99 HydrophobicContact CG1-CD1 3.84Å; V74-I99 HydrophobicContact CG2-CD1 3.81Å
75	M	89.4	Confident	90.4	Very high	64 Å²	64	86.4 Å²	86.4	32%	0.315	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-42.8	177.4	-76.4	-66.4	-110.8	0	0	112.5	T71 T72 H73 L78 R79 I92 V96	T71-M75 HydrophobicContact CG2-CG 4.41Å; T71-M75 WeakPolarHBondContact O-CB 3.49Å; T71-M75 VanDerWaalsContact O-CG 3.23Å; T71-M75 WeakPolarHBondContact O-CG 3.45Å; T71-M75 PolarHBondContact O-N 3.32Å; T72-M75 PolarHBondContact O-N 3.47Å; H73-M75 PolarHBondContact O-N 3.39Å; M75-L78 PolarHBondContact O-N 3.07Å; M75-R79 WeakPolarHBondContact O-CB 3.46Å; M75-R79 WeakPolarHBondContact O-CG 3.44Å; M75-R79 PolarHBondContact O-N 3.01Å; M75-I92 HydrophobicContact CE-CG2 4.2Å; M75-I92 HydrophobicContact SD-CG2 3.49Å; M75-I92 WeakPolarHBondContact SD-CG2 3.46Å; M75-V96 HydrophobicContact CE-CG2 4.02Å; M75-V96 HydrophobicContact CG-CG2 4.04Å; M75-V96 HydrophobicContact SD-CG2 3.42Å; M75-V96 WeakPolarHBondContact SD-CG2 3.4Å
76	N	92.3	Very high	89.8	Confident	97 Å²	97	87.7 Å²	87.7	52%	0.519	44%	0.439	S	S	.	.	H	α-helix	trans	-64	-43.4	175.8	-71.8	-19.2	0	0	0	111.4	T72 H73 V74 R79 E80	T72-N76 WeakPolarHBondContact O-CB 3.27Å; T72-N76 VanDerWaalsContact O-CG 3.26Å; T72-N76 PolarHBondContact O-N 2.89Å; T72-N76 PolarHBondContact O-ND2 3.18Å; H73-N76 PolarHBondContact O-N 2.75Å; V74-N76 PolarHBondContact O-N 3.14Å; N76-R79 PolarHBondContact O-N 3.34Å; N76-E80 PolarHBondContact O-N 2.75Å
77	L	91.3	Very high	89.6	Confident	89 Å²	89	87.1 Å²	87.1	47%	0.466	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-46.9	177	-179.4	64	0	0	0	111.8	H73 V74 R79 E80 Q81	H73-L77 WeakPolarHBondContact O-CB 3.38Å; H73-L77 PolarHBondContact O-N 3.14Å; V74-L77 PolarHBondContact O-N 3.23Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.31Å; L77-E80 PolarHBondContact O-N 2.97Å; L77-Q81 HydrophobicContact CD1-CG 4.32Å; L77-Q81 HydrophobicContact CG-CG 4.49Å; L77-Q81 WeakPolarHBondContact O-CB 3.43Å; L77-Q81 VanDerWaalsContact O-CG 3.23Å; L77-Q81 WeakPolarHBondContact O-CG 3.14Å; L77-Q81 PolarHBondContact O-N 3.24Å
78	L	89.1	Confident	89.4	Confident	15 Å²	15	89.3 Å²	89.3	8%	0.079	45%	0.446	C	S	.	.	H	α-helix	trans	-64.9	-37.8	179.2	-70.3	173.3	0	0	0	112.1	V74 M75 S82 I92 M95	V74-L78 HydrophobicContact CG1-CD1 3.73Å; V74-L78 HydrophobicContact CG1-CG 4.18Å; V74-L78 WeakPolarHBondContact O-CB 3.45Å; V74-L78 VanDerWaalsContact O-CG 3.27Å; V74-L78 WeakPolarHBondContact O-CG 3.46Å; V74-L78 PolarHBondContact O-N 3.04Å; M75-L78 PolarHBondContact O-N 3.07Å; L78-S82 WeakPolarHBondContact O-CB 3.32Å; L78-S82 PolarHBondContact O-N 3.24Å; L78-I92 HydrophobicContact CB-CG1 4.3Å; L78-I92 HydrophobicContact CD1-CB 4.4Å; L78-I92 HydrophobicContact CD1-CG1 4.33Å; L78-I92 HydrophobicContact CD1-CG2 4.05Å; L78-M95 HydrophobicContact CD1-CB 4.12Å; L78-M95 HydrophobicContact CD1-SD 3.88Å; L78-M95 HydrophobicContact CD2-CE 4.45Å; L78-M95 HydrophobicContact CD2-SD 3.67Å; L78-M95 HydrophobicContact CG-SD 4.35Å
79	R	87.3	Confident	89.1	Confident	172 Å²	172	88.7 Å²	88.7	65%	0.649	45%	0.447	S	S	*	.	H	α-helix	trans	-61.9	-46.7	172.7	-78.4	179.1	175.5	-138.5	0.4	111.7	M75 N76 L77 S82	M75-R79 WeakPolarHBondContact O-CB 3.46Å; M75-R79 WeakPolarHBondContact O-CG 3.44Å; M75-R79 PolarHBondContact O-N 3.01Å; N76-R79 PolarHBondContact O-N 3.34Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.31Å; R79-S82 PolarHBondContact O-N 3.49Å; R79-S82 PolarHBondContact O-OG 2.61Å
80	E	88.9	Confident	88.7	Confident	102 Å²	102	90.4 Å²	90.4	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-65.5	-41.6	179.8	-167.9	57.6	-149.9	0	0	111.7	N76 L77 S82 R83	N76-E80 PolarHBondContact O-N 2.75Å; L77-E80 PolarHBondContact O-N 2.97Å; E80-S82 VanDerWaalsContact C-N 3.27Å; E80-S82 PolarHBondContact O-N 3.49Å; E80-R83 WeakPolarHBondContact O-CB 3.35Å; E80-R83 PolarHBondContact O-N 3.49Å; E80-R83 IonicContact OE1-NH1 2.72Å; E80-R83 PolarHBondContact OE1-NH1 2.81Å; E80-R83 WeakPolarHBondContact OE2-CD 3.41Å; E80-R83 IonicContact OE2-NH1 3.24Å; E80-R83 PolarHBondContact OE2-NH1 3.44Å; E80-R83 VanDerWaalsContact OE2-NH1 3.1Å
81	Q	86.1	Confident	88.4	Confident	57 Å²	57	89.6 Å²	89.6	27%	0.266	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-31.1	175.2	-68.1	-68.2	-58.6	0	0	112.8	L77 R83 T84 R85 I87	L77-Q81 HydrophobicContact CD1-CG 4.32Å; L77-Q81 HydrophobicContact CG-CG 4.49Å; L77-Q81 WeakPolarHBondContact O-CB 3.43Å; L77-Q81 VanDerWaalsContact O-CG 3.23Å; L77-Q81 WeakPolarHBondContact O-CG 3.14Å; L77-Q81 PolarHBondContact O-N 3.24Å; Q81-R83 PolarHBondContact O-N 2.95Å; Q81-R83 VanDerWaalsContact O-N 3.15Å; Q81-T84 PolarHBondContact O-N 3.27Å; Q81-T84 PolarHBondContact O-OG1 2.92Å; Q81-R85 VanDerWaalsContact O-CG 3.27Å; Q81-R85 WeakPolarHBondContact O-CG 3.43Å; Q81-R85 PolarHBondContact O-N 2.72Å; Q81-I87 HydrophobicContact CB-CD1 3.65Å
82	S	86.8	Confident	88.1	Confident	52 Å²	52	90.3 Å²	90.3	36%	0.364	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.4	178.2	76.5	0	0	0	0	113.7	L78 R79 E80 R85	L78-S82 WeakPolarHBondContact O-CB 3.32Å; L78-S82 PolarHBondContact O-N 3.24Å; R79-S82 PolarHBondContact O-N 3.49Å; R79-S82 PolarHBondContact O-OG 2.61Å; E80-S82 VanDerWaalsContact C-N 3.27Å; E80-S82 PolarHBondContact O-N 3.49Å; S82-R85 CarbonylContact C-O 3.04Å; S82-R85 VanDerWaalsContact CA-O 3.29Å; S82-R85 WeakPolarHBondContact CA-O 3.5Å; S82-R85 VanDerWaalsContact O-O 3.07Å
83	R	88	Confident	87.9	Confident	186 Å²	186	93 Å²	93	70%	0.702	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-27.2	178.7	-57	173.7	74.1	168.8	2.7	112.9	E80 Q81	E80-R83 WeakPolarHBondContact O-CB 3.35Å; E80-R83 PolarHBondContact O-N 3.49Å; E80-R83 IonicContact OE1-NH1 2.72Å; E80-R83 PolarHBondContact OE1-NH1 2.81Å; E80-R83 WeakPolarHBondContact OE2-CD 3.41Å; E80-R83 IonicContact OE2-NH1 3.24Å; E80-R83 PolarHBondContact OE2-NH1 3.44Å; E80-R83 VanDerWaalsContact OE2-NH1 3.1Å; Q81-R83 PolarHBondContact O-N 2.95Å; Q81-R83 VanDerWaalsContact O-N 3.15Å
84	T	89.8	Confident	87.8	Confident	113 Å²	113	93.7 Å²	93.7	69%	0.693	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-18.5	-176.7	56.4	0	0	0	0	112.7	Q81	Q81-T84 PolarHBondContact O-N 3.27Å; Q81-T84 PolarHBondContact O-OG1 2.92Å
85	R	86.4	Confident	87.6	Confident	136 Å²	136	96 Å²	96	51%	0.513	47%	0.468	S	S	.	.	S	Bend	trans	-146.5	141	175.3	55	-179.4	-174.3	-142.4	2.8	110.5	Q81 S82 I87	Q81-R85 VanDerWaalsContact O-CG 3.27Å; Q81-R85 WeakPolarHBondContact O-CG 3.43Å; Q81-R85 PolarHBondContact O-N 2.72Å; S82-R85 CarbonylContact C-O 3.04Å; S82-R85 VanDerWaalsContact CA-O 3.29Å; S82-R85 WeakPolarHBondContact CA-O 3.5Å; S82-R85 VanDerWaalsContact O-O 3.07Å; R85-I87 HydrophobicContact CG-CG1 4.28Å; R85-I87 PolarHBondContact O-N 3.38Å; R85-I87 VanDerWaalsContact O-N 3.13Å
86	P	80.1	Confident	87.6	Confident	137 Å²	137	94 Å²	94	89%	0.89	46%	0.459	S	S	*	.			trans	-65.1	116.5	177.3	23	-28.9	0	0	0	110.4
87	I	84.3	Confident	87.5	Confident	32 Å²	32	93 Å²	93	16%	0.164	46%	0.46	C	S	.	.			trans	-109.8	128.1	174	-61	177.2	0	0	0	108	Q81 R85 E91 I92	Q81-I87 HydrophobicContact CB-CD1 3.65Å; R85-I87 HydrophobicContact CG-CG1 4.28Å; R85-I87 PolarHBondContact O-N 3.38Å; R85-I87 VanDerWaalsContact O-N 3.13Å; I87-E91 HydrophobicContact CG2-CB 4.45Å; I87-I92 HydrophobicContact CG2-CD1 4.28Å; I87-I92 HydrophobicContact CG2-CG1 3.89Å
88	S	87.6	Confident	87.6	Confident	60 Å²	60	93.2 Å²	93.2	42%	0.42	46%	0.46	S	S	.	.			trans	-70.4	136.9	177.5	-173.6	0	0	0	0	110.8	K90 E91 I92	S88-K90 PolarHBondContact O-N 3.01Å; S88-K90 VanDerWaalsContact O-N 3.13Å; S88-E91 WeakPolarHBondContact O-CB 3.47Å; S88-E91 PolarHBondContact O-N 3Å; S88-I92 PolarHBondContact O-N 3.31Å
89	P	83.9	Confident	87.6	Confident	89 Å²	89	93.2 Å²	93.2	58%	0.578	46%	0.46	S	S	*	.	H	α-helix	trans	-52.6	-35.6	172.9	-27.8	35.2	0	0	0	113.3	E91 I92 E93	P89-E91 PolarHBondContact O-N 3.12Å; P89-I92 PolarHBondContact O-N 3.03Å; P89-E93 WeakPolarHBondContact O-CG 3.44Å; P89-E93 PolarHBondContact O-N 3.38Å
90	K	87.3	Confident	87.7	Confident	150 Å²	150	89.3 Å²	89.3	65%	0.652	45%	0.449	S	S	*	.	H	α-helix	trans	-62.3	-27.9	176.6	-66.5	-174.7	177	-179.2	0	113.4	S88 R94	S88-K90 PolarHBondContact O-N 3.01Å; S88-K90 VanDerWaalsContact O-N 3.13Å; K90-R94 WeakPolarHBondContact O-CB 3.48Å; K90-R94 PolarHBondContact O-N 3.19Å; K90-R94 VanDerWaalsContact O-N 3.13Å
91	E	86.3	Confident	87.9	Confident	84 Å²	84	94.2 Å²	94.2	39%	0.393	46%	0.463	S	S	.	.	H	α-helix	trans	-77.3	-38.5	177.5	-176.8	151.5	-154	0	0	111.8	I87 S88 P89 R94 M95	I87-E91 HydrophobicContact CG2-CB 4.45Å; S88-E91 WeakPolarHBondContact O-CB 3.47Å; S88-E91 PolarHBondContact O-N 3Å; P89-E91 PolarHBondContact O-N 3.12Å; E91-R94 WeakPolarHBondContact O-CB 3.3Å; E91-R94 PolarHBondContact O-N 2.74Å; E91-M95 HydrophobicContact CG-CE 4.23Å; E91-M95 WeakPolarHBondContact O-CG 3.48Å; E91-M95 PolarHBondContact O-N 2.67Å
92	I	86.3	Confident	88.1	Confident	34 Å²	34	98.5 Å²	98.5	17%	0.174	48%	0.481	C	S	.	.	H	α-helix	trans	-60.7	-48.3	173.1	-58.6	178.3	0	0	0	110	M75 L78 I87 S88 P89 R94 M95 V96	M75-I92 HydrophobicContact CE-CG2 4.2Å; M75-I92 HydrophobicContact SD-CG2 3.49Å; M75-I92 WeakPolarHBondContact SD-CG2 3.46Å; L78-I92 HydrophobicContact CB-CG1 4.3Å; L78-I92 HydrophobicContact CD1-CB 4.4Å; L78-I92 HydrophobicContact CD1-CG1 4.33Å; L78-I92 HydrophobicContact CD1-CG2 4.05Å; I87-I92 HydrophobicContact CG2-CD1 4.28Å; I87-I92 HydrophobicContact CG2-CG1 3.89Å; S88-I92 PolarHBondContact O-N 3.31Å; P89-I92 PolarHBondContact O-N 3.03Å; I92-R94 VanDerWaalsContact C-N 3.3Å; I92-R94 PolarHBondContact O-N 3.47Å; I92-M95 PolarHBondContact O-N 3.04Å; I92-V96 WeakPolarHBondContact O-CG2 3.41Å; I92-V96 PolarHBondContact O-N 2.68Å
93	E	88.9	Confident	88.2	Confident	134 Å²	134	97.4 Å²	97.4	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-57.6	-42.2	175.4	-71.2	171.3	-170.8	0	0	112.1	P89 V96 S97	P89-E93 WeakPolarHBondContact O-CG 3.44Å; P89-E93 PolarHBondContact O-N 3.38Å; E93-V96 PolarHBondContact O-N 3.44Å; E93-S97 VanDerWaalsContact O-CB 3.29Å; E93-S97 WeakPolarHBondContact O-CB 3.35Å; E93-S97 PolarHBondContact O-N 3.02Å
94	R	90.9	Very high	88.3	Confident	142 Å²	142	92 Å²	92	54%	0.536	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-44.4	177.7	-167	-171.8	-60.6	109.4	-1	111.6	K90 E91 I92 S97 I98	K90-R94 WeakPolarHBondContact O-CB 3.48Å; K90-R94 PolarHBondContact O-N 3.19Å; K90-R94 VanDerWaalsContact O-N 3.13Å; E91-R94 WeakPolarHBondContact O-CB 3.3Å; E91-R94 PolarHBondContact O-N 2.74Å; I92-R94 VanDerWaalsContact C-N 3.3Å; I92-R94 PolarHBondContact O-N 3.47Å; R94-S97 WeakPolarHBondContact O-CB 3.38Å; R94-S97 PolarHBondContact O-N 3.38Å; R94-I98 HydrophobicContact CG-CD1 4.4Å; R94-I98 WeakPolarHBondContact O-CG1 3.14Å; R94-I98 PolarHBondContact O-N 3.14Å
95	M	88.5	Confident	88.3	Confident	72 Å²	72	89.2 Å²	89.2	36%	0.355	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-46.3	178.7	-69.5	-164.4	-177.5	0	0	111.6	L78 E91 I92 S97 I98 I99	L78-M95 HydrophobicContact CD1-CB 4.12Å; L78-M95 HydrophobicContact CD1-SD 3.88Å; L78-M95 HydrophobicContact CD2-CE 4.45Å; L78-M95 HydrophobicContact CD2-SD 3.67Å; L78-M95 HydrophobicContact CG-SD 4.35Å; E91-M95 HydrophobicContact CG-CE 4.23Å; E91-M95 WeakPolarHBondContact O-CG 3.48Å; E91-M95 PolarHBondContact O-N 2.67Å; I92-M95 PolarHBondContact O-N 3.04Å; M95-S97 VanDerWaalsContact C-N 3.29Å; M95-S97 PolarHBondContact O-N 3.18Å; M95-I98 WeakPolarHBondContact O-CB 3.3Å; M95-I98 PolarHBondContact O-N 3.2Å; M95-I98 VanDerWaalsContact O-N 3.17Å; M95-I99 WeakPolarHBondContact O-CG1 3.26Å; M95-I99 PolarHBondContact O-N 3.33Å; M95-I99 VanDerWaalsContact O-N 3.09Å
96	V	89	Confident	88.4	Confident	21 Å²	21	85.3 Å²	85.3	13%	0.127	43%	0.434	C	S	.	.	H	α-helix	trans	-60.6	-39.4	175.7	173.8	0	0	0	0	111.5	T71 M75 I92 E93 I98 I99 H100	T71-V96 HydrophobicContact CG2-CG1 4.29Å; M75-V96 HydrophobicContact CE-CG2 4.02Å; M75-V96 HydrophobicContact CG-CG2 4.04Å; M75-V96 HydrophobicContact SD-CG2 3.42Å; M75-V96 WeakPolarHBondContact SD-CG2 3.4Å; I92-V96 WeakPolarHBondContact O-CG2 3.41Å; I92-V96 PolarHBondContact O-N 2.68Å; E93-V96 PolarHBondContact O-N 3.44Å; V96-I98 PolarHBondContact O-N 3.4Å; V96-I99 WeakPolarHBondContact O-CB 3.49Å; V96-I99 PolarHBondContact O-N 3.43Å; V96-H100 PolarHBondContact O-CD2 3.36Å; V96-H100 VanDerWaalsContact O-CD2 3.26Å; V96-H100 PolarHBondContact O-N 3.42Å
97	S	91.6	Very high	88.7	Confident	76 Å²	76	81.5 Å²	81.5	53%	0.531	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-40.4	175.5	-176.2	0	0	0	0	112.8	E93 R94 M95 I99 H100 R101	E93-S97 VanDerWaalsContact O-CB 3.29Å; E93-S97 WeakPolarHBondContact O-CB 3.35Å; E93-S97 PolarHBondContact O-N 3.02Å; R94-S97 WeakPolarHBondContact O-CB 3.38Å; R94-S97 PolarHBondContact O-N 3.38Å; M95-S97 VanDerWaalsContact C-N 3.29Å; M95-S97 PolarHBondContact O-N 3.18Å; S97-I99 VanDerWaalsContact C-N 3.3Å; S97-I99 PolarHBondContact O-N 3.45Å; S97-H100 PolarHBondContact O-N 2.93Å; S97-R101 WeakPolarHBondContact O-CB 3.3Å; S97-R101 PolarHBondContact O-N 3.44Å
98	I	92.3	Very high	88.9	Confident	93 Å²	93	85.4 Å²	85.4	48%	0.477	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-41.3	174.7	-67.9	163.7	0	0	0	110.7	R94 M95 V96 R101 K102	R94-I98 HydrophobicContact CG-CD1 4.4Å; R94-I98 WeakPolarHBondContact O-CG1 3.14Å; R94-I98 PolarHBondContact O-N 3.14Å; M95-I98 WeakPolarHBondContact O-CB 3.3Å; M95-I98 PolarHBondContact O-N 3.2Å; M95-I98 VanDerWaalsContact O-N 3.17Å; V96-I98 PolarHBondContact O-N 3.4Å; I98-R101 PolarHBondContact O-N 2.87Å; I98-K102 HydrophobicContact CG2-CG 4.49Å; I98-K102 WeakPolarHBondContact O-CG 3.36Å; I98-K102 PolarHBondContact O-N 3.39Å
99	I	90.1	Very high	89	Confident	15 Å²	15	87 Å²	87	8%	0.077	42%	0.424	C	S	.	.	H	α-helix	trans	-59.8	-58.2	176.1	-63.6	174.7	0	0	0	109.6	F70 V74 M95 V96 S97 R101 K102 F103	F70-I99 HydrophobicContact CD1-CD1 3.94Å; F70-I99 HydrophobicContact CD1-CG1 4.22Å; F70-I99 HydrophobicContact CD1-CG2 3.75Å; F70-I99 HydrophobicContact CE1-CD1 3.65Å; F70-I99 HydrophobicContact CE1-CG1 3.79Å; F70-I99 HydrophobicContact CE1-CG2 4.12Å; V74-I99 HydrophobicContact CB-CD1 3.86Å; V74-I99 HydrophobicContact CG1-CD1 3.84Å; V74-I99 HydrophobicContact CG2-CD1 3.81Å; M95-I99 WeakPolarHBondContact O-CG1 3.26Å; M95-I99 PolarHBondContact O-N 3.33Å; M95-I99 VanDerWaalsContact O-N 3.09Å; V96-I99 WeakPolarHBondContact O-CB 3.49Å; V96-I99 PolarHBondContact O-N 3.43Å; S97-I99 VanDerWaalsContact C-N 3.3Å; S97-I99 PolarHBondContact O-N 3.45Å; I99-R101 PolarHBondContact O-N 2.99Å; I99-R101 VanDerWaalsContact O-N 3.12Å; I99-K102 WeakPolarHBondContact O-CB 3.34Å; I99-K102 PolarHBondContact O-N 3.44Å; I99-F103 HydrophobicContact CG2-CD2 3.49Å; I99-F103 VanDerWaalsContact CG2-CD2 3.49Å; I99-F103 HydrophobicContact CG2-CE2 3.65Å; I99-F103 WeakPolarHBondContact O-CB 3.34Å; I99-F103 VanDerWaalsContact O-CD2 3.31Å; I99-F103 WeakPolarHBondContact O-CD2 3.46Å; I99-F103 PolarHBondContact O-N 2.86Å
100	H	89.4	Confident	89.3	Confident	91 Å²	91	83 Å²	83	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-56.5	-34.3	179.5	-73.1	-55.7	0	0	0	113.1	V96 S97 S104	V96-H100 PolarHBondContact O-CD2 3.36Å; V96-H100 VanDerWaalsContact O-CD2 3.26Å; V96-H100 PolarHBondContact O-N 3.42Å; S97-H100 PolarHBondContact O-N 2.93Å; H100-S104 VanDerWaalsContact O-CB 3.28Å; H100-S104 WeakPolarHBondContact O-CB 3.33Å; H100-S104 PolarHBondContact O-N 3.48Å; H100-S104 PolarHBondContact O-OG 3.25Å
101	R	91.7	Very high	89.4	Confident	205 Å²	205	77.3 Å²	77.3	77%	0.774	37%	0.374	S	S	*	.	H	α-helix	trans	-67.8	-45.7	175.7	-169.7	177.6	-178.9	120.4	-0.8	112.4	S97 I98 I99 S104 S105	S97-R101 WeakPolarHBondContact O-CB 3.3Å; S97-R101 PolarHBondContact O-N 3.44Å; I98-R101 PolarHBondContact O-N 2.87Å; I99-R101 PolarHBondContact O-N 2.99Å; I99-R101 VanDerWaalsContact O-N 3.12Å; R101-S104 PolarHBondContact O-N 3.45Å; R101-S105 PolarHBondContact O-N 3.3Å
102	K	89.9	Confident	89.6	Confident	146 Å²	146	77 Å²	77	64%	0.635	37%	0.372	S	S	*	.	H	α-helix	trans	-60.4	-48.1	175.4	-75.5	-82.5	-174.5	179.6	0	110.7	I98 I99 S105 I106	I98-K102 HydrophobicContact CG2-CG 4.49Å; I98-K102 WeakPolarHBondContact O-CG 3.36Å; I98-K102 PolarHBondContact O-N 3.39Å; I99-K102 WeakPolarHBondContact O-CB 3.34Å; I99-K102 PolarHBondContact O-N 3.44Å; K102-S105 WeakPolarHBondContact O-CB 3.4Å; K102-S105 PolarHBondContact O-N 2.94Å; K102-I106 PolarHBondContact O-N 3.01Å
103	F	90.1	Very high	89.7	Confident	30 Å²	30	76.3 Å²	76.3	13%	0.132	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-53.4	176.1	-88.1	-85.9	0	0	0	109.5	Y63 C67 F70 I99 S105 I106 Q107	Y63-F103 HydrophobicContact CD2-CD1 4.12Å; Y63-F103 HydrophobicContact CD2-CE1 4.45Å; Y63-F103 HydrophobicContact CE2-CB 4.28Å; Y63-F103 AromaticContact CE2-CD1 3.35Å; Y63-F103 HydrophobicContact CE2-CD1 3.35Å; Y63-F103 HydrophobicContact CE2-CE1 4.08Å; Y63-F103 HydrophobicContact CE2-CG 4.24Å; Y63-F103 AromaticContact CZ-CD1 3.58Å; Y63-F103 WeakPolarHBondContact OH-CA 3.36Å; Y63-F103 WeakPolarHBondContact OH-CB 3.44Å; Y63-F103 PolarHBondContact OH-O 3.03Å; C67-F103 HydrophobicContact CB-CD1 3.38Å; C67-F103 HydrophobicContact CB-CE1 3.5Å; C67-F103 HydrophobicContact CB-CG 4Å; C67-F103 HydrophobicContact CB-CZ 4.17Å; C67-F103 VanDerWaalsContact SG-CD1 3.57Å; C67-F103 VanDerWaalsContact SG-CG 3.51Å; F70-F103 HydrophobicContact CB-CE2 4.36Å; F70-F103 HydrophobicContact CB-CZ 4.17Å; F70-F103 AromaticContact CD1-CE2 3.86Å; F70-F103 HydrophobicContact CD1-CE2 3.86Å; F70-F103 HydrophobicContact CD1-CZ 4.44Å; F70-F103 HydrophobicContact CG-CE2 4.34Å; F70-F103 HydrophobicContact CG-CZ 4.48Å; I99-F103 HydrophobicContact CG2-CD2 3.49Å; I99-F103 VanDerWaalsContact CG2-CD2 3.49Å; I99-F103 HydrophobicContact CG2-CE2 3.65Å; I99-F103 WeakPolarHBondContact O-CB 3.34Å; I99-F103 VanDerWaalsContact O-CD2 3.31Å; I99-F103 WeakPolarHBondContact O-CD2 3.46Å; I99-F103 PolarHBondContact O-N 2.86Å; F103-S105 PolarHBondContact O-N 3.43Å; F103-I106 WeakPolarHBondContact O-CA 3.46Å; F103-I106 WeakPolarHBondContact O-CB 3.45Å; F103-I106 PolarHBondContact O-N 3.38Å; F103-Q107 PolarHBondContact O-N 3.45Å
104	S	89.4	Confident	89.9	Confident	71 Å²	71	69.9 Å²	69.9	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-53	-35.1	-179.4	-63.7	0	0	0	0	113.3	H100 R101 M108	H100-S104 VanDerWaalsContact O-CB 3.28Å; H100-S104 WeakPolarHBondContact O-CB 3.33Å; H100-S104 PolarHBondContact O-N 3.48Å; H100-S104 PolarHBondContact O-OG 3.25Å; R101-S104 PolarHBondContact O-N 3.45Å; S104-M108 WeakPolarHBondContact O-CB 3.44Å; S104-M108 PolarHBondContact O-N 3.5Å
105	S	90	Very high	89.8	Confident	55 Å²	55	63.2 Å²	63.2	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-42.4	174.8	-169.7	0	0	0	0	112.8	R101 K102 F103 M108 Q109	R101-S105 PolarHBondContact O-N 3.3Å; K102-S105 WeakPolarHBondContact O-CB 3.4Å; K102-S105 PolarHBondContact O-N 2.94Å; F103-S105 PolarHBondContact O-N 3.43Å; S105-M108 WeakPolarHBondContact O-CB 3.37Å; S105-M108 PolarHBondContact O-N 2.93Å; S105-Q109 WeakPolarHBondContact O-CG 3.41Å; S105-Q109 PolarHBondContact O-N 3.19Å; S105-Q109 VanDerWaalsContact O-N 3.07Å
106	I	88	Confident	89.8	Confident	55 Å²	55	64.1 Å²	64.1	28%	0.282	32%	0.318	S	S	.	.	H	α-helix	trans	-67.3	-42.7	178.1	-62.6	166.4	0	0	0	110.2	Y63 K102 F103 M108 Q109 L110	Y63-I106 HydrophobicContact CD2-CB 4.3Å; Y63-I106 HydrophobicContact CD2-CG2 3.7Å; Y63-I106 HydrophobicContact CE2-CB 3.7Å; Y63-I106 HydrophobicContact CE2-CG2 3.63Å; K102-I106 PolarHBondContact O-N 3.01Å; F103-I106 WeakPolarHBondContact O-CA 3.46Å; F103-I106 WeakPolarHBondContact O-CB 3.45Å; F103-I106 PolarHBondContact O-N 3.38Å; I106-M108 VanDerWaalsContact C-N 3.25Å; I106-M108 PolarHBondContact O-N 3.33Å; I106-Q109 WeakPolarHBondContact O-CB 3.43Å; I106-Q109 PolarHBondContact O-N 3Å; I106-Q109 VanDerWaalsContact O-N 3.08Å; I106-L110 PolarHBondContact O-N 2.93Å
107	Q	87.3	Confident	89.9	Confident	57 Å²	57	63.2 Å²	63.2	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-38.5	175.4	-169	-178.7	-77.2	0	0	111.7	L60 Y63 F103 L110 K111	L60-Q107 HydrophobicContact CD1-CG 4.12Å; Y63-Q107 HydrophobicContact CE1-CB 3.87Å; Y63-Q107 HydrophobicContact CE1-CG 4.19Å; F103-Q107 PolarHBondContact O-N 3.45Å; Q107-L110 PolarHBondContact O-N 3.42Å; Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 3.46Å; Q107-K111 VanDerWaalsContact O-N 3.08Å
108	M	88.9	Confident	89.8	Confident	113 Å²	113	59.9 Å²	59.9	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-64.2	-40.4	174.8	-174.7	173.7	69	0	0	111.8	L3 S104 S105 I106 K111 Q112	L3-M108 HydrophobicContact CD1-CG 4.36Å; S104-M108 WeakPolarHBondContact O-CB 3.44Å; S104-M108 PolarHBondContact O-N 3.5Å; S105-M108 WeakPolarHBondContact O-CB 3.37Å; S105-M108 PolarHBondContact O-N 2.93Å; I106-M108 VanDerWaalsContact C-N 3.25Å; I106-M108 PolarHBondContact O-N 3.33Å; M108-K111 PolarHBondContact O-N 3.15Å; M108-Q112 WeakPolarHBondContact O-CB 3.4Å; M108-Q112 PolarHBondContact O-N 2.76Å
109	Q	89.2	Confident	89.5	Confident	93 Å²	93	61 Å²	61	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-42.8	176	-73.2	177.1	-25.2	0	0	112.3	S105 I106 K111 Q112 S113	S105-Q109 WeakPolarHBondContact O-CG 3.41Å; S105-Q109 PolarHBondContact O-N 3.19Å; S105-Q109 VanDerWaalsContact O-N 3.07Å; I106-Q109 WeakPolarHBondContact O-CB 3.43Å; I106-Q109 PolarHBondContact O-N 3Å; I106-Q109 VanDerWaalsContact O-N 3.08Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.34Å; Q109-Q112 WeakPolarHBondContact O-CB 3.37Å; Q109-Q112 PolarHBondContact O-N 3.48Å; Q109-S113 PolarHBondContact O-N 3.18Å; Q109-S113 PolarHBondContact O-OG 3.2Å
110	L	89.4	Confident	89.5	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-43.9	174.8	176.8	63	0	0	0	111.6	Y56 E59 L60 I106 Q107 Q112 S113 T114	Y56-L110 HydrophobicContact CD2-CD2 4.3Å; Y56-L110 HydrophobicContact CD2-CG 4.07Å; Y56-L110 HydrophobicContact CE2-CD2 4.23Å; Y56-L110 HydrophobicContact CE2-CG 4.14Å; E59-L110 HydrophobicContact CB-CD1 3.94Å; E59-L110 HydrophobicContact CB-CD2 4.12Å; L60-L110 HydrophobicContact CB-CD2 4.14Å; L60-L110 HydrophobicContact CD1-CD2 4.41Å; I106-L110 PolarHBondContact O-N 2.93Å; Q107-L110 PolarHBondContact O-N 3.42Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-S113 PolarHBondContact O-OG 2.88Å; L110-T114 WeakPolarHBondContact O-CB 3.48Å; L110-T114 PolarHBondContact O-N 3.3Å; L110-T114 VanDerWaalsContact O-N 3.08Å; L110-T114 PolarHBondContact O-OG1 3.34Å
111	K	89.4	Confident	89.5	Confident	30 Å²	30	60 Å²	60	13%	0.13	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-42.5	176.1	-71.9	176.1	177.7	-178.7	0	111.4	L3 D4 L7 Y56 Q107 M108 Q109 C115	L3-K111 HydrophobicContact CB-CB 4.22Å; L3-K111 HydrophobicContact CD1-CB 4.22Å; D4-K111 VanDerWaalsContact OD1-CD 3.29Å; D4-K111 WeakPolarHBondContact OD1-CD 3.38Å; D4-K111 VanDerWaalsContact OD1-CE 3.25Å; D4-K111 WeakPolarHBondContact OD1-CE 3.49Å; D4-K111 IonicContact OD1-NZ 3.99Å; D4-K111 PolarHBondContact OD1-NZ 3.15Å; L7-K111 HydrophobicContact CD1-CB 4.01Å; L7-K111 HydrophobicContact CD1-CG 3.87Å; Y56-K111 HydrophobicContact CE2-CG 4Å; Y56-K111 VanDerWaalsContact OH-CE 3.3Å; Y56-K111 WeakPolarHBondContact OH-CE 3.42Å; Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 3.46Å; Q107-K111 VanDerWaalsContact O-N 3.08Å; M108-K111 PolarHBondContact O-N 3.15Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.34Å; K111-C115 WeakPolarHBondContact O-CB 3.36Å; K111-C115 PolarHBondContact O-N 3.44Å; K111-C115 PolarHBondContact O-SG 3.33Å
112	Q	90.8	Very high	89.2	Confident	78 Å²	78	56.2 Å²	56.2	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-49	178.5	-177.9	63.3	35.9	0	0	112.1	L3 M108 Q109 L110 T114 C115 E116	L3-Q112 HydrophobicContact CD1-CB 4.15Å; L3-Q112 VanDerWaalsContact CD2-OE1 3.26Å; M108-Q112 WeakPolarHBondContact O-CB 3.4Å; M108-Q112 PolarHBondContact O-N 2.76Å; Q109-Q112 WeakPolarHBondContact O-CB 3.37Å; Q109-Q112 PolarHBondContact O-N 3.48Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-T114 VanDerWaalsContact C-N 3.33Å; Q112-T114 PolarHBondContact O-N 3.34Å; Q112-C115 VanDerWaalsContact O-CB 3.29Å; Q112-C115 WeakPolarHBondContact O-CB 3.38Å; Q112-C115 PolarHBondContact O-N 2.95Å; Q112-E116 PolarHBondContact NE2-OE1 3.18Å; Q112-E116 WeakPolarHBondContact O-CG 3.39Å; Q112-E116 PolarHBondContact O-N 3.02Å
113	S	89.3	Confident	89	Confident	18 Å²	18	52 Å²	52	13%	0.126	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-38.7	179.7	63	0	0	0	0	112.2	Q109 L110 E116 A117 L269	Q109-S113 PolarHBondContact O-N 3.18Å; Q109-S113 PolarHBondContact O-OG 3.2Å; L110-S113 PolarHBondContact O-OG 2.88Å; S113-E116 PolarHBondContact O-N 3.44Å; S113-A117 WeakPolarHBondContact O-CB 3.46Å; S113-A117 PolarHBondContact O-N 2.72Å; S113-L269 WeakPolarHBondContact OG-CD1 3.45Å
114	T	92.1	Very high	88.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175	-55.5	0	0	0	0	111.2	L7 V12 I52 Y56 L110 Q112 A117 V118	L7-T114 HydrophobicContact CD2-CG2 3.63Å; V12-T114 HydrophobicContact CG1-CG2 3.65Å; I52-T114 HydrophobicContact CG2-CG2 3.86Å; Y56-T114 HydrophobicContact CD2-CG2 4.01Å; Y56-T114 WeakPolarHBondContact CD2-OG1 3.37Å; Y56-T114 HydrophobicContact CG-CG2 4.02Å; L110-T114 WeakPolarHBondContact O-CB 3.48Å; L110-T114 PolarHBondContact O-N 3.3Å; L110-T114 VanDerWaalsContact O-N 3.08Å; L110-T114 PolarHBondContact O-OG1 3.34Å; Q112-T114 VanDerWaalsContact C-N 3.33Å; Q112-T114 PolarHBondContact O-N 3.34Å; T114-A117 WeakPolarHBondContact O-CB 3.41Å; T114-A117 PolarHBondContact O-N 3.48Å; T114-V118 WeakPolarHBondContact O-CG2 3.42Å; T114-V118 PolarHBondContact O-N 3.44Å
115	C	88.9	Confident	88.5	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-47.3	175.7	-82	0	0	0	0	112.3	L3 M6 L7 K111 Q112 A117 V118 M119	L3-C115 HydrophobicContact CD2-CB 3.99Å; M6-C115 HydrophobicContact CE-CB 3.11Å; M6-C115 WeakPolarHBondContact CE-SG 3.38Å; L7-C115 VanDerWaalsContact CD2-SG 3.53Å; L7-C115 VanDerWaalsContact CG-SG 3.57Å; K111-C115 WeakPolarHBondContact O-CB 3.36Å; K111-C115 PolarHBondContact O-N 3.44Å; K111-C115 PolarHBondContact O-SG 3.33Å; Q112-C115 VanDerWaalsContact O-CB 3.29Å; Q112-C115 WeakPolarHBondContact O-CB 3.38Å; Q112-C115 PolarHBondContact O-N 2.95Å; C115-A117 VanDerWaalsContact C-N 3.33Å; C115-A117 PolarHBondContact O-N 3.29Å; C115-V118 PolarHBondContact O-N 3.4Å; C115-M119 WeakPolarHBondContact O-CG 3.33Å; C115-M119 PolarHBondContact O-N 2.95Å
116	E	89.6	Confident	88	Confident	90 Å²	90	55.2 Å²	55.2	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-42.5	175.1	-73.4	172.9	-165.8	0	0	111.7	Q112 S113 V118 M119 I120	Q112-E116 PolarHBondContact NE2-OE1 3.18Å; Q112-E116 WeakPolarHBondContact O-CG 3.39Å; Q112-E116 PolarHBondContact O-N 3.02Å; S113-E116 PolarHBondContact O-N 3.44Å; E116-V118 PolarHBondContact O-N 3.07Å; E116-M119 PolarHBondContact O-N 3.17Å; E116-I120 VanDerWaalsContact O-CG1 3.27Å; E116-I120 WeakPolarHBondContact O-CG1 3.15Å; E116-I120 PolarHBondContact O-N 3.41Å
117	A	89.8	Confident	87.6	Confident	2 Å²	2	56 Å²	56	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-45.9	177	0	0	0	0	0	112.4	I52 S113 T114 C115 I120 L121 I273	I52-A117 HydrophobicContact CD1-CB 4.14Å; I52-A117 HydrophobicContact CG2-CB 4.46Å; S113-A117 WeakPolarHBondContact O-CB 3.46Å; S113-A117 PolarHBondContact O-N 2.72Å; T114-A117 WeakPolarHBondContact O-CB 3.41Å; T114-A117 PolarHBondContact O-N 3.48Å; C115-A117 VanDerWaalsContact C-N 3.33Å; C115-A117 PolarHBondContact O-N 3.29Å; A117-I120 PolarHBondContact O-N 3.1Å; A117-L121 WeakPolarHBondContact O-CB 3.41Å; A117-L121 PolarHBondContact O-N 3.46Å; A117-I273 HydrophobicContact CB-CD1 3.65Å; A117-I273 HydrophobicContact CB-CG1 4.44Å
118	V	89.4	Confident	87	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-44.1	176.8	175.2	0	0	0	0	111.3	E10 V12 L49 I52 T114 C115 E116 I120 L121 R122	E10-V118 HydrophobicContact CB-CG1 3.97Å; E10-V118 HydrophobicContact CG-CG1 3.71Å; V12-V118 HydrophobicContact CG2-CG2 3.88Å; L49-V118 HydrophobicContact CD1-CG1 4.38Å; L49-V118 HydrophobicContact CD1-CG2 4.16Å; I52-V118 HydrophobicContact CG2-CG2 3.98Å; T114-V118 WeakPolarHBondContact O-CG2 3.42Å; T114-V118 PolarHBondContact O-N 3.44Å; C115-V118 PolarHBondContact O-N 3.4Å; E116-V118 PolarHBondContact O-N 3.07Å; V118-I120 PolarHBondContact O-N 3.27Å; V118-L121 PolarHBondContact O-N 2.97Å; V118-R122 WeakPolarHBondContact O-CB 3.45Å; V118-R122 PolarHBondContact O-N 3.25Å
119	M	87.5	Confident	86.2	Confident	118 Å²	118	54 Å²	54	58%	0.581	26%	0.262	S	S	*	.	H	α-helix	trans	-62.4	-43.3	178.6	-73.1	-171.6	71.9	0	0	112.1	M6 C115 E116 R122 S123	M6-M119 HydrophobicContact CE-SD 4.4Å; M6-M119 HydrophobicContact SD-SD 4.42Å; C115-M119 WeakPolarHBondContact O-CG 3.33Å; C115-M119 PolarHBondContact O-N 2.95Å; E116-M119 PolarHBondContact O-N 3.17Å; M119-R122 PolarHBondContact O-N 2.71Å; M119-S123 PolarHBondContact O-N 3.5Å
120	I	89.7	Confident	85.4	Confident	71 Å²	71	56.4 Å²	56.4	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-45.3	177.3	-66.5	164.2	0	0	0	110.4	E116 A117 V118 R122 S123 R124 I273	E116-I120 VanDerWaalsContact O-CG1 3.27Å; E116-I120 WeakPolarHBondContact O-CG1 3.15Å; E116-I120 PolarHBondContact O-N 3.41Å; A117-I120 PolarHBondContact O-N 3.1Å; V118-I120 PolarHBondContact O-N 3.27Å; I120-R122 VanDerWaalsContact C-N 3.31Å; I120-R122 PolarHBondContact O-N 3.17Å; I120-S123 PolarHBondContact O-N 2.61Å; I120-R124 HydrophobicContact CG2-CG 4.42Å; I120-R124 WeakPolarHBondContact O-CG 3.39Å; I120-R124 PolarHBondContact O-N 3.06Å; I120-I273 HydrophobicContact CB-CG2 4.48Å; I120-I273 HydrophobicContact CD1-CD1 4.39Å; I120-I273 HydrophobicContact CG2-CG2 3.58Å
121	L	89.4	Confident	84.1	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-44.8	177.6	179.3	62.4	0	0	0	111.2	Y45 K48 L49 I52 A117 V118 R124 F125	Y45-L121 HydrophobicContact CD2-CD1 4.13Å; Y45-L121 HydrophobicContact CD2-CD2 4.15Å; Y45-L121 HydrophobicContact CD2-CG 3.78Å; Y45-L121 HydrophobicContact CE2-CD1 4.49Å; Y45-L121 HydrophobicContact CE2-CD2 4.01Å; Y45-L121 HydrophobicContact CE2-CG 3.67Å; K48-L121 HydrophobicContact CB-CD1 3.99Å; K48-L121 HydrophobicContact CB-CD2 3.85Å; K48-L121 HydrophobicContact CD-CD1 3.66Å; L49-L121 HydrophobicContact CB-CD2 4.2Å; I52-L121 HydrophobicContact CD1-CB 4.4Å; I52-L121 HydrophobicContact CD1-CD2 3.79Å; A117-L121 WeakPolarHBondContact O-CB 3.41Å; A117-L121 PolarHBondContact O-N 3.46Å; V118-L121 PolarHBondContact O-N 2.97Å; L121-R124 PolarHBondContact O-N 3.27Å; L121-F125 WeakPolarHBondContact O-CB 3.43Å; L121-F125 PolarHBondContact O-N 3.04Å
122	R	85.1	Confident	82.7	Confident	126 Å²	126	67.9 Å²	67.9	48%	0.475	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-42.3	177.3	-171.3	172.4	179.8	174.7	-1.8	112.4	E10 V118 M119 I120 F125 L126	E10-R122 IonicContact OE1-CZ 3.78Å; E10-R122 IonicContact OE1-NH1 3.68Å; E10-R122 PolarHBondContact OE1-NH1 3.03Å; V118-R122 WeakPolarHBondContact O-CB 3.45Å; V118-R122 PolarHBondContact O-N 3.25Å; M119-R122 PolarHBondContact O-N 2.71Å; I120-R122 VanDerWaalsContact C-N 3.31Å; I120-R122 PolarHBondContact O-N 3.17Å; R122-F125 PolarHBondContact O-N 3.38Å; R122-L126 HydrophobicContact CG-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 3.15Å; R122-L126 VanDerWaalsContact O-N 3.07Å
123	S	84.9	Confident	81.7	Confident	59 Å²	59	73.3 Å²	73.3	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-50.7	175.7	-168.2	0	0	0	0	111.2	M119 I120 F125 L126 D127	M119-S123 PolarHBondContact O-N 3.5Å; I120-S123 PolarHBondContact O-N 2.61Å; S123-F125 VanDerWaalsContact C-N 3.28Å; S123-F125 PolarHBondContact O-N 2.91Å; S123-L126 PolarHBondContact O-N 3.07Å; S123-L126 VanDerWaalsContact O-N 3.15Å; S123-D127 WeakPolarHBondContact O-CB 3.37Å; S123-D127 PolarHBondContact O-N 3.02Å; S123-D127 PolarHBondContact OG-OD2 3.36Å
124	R	84.9	Confident	81.2	Confident	119 Å²	119	78.2 Å²	78.2	45%	0.449	36%	0.356	S	S	.	.	H	α-helix	trans	-57.7	-41.2	-179.8	-74.4	-177.5	168.8	-151.1	-9.1	112.2	I120 L121 D127 A128 I273	I120-R124 HydrophobicContact CG2-CG 4.42Å; I120-R124 WeakPolarHBondContact O-CG 3.39Å; I120-R124 PolarHBondContact O-N 3.06Å; L121-R124 PolarHBondContact O-N 3.27Å; R124-D127 PolarHBondContact O-N 3.31Å; R124-A128 WeakPolarHBondContact O-CB 3.42Å; R124-A128 PolarHBondContact O-N 2.92Å; R124-I273 PolarHBondContact NH1-O 2.81Å
125	F	83.9	Confident	81	Confident	31 Å²	31	80.7 Å²	80.7	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-46	176.9	-177.9	-102.5	0	0	0	112.5	E41 H42 Y45 L121 R122 S123 D127 A128 R129	E41-F125 HydrophobicContact CB-CE2 4.37Å; H42-F125 AromaticContact CD2-CZ 3.84Å; H42-F125 AromaticContact CE1-CZ 3.57Å; H42-F125 AromaticContact CG-CZ 3.96Å; H42-F125 AromaticContact ND1-CZ 3.77Å; H42-F125 AromaticContact NE2-CZ 3.59Å; Y45-F125 HydrophobicContact CD2-CB 3.71Å; Y45-F125 HydrophobicContact CD2-CD1 4.43Å; Y45-F125 HydrophobicContact CD2-CD2 4.03Å; Y45-F125 AromaticContact CD2-CG 3.79Å; Y45-F125 HydrophobicContact CD2-CG 3.79Å; Y45-F125 HydrophobicContact CE2-CB 4.08Å; Y45-F125 HydrophobicContact CE2-CG 4.35Å; Y45-F125 HydrophobicContact CG-CD2 4.06Å; Y45-F125 HydrophobicContact CG-CE2 4.47Å; Y45-F125 HydrophobicContact CG-CG 4.16Å; L121-F125 WeakPolarHBondContact O-CB 3.43Å; L121-F125 PolarHBondContact O-N 3.04Å; R122-F125 PolarHBondContact O-N 3.38Å; S123-F125 VanDerWaalsContact C-N 3.28Å; S123-F125 PolarHBondContact O-N 2.91Å; F125-D127 VanDerWaalsContact C-N 3.3Å; F125-D127 PolarHBondContact O-N 3.41Å; F125-A128 PolarHBondContact O-N 3.07Å; F125-R129 WeakPolarHBondContact O-CB 3.42Å; F125-R129 PolarHBondContact O-N 3.45Å
126	L	80.8	Confident	81	Confident	72 Å²	72	85.1 Å²	85.1	38%	0.377	39%	0.39	S	S	.	.	H	α-helix	trans	-66.5	-31.9	177.7	-70.4	172.6	0	0	0	112.8	R122 S123 R130	R122-L126 HydrophobicContact CG-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 3.15Å; R122-L126 VanDerWaalsContact O-N 3.07Å; S123-L126 PolarHBondContact O-N 3.07Å; S123-L126 VanDerWaalsContact O-N 3.15Å; L126-R130 WeakPolarHBondContact O-CB 3.46Å; L126-R130 WeakPolarHBondContact O-CG 3.37Å; L126-R130 PolarHBondContact O-N 3.29Å; L126-R130 PolarHBondContact O-NE 3.46Å
127	D	79.3	Confident	81	Confident	71 Å²	71	89.3 Å²	89.3	38%	0.38	41%	0.407	S	S	.	.	H	α-helix	trans	-71	-45.4	175.7	-68.1	-25.6	0	0	0	111.8	S123 R124 F125 R129 R130 K131	S123-D127 WeakPolarHBondContact O-CB 3.37Å; S123-D127 PolarHBondContact O-N 3.02Å; S123-D127 PolarHBondContact OG-OD2 3.36Å; R124-D127 PolarHBondContact O-N 3.31Å; F125-D127 VanDerWaalsContact C-N 3.3Å; F125-D127 PolarHBondContact O-N 3.41Å; D127-R129 VanDerWaalsContact C-N 3.33Å; D127-R129 PolarHBondContact O-N 2.96Å; D127-R130 PolarHBondContact O-N 2.89Å; D127-R130 IonicContact OD1-CZ 3.14Å; D127-R130 VanDerWaalsContact OD1-CZ 3.24Å; D127-R130 IonicContact OD1-NE 3.99Å; D127-R130 IonicContact OD1-NH1 3.61Å; D127-R130 IonicContact OD1-NH2 3.49Å; D127-R130 PolarHBondContact OD1-NH2 2.91Å; D127-K131 WeakPolarHBondContact O-CB 3.32Å; D127-K131 PolarHBondContact O-N 3Å
128	A	74.4	Confident	81.1	Confident	43 Å²	43	95.5 Å²	95.5	36%	0.355	44%	0.435	S	S	.	.	H	α-helix	trans	-58	-46.6	173.6	0	0	0	0	0	111.3	R124 F125 R130 K131 R132	R124-A128 WeakPolarHBondContact O-CB 3.42Å; R124-A128 PolarHBondContact O-N 2.92Å; F125-A128 PolarHBondContact O-N 3.07Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.27Å; A128-K131 PolarHBondContact O-N 2.98Å; A128-R132 PolarHBondContact O-N 3.44Å; A128-R132 VanDerWaalsContact O-N 3.14Å
129	R	73.2	Confident	81.3	Confident	87 Å²	87	95.3 Å²	95.3	33%	0.328	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-38.1	175.8	-171.4	174.4	123.4	157.5	0.7	112.7	F125 D127	F125-R129 WeakPolarHBondContact O-CB 3.42Å; F125-R129 PolarHBondContact O-N 3.45Å; D127-R129 VanDerWaalsContact C-N 3.33Å; D127-R129 PolarHBondContact O-N 2.96Å
130	R	70.8	Confident	81.6	Confident	143 Å²	143	91.7 Å²	91.7	54%	0.54	42%	0.419	S	S	.	.	H	α-helix	trans	-69.5	-39.9	175.1	-86.5	-177.3	-76.4	172.2	-9.7	112.2	L126 D127 A128 R132 R133 N134	L126-R130 WeakPolarHBondContact O-CB 3.46Å; L126-R130 WeakPolarHBondContact O-CG 3.37Å; L126-R130 PolarHBondContact O-N 3.29Å; L126-R130 PolarHBondContact O-NE 3.46Å; D127-R130 PolarHBondContact O-N 2.89Å; D127-R130 IonicContact OD1-CZ 3.14Å; D127-R130 VanDerWaalsContact OD1-CZ 3.24Å; D127-R130 IonicContact OD1-NE 3.99Å; D127-R130 IonicContact OD1-NH1 3.61Å; D127-R130 IonicContact OD1-NH2 3.49Å; D127-R130 PolarHBondContact OD1-NH2 2.91Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.27Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.16Å; R130-R133 PolarHBondContact O-N 3.15Å; R130-N134 PolarHBondContact O-N 2.92Å
131	K	62.3	Low	81.8	Confident	175 Å²	175	91.7 Å²	91.7	76%	0.761	42%	0.417	S	S	*	.	H	α-helix	trans	-60.8	-38.3	178.2	-163.5	168.5	-179.3	177.9	0	111.5	D127 A128 R133 N134	D127-K131 WeakPolarHBondContact O-CB 3.32Å; D127-K131 PolarHBondContact O-N 3Å; A128-K131 PolarHBondContact O-N 2.98Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.4Å; K131-N134 PolarHBondContact O-N 3.26Å
132	R	61.8	Low	82	Confident	102 Å²	102	92.8 Å²	92.8	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-25.1	171.1	-91.1	-173.6	-171	-168	-5.8	114.9	D37 N38 E41 A128 R130	D37-R132 VanDerWaalsContact C-NH1 3.33Å; D37-R132 VanDerWaalsContact CG-NH1 3.34Å; D37-R132 PolarHBondContact O-NH1 3.48Å; D37-R132 IonicContact OD1-CZ 2.65Å; D37-R132 IonicContact OD1-NH1 3.46Å; D37-R132 IonicContact OD1-NH2 2.74Å; D37-R132 PolarHBondContact OD1-NH2 2.95Å; D37-R132 IonicContact OD2-CZ 4Å; D37-R132 VanDerWaalsContact OD2-CZ 3.28Å; D37-R132 IonicContact OD2-NH1 2.91Å; D37-R132 PolarHBondContact OD2-NH1 2.78Å; D37-R132 IonicContact OD2-NH2 3.7Å; D37-R132 PolarHBondContact OD2-NH2 3.11Å; D37-R132 VanDerWaalsContact OD2-NH2 3.12Å; N38-R132 PolarHBondContact OD1-NH1 3Å; N38-R132 VanDerWaalsContact OD1-NH1 3.12Å; E41-R132 VanDerWaalsContact CD-NH2 3.29Å; E41-R132 IonicContact OE1-CZ 3.28Å; E41-R132 IonicContact OE1-NE 3.52Å; E41-R132 PolarHBondContact OE1-NE 3.33Å; E41-R132 VanDerWaalsContact OE1-NE 3.14Å; E41-R132 IonicContact OE1-NH1 2.85Å; E41-R132 IonicContact OE1-NH2 3.34Å; E41-R132 PolarHBondContact OE1-NH2 2.81Å; E41-R132 IonicContact OE2-CZ 2.84Å; E41-R132 IonicContact OE2-NE 3.57Å; E41-R132 IonicContact OE2-NH1 3.59Å; E41-R132 IonicContact OE2-NH2 3.12Å; A128-R132 PolarHBondContact O-N 3.44Å; A128-R132 VanDerWaalsContact O-N 3.14Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.16Å
133	R	68.3	Low	82.6	Confident	192 Å²	192	86.8 Å²	86.8	73%	0.725	40%	0.4	S	S	*	.	H	α-helix	trans	-84.2	-16.4	179.7	-67.9	179.5	86.5	-178.3	8.8	113.2	R130 K131	R130-R133 PolarHBondContact O-N 3.15Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.4Å
134	N	79.9	Confident	83	Confident	122 Å²	122	84.6 Å²	84.6	65%	0.652	38%	0.384	S	S	*	.	S	Bend	trans	-92.3	131.6	178.6	-66.9	-21.7	0	0	0	109.4	R130 K131	R130-N134 PolarHBondContact O-N 2.92Å; K131-N134 PolarHBondContact O-N 3.26Å
135	F	87.8	Confident	83.5	Confident	51 Å²	51	83.7 Å²	83.7	22%	0.224	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-65.5	153.9	168.6	-58.5	-33.2	0	0	0	110	A139 L143 I170 Q174 W178	F135-A139 HydrophobicContact CB-CB 4.15Å; F135-L143 HydrophobicContact CD2-CD1 3.75Å; F135-L143 HydrophobicContact CE2-CD1 3.91Å; F135-I170 HydrophobicContact CD1-CG2 4.13Å; F135-I170 HydrophobicContact CD2-CD1 4.28Å; F135-I170 HydrophobicContact CE1-CD1 4.33Å; F135-I170 HydrophobicContact CE1-CG2 4.26Å; F135-I170 HydrophobicContact CE2-CD1 3.91Å; F135-I170 HydrophobicContact CZ-CD1 3.99Å; F135-Q174 HydrophobicContact CE1-CB 4.22Å; F135-Q174 HydrophobicContact CE1-CG 4.35Å; F135-Q174 HydrophobicContact CZ-CB 3.84Å; F135-Q174 HydrophobicContact CZ-CG 4.35Å; F135-W178 AromaticContact CD2-CD1 3.62Å; F135-W178 HydrophobicContact CD2-CG 4.43Å; F135-W178 HydrophobicContact CE2-CB 3.9Å; F135-W178 AromaticContact CE2-CD1 3.31Å; F135-W178 AromaticContact CE2-CG 3.84Å; F135-W178 HydrophobicContact CE2-CG 3.84Å
136	N	88.4	Confident	84.1	Confident	95 Å²	95	84.5 Å²	84.5	51%	0.508	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61.3	163.3	173.1	70.4	34.5	0	0	0	110.3	Q138 A139 T140	N136-Q138 VanDerWaalsContact C-N 3.31Å; N136-Q138 PolarHBondContact O-N 3.22Å; N136-Q138 PolarHBondContact OD1-N 3.39Å; N136-A139 PolarHBondContact O-N 2.92Å; N136-A139 WeakPolarHBondContact OD1-CB 3.27Å; N136-A139 PolarHBondContact OD1-N 3.36Å; N136-T140 WeakPolarHBondContact O-CB 3.5Å; N136-T140 PolarHBondContact O-N 2.91Å; N136-T140 PolarHBondContact O-OG1 3.17Å
137	K	90	Very high	84.8	Confident	178 Å²	178	81.2 Å²	81.2	77%	0.774	37%	0.37	S	S	*	.	H	α-helix	trans	-60.1	-42.3	-174.8	-172	-179.6	176.1	-173.7	0	111.7	T140 E141	K137-T140 PolarHBondContact O-N 2.97Å; K137-E141 WeakPolarHBondContact O-CB 3.44Å; K137-E141 PolarHBondContact O-N 3.12Å
138	Q	92.3	Very high	85.4	Confident	132 Å²	132	78.8 Å²	78.8	62%	0.617	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-49.9	-179.4	-175.8	-177.1	-1.6	0	0	112.2	N136 T140 E141 I142	N136-Q138 VanDerWaalsContact C-N 3.31Å; N136-Q138 PolarHBondContact O-N 3.22Å; N136-Q138 PolarHBondContact OD1-N 3.39Å; Q138-T140 VanDerWaalsContact C-N 3.28Å; Q138-T140 PolarHBondContact O-N 3.5Å; Q138-E141 PolarHBondContact O-N 2.97Å; Q138-E141 VanDerWaalsContact O-N 3.14Å; Q138-I142 HydrophobicContact CG-CD1 4.01Å; Q138-I142 WeakPolarHBondContact O-CG1 3.35Å; Q138-I142 PolarHBondContact O-N 3.28Å
139	A	92.6	Very high	86.2	Confident	2 Å²	2	80.5 Å²	80.5	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-42.3	175.9	0	0	0	0	0	111.1	F135 N136 E141 I142 L143 C168	F135-A139 HydrophobicContact CB-CB 4.15Å; N136-A139 PolarHBondContact O-N 2.92Å; N136-A139 WeakPolarHBondContact OD1-CB 3.27Å; N136-A139 PolarHBondContact OD1-N 3.36Å; A139-E141 VanDerWaalsContact C-N 3.34Å; A139-E141 PolarHBondContact O-N 3.41Å; A139-I142 PolarHBondContact O-N 3.32Å; A139-L143 WeakPolarHBondContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CD1 3.3Å; A139-L143 WeakPolarHBondContact O-CG 3.25Å; A139-L143 PolarHBondContact O-N 3.38Å; A139-C168 HydrophobicContact CB-CB 3.64Å
140	T	93.9	Very high	87.2	Confident	42 Å²	42	79.9 Å²	79.9	26%	0.258	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-39.3	176.5	-56.4	0	0	0	0	111.9	N136 K137 Q138 N144	N136-T140 WeakPolarHBondContact O-CB 3.5Å; N136-T140 PolarHBondContact O-N 2.91Å; N136-T140 PolarHBondContact O-OG1 3.17Å; K137-T140 PolarHBondContact O-N 2.97Å; Q138-T140 VanDerWaalsContact C-N 3.28Å; Q138-T140 PolarHBondContact O-N 3.5Å; T140-N144 WeakPolarHBondContact O-CB 3.29Å; T140-N144 VanDerWaalsContact O-CG 3.27Å; T140-N144 PolarHBondContact O-N 3.24Å; T140-N144 PolarHBondContact O-ND2 3.36Å
141	E	94	Very high	88.1	Confident	71 Å²	71	75.7 Å²	75.7	33%	0.332	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-46.1	178.1	-167.5	154.2	-145.5	0	0	111.3	K137 Q138 A139 L143 N144 E145 Y200 K203	K137-E141 WeakPolarHBondContact O-CB 3.44Å; K137-E141 PolarHBondContact O-N 3.12Å; Q138-E141 PolarHBondContact O-N 2.97Å; Q138-E141 VanDerWaalsContact O-N 3.14Å; A139-E141 VanDerWaalsContact C-N 3.34Å; A139-E141 PolarHBondContact O-N 3.41Å; E141-L143 PolarHBondContact O-N 2.95Å; E141-N144 PolarHBondContact O-N 3.28Å; E141-E145 WeakPolarHBondContact O-CB 3.37Å; E141-E145 PolarHBondContact O-N 2.87Å; E141-Y200 HydrophobicContact CG-CE1 4.3Å; E141-K203 IonicContact OE1-NZ 2.67Å; E141-K203 PolarHBondContact OE1-NZ 2.92Å
142	I	94.6	Very high	89.3	Confident	35 Å²	35	73.4 Å²	73.4	18%	0.179	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-46.6	175.5	-66.6	163.7	0	0	0	111.3	Q138 A139 E145 Y146 L164 K167	Q138-I142 HydrophobicContact CG-CD1 4.01Å; Q138-I142 WeakPolarHBondContact O-CG1 3.35Å; Q138-I142 PolarHBondContact O-N 3.28Å; A139-I142 PolarHBondContact O-N 3.32Å; I142-E145 PolarHBondContact O-N 3.37Å; I142-Y146 PolarHBondContact O-N 3.45Å; I142-Y146 VanDerWaalsContact O-N 3.09Å; I142-L164 HydrophobicContact CG2-CD2 3.79Å; I142-K167 HydrophobicContact CD1-CB 4.35Å; I142-K167 HydrophobicContact CG2-CB 4.4Å
143	L	96	Very high	90.7	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-39.5	179.2	-68.2	168.9	0	0	0	112.1	F135 A139 E141 F147 L164 I170 V175 W178 F179	F135-L143 HydrophobicContact CD2-CD1 3.75Å; F135-L143 HydrophobicContact CE2-CD1 3.91Å; A139-L143 WeakPolarHBondContact O-CB 3.31Å; A139-L143 WeakPolarHBondContact O-CD1 3.3Å; A139-L143 WeakPolarHBondContact O-CG 3.25Å; A139-L143 PolarHBondContact O-N 3.38Å; E141-L143 PolarHBondContact O-N 2.95Å; L143-F147 WeakPolarHBondContact O-CB 3.41Å; L143-F147 PolarHBondContact O-N 2.94Å; L143-L164 HydrophobicContact CD2-CB 4.36Å; L143-I170 HydrophobicContact CD1-CD1 4.03Å; L143-V175 HydrophobicContact CD2-CG1 4.16Å; L143-V175 HydrophobicContact CD2-CG2 4.41Å; L143-W178 HydrophobicContact CB-CD2 4.05Å; L143-W178 HydrophobicContact CB-CE3 3.93Å; L143-W178 HydrophobicContact CB-CH2 3.71Å; L143-W178 HydrophobicContact CB-CZ2 3.79Å; L143-W178 HydrophobicContact CB-CZ3 3.78Å; L143-W178 HydrophobicContact CD1-CD2 3.89Å; L143-W178 HydrophobicContact CD1-CE3 4.41Å; L143-W178 HydrophobicContact CD1-CG 3.93Å; L143-W178 HydrophobicContact CG-CD2 4.46Å; L143-F179 HydrophobicContact CD2-CD2 4.48Å; L143-F179 HydrophobicContact CD2-CE2 3.69Å; L143-F179 HydrophobicContact CD2-CZ 4.43Å
144	N	94.9	Very high	91.8	Very high	13 Å²	13	65 Å²	65	7%	0.07	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-41.8	175.7	-78	-42.2	0	0	0	112	T140 E141 Y146 F147 Y148 W178 K182 Y200	T140-N144 WeakPolarHBondContact O-CB 3.29Å; T140-N144 VanDerWaalsContact O-CG 3.27Å; T140-N144 PolarHBondContact O-N 3.24Å; T140-N144 PolarHBondContact O-ND2 3.36Å; E141-N144 PolarHBondContact O-N 3.28Å; N144-Y146 PolarHBondContact O-N 3.24Å; N144-F147 PolarHBondContact O-N 3.01Å; N144-Y148 HydrophobicContact CB-CD2 4.12Å; N144-Y148 HydrophobicContact CB-CE2 4.08Å; N144-Y148 WeakPolarHBondContact O-CB 3.23Å; N144-Y148 WeakPolarHBondContact O-CD2 3.35Å; N144-Y148 PolarHBondContact O-N 3.43Å; N144-W178 WeakPolarHBondContact OD1-CH2 3.31Å; N144-W178 WeakPolarHBondContact OD1-CZ2 3.47Å; N144-K182 WeakPolarHBondContact OD1-CE 3.48Å; N144-K182 PolarHBondContact OD1-NZ 3.06Å; N144-Y200 HydrophobicContact CB-CE1 3.75Å; N144-Y200 HydrophobicContact CB-CE2 4.01Å; N144-Y200 VanDerWaalsContact CB-CZ 3.43Å; N144-Y200 VanDerWaalsContact CB-OH 3.32Å; N144-Y200 WeakPolarHBondContact CB-OH 3.45Å; N144-Y200 PolarHBondContact ND2-OH 3.04Å
145	E	94.8	Very high	92.6	Very high	100 Å²	100	65.8 Å²	65.8	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-58.1	-48	177.2	-177.6	-179.4	-174.8	0	0	110.9	E141 I142 Y148 S149	E141-E145 WeakPolarHBondContact O-CB 3.37Å; E141-E145 PolarHBondContact O-N 2.87Å; I142-E145 PolarHBondContact O-N 3.37Å; E145-Y148 PolarHBondContact O-N 3.27Å; E145-S149 WeakPolarHBondContact O-CB 3.2Å; E145-S149 PolarHBondContact O-N 3.11Å; E145-S149 PolarHBondContact O-OG 3.23Å
146	Y	95.4	Very high	92.9	Very high	49 Å²	49	63.9 Å²	63.9	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-47.4	174.6	-173	-81	0	0	0	111.7	I142 N144 Y148 S149 H150 P156 A160 L164 F179	I142-Y146 PolarHBondContact O-N 3.45Å; I142-Y146 VanDerWaalsContact O-N 3.09Å; N144-Y146 PolarHBondContact O-N 3.24Å; Y146-Y148 PolarHBondContact O-N 3.34Å; Y146-S149 WeakPolarHBondContact CA-OG 3.29Å; Y146-S149 PolarHBondContact O-N 2.87Å; Y146-S149 PolarHBondContact O-OG 3.47Å; Y146-H150 HydrophobicContact CE1-CB 4.36Å; Y146-H150 AromaticContact CE2-CE1 3.74Å; Y146-H150 AromaticContact CZ-CE1 4Å; Y146-H150 WeakPolarHBondContact O-CB 3.44Å; Y146-H150 PolarHBondContact O-N 2.97Å; Y146-H150 VanDerWaalsContact O-N 3.09Å; Y146-H150 PolarHBondContact O-ND1 3.34Å; Y146-P156 HydrophobicContact CE1-CB 3.71Å; Y146-P156 HydrophobicContact CE1-CG 4.32Å; Y146-A160 HydrophobicContact CE2-CB 4.38Å; Y146-L164 HydrophobicContact CD1-CD1 4.14Å; Y146-L164 HydrophobicContact CD2-CD1 4.08Å; Y146-L164 HydrophobicContact CD2-CD2 4.28Å; Y146-L164 HydrophobicContact CE2-CD1 4.44Å; Y146-L164 HydrophobicContact CG-CD1 3.92Å; Y146-L164 HydrophobicContact CG-CD2 4.29Å; Y146-F179 AromaticContact CD1-CE1 3.69Å; Y146-F179 HydrophobicContact CD1-CE1 3.69Å; Y146-F179 AromaticContact CD1-CZ 3.5Å; Y146-F179 HydrophobicContact CD1-CZ 3.5Å; Y146-F179 HydrophobicContact CE1-CE1 4.26Å; Y146-F179 HydrophobicContact CE1-CZ 4.25Å; Y146-F179 HydrophobicContact CG-CZ 4.2Å
147	F	95.4	Very high	93.2	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.009	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-44.8	-179.5	-176.1	-89.2	0	0	0	112.5	L143 N144 H150 L151 P154 W178 F179 K182 R183 Y186	L143-F147 WeakPolarHBondContact O-CB 3.41Å; L143-F147 PolarHBondContact O-N 2.94Å; N144-F147 PolarHBondContact O-N 3.01Å; F147-H150 CarbonylContact O-C 3.4Å; F147-H150 PolarHBondContact O-N 3.42Å; F147-L151 HydrophobicContact CD1-CD2 4.14Å; F147-L151 HydrophobicContact CE1-CD2 3.71Å; F147-L151 HydrophobicContact CZ-CD2 4.5Å; F147-L151 PolarHBondContact O-N 3.04Å; F147-P154 HydrophobicContact CD2-CB 3.83Å; F147-P154 HydrophobicContact CE2-CB 3.61Å; F147-P154 HydrophobicContact CE2-CG 4.2Å; F147-P154 HydrophobicContact CZ-CB 4.24Å; F147-W178 HydrophobicContact CB-CH2 4.32Å; F147-W178 HydrophobicContact CB-CZ3 4.17Å; F147-W178 HydrophobicContact CD2-CZ3 4.42Å; F147-F179 HydrophobicContact CB-CE1 3.98Å; F147-F179 AromaticContact CD2-CD1 3.88Å; F147-F179 HydrophobicContact CD2-CD1 3.88Å; F147-F179 AromaticContact CD2-CE1 3.93Å; F147-F179 HydrophobicContact CD2-CE1 3.93Å; F147-F179 HydrophobicContact CG-CE1 4.48Å; F147-K182 HydrophobicContact CD1-CG 4Å; F147-K182 HydrophobicContact CD2-CB 4.23Å; F147-K182 HydrophobicContact CD2-CG 3.65Å; F147-K182 HydrophobicContact CE1-CG 3.97Å; F147-K182 HydrophobicContact CE2-CB 4.06Å; F147-K182 HydrophobicContact CE2-CG 3.61Å; F147-K182 HydrophobicContact CG-CG 3.86Å; F147-K182 HydrophobicContact CZ-CG 3.78Å; F147-R183 HydrophobicContact CE2-CG 3.77Å; F147-R183 HydrophobicContact CZ-CG 4.37Å; F147-Y186 AromaticContact CE1-CD2 3.96Å; F147-Y186 HydrophobicContact CE1-CD2 3.96Å; F147-Y186 HydrophobicContact CE1-CG 4.12Å; F147-Y186 HydrophobicContact CZ-CD2 4.47Å; F147-Y186 HydrophobicContact CZ-CG 4.17Å
148	Y	93.7	Very high	93.4	Very high	20 Å²	20	59 Å²	59	8%	0.078	31%	0.31	C	S	.	.	H	α-helix	trans	-76.7	-32.1	-176.7	-69.7	-54	0	0	0	113	N144 E145 Y146 H150 L151 K182 Y186 E196 A197 Y200	N144-Y148 HydrophobicContact CB-CD2 4.12Å; N144-Y148 HydrophobicContact CB-CE2 4.08Å; N144-Y148 WeakPolarHBondContact O-CB 3.23Å; N144-Y148 WeakPolarHBondContact O-CD2 3.35Å; N144-Y148 PolarHBondContact O-N 3.43Å; E145-Y148 PolarHBondContact O-N 3.27Å; Y146-Y148 PolarHBondContact O-N 3.34Å; Y148-H150 PolarHBondContact O-N 3.48Å; Y148-L151 HydrophobicContact CD1-CD1 4.15Å; Y148-L151 HydrophobicContact CD1-CD2 4Å; Y148-L151 HydrophobicContact CD1-CG 4.21Å; Y148-L151 HydrophobicContact CE1-CD2 4.5Å; Y148-L151 WeakPolarHBondContact O-CG 3.27Å; Y148-K182 WeakPolarHBondContact OH-CE 3.47Å; Y148-K182 PolarHBondContact OH-NZ 2.92Å; Y148-Y186 HydrophobicContact CE1-CD2 4.44Å; Y148-Y186 HydrophobicContact CE1-CE2 4.36Å; Y148-E196 HydrophobicContact CE2-CB 4.26Å; Y148-E196 WeakPolarHBondContact OH-CB 3.44Å; Y148-E196 PolarHBondContact OH-OE2 3.23Å; Y148-A197 HydrophobicContact CD1-CB 3.65Å; Y148-A197 HydrophobicContact CE1-CB 3.93Å; Y148-A197 HydrophobicContact CG-CB 4.38Å; Y148-Y200 HydrophobicContact CD2-CD1 4.27Å; Y148-Y200 AromaticContact CD2-CD2 3.35Å; Y148-Y200 HydrophobicContact CD2-CD2 3.35Å; Y148-Y200 AromaticContact CD2-CE2 3.87Å; Y148-Y200 HydrophobicContact CD2-CE2 3.87Å; Y148-Y200 AromaticContact CD2-CG 3.59Å; Y148-Y200 HydrophobicContact CD2-CG 3.59Å; Y148-Y200 AromaticContact CE2-CD2 3.51Å; Y148-Y200 HydrophobicContact CE2-CD2 3.51Å; Y148-Y200 AromaticContact CE2-CE2 3.69Å; Y148-Y200 HydrophobicContact CE2-CE2 3.69Å; Y148-Y200 HydrophobicContact CE2-CG 4.24Å; Y148-Y200 HydrophobicContact CG-CD2 4.41Å; Y148-Y200 HydrophobicContact CG-CG 4.42Å
149	S	91.2	Very high	93.6	Very high	79 Å²	79	59.3 Å²	59.3	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-69	-21.4	170.7	53.5	0	0	0	0	113.3	E145 Y146	E145-S149 WeakPolarHBondContact O-CB 3.2Å; E145-S149 PolarHBondContact O-N 3.11Å; E145-S149 PolarHBondContact O-OG 3.23Å; Y146-S149 WeakPolarHBondContact CA-OG 3.29Å; Y146-S149 PolarHBondContact O-N 2.87Å; Y146-S149 PolarHBondContact O-OG 3.47Å
150	H	92.5	Very high	93.7	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.347	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	34.6	-179.3	-61.7	74.5	0	0	0	112.6	Y146 F147 Y148 S152 N153 P154	Y146-H150 HydrophobicContact CE1-CB 4.36Å; Y146-H150 AromaticContact CE2-CE1 3.74Å; Y146-H150 AromaticContact CZ-CE1 4Å; Y146-H150 WeakPolarHBondContact O-CB 3.44Å; Y146-H150 PolarHBondContact O-N 2.97Å; Y146-H150 VanDerWaalsContact O-N 3.09Å; Y146-H150 PolarHBondContact O-ND1 3.34Å; F147-H150 CarbonylContact O-C 3.4Å; F147-H150 PolarHBondContact O-N 3.42Å; Y148-H150 PolarHBondContact O-N 3.48Å; H150-S152 PolarHBondContact O-N 3.44Å; H150-N153 CarbonylContact O-C 3.38Å; H150-N153 PolarHBondContact O-N 2.91Å; H150-P154 WeakPolarHBondContact O-CA 3.44Å; H150-P154 WeakPolarHBondContact O-CD 3.48Å
151	L	90.8	Very high	93.8	Very high	55 Å²	55	59.9 Å²	59.9	29%	0.288	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-177.5	-85	172.1	0	0	0	114.4	F147 Y148 N153 Y186 A197	F147-L151 HydrophobicContact CD1-CD2 4.14Å; F147-L151 HydrophobicContact CE1-CD2 3.71Å; F147-L151 HydrophobicContact CZ-CD2 4.5Å; F147-L151 PolarHBondContact O-N 3.04Å; Y148-L151 HydrophobicContact CD1-CD1 4.15Å; Y148-L151 HydrophobicContact CD1-CD2 4Å; Y148-L151 HydrophobicContact CD1-CG 4.21Å; Y148-L151 HydrophobicContact CE1-CD2 4.5Å; Y148-L151 WeakPolarHBondContact O-CG 3.27Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 3.24Å; L151-Y186 HydrophobicContact CD2-CD2 4.35Å; L151-Y186 HydrophobicContact CD2-CE1 4.22Å; L151-Y186 HydrophobicContact CD2-CE2 3.81Å; L151-A197 HydrophobicContact CD1-CB 3.88Å
152	S	87.9	Confident	94	Very high	126 Å²	126	61.9 Å²	61.9	88%	0.881	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.7	177	55.3	0	0	0	0	112.4	H150	H150-S152 PolarHBondContact O-N 3.44Å
153	N	91.1	Very high	94.1	Very high	101 Å²	101	64.9 Å²	64.9	54%	0.54	34%	0.335	S	S	.	.			trans	-146.8	77.8	178.6	-173.3	26.5	0	0	0	111.9	H150 L151 Y155	H150-N153 CarbonylContact O-C 3.38Å; H150-N153 PolarHBondContact O-N 2.91Å; L151-N153 VanDerWaalsContact C-N 3.3Å; L151-N153 PolarHBondContact O-N 3.24Å; N153-Y155 PolarHBondContact O-N 2.93Å; N153-Y155 WeakPolarHBondContact OD1-CD2 3.22Å
154	P	91.1	Very high	94.1	Very high	16 Å²	16	65.2 Å²	65.2	10%	0.104	34%	0.337	C	S	.	.			trans	-83.4	50.5	-173.5	32.6	-34.3	0	0	0	112.2	F147 H150 R183	F147-P154 HydrophobicContact CD2-CB 3.83Å; F147-P154 HydrophobicContact CE2-CB 3.61Å; F147-P154 HydrophobicContact CE2-CG 4.2Å; F147-P154 HydrophobicContact CZ-CB 4.24Å; H150-P154 WeakPolarHBondContact O-CA 3.44Å; H150-P154 WeakPolarHBondContact O-CD 3.48Å; P154-R183 HydrophobicContact CB-CG 4.34Å; P154-R183 HydrophobicContact CG-CG 3.96Å; P154-R183 PolarHBondContact O-NH1 3.17Å
155	Y	95.3	Very high	94.1	Very high	140 Å²	140	65 Å²	65	55%	0.549	34%	0.336	S	S	.	.			trans	-123.8	86.6	178.3	-67.2	-92.8	0	0	0	108.7	N153 S157 R183	N153-Y155 PolarHBondContact O-N 2.93Å; N153-Y155 WeakPolarHBondContact OD1-CD2 3.22Å; Y155-S157 PolarHBondContact O-N 3.3Å; Y155-R183 VanDerWaalsContact CE1-NE 3.3Å; Y155-R183 VanDerWaalsContact CZ-NE 3.32Å; Y155-R183 PolarHBondContact OH-NE 3.46Å
156	P	94.5	Very high	94.2	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.071	35%	0.353	C	S	.	.			trans	-59	139.1	177.8	23	-32.1	0	0	0	110.6	Y146 A160 K161 L164 F179	Y146-P156 HydrophobicContact CE1-CB 3.71Å; Y146-P156 HydrophobicContact CE1-CG 4.32Å; P156-A160 HydrophobicContact CB-CB 3.91Å; P156-K161 HydrophobicContact CB-CG 4Å; P156-K161 HydrophobicContact CG-CG 3.85Å; P156-K161 WeakPolarHBondContact O-CE 3.36Å; P156-L164 HydrophobicContact CB-CD1 4.48Å; P156-F179 HydrophobicContact CG-CD1 4.16Å; P156-F179 HydrophobicContact CG-CD2 4.01Å; P156-F179 HydrophobicContact CG-CE1 4.29Å; P156-F179 HydrophobicContact CG-CE2 4.14Å; P156-F179 HydrophobicContact CG-CG 4.03Å; P156-F179 HydrophobicContact CG-CZ 4.3Å
157	S	95.9	Very high	94.1	Very high	69 Å²	69	72.6 Å²	72.6	48%	0.483	37%	0.369	S	S	.	.			trans	-61.4	167	169.2	63.5	0	0	0	0	110.7	Y155 E159 A160 K161	Y155-S157 PolarHBondContact O-N 3.3Å; S157-E159 VanDerWaalsContact C-N 3.33Å; S157-E159 PolarHBondContact O-N 2.96Å; S157-A160 PolarHBondContact O-N 3.37Å; S157-A160 WeakPolarHBondContact OG-CB 3.28Å; S157-A160 PolarHBondContact OG-N 3.44Å; S157-K161 WeakPolarHBondContact O-CG 3.32Å; S157-K161 PolarHBondContact O-N 2.96Å
158	E	94.2	Very high	94	Very high	102 Å²	102	72.9 Å²	72.9	48%	0.477	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-45.1	-179.8	-159	58.2	-155.1	0	0	111.8	A160 K161 E162	E158-A160 PolarHBondContact O-N 3.44Å; E158-K161 WeakPolarHBondContact O-CB 3.35Å; E158-K161 PolarHBondContact O-N 2.92Å; E158-K161 VanDerWaalsContact O-N 3.13Å; E158-K161 IonicContact OE2-NZ 2.79Å; E158-K161 PolarHBondContact OE2-NZ 3.48Å; E158-E162 PolarHBondContact O-N 3.49Å
159	E	95.6	Very high	94	Very high	137 Å²	137	75.4 Å²	75.4	64%	0.64	40%	0.403	S	S	*	.	H	α-helix	trans	-57.5	-44.4	173.4	-175	178.1	-162.2	0	0	112.4	S157 K161 E162 E163	S157-E159 VanDerWaalsContact C-N 3.33Å; S157-E159 PolarHBondContact O-N 2.96Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 3.42Å; E159-E162 WeakPolarHBondContact O-CB 3.28Å; E159-E162 PolarHBondContact O-N 2.9Å; E159-E163 PolarHBondContact O-N 2.72Å
160	A	95.6	Very high	94.1	Very high	14 Å²	14	73 Å²	73	12%	0.116	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-35.1	177.8	0	0	0	0	0	112.3	Y146 P156 S157 E158 L164	Y146-A160 HydrophobicContact CE2-CB 4.38Å; P156-A160 HydrophobicContact CB-CB 3.91Å; S157-A160 PolarHBondContact O-N 3.37Å; S157-A160 WeakPolarHBondContact OG-CB 3.28Å; S157-A160 PolarHBondContact OG-N 3.44Å; E158-A160 PolarHBondContact O-N 3.44Å; A160-L164 WeakPolarHBondContact O-CB 3.48Å; A160-L164 WeakPolarHBondContact O-CD1 3.46Å; A160-L164 WeakPolarHBondContact O-CG 3.5Å; A160-L164 PolarHBondContact O-N 3.13Å
161	K	96.4	Very high	94.2	Very high	43 Å²	43	73.1 Å²	73.1	19%	0.187	39%	0.39	C	S	.	.	H	α-helix	trans	-68.1	-38.7	174.6	-64.1	171.2	-163.4	161.2	0	111.7	P156 S157 E158 E159 L164 A165 V172 V175	P156-K161 HydrophobicContact CB-CG 4Å; P156-K161 HydrophobicContact CG-CG 3.85Å; P156-K161 WeakPolarHBondContact O-CE 3.36Å; S157-K161 WeakPolarHBondContact O-CG 3.32Å; S157-K161 PolarHBondContact O-N 2.96Å; E158-K161 WeakPolarHBondContact O-CB 3.35Å; E158-K161 PolarHBondContact O-N 2.92Å; E158-K161 VanDerWaalsContact O-N 3.13Å; E158-K161 IonicContact OE2-NZ 2.79Å; E158-K161 PolarHBondContact OE2-NZ 3.48Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 3.42Å; K161-L164 PolarHBondContact O-N 2.91Å; K161-A165 WeakPolarHBondContact O-CB 3.39Å; K161-A165 PolarHBondContact O-N 3.24Å; K161-V172 HydrophobicContact CB-CG1 3.97Å; K161-V172 HydrophobicContact CD-CG1 4.32Å; K161-V175 HydrophobicContact CB-CG1 4.21Å; K161-V175 HydrophobicContact CG-CG1 4.22Å
162	E	96.7	Very high	94.3	Very high	113 Å²	113	72.6 Å²	72.6	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-44.4	175.4	-71.1	179.4	179.6	0	0	111.1	E158 E159 A165 K166 V172	E158-E162 PolarHBondContact O-N 3.49Å; E159-E162 WeakPolarHBondContact O-CB 3.28Å; E159-E162 PolarHBondContact O-N 2.9Å; E162-A165 PolarHBondContact O-N 3.26Å; E162-K166 WeakPolarHBondContact O-CB 3.4Å; E162-K166 PolarHBondContact O-N 3.47Å; E162-V172 HydrophobicContact CG-CG2 4.11Å
163	E	96.4	Very high	94.5	Very high	97 Å²	97	70.1 Å²	70.1	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-46.9	174.4	-73.8	-162.4	-178.2	0	0	112.8	E159 A165 K166 K167	E159-E163 PolarHBondContact O-N 2.72Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.13Å; E163-K166 PolarHBondContact O-N 3.46Å; E163-K167 WeakPolarHBondContact O-CB 3.37Å; E163-K167 VanDerWaalsContact O-CG 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.47Å; E163-K167 PolarHBondContact O-N 3.32Å; E163-K167 IonicContact OE2-NZ 2.61Å; E163-K167 PolarHBondContact OE2-NZ 2.83Å
164	L	96.3	Very high	94.6	Very high	8 Å²	8	69 Å²	69	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-41.5	179.5	-73.2	167.8	0	0	0	111	I142 L143 Y146 P156 A160 K161 K166 K167 C168 V175 F179	I142-L164 HydrophobicContact CG2-CD2 3.79Å; L143-L164 HydrophobicContact CD2-CB 4.36Å; Y146-L164 HydrophobicContact CD1-CD1 4.14Å; Y146-L164 HydrophobicContact CD2-CD1 4.08Å; Y146-L164 HydrophobicContact CD2-CD2 4.28Å; Y146-L164 HydrophobicContact CE2-CD1 4.44Å; Y146-L164 HydrophobicContact CG-CD1 3.92Å; Y146-L164 HydrophobicContact CG-CD2 4.29Å; P156-L164 HydrophobicContact CB-CD1 4.48Å; A160-L164 WeakPolarHBondContact O-CB 3.48Å; A160-L164 WeakPolarHBondContact O-CD1 3.46Å; A160-L164 WeakPolarHBondContact O-CG 3.5Å; A160-L164 PolarHBondContact O-N 3.13Å; K161-L164 PolarHBondContact O-N 2.91Å; L164-K166 VanDerWaalsContact C-N 3.35Å; L164-K166 PolarHBondContact O-N 3.15Å; L164-K167 PolarHBondContact O-N 2.87Å; L164-C168 WeakPolarHBondContact O-CB 3.49Å; L164-C168 PolarHBondContact O-N 3.31Å; L164-C168 PolarHBondContact O-SG 3.48Å; L164-V175 HydrophobicContact CB-CG1 4.18Å; L164-V175 HydrophobicContact CB-CG2 4.4Å; L164-V175 HydrophobicContact CD1-CG1 4.34Å; L164-F179 HydrophobicContact CD1-CE2 3.78Å; L164-F179 HydrophobicContact CD1-CZ 3.94Å
165	A	95.5	Very high	94.8	Very high	7 Å²	7	68.2 Å²	68.2	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-48.7	174.2	0	0	0	0	0	110.8	K161 E162 E163 C168 G169 I170 V172 V175	K161-A165 WeakPolarHBondContact O-CB 3.39Å; K161-A165 PolarHBondContact O-N 3.24Å; E162-A165 PolarHBondContact O-N 3.26Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.13Å; A165-C168 PolarHBondContact O-N 2.87Å; A165-G169 PolarHBondContact O-N 3.45Å; A165-I170 CarbonylContact C-O 3.44Å; A165-I170 WeakPolarHBondContact CA-O 3.4Å; A165-I170 VanDerWaalsContact CB-O 3.23Å; A165-I170 WeakPolarHBondContact CB-O 3.42Å; A165-I170 PolarHBondContact O-N 3.07Å; A165-V172 HydrophobicContact CB-CG2 3.87Å; A165-V175 HydrophobicContact CB-CG2 3.94Å
166	K	95.9	Very high	94.8	Very high	187 Å²	187	63.6 Å²	63.6	81%	0.813	35%	0.346	S	S	*	.	H	α-helix	trans	-62.3	-46.9	177.3	-171	178.6	-178.7	179.9	0	112.3	E162 E163 L164 C168 G169	E162-K166 WeakPolarHBondContact O-CB 3.4Å; E162-K166 PolarHBondContact O-N 3.47Å; E163-K166 PolarHBondContact O-N 3.46Å; L164-K166 VanDerWaalsContact C-N 3.35Å; L164-K166 PolarHBondContact O-N 3.15Å; K166-C168 VanDerWaalsContact C-N 3.32Å; K166-C168 PolarHBondContact O-N 2.72Å; K166-G169 PolarHBondContact O-N 2.65Å
167	K	94.6	Very high	94.8	Very high	123 Å²	123	67.6 Å²	67.6	54%	0.535	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-35.1	179.5	-73.2	167.5	178.7	159	0	112.5	I142 E163 L164	I142-K167 HydrophobicContact CD1-CB 4.35Å; I142-K167 HydrophobicContact CG2-CB 4.4Å; E163-K167 WeakPolarHBondContact O-CB 3.37Å; E163-K167 VanDerWaalsContact O-CG 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.47Å; E163-K167 PolarHBondContact O-N 3.32Å; E163-K167 IonicContact OE2-NZ 2.61Å; E163-K167 PolarHBondContact OE2-NZ 2.83Å; L164-K167 PolarHBondContact O-N 2.87Å
168	C	93.8	Very high	94.8	Very high	8 Å²	8	65.6 Å²	65.6	5%	0.054	35%	0.349	C	S	.	.	H	α-helix	trans	-90	-12.4	-178	-65.4	0	0	0	0	113.8	A139 L164 A165 K166 I170	A139-C168 HydrophobicContact CB-CB 3.64Å; L164-C168 WeakPolarHBondContact O-CB 3.49Å; L164-C168 PolarHBondContact O-N 3.31Å; L164-C168 PolarHBondContact O-SG 3.48Å; A165-C168 PolarHBondContact O-N 2.87Å; K166-C168 VanDerWaalsContact C-N 3.32Å; K166-C168 PolarHBondContact O-N 2.72Å; C168-I170 VanDerWaalsContact C-N 3.33Å; C168-I170 HydrophobicContact CB-CD1 3.88Å; C168-I170 HydrophobicContact CB-CG1 3.73Å; C168-I170 HydrophobicContact CB-CG2 4.48Å
169	G	93.2	Very high	94.9	Very high	72 Å²	72	60.9 Å²	60.9	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	35.1	-173	0	0	0	0	0	113.1	A165 K166	A165-G169 PolarHBondContact O-N 3.45Å; K166-G169 PolarHBondContact O-N 2.65Å
170	I	93.6	Very high	94.9	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.149	31%	0.305	C	S	.	.	S	Bend	trans	-127.9	170.6	179.7	66.1	-178.2	0	0	0	110.2	F135 L143 A165 C168 Q174 V175	F135-I170 HydrophobicContact CD1-CG2 4.13Å; F135-I170 HydrophobicContact CD2-CD1 4.28Å; F135-I170 HydrophobicContact CE1-CD1 4.33Å; F135-I170 HydrophobicContact CE1-CG2 4.26Å; F135-I170 HydrophobicContact CE2-CD1 3.91Å; F135-I170 HydrophobicContact CZ-CD1 3.99Å; L143-I170 HydrophobicContact CD1-CD1 4.03Å; A165-I170 CarbonylContact C-O 3.44Å; A165-I170 WeakPolarHBondContact CA-O 3.4Å; A165-I170 VanDerWaalsContact CB-O 3.23Å; A165-I170 WeakPolarHBondContact CB-O 3.42Å; A165-I170 PolarHBondContact O-N 3.07Å; C168-I170 VanDerWaalsContact C-N 3.33Å; C168-I170 HydrophobicContact CB-CD1 3.88Å; C168-I170 HydrophobicContact CB-CG1 3.73Å; C168-I170 HydrophobicContact CB-CG2 4.48Å; I170-Q174 HydrophobicContact CB-CB 4.33Å; I170-Q174 HydrophobicContact CD1-CB 4.35Å; I170-Q174 HydrophobicContact CG1-CB 4.49Å; I170-V175 HydrophobicContact CD1-CG2 3.75Å; I170-V175 HydrophobicContact CG1-CG2 3.84Å
171	T	93.7	Very high	94.9	Very high	77 Å²	77	58.6 Å²	58.6	47%	0.472	32%	0.321	S	S	.	.			trans	-80.3	153.5	179.2	64.2	0	0	0	0	112.6	S173 Q174 V175	T171-S173 PolarHBondContact O-N 2.94Å; T171-Q174 WeakPolarHBondContact O-CB 3.11Å; T171-Q174 PolarHBondContact O-N 3.43Å; T171-Q174 WeakPolarHBondContact OG1-CB 3.14Å; T171-Q174 VanDerWaalsContact OG1-CD 3.3Å; T171-Q174 VanDerWaalsContact OG1-CG 3.24Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.44Å; T171-Q174 PolarHBondContact OG1-N 3.03Å; T171-Q174 PolarHBondContact OG1-OE1 2.91Å; T171-V175 PolarHBondContact O-N 3.33Å
172	V	92.7	Very high	94.8	Very high	44 Å²	44	57.1 Å²	57.1	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-57.2	-35.2	175	178.5	0	0	0	0	112	K161 E162 A165 V175 S176	K161-V172 HydrophobicContact CB-CG1 3.97Å; K161-V172 HydrophobicContact CD-CG1 4.32Å; E162-V172 HydrophobicContact CG-CG2 4.11Å; A165-V172 HydrophobicContact CB-CG2 3.87Å; V172-V175 PolarHBondContact O-N 3.2Å; V172-S176 WeakPolarHBondContact O-CB 3.4Å; V172-S176 PolarHBondContact O-N 3.44Å; V172-S176 PolarHBondContact O-OG 3.42Å
173	S	93.2	Very high	94.8	Very high	74 Å²	74	54.7 Å²	54.7	52%	0.517	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-42	174.3	-175.6	0	0	0	0	112.1	T171 V175 S176 N177	T171-S173 PolarHBondContact O-N 2.94Å; S173-V175 PolarHBondContact O-N 2.72Å; S173-S176 PolarHBondContact O-N 3.08Å; S173-N177 WeakPolarHBondContact O-CB 3.42Å; S173-N177 VanDerWaalsContact O-CG 3.29Å; S173-N177 PolarHBondContact O-N 2.94Å; S173-N177 PolarHBondContact O-ND2 2.9Å; S173-N177 VanDerWaalsContact O-ND2 3.12Å
174	Q	93.3	Very high	94.6	Very high	78 Å²	78	54.2 Å²	54.2	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-40.9	174.8	-78.9	166.2	-45.2	0	0	112	F135 I170 T171 W178	F135-Q174 HydrophobicContact CE1-CB 4.22Å; F135-Q174 HydrophobicContact CE1-CG 4.35Å; F135-Q174 HydrophobicContact CZ-CB 3.84Å; F135-Q174 HydrophobicContact CZ-CG 4.35Å; I170-Q174 HydrophobicContact CB-CB 4.33Å; I170-Q174 HydrophobicContact CD1-CB 4.35Å; I170-Q174 HydrophobicContact CG1-CB 4.49Å; T171-Q174 WeakPolarHBondContact O-CB 3.11Å; T171-Q174 PolarHBondContact O-N 3.43Å; T171-Q174 WeakPolarHBondContact OG1-CB 3.14Å; T171-Q174 VanDerWaalsContact OG1-CD 3.3Å; T171-Q174 VanDerWaalsContact OG1-CG 3.24Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.44Å; T171-Q174 PolarHBondContact OG1-N 3.03Å; T171-Q174 PolarHBondContact OG1-OE1 2.91Å; Q174-W178 VanDerWaalsContact O-CB 3.27Å; Q174-W178 WeakPolarHBondContact O-CB 3.28Å; Q174-W178 PolarHBondContact O-N 3.22Å
175	V	95.6	Very high	94.4	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.7	-51.1	172.3	178.4	0	0	0	0	110.3	L143 K161 L164 A165 I170 T171 V172 S173 N177 W178 F179	L143-V175 HydrophobicContact CD2-CG1 4.16Å; L143-V175 HydrophobicContact CD2-CG2 4.41Å; K161-V175 HydrophobicContact CB-CG1 4.21Å; K161-V175 HydrophobicContact CG-CG1 4.22Å; L164-V175 HydrophobicContact CB-CG1 4.18Å; L164-V175 HydrophobicContact CB-CG2 4.4Å; L164-V175 HydrophobicContact CD1-CG1 4.34Å; A165-V175 HydrophobicContact CB-CG2 3.94Å; I170-V175 HydrophobicContact CD1-CG2 3.75Å; I170-V175 HydrophobicContact CG1-CG2 3.84Å; T171-V175 PolarHBondContact O-N 3.33Å; V172-V175 PolarHBondContact O-N 3.2Å; S173-V175 PolarHBondContact O-N 2.72Å; V175-N177 VanDerWaalsContact C-N 3.35Å; V175-N177 PolarHBondContact O-N 3.24Å; V175-W178 WeakPolarHBondContact O-CB 3.37Å; V175-W178 PolarHBondContact O-N 2.91Å; V175-W178 VanDerWaalsContact O-N 3.11Å; V175-F179 HydrophobicContact CG1-CD2 3.7Å; V175-F179 HydrophobicContact CG1-CE2 3.76Å; V175-F179 WeakPolarHBondContact O-CD2 3.29Å; V175-F179 PolarHBondContact O-N 3.29Å
176	S	94.7	Very high	94.2	Very high	42 Å²	42	61.7 Å²	61.7	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-56.4	-47.3	179.9	-63.8	0	0	0	0	112.4	V172 S173 F179 G180	V172-S176 WeakPolarHBondContact O-CB 3.4Å; V172-S176 PolarHBondContact O-N 3.44Å; V172-S176 PolarHBondContact O-OG 3.42Å; S173-S176 PolarHBondContact O-N 3.08Å; S176-F179 PolarHBondContact O-N 3.08Å; S176-G180 PolarHBondContact O-N 2.95Å
177	N	94.4	Very high	93.9	Very high	96 Å²	96	60.6 Å²	60.6	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-39.3	177.3	-73.3	-34.7	0	0	0	112	S173 V175 N181	S173-N177 WeakPolarHBondContact O-CB 3.42Å; S173-N177 VanDerWaalsContact O-CG 3.29Å; S173-N177 PolarHBondContact O-N 2.94Å; S173-N177 PolarHBondContact O-ND2 2.9Å; S173-N177 VanDerWaalsContact O-ND2 3.12Å; V175-N177 VanDerWaalsContact C-N 3.35Å; V175-N177 PolarHBondContact O-N 3.24Å; N177-N181 WeakPolarHBondContact O-CB 3.43Å; N177-N181 VanDerWaalsContact O-CG 3.29Å; N177-N181 PolarHBondContact O-N 3.18Å; N177-N181 PolarHBondContact O-ND2 2.74Å
178	W	95.7	Very high	93.7	Very high	27 Å²	27	62.3 Å²	62.3	10%	0.102	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-48.3	177.6	-172.2	98.2	0	0	0	111.3	F135 L143 N144 F147 Q174 V175 G180 N181 K182	F135-W178 AromaticContact CD2-CD1 3.62Å; F135-W178 HydrophobicContact CD2-CG 4.43Å; F135-W178 HydrophobicContact CE2-CB 3.9Å; F135-W178 AromaticContact CE2-CD1 3.31Å; F135-W178 AromaticContact CE2-CG 3.84Å; F135-W178 HydrophobicContact CE2-CG 3.84Å; L143-W178 HydrophobicContact CB-CD2 4.05Å; L143-W178 HydrophobicContact CB-CE3 3.93Å; L143-W178 HydrophobicContact CB-CH2 3.71Å; L143-W178 HydrophobicContact CB-CZ2 3.79Å; L143-W178 HydrophobicContact CB-CZ3 3.78Å; L143-W178 HydrophobicContact CD1-CD2 3.89Å; L143-W178 HydrophobicContact CD1-CE3 4.41Å; L143-W178 HydrophobicContact CD1-CG 3.93Å; L143-W178 HydrophobicContact CG-CD2 4.46Å; N144-W178 WeakPolarHBondContact OD1-CH2 3.31Å; N144-W178 WeakPolarHBondContact OD1-CZ2 3.47Å; F147-W178 HydrophobicContact CB-CH2 4.32Å; F147-W178 HydrophobicContact CB-CZ3 4.17Å; F147-W178 HydrophobicContact CD2-CZ3 4.42Å; Q174-W178 VanDerWaalsContact O-CB 3.27Å; Q174-W178 WeakPolarHBondContact O-CB 3.28Å; Q174-W178 PolarHBondContact O-N 3.22Å; V175-W178 WeakPolarHBondContact O-CB 3.37Å; V175-W178 PolarHBondContact O-N 2.91Å; V175-W178 VanDerWaalsContact O-N 3.11Å; W178-G180 PolarHBondContact O-N 3.24Å; W178-N181 PolarHBondContact O-N 2.91Å; W178-K182 HydrophobicContact CD2-CB 4.45Å; W178-K182 HydrophobicContact CE3-CB 4Å; W178-K182 HydrophobicContact CE3-CG 4.48Å; W178-K182 HydrophobicContact CH2-CB 4.09Å; W178-K182 HydrophobicContact CH2-CD 3.71Å; W178-K182 HydrophobicContact CH2-CG 3.7Å; W178-K182 HydrophobicContact CZ2-CD 3.95Å; W178-K182 HydrophobicContact CZ2-CG 4.33Å; W178-K182 HydrophobicContact CZ3-CB 3.8Å; W178-K182 HydrophobicContact CZ3-CD 4.31Å; W178-K182 HydrophobicContact CZ3-CG 3.79Å; W178-K182 VanDerWaalsContact O-CB 3.3Å; W178-K182 WeakPolarHBondContact O-CB 3.25Å; W178-K182 PolarHBondContact O-N 3.23Å
179	F	96.8	Very high	93.4	Very high	3 Å²	3	65.7 Å²	65.7	1%	0.013	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-41.4	178.2	-87.1	-86	0	0	0	112.1	L143 Y146 F147 P156 L164 V175 S176 N181 K182 R183	L143-F179 HydrophobicContact CD2-CD2 4.48Å; L143-F179 HydrophobicContact CD2-CE2 3.69Å; L143-F179 HydrophobicContact CD2-CZ 4.43Å; Y146-F179 AromaticContact CD1-CE1 3.69Å; Y146-F179 HydrophobicContact CD1-CE1 3.69Å; Y146-F179 AromaticContact CD1-CZ 3.5Å; Y146-F179 HydrophobicContact CD1-CZ 3.5Å; Y146-F179 HydrophobicContact CE1-CE1 4.26Å; Y146-F179 HydrophobicContact CE1-CZ 4.25Å; Y146-F179 HydrophobicContact CG-CZ 4.2Å; F147-F179 HydrophobicContact CB-CE1 3.98Å; F147-F179 AromaticContact CD2-CD1 3.88Å; F147-F179 HydrophobicContact CD2-CD1 3.88Å; F147-F179 AromaticContact CD2-CE1 3.93Å; F147-F179 HydrophobicContact CD2-CE1 3.93Å; F147-F179 HydrophobicContact CG-CE1 4.48Å; P156-F179 HydrophobicContact CG-CD1 4.16Å; P156-F179 HydrophobicContact CG-CD2 4.01Å; P156-F179 HydrophobicContact CG-CE1 4.29Å; P156-F179 HydrophobicContact CG-CE2 4.14Å; P156-F179 HydrophobicContact CG-CG 4.03Å; P156-F179 HydrophobicContact CG-CZ 4.3Å; L164-F179 HydrophobicContact CD1-CE2 3.78Å; L164-F179 HydrophobicContact CD1-CZ 3.94Å; V175-F179 HydrophobicContact CG1-CD2 3.7Å; V175-F179 HydrophobicContact CG1-CE2 3.76Å; V175-F179 WeakPolarHBondContact O-CD2 3.29Å; V175-F179 PolarHBondContact O-N 3.29Å; S176-F179 PolarHBondContact O-N 3.08Å; F179-N181 PolarHBondContact O-N 3.49Å; F179-K182 PolarHBondContact O-N 2.86Å; F179-R183 WeakPolarHBondContact O-CG 3.44Å; F179-R183 PolarHBondContact O-N 3.48Å
180	G	95.7	Very high	92.8	Very high	18 Å²	18	66.9 Å²	66.9	19%	0.186	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-50.2	172.9	0	0	0	0	0	112.3	S176 W178 I184	S176-G180 PolarHBondContact O-N 2.95Å; W178-G180 PolarHBondContact O-N 3.24Å; G180-I184 WeakPolarHBondContact O-CG1 3.19Å; G180-I184 PolarHBondContact O-N 3.04Å
181	N	94.7	Very high	92.1	Very high	84 Å²	84	68.4 Å²	68.4	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-36.8	178.8	-73.6	-40.5	0	0	0	113.1	N177 W178 F179 R185	N177-N181 WeakPolarHBondContact O-CB 3.43Å; N177-N181 VanDerWaalsContact O-CG 3.29Å; N177-N181 PolarHBondContact O-N 3.18Å; N177-N181 PolarHBondContact O-ND2 2.74Å; W178-N181 PolarHBondContact O-N 2.91Å; F179-N181 PolarHBondContact O-N 3.49Å; N181-R185 WeakPolarHBondContact O-CB 3.44Å; N181-R185 WeakPolarHBondContact O-CG 3.44Å; N181-R185 PolarHBondContact O-N 3.34Å; N181-R185 PolarHBondContact O-NE 2.96Å
182	K	94.7	Very high	91.3	Very high	13 Å²	13	72 Å²	72	6%	0.057	37%	0.367	C	S	.	.	H	α-helix	trans	-66.5	-44.1	179.1	-173.7	75.6	-178	-168.1	0	110.6	N144 F147 Y148 W178 F179 I184 R185 Y186 E196	N144-K182 WeakPolarHBondContact OD1-CE 3.48Å; N144-K182 PolarHBondContact OD1-NZ 3.06Å; F147-K182 HydrophobicContact CD1-CG 4Å; F147-K182 HydrophobicContact CD2-CB 4.23Å; F147-K182 HydrophobicContact CD2-CG 3.65Å; F147-K182 HydrophobicContact CE1-CG 3.97Å; F147-K182 HydrophobicContact CE2-CB 4.06Å; F147-K182 HydrophobicContact CE2-CG 3.61Å; F147-K182 HydrophobicContact CG-CG 3.86Å; F147-K182 HydrophobicContact CZ-CG 3.78Å; Y148-K182 WeakPolarHBondContact OH-CE 3.47Å; Y148-K182 PolarHBondContact OH-NZ 2.92Å; W178-K182 HydrophobicContact CD2-CB 4.45Å; W178-K182 HydrophobicContact CE3-CB 4Å; W178-K182 HydrophobicContact CE3-CG 4.48Å; W178-K182 HydrophobicContact CH2-CB 4.09Å; W178-K182 HydrophobicContact CH2-CD 3.71Å; W178-K182 HydrophobicContact CH2-CG 3.7Å; W178-K182 HydrophobicContact CZ2-CD 3.95Å; W178-K182 HydrophobicContact CZ2-CG 4.33Å; W178-K182 HydrophobicContact CZ3-CB 3.8Å; W178-K182 HydrophobicContact CZ3-CD 4.31Å; W178-K182 HydrophobicContact CZ3-CG 3.79Å; W178-K182 VanDerWaalsContact O-CB 3.3Å; W178-K182 WeakPolarHBondContact O-CB 3.25Å; W178-K182 PolarHBondContact O-N 3.23Å; F179-K182 PolarHBondContact O-N 2.86Å; K182-I184 PolarHBondContact O-N 3.4Å; K182-R185 PolarHBondContact O-N 3.2Å; K182-Y186 WeakPolarHBondContact O-CB 3.49Å; K182-Y186 PolarHBondContact O-N 2.79Å; K182-E196 IonicContact NZ-OE2 3.1Å; K182-E196 PolarHBondContact NZ-OE2 3.41Å
183	R	95.4	Very high	90.7	Very high	62 Å²	62	71.4 Å²	71.4	23%	0.234	36%	0.361	C	S	.	.	H	α-helix	trans	-58.7	-45.2	174.6	-73.1	-167	-56.5	-89.9	-0.6	112.7	F147 P154 Y155 F179 R185 Y186 K187	F147-R183 HydrophobicContact CE2-CG 3.77Å; F147-R183 HydrophobicContact CZ-CG 4.37Å; P154-R183 HydrophobicContact CB-CG 4.34Å; P154-R183 HydrophobicContact CG-CG 3.96Å; P154-R183 PolarHBondContact O-NH1 3.17Å; Y155-R183 VanDerWaalsContact CE1-NE 3.3Å; Y155-R183 VanDerWaalsContact CZ-NE 3.32Å; Y155-R183 PolarHBondContact OH-NE 3.46Å; F179-R183 WeakPolarHBondContact O-CG 3.44Å; F179-R183 PolarHBondContact O-N 3.48Å; R183-R185 PolarHBondContact O-N 2.97Å; R183-Y186 PolarHBondContact O-N 3.24Å; R183-K187 WeakPolarHBondContact O-CB 3.49Å; R183-K187 PolarHBondContact O-N 3.34Å
184	I	93.6	Very high	89.9	Confident	86 Å²	86	71.7 Å²	71.7	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-44.8	177.9	-65.5	167.7	0	0	0	110.6	G180 K182 K188	G180-I184 WeakPolarHBondContact O-CG1 3.19Å; G180-I184 PolarHBondContact O-N 3.04Å; K182-I184 PolarHBondContact O-N 3.4Å; I184-K188 HydrophobicContact CG2-CD 4.14Å; I184-K188 WeakPolarHBondContact O-CB 3.4Å; I184-K188 WeakPolarHBondContact O-CG 3.4Å; I184-K188 PolarHBondContact O-N 3.49Å; I184-K188 VanDerWaalsContact O-N 3.14Å
185	R	92.4	Very high	89	Confident	131 Å²	131	74.4 Å²	74.4	49%	0.494	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-44.4	178.9	-77.1	-173.8	-92	-169.6	-4.3	112.4	N181 K182 R183 K188 N189 F193	N181-R185 WeakPolarHBondContact O-CB 3.44Å; N181-R185 WeakPolarHBondContact O-CG 3.44Å; N181-R185 PolarHBondContact O-N 3.34Å; N181-R185 PolarHBondContact O-NE 2.96Å; K182-R185 PolarHBondContact O-N 3.2Å; R183-R185 PolarHBondContact O-N 2.97Å; R185-K188 PolarHBondContact O-N 3.32Å; R185-N189 PolarHBondContact O-N 2.83Å; R185-F193 HydrophobicContact CB-CE2 4.13Å; R185-F193 HydrophobicContact CB-CZ 4.15Å; R185-F193 VanDerWaalsContact O-CE2 3.27Å; R185-F193 WeakPolarHBondContact O-CE2 3.38Å
186	Y	90.8	Very high	88.3	Confident	41 Å²	41	77.9 Å²	77.9	16%	0.161	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-52.3	176.7	-174.9	-93.3	0	0	0	110.8	F147 Y148 L151 K182 R183 K188 N189 I190 F193 Q194	F147-Y186 AromaticContact CE1-CD2 3.96Å; F147-Y186 HydrophobicContact CE1-CD2 3.96Å; F147-Y186 HydrophobicContact CE1-CG 4.12Å; F147-Y186 HydrophobicContact CZ-CD2 4.47Å; F147-Y186 HydrophobicContact CZ-CG 4.17Å; Y148-Y186 HydrophobicContact CE1-CD2 4.44Å; Y148-Y186 HydrophobicContact CE1-CE2 4.36Å; L151-Y186 HydrophobicContact CD2-CD2 4.35Å; L151-Y186 HydrophobicContact CD2-CE1 4.22Å; L151-Y186 HydrophobicContact CD2-CE2 3.81Å; K182-Y186 WeakPolarHBondContact O-CB 3.49Å; K182-Y186 PolarHBondContact O-N 2.79Å; R183-Y186 PolarHBondContact O-N 3.24Å; Y186-K188 VanDerWaalsContact C-N 3.27Å; Y186-K188 PolarHBondContact O-N 3.35Å; Y186-N189 CarbonylContact O-C 3.51Å; Y186-N189 PolarHBondContact O-N 2.52Å; Y186-N189 VanDerWaalsContact O-N 3.14Å; Y186-I190 HydrophobicContact CD1-CG1 4.33Å; Y186-I190 HydrophobicContact CE1-CG1 3.98Å; Y186-I190 PolarHBondContact O-N 3.08Å; Y186-F193 HydrophobicContact CD2-CB 3.4Å; Y186-F193 VanDerWaalsContact CD2-CB 3.4Å; Y186-F193 HydrophobicContact CD2-CG 4.14Å; Y186-F193 HydrophobicContact CE2-CB 3.7Å; Y186-F193 HydrophobicContact CG-CB 4.38Å; Y186-Q194 PolarHBondContact OH-OE1 3.02Å
187	K	90.2	Very high	87.6	Confident	165 Å²	165	76.2 Å²	76.2	72%	0.717	37%	0.372	S	S	*	.	H	α-helix	trans	-59.8	-35.5	179.8	-169.2	174.2	71.3	172.2	0	113.2	R183	R183-K187 WeakPolarHBondContact O-CB 3.49Å; R183-K187 PolarHBondContact O-N 3.34Å
188	K	90.1	Very high	87.1	Confident	158 Å²	158	76.4 Å²	76.4	69%	0.687	37%	0.373	S	S	*	.	H	α-helix	trans	-74.6	-23.3	179.9	-75.8	-178.1	177.9	-173.1	0	113.9	I184 R185 Y186	I184-K188 HydrophobicContact CG2-CD 4.14Å; I184-K188 WeakPolarHBondContact O-CB 3.4Å; I184-K188 WeakPolarHBondContact O-CG 3.4Å; I184-K188 PolarHBondContact O-N 3.49Å; I184-K188 VanDerWaalsContact O-N 3.14Å; R185-K188 PolarHBondContact O-N 3.32Å; Y186-K188 VanDerWaalsContact C-N 3.27Å; Y186-K188 PolarHBondContact O-N 3.35Å
189	N	86.1	Confident	86.5	Confident	79 Å²	79	79.4 Å²	79.4	42%	0.422	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	53.5	-174.1	-68.5	-73.8	0	0	0	112	R185 Y186 G191 K192 F193	R185-N189 PolarHBondContact O-N 2.83Å; Y186-N189 CarbonylContact O-C 3.51Å; Y186-N189 PolarHBondContact O-N 2.52Å; Y186-N189 VanDerWaalsContact O-N 3.14Å; N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 3.46Å; N189-K192 PolarHBondContact O-N 3.01Å; N189-F193 HydrophobicContact CB-CD2 3.84Å; N189-F193 HydrophobicContact CB-CE2 3.85Å; N189-F193 VanDerWaalsContact O-CD2 3.3Å; N189-F193 WeakPolarHBondContact O-CD2 3.29Å; N189-F193 PolarHBondContact O-N 2.97Å
190	I	82	Confident	85.9	Confident	98 Å²	98	81 Å²	81	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-50.3	-46	-174.7	-101.3	155.6	0	0	0	113	Y186 K192 F193 Q194	Y186-I190 HydrophobicContact CD1-CG1 4.33Å; Y186-I190 HydrophobicContact CE1-CG1 3.98Å; Y186-I190 PolarHBondContact O-N 3.08Å; I190-K192 PolarHBondContact O-N 3.07Å; I190-F193 PolarHBondContact O-N 2.74Å; I190-Q194 WeakPolarHBondContact O-CB 3.4Å; I190-Q194 PolarHBondContact O-N 2.92Å
191	G	78	Confident	85.3	Confident	60 Å²	60	83 Å²	83	62%	0.619	41%	0.411	S	S	*	.	H	α-helix	trans	-60.9	-40.3	-177	0	0	0	0	0	113.9	N189	N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 3.46Å
192	K	77.9	Confident	84.7	Confident	153 Å²	153	81.8 Å²	81.8	67%	0.665	41%	0.412	S	S	*	.	H	α-helix	trans	-72.9	-39.9	178.9	-66.7	-173.2	177.5	-175	0	112.2	N189 I190 Q194 E195	N189-K192 PolarHBondContact O-N 3.01Å; I190-K192 PolarHBondContact O-N 3.07Å; K192-Q194 VanDerWaalsContact C-N 3.32Å; K192-E195 PolarHBondContact O-N 2.93Å
193	F	78.8	Confident	84	Confident	31 Å²	31	85.6 Å²	85.6	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-80.3	-14.6	-179.2	-71.4	-69.7	0	0	0	113.3	R185 Y186 N189 I190 E196 A197	R185-F193 HydrophobicContact CB-CE2 4.13Å; R185-F193 HydrophobicContact CB-CZ 4.15Å; R185-F193 VanDerWaalsContact O-CE2 3.27Å; R185-F193 WeakPolarHBondContact O-CE2 3.38Å; Y186-F193 HydrophobicContact CD2-CB 3.4Å; Y186-F193 VanDerWaalsContact CD2-CB 3.4Å; Y186-F193 HydrophobicContact CD2-CG 4.14Å; Y186-F193 HydrophobicContact CE2-CB 3.7Å; Y186-F193 HydrophobicContact CG-CB 4.38Å; N189-F193 HydrophobicContact CB-CD2 3.84Å; N189-F193 HydrophobicContact CB-CE2 3.85Å; N189-F193 VanDerWaalsContact O-CD2 3.3Å; N189-F193 WeakPolarHBondContact O-CD2 3.29Å; N189-F193 PolarHBondContact O-N 2.97Å; I190-F193 PolarHBondContact O-N 2.74Å; F193-E196 HydrophobicContact CD1-CG 4.49Å; F193-E196 WeakPolarHBondContact CD1-OE2 3.5Å; F193-E196 PolarHBondContact O-N 2.93Å; F193-A197 WeakPolarHBondContact O-CB 3.37Å; F193-A197 PolarHBondContact O-N 3.17Å
194	Q	76.5	Confident	83.2	Confident	80 Å²	80	86.3 Å²	86.3	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-68.7	-36.7	170.3	-167.8	61.1	39.1	0	0	111.6	Y186 I190 K192 A197 N198	Y186-Q194 PolarHBondContact OH-OE1 3.02Å; I190-Q194 WeakPolarHBondContact O-CB 3.4Å; I190-Q194 PolarHBondContact O-N 2.92Å; K192-Q194 VanDerWaalsContact C-N 3.32Å; Q194-A197 PolarHBondContact O-N 3.01Å; Q194-N198 PolarHBondContact NE2-OD1 3.29Å; Q194-N198 PolarHBondContact O-N 3.33Å; Q194-N198 PolarHBondContact O-OD1 2.82Å
195	E	75.9	Confident	82.3	Confident	136 Å²	136	84.9 Å²	84.9	64%	0.636	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-44.7	172.8	-172.2	175.8	-172.4	0	0	111.1	K192 A197 N198 I199	K192-E195 PolarHBondContact O-N 2.93Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 3.08Å; E195-N198 PolarHBondContact O-N 3.37Å; E195-I199 WeakPolarHBondContact O-CG1 3.36Å; E195-I199 PolarHBondContact O-N 2.98Å; E195-I199 VanDerWaalsContact O-N 3.1Å
196	E	80.6	Confident	81.5	Confident	73 Å²	73	82.6 Å²	82.6	34%	0.341	44%	0.442	S	S	.	.	H	α-helix	trans	-59	-44.7	172.5	-69.6	-171.5	-173.2	0	0	111.8	Y148 K182 F193 N198 I199 Y200	Y148-E196 HydrophobicContact CE2-CB 4.26Å; Y148-E196 WeakPolarHBondContact OH-CB 3.44Å; Y148-E196 PolarHBondContact OH-OE2 3.23Å; K182-E196 IonicContact NZ-OE2 3.1Å; K182-E196 PolarHBondContact NZ-OE2 3.41Å; F193-E196 HydrophobicContact CD1-CG 4.49Å; F193-E196 WeakPolarHBondContact CD1-OE2 3.5Å; F193-E196 PolarHBondContact O-N 2.93Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.33Å; E196-I199 WeakPolarHBondContact O-CB 3.33Å; E196-I199 PolarHBondContact O-N 3.44Å; E196-Y200 WeakPolarHBondContact O-CD2 3.42Å; E196-Y200 PolarHBondContact O-N 3.16Å; E196-Y200 VanDerWaalsContact O-N 3.07Å
197	A	79.3	Confident	80.8	Confident	7 Å²	7	85 Å²	85	6%	0.058	46%	0.46	C	S	.	.	H	α-helix	trans	-59.7	-41.8	177.9	0	0	0	0	0	112.2	Y148 L151 F193 Q194 E195 I199 Y200 A201	Y148-A197 HydrophobicContact CD1-CB 3.65Å; Y148-A197 HydrophobicContact CE1-CB 3.93Å; Y148-A197 HydrophobicContact CG-CB 4.38Å; L151-A197 HydrophobicContact CD1-CB 3.88Å; F193-A197 WeakPolarHBondContact O-CB 3.37Å; F193-A197 PolarHBondContact O-N 3.17Å; Q194-A197 PolarHBondContact O-N 3.01Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 3.08Å; A197-I199 VanDerWaalsContact C-N 3.32Å; A197-I199 PolarHBondContact O-N 3.26Å; A197-Y200 PolarHBondContact O-N 3.42Å; A197-A201 WeakPolarHBondContact O-CB 3.23Å; A197-A201 PolarHBondContact O-N 2.96Å
198	N	83.3	Confident	79.8	Confident	100 Å²	100	80 Å²	80	54%	0.535	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-38.5	176.4	-74.4	6.3	0	0	0	111.9	Q194 E195 E196 A201 A202	Q194-N198 PolarHBondContact NE2-OD1 3.29Å; Q194-N198 PolarHBondContact O-N 3.33Å; Q194-N198 PolarHBondContact O-OD1 2.82Å; E195-N198 PolarHBondContact O-N 3.37Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.33Å; N198-A201 PolarHBondContact O-N 2.72Å; N198-A202 WeakPolarHBondContact O-CB 3.35Å; N198-A202 PolarHBondContact O-N 3.39Å
199	I	84.7	Confident	78.9	Confident	89 Å²	89	76.3 Å²	76.3	46%	0.456	44%	0.441	S	S	.	.	H	α-helix	trans	-63	-46	175.3	-67	166.7	0	0	0	110.9	E195 E196 A197 A202 K203	E195-I199 WeakPolarHBondContact O-CG1 3.36Å; E195-I199 PolarHBondContact O-N 2.98Å; E195-I199 VanDerWaalsContact O-N 3.1Å; E196-I199 WeakPolarHBondContact O-CB 3.33Å; E196-I199 PolarHBondContact O-N 3.44Å; A197-I199 VanDerWaalsContact C-N 3.32Å; A197-I199 PolarHBondContact O-N 3.26Å; I199-A202 PolarHBondContact O-N 3.19Å; I199-K203 WeakPolarHBondContact O-CG 3.33Å; I199-K203 PolarHBondContact O-N 3.32Å
200	Y	83.9	Confident	77.7	Confident	38 Å²	38	77.8 Å²	77.8	15%	0.149	45%	0.449	C	S	.	.	H	α-helix	trans	-66.2	-39.8	178.9	-84.4	-90.1	0	0	0	111.9	E141 N144 Y148 E196 A197 A202 K203 T204	E141-Y200 HydrophobicContact CG-CE1 4.3Å; N144-Y200 HydrophobicContact CB-CE1 3.75Å; N144-Y200 HydrophobicContact CB-CE2 4.01Å; N144-Y200 VanDerWaalsContact CB-CZ 3.43Å; N144-Y200 VanDerWaalsContact CB-OH 3.32Å; N144-Y200 WeakPolarHBondContact CB-OH 3.45Å; N144-Y200 PolarHBondContact ND2-OH 3.04Å; Y148-Y200 HydrophobicContact CD2-CD1 4.27Å; Y148-Y200 AromaticContact CD2-CD2 3.35Å; Y148-Y200 HydrophobicContact CD2-CD2 3.35Å; Y148-Y200 AromaticContact CD2-CE2 3.87Å; Y148-Y200 HydrophobicContact CD2-CE2 3.87Å; Y148-Y200 AromaticContact CD2-CG 3.59Å; Y148-Y200 HydrophobicContact CD2-CG 3.59Å; Y148-Y200 AromaticContact CE2-CD2 3.51Å; Y148-Y200 HydrophobicContact CE2-CD2 3.51Å; Y148-Y200 AromaticContact CE2-CE2 3.69Å; Y148-Y200 HydrophobicContact CE2-CE2 3.69Å; Y148-Y200 HydrophobicContact CE2-CG 4.24Å; Y148-Y200 HydrophobicContact CG-CD2 4.41Å; Y148-Y200 HydrophobicContact CG-CG 4.42Å; E196-Y200 WeakPolarHBondContact O-CD2 3.42Å; E196-Y200 PolarHBondContact O-N 3.16Å; E196-Y200 VanDerWaalsContact O-N 3.07Å; A197-Y200 PolarHBondContact O-N 3.42Å; Y200-A202 PolarHBondContact O-N 3.37Å; Y200-K203 PolarHBondContact O-N 2.94Å; Y200-T204 PolarHBondContact O-N 3.12Å; Y200-T204 PolarHBondContact O-OG1 3.29Å; Y200-T204 VanDerWaalsContact O-OG1 3.12Å
201	A	82.2	Confident	76.6	Confident	60 Å²	60	78.2 Å²	78.2	50%	0.496	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-42.7	174.2	0	0	0	0	0	112.2	A197 N198 T204 A205	A197-A201 WeakPolarHBondContact O-CB 3.23Å; A197-A201 PolarHBondContact O-N 2.96Å; N198-A201 PolarHBondContact O-N 2.72Å; A201-T204 PolarHBondContact O-N 3.26Å; A201-A205 PolarHBondContact O-N 2.72Å
202	A	82.8	Confident	75.6	Confident	57 Å²	57	79.1 Å²	79.1	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-63.5	-42	176.4	0	0	0	0	0	112.2	N198 I199 Y200 A205 V206	N198-A202 WeakPolarHBondContact O-CB 3.35Å; N198-A202 PolarHBondContact O-N 3.39Å; I199-A202 PolarHBondContact O-N 3.19Å; Y200-A202 PolarHBondContact O-N 3.37Å; A202-A205 PolarHBondContact O-N 2.87Å; A202-V206 WeakPolarHBondContact O-CG2 3.39Å; A202-V206 PolarHBondContact O-N 2.87Å
203	K	79.9	Confident	74.5	Confident	93 Å²	93	75.5 Å²	75.5	40%	0.404	45%	0.451	S	S	.	.	H	α-helix	trans	-59.5	-47.7	174.7	-75.8	179.1	170.1	-171.2	0	111.8	E141 I199 Y200 A205 V206 T207	E141-K203 IonicContact OE1-NZ 2.67Å; E141-K203 PolarHBondContact OE1-NZ 2.92Å; I199-K203 WeakPolarHBondContact O-CG 3.33Å; I199-K203 PolarHBondContact O-N 3.32Å; Y200-K203 PolarHBondContact O-N 2.94Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 2.88Å; K203-V206 PolarHBondContact O-N 3.46Å; K203-T207 PolarHBondContact O-N 3.43Å; K203-T207 PolarHBondContact O-OG1 3.4Å
204	T	78.6	Confident	73.1	Confident	77 Å²	77	83 Å²	83	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-59.9	-40.7	177.9	-57.4	0	0	0	0	111.6	Y200 A201 T207 A208	Y200-T204 PolarHBondContact O-N 3.12Å; Y200-T204 PolarHBondContact O-OG1 3.29Å; Y200-T204 VanDerWaalsContact O-OG1 3.12Å; A201-T204 PolarHBondContact O-N 3.26Å; T204-T207 PolarHBondContact O-N 3.34Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 2.94Å
205	A	75.3	Confident	71.7	Confident	56 Å²	56	82.3 Å²	82.3	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-43.1	176.9	0	0	0	0	0	112.7	A201 A202 K203 A208 T209	A201-A205 PolarHBondContact O-N 2.72Å; A202-A205 PolarHBondContact O-N 2.87Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 2.88Å; A205-A208 PolarHBondContact O-N 2.95Å; A205-T209 PolarHBondContact O-N 3.36Å; A205-T209 PolarHBondContact O-OG1 2.91Å
206	V	75.6	Confident	70.2	Confident	84 Å²	84	81 Å²	81	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-40.3	177.8	174.2	0	0	0	0	111.8	A202 K203 A208 T209 N210	A202-V206 WeakPolarHBondContact O-CG2 3.39Å; A202-V206 PolarHBondContact O-N 2.87Å; K203-V206 PolarHBondContact O-N 3.46Å; V206-A208 VanDerWaalsContact C-N 3.34Å; V206-T209 WeakPolarHBondContact CA-OG1 3.36Å; V206-T209 PolarHBondContact O-N 3.35Å; V206-T209 PolarHBondContact O-OG1 3.34Å; V206-N210 PolarHBondContact O-N 3.33Å; V206-N210 VanDerWaalsContact O-N 3.12Å
207	T	74.2	Confident	68.8	Low	90 Å²	90	87.1 Å²	87.1	55%	0.552	54%	0.535	S	S	*	.	H	α-helix	trans	-62.9	-42.4	174.6	-58.5	0	0	0	0	111	K203 T204 T209 N210 V211	K203-T207 PolarHBondContact O-N 3.43Å; K203-T207 PolarHBondContact O-OG1 3.4Å; T204-T207 PolarHBondContact O-N 3.34Å; T207-T209 PolarHBondContact O-N 3.37Å; T207-N210 PolarHBondContact O-N 2.9Å; T207-V211 WeakPolarHBondContact O-CG2 3.5Å; T207-V211 PolarHBondContact O-N 2.93Å; T207-V211 VanDerWaalsContact O-N 3.15Å
208	A	71.2	Confident	67	Low	60 Å²	60	91.3 Å²	91.3	50%	0.496	57%	0.57	S	S	.	*	H	α-helix	trans	-61.6	-42.5	176.4	0	0	0	0	0	112.4	T204 A205 V206 N210 V211 S212	T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 2.94Å; A205-A208 PolarHBondContact O-N 2.95Å; V206-A208 VanDerWaalsContact C-N 3.34Å; A208-N210 VanDerWaalsContact C-N 3.34Å; A208-N210 PolarHBondContact O-N 2.91Å; A208-V211 PolarHBondContact O-N 3.38Å; A208-S212 PolarHBondContact O-N 3.01Å; A208-S212 PolarHBondContact O-OG 2.89Å
209	T	70.2	Confident	65	Low	82 Å²	82	94.5 Å²	94.5	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-65.5	-34.4	178	50.5	0	0	0	0	113.3	A205 V206 T207 S212 A213	A205-T209 PolarHBondContact O-N 3.36Å; A205-T209 PolarHBondContact O-OG1 2.91Å; V206-T209 WeakPolarHBondContact CA-OG1 3.36Å; V206-T209 PolarHBondContact O-N 3.35Å; V206-T209 PolarHBondContact O-OG1 3.34Å; T207-T209 PolarHBondContact O-N 3.37Å; T209-S212 VanDerWaalsContact C-OG 3.29Å; T209-S212 VanDerWaalsContact CA-OG 3.3Å; T209-S212 WeakPolarHBondContact CA-OG 3.45Å; T209-S212 PolarHBondContact O-N 3.22Å; T209-S212 PolarHBondContact O-OG 3.37Å; T209-A213 PolarHBondContact O-N 3.06Å
210	N	61.2	Low	62.8	Low	110 Å²	110	95.6 Å²	95.6	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-72.7	-33.6	177.7	-80.2	-1	0	0	0	112.6	V206 T207 A208 A213	V206-N210 PolarHBondContact O-N 3.33Å; V206-N210 VanDerWaalsContact O-N 3.12Å; T207-N210 PolarHBondContact O-N 2.9Å; A208-N210 VanDerWaalsContact C-N 3.34Å; A208-N210 PolarHBondContact O-N 2.91Å; N210-A213 PolarHBondContact O-N 3.47Å
211	V	58.4	Low	61.1	Low	107 Å²	107	100.1 Å²	100.1	65%	0.648	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-37.4	174.4	176	0	0	0	0	110.8	T207 A208 A213 H214	T207-V211 WeakPolarHBondContact O-CG2 3.5Å; T207-V211 PolarHBondContact O-N 2.93Å; T207-V211 VanDerWaalsContact O-N 3.15Å; A208-V211 PolarHBondContact O-N 3.38Å; V211-A213 VanDerWaalsContact C-N 3.28Å; V211-A213 PolarHBondContact O-N 3.02Å; V211-H214 PolarHBondContact O-N 3.48Å
212	S	57.7	Low	59.1	Low	78 Å²	78	102.1 Å²	102.1	55%	0.545	65%	0.646	S	S	.	*	H	α-helix	trans	-69.8	-18.5	174.5	44.9	0	0	0	0	114.8	A208 T209	A208-S212 PolarHBondContact O-N 3.01Å; A208-S212 PolarHBondContact O-OG 2.89Å; T209-S212 VanDerWaalsContact C-OG 3.29Å; T209-S212 VanDerWaalsContact CA-OG 3.3Å; T209-S212 WeakPolarHBondContact CA-OG 3.45Å; T209-S212 PolarHBondContact O-N 3.22Å; T209-S212 PolarHBondContact O-OG 3.37Å
213	A	53.8	Low	56.8	Low	78 Å²	78	105.8 Å²	105.8	65%	0.645	66%	0.663	S	S	*	*	H	α-helix	trans	-82.1	-15.8	178.8	0	0	0	0	0	113.9	T209 N210 V211	T209-A213 PolarHBondContact O-N 3.06Å; N210-A213 PolarHBondContact O-N 3.47Å; V211-A213 VanDerWaalsContact C-N 3.28Å; V211-A213 PolarHBondContact O-N 3.02Å
214	H	49.3	Very low	55.5	Low	189 Å²	189	107.1 Å²	107.1	88%	0.875	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-0.2	179.1	-115.6	74.1	0	0	0	114.1	V211	V211-H214 PolarHBondContact O-N 3.48Å
215	G	47.3	Very low	53.7	Low	64 Å²	64	110.6 Å²	110.6	66%	0.66	70%	0.697	S	S	*	*	S	Bend	trans	-104.7	2.8	-171.9	0	0	0	0	0	117.1
216	S	45.4	Very low	51.9	Low	108 Å²	108	113.8 Å²	113.8	76%	0.755	72%	0.716	S	S	*	*			trans	-138.9	85.5	-169.4	-53.4	0	0	0	0	113.5
217	Q	50.6	Low	50	Low	202 Å²	202	114.5 Å²	114.5	94%	0.944	73%	0.731	S	S	*	*			trans	-100.8	111.3	148.3	-93.6	-172.3	19.3	0	0	108.2
218	A	40.8	Very low	47.9	Very low	96 Å²	96	113.7 Å²	113.7	79%	0.793	74%	0.741	S	S	*	*			trans	168.7	131.7	136.4	0	0	0	0	0	113.1
219	N	42	Very low	46	Very low	166 Å²	166	116.2 Å²	116.2	89%	0.888	76%	0.755	S	S	*	*			trans	67.2	114.5	157.3	-77.6	3.7	0	0	0	122.9
220	S	38.9	Very low	44.4	Very low	113 Å²	113	117 Å²	117	79%	0.79	76%	0.764	S	S	*	*			trans	-76.8	174	165.4	-38.3	0	0	0	0	113
221	P	48.1	Very low	43.1	Very low	132 Å²	132	117 Å²	117	86%	0.857	77%	0.772	S	S	*	*				-145.6	-178.1	70.7	35.1	-12	0	0	0	117.3
222	S	39	Very low	42	Very low	102 Å²	102	117 Å²	117	71%	0.713	78%	0.776	S	S	*	*			trans	-73	152.6	-154.8	-48.5	0	0	0	0	122.3
223	T	36.2	Very low	40.8	Very low	134 Å²	134	123 Å²	123	82%	0.822	79%	0.793	S	S	*	*			trans	66	161.6	140.6	58.7	0	0	0	0	122.1
224	P	51.5	Low	39.8	Very low	122 Å²	122	125.5 Å²	125.5	79%	0.792	80%	0.796	S	S	*	*			cis	-135.5	174.8	12	36.4	-14.5	0	0	0	118.5
225	N	42.1	Very low	39	Very low	149 Å²	149	124.8 Å²	124.8	80%	0.797	80%	0.795	S	S	*	*			trans	-42.8	145	170.7	-165.3	36.1	0	0	0	116.9
226	S	37	Very low	38.3	Very low	123 Å²	123	125.1 Å²	125.1	86%	0.86	79%	0.787	S	S	*	*			trans	-154.4	125.3	146.6	-107.5	0	0	0	0	111.6
227	A	34.5	Very low	37.6	Very low	99 Å²	99	127.6 Å²	127.6	82%	0.818	79%	0.792	S	S	*	*			trans	-75	156.2	170.8	0	0	0	0	0	112.1
228	G	30.6	Very low	36.7	Very low	74 Å²	74	123.5 Å²	123.5	76%	0.763	79%	0.786	S	S	*	*			trans	156.1	115.2	156.8	0	0	0	0	0	116.4
229	S	32.2	Very low	36.2	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	78%	0.784	S	S	*	*			trans	67.5	103.8	147.7	-124.7	0	0	0	0	118.5
230	S	36.1	Very low	35.8	Very low	99 Å²	99	122.4 Å²	122.4	69%	0.692	78%	0.784	S	S	*	*				60.3	113	86.2	79	0	0	0	0	114.9
231	S	32.8	Very low	35.9	Very low	109 Å²	109	125 Å²	125	76%	0.762	79%	0.788	S	S	*	*			trans	-173.8	112.4	137.7	-77.7	0	0	0	0	109.6
232	S	35.3	Very low	35.1	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	78%	0.784	S	S	*	*			trans	-70.1	144.8	172.6	-45.1	0	0	0	0	111.4
233	F	32.5	Very low	34.8	Very low	205 Å²	205	130 Å²	130	90%	0.899	79%	0.788	S	S	*	*			trans	-139.9	113.8	137.4	-53.2	-70.9	0	0	0	109.2
234	N	34.5	Very low	34.5	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	77%	0.77	S	S	*	*			trans	-84.6	138.3	169	-178.7	17.1	0	0	0	108.2	S236	N234-S236 PolarHBondContact ND2-OG 3.21Å; N234-S236 PolarHBondContact OD1-N 3.44Å; N234-S236 PolarHBondContact OD1-OG 3.17Å
235	M	32.3	Very low	33.4	Very low	173 Å²	173	127.4 Å²	127.4	85%	0.852	77%	0.772	S	S	*	*			trans	-137.5	94.7	154.8	-126.1	-65.7	104.9	0	0	108.8
236	S	32.8	Very low	32.8	Very low	72 Å²	72	128.1 Å²	128.1	50%	0.503	77%	0.771	S	S	.	*			trans	-66.1	133	161.7	-48.5	0	0	0	0	109.7	N234	N234-S236 PolarHBondContact ND2-OG 3.21Å; N234-S236 PolarHBondContact OD1-N 3.44Å; N234-S236 PolarHBondContact OD1-OG 3.17Å
237	N	29.1	Very low	32.4	Very low	160 Å²	160	128.1 Å²	128.1	86%	0.856	77%	0.771	S	S	*	*			trans	-149.8	119	136	-152.6	25.9	0	0	0	111.3
238	S	32.8	Very low	32.2	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	77%	0.772	S	S	*	*			trans	-68	155.5	170.1	-66.6	0	0	0	0	111.6
239	G	30	Very low	32.1	Very low	74 Å²	74	134.9 Å²	134.9	76%	0.763	78%	0.775	S	S	*	*			trans	176.9	71.1	167	0	0	0	0	0	112.3	L241	G239-L241 PolarHBondContact O-N 2.96Å
240	D	34.2	Very low	31.7	Very low	164 Å²	164	133.2 Å²	133.2	88%	0.877	78%	0.776	S	S	*	*			trans	-53.3	127.6	160.3	-86.5	-61.6	0	0	0	110.4
241	L	39.5	Very low	31.2	Very low	167 Å²	167	135.3 Å²	135.3	87%	0.874	78%	0.779	S	S	*	*			trans	-140.6	92.8	153.6	-152	72.9	0	0	0	110.7	G239	G239-L241 PolarHBondContact O-N 2.96Å
242	F	31.9	Very low	30.8	Very low	178 Å²	178	134.8 Å²	134.8	78%	0.781	78%	0.775	S	S	*	*			trans	-55.3	124.4	159.9	176.8	-97.3	0	0	0	110.9
243	M	32.9	Very low	30.5	Very low	163 Å²	163	140.2 Å²	140.2	80%	0.803	78%	0.781	S	S	*	*			trans	-132.7	105.4	154.1	-86.8	-153.2	74.6	0	0	110.5
244	S	29.2	Very low	30.3	Very low	62 Å²	62	140 Å²	140	43%	0.434	78%	0.783	S	S	.	*			trans	-37.3	126	153.5	176.4	0	0	0	0	112.3
245	V	30.3	Very low	30	Very low	138 Å²	138	137.3 Å²	137.3	84%	0.836	79%	0.786	S	S	*	*			trans	-109	87	158.5	-71.2	0	0	0	0	108.5	S247	V245-S247 PolarHBondContact O-N 3.04Å
246	Q	27.7	Very low	30.1	Very low	164 Å²	164	133.2 Å²	133.2	77%	0.766	78%	0.78	S	S	*	*			trans	-72.8	103.2	167	-151.8	154.3	-0.5	0	0	107.1	L248	Q246-L248 PolarHBondContact O-N 3.09Å
247	S	28.4	Very low	30.2	Very low	123 Å²	123	139 Å²	139	86%	0.86	80%	0.799	S	S	*	*			trans	-70	111.1	171.8	-79.5	0	0	0	0	109.3	V245	V245-S247 PolarHBondContact O-N 3.04Å
248	L	30.6	Very low	30.8	Very low	163 Å²	163	135 Å²	135	85%	0.853	78%	0.78	S	S	*	*			trans	-71	146.3	172.7	-74	161.3	0	0	0	111.3	Q246	Q246-L248 PolarHBondContact O-N 3.09Å
249	N	28.4	Very low	31.3	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	77%	0.765	S	S	*	*			trans	-30.3	133.4	170.4	-70.8	-1.9	0	0	0	115.8
250	G	25.5	Very low	32	Very low	79 Å²	79	132.6 Å²	132.6	81%	0.814	77%	0.765	S	S	*	*			trans	-122.7	102.8	154.4	0	0	0	0	0	109
251	D	24.5	Very low	32.8	Very low	143 Å²	143	130.6 Å²	130.6	77%	0.765	75%	0.754	S	S	*	*			trans	-66.1	153.1	171.9	-89.8	-52.7	0	0	0	112.6
252	S	24.9	Very low	33.3	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	72%	0.721	S	S	*	*			trans	76	123.2	161.2	-49.8	0	0	0	0	115.9
253	Y	28.3	Very low	34.5	Very low	221 Å²	221	120.2 Å²	120.2	87%	0.867	71%	0.706	S	S	*	*			cis	-143	135.4	44.3	-77.5	-99.1	0	0	0	111.3	G255	Y253-G255 PolarHBondContact O-N 2.97Å; Y253-G255 VanDerWaalsContact O-N 3.15Å
254	Q	28.2	Very low	35.8	Very low	200 Å²	200	115.5 Å²	115.5	94%	0.935	69%	0.688	S	S	*	*			trans	-55.9	118.3	163.2	-82.9	175.8	-41.1	0	0	109.3	A256	Q254-A256 PolarHBondContact O-N 3.32Å; Q254-A256 VanDerWaalsContact O-N 3.07Å
255	G	29.2	Very low	37.3	Very low	74 Å²	74	114.3 Å²	114.3	76%	0.763	68%	0.676	S	S	*	*			trans	-57.9	111.6	171.7	0	0	0	0	0	109.8	Y253 Q257	Y253-G255 PolarHBondContact O-N 2.97Å; Y253-G255 VanDerWaalsContact O-N 3.15Å; G255-Q257 PolarHBondContact O-N 3.36Å
256	A	33.5	Very low	38.8	Very low	87 Å²	87	109.8 Å²	109.8	72%	0.719	65%	0.649	S	S	*	*			trans	-60.5	118.1	162.6	0	0	0	0	0	107.1	Q254 V258	Q254-A256 PolarHBondContact O-N 3.32Å; Q254-A256 VanDerWaalsContact O-N 3.07Å; A256-V258 PolarHBondContact O-N 2.94Å
257	Q	34.8	Very low	40.8	Very low	194 Å²	194	105.7 Å²	105.7	91%	0.907	63%	0.632	S	S	*	*			trans	-43.5	113.2	172.1	-81.9	-94.3	-35.2	0	0	109.7	G255	G255-Q257 PolarHBondContact O-N 3.36Å
258	V	41.3	Very low	43.1	Very low	76 Å²	76	103.1 Å²	103.1	46%	0.461	61%	0.611	S	S	.	*			trans	-75.8	128.7	-177.1	-174.9	0	0	0	0	107.6	A256 A260 V262	A256-V258 PolarHBondContact O-N 2.94Å; V258-A260 PolarHBondContact O-N 3.49Å; V258-V262 HydrophobicContact CG1-CB 3.7Å; V258-V262 HydrophobicContact CG1-CG1 3.89Å
259	G	44	Very low	45.2	Very low	48 Å²	48	95.6 Å²	95.6	50%	0.495	57%	0.572	S	S	.	*			trans	-60.7	136.6	173.2	0	0	0	0	0	110.3	N261 V262	G259-N261 PolarHBondContact O-N 3.37Å; G259-V262 PolarHBondContact O-N 3.47Å
260	A	44.3	Very low	47.2	Very low	92 Å²	92	95.7 Å²	95.7	76%	0.76	56%	0.561	S	S	*	*	H	α-helix	trans	-49.6	-27.2	-172.6	0	0	0	0	0	115	V258	V258-A260 PolarHBondContact O-N 3.49Å
261	N	51.9	Low	49.5	Very low	122 Å²	122	97 Å²	97	65%	0.652	55%	0.545	S	S	*	.	H	α-helix	trans	-72.8	-29.7	179.8	-150.7	20.3	0	0	0	113.4	G259 Q265	G259-N261 PolarHBondContact O-N 3.37Å; N261-Q265 WeakPolarHBondContact O-CG 3.32Å
262	V	49.2	Very low	51.8	Low	31 Å²	31	90.7 Å²	90.7	19%	0.188	51%	0.512	C	S	.	.	H	α-helix	trans	-79.3	-33.3	-177.7	178.2	0	0	0	0	111.4	V258 G259 Q265 V266	V258-V262 HydrophobicContact CG1-CB 3.7Å; V258-V262 HydrophobicContact CG1-CG1 3.89Å; G259-V262 PolarHBondContact O-N 3.47Å; V262-Q265 PolarHBondContact O-N 2.99Å; V262-V266 PolarHBondContact O-N 3.48Å
263	Q	57.9	Low	53.8	Low	96 Å²	96	86.9 Å²	86.9	45%	0.449	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-43.1	175.2	-169.3	60.1	40.4	0	0	111.1	Q265 V266 D267	Q263-Q265 PolarHBondContact O-N 3.02Å; Q263-V266 PolarHBondContact O-N 3.13Å; Q263-V266 VanDerWaalsContact O-N 3.16Å; Q263-D267 VanDerWaalsContact O-CG 3.3Å; Q263-D267 PolarHBondContact O-N 3.3Å; Q263-D267 VanDerWaalsContact O-N 3.08Å; Q263-D267 VanDerWaalsContact O-OD2 3.11Å
264	S	59.5	Low	55.5	Low	63 Å²	63	79.6 Å²	79.6	44%	0.441	47%	0.465	S	S	.	.	H	α-helix	trans	-56.8	-33.7	175.7	-177	0	0	0	0	113.7	D267 T268	S264-D267 PolarHBondContact O-N 2.89Å; S264-T268 PolarHBondContact O-N 3.44Å; S264-T268 PolarHBondContact O-OG1 2.9Å
265	Q	61.7	Low	56.8	Low	37 Å²	37	76 Å²	76	17%	0.173	45%	0.448	C	S	.	.	H	α-helix	trans	-70.3	-41.5	178	-68.6	169.4	-4.2	0	0	112.5	E59 N261 V262 Q263 D267 T268 L269	E59-Q265 WeakPolarHBondContact OE2-CG 3.44Å; E59-Q265 PolarHBondContact OE2-NE2 2.98Å; N261-Q265 WeakPolarHBondContact O-CG 3.32Å; V262-Q265 PolarHBondContact O-N 2.99Å; Q263-Q265 PolarHBondContact O-N 3.02Å; Q265-D267 VanDerWaalsContact C-N 3.27Å; Q265-D267 PolarHBondContact O-N 3.47Å; Q265-T268 PolarHBondContact O-N 3.45Å; Q265-L269 PolarHBondContact O-N 3.44Å
266	V	61.3	Low	57.4	Low	44 Å²	44	75.6 Å²	75.6	27%	0.267	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174.3	176.5	0	0	0	0	110.1	V262 Q263 L269 R270	V262-V266 PolarHBondContact O-N 3.48Å; Q263-V266 PolarHBondContact O-N 3.13Å; Q263-V266 VanDerWaalsContact O-N 3.16Å; V266-L269 PolarHBondContact O-N 3.13Å; V266-R270 HydrophobicContact CG1-CG 4.42Å; V266-R270 WeakPolarHBondContact O-CB 3.49Å; V266-R270 VanDerWaalsContact O-CG 3.28Å; V266-R270 WeakPolarHBondContact O-CG 3.47Å; V266-R270 PolarHBondContact O-N 3.21Å
267	D	69.3	Low	57.9	Low	78 Å²	78	74.5 Å²	74.5	42%	0.417	43%	0.428	S	S	.	.	H	α-helix	trans	-68.6	-37.2	179.7	-64.3	-32.9	0	0	0	112.1	Q263 S264 Q265 R270 H271	Q263-D267 VanDerWaalsContact O-CG 3.3Å; Q263-D267 PolarHBondContact O-N 3.3Å; Q263-D267 VanDerWaalsContact O-N 3.08Å; Q263-D267 VanDerWaalsContact O-OD2 3.11Å; S264-D267 PolarHBondContact O-N 2.89Å; Q265-D267 VanDerWaalsContact C-N 3.27Å; Q265-D267 PolarHBondContact O-N 3.47Å; D267-R270 PolarHBondContact O-N 2.63Å; D267-H271 VanDerWaalsContact O-CB 3.28Å; D267-H271 WeakPolarHBondContact O-CB 3.35Å; D267-H271 PolarHBondContact O-N 3.2Å
268	T	75.9	Confident	57.8	Low	69 Å²	69	69.1 Å²	69.1	42%	0.423	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-47.5	175.1	-59	0	0	0	0	111.8	S264 Q265 R270 H271 V272	S264-T268 PolarHBondContact O-N 3.44Å; S264-T268 PolarHBondContact O-OG1 2.9Å; Q265-T268 PolarHBondContact O-N 3.45Å; T268-R270 VanDerWaalsContact C-N 3.34Å; T268-R270 PolarHBondContact O-N 2.99Å; T268-H271 WeakPolarHBondContact O-CB 3.23Å; T268-H271 PolarHBondContact O-N 3.25Å; T268-V272 PolarHBondContact O-N 3.34Å; T268-V272 VanDerWaalsContact O-N 3.13Å
269	L	75.4	Confident	57.5	Low	5 Å²	5	75.9 Å²	75.9	3%	0.026	44%	0.444	C	S	.	.	H	α-helix	trans	-64	-39.4	175.5	-74.6	170.9	0	0	0	111.5	I55 S113 Q265 V266 H271 V272 I273	I55-L269 HydrophobicContact CB-CD2 4.18Å; I55-L269 HydrophobicContact CD1-CD2 4.3Å; I55-L269 HydrophobicContact CG2-CD2 3.67Å; I55-L269 HydrophobicContact CG2-CG 4.17Å; S113-L269 WeakPolarHBondContact OG-CD1 3.45Å; Q265-L269 PolarHBondContact O-N 3.44Å; V266-L269 PolarHBondContact O-N 3.13Å; L269-H271 VanDerWaalsContact C-N 3.31Å; L269-H271 PolarHBondContact O-N 2.97Å; L269-V272 PolarHBondContact O-N 3.24Å; L269-I273 WeakPolarHBondContact O-CD1 3.44Å; L269-I273 VanDerWaalsContact O-CG1 3.27Å; L269-I273 WeakPolarHBondContact O-CG1 3.27Å; L269-I273 PolarHBondContact O-N 3.15Å
270	R	71	Confident	57.2	Low	154 Å²	154	79.4 Å²	79.4	58%	0.581	46%	0.461	S	S	*	.	H	α-helix	trans	-63.2	-36.7	173.2	-80.1	179.2	172.1	-98.4	-3.8	112.4	V266 D267 T268 I273 S274	V266-R270 HydrophobicContact CG1-CG 4.42Å; V266-R270 WeakPolarHBondContact O-CB 3.49Å; V266-R270 VanDerWaalsContact O-CG 3.28Å; V266-R270 WeakPolarHBondContact O-CG 3.47Å; V266-R270 PolarHBondContact O-N 3.21Å; D267-R270 PolarHBondContact O-N 2.63Å; T268-R270 VanDerWaalsContact C-N 3.34Å; T268-R270 PolarHBondContact O-N 2.99Å; R270-I273 WeakPolarHBondContact O-CB 3.29Å; R270-I273 PolarHBondContact O-N 3.22Å; R270-S274 WeakPolarHBondContact O-CB 3.38Å; R270-S274 PolarHBondContact O-N 3.19Å; R270-S274 PolarHBondContact O-OG 3.47Å
271	H	72.9	Confident	56.5	Low	105 Å²	105	82.8 Å²	82.8	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-67.6	-40.9	-180	-166.7	58.5	0	0	0	112.2	D267 T268 L269 I273 S274 Q275	D267-H271 VanDerWaalsContact O-CB 3.28Å; D267-H271 WeakPolarHBondContact O-CB 3.35Å; D267-H271 PolarHBondContact O-N 3.2Å; T268-H271 WeakPolarHBondContact O-CB 3.23Å; T268-H271 PolarHBondContact O-N 3.25Å; L269-H271 VanDerWaalsContact C-N 3.31Å; L269-H271 PolarHBondContact O-N 2.97Å; H271-I273 PolarHBondContact O-N 2.93Å; H271-S274 WeakPolarHBondContact CA-OG 3.27Å; H271-S274 PolarHBondContact O-N 3.28Å; H271-S274 VanDerWaalsContact O-N 3.15Å; H271-S274 PolarHBondContact O-OG 3.07Å; H271-Q275 PolarHBondContact CD2-NE2 3.17Å; H271-Q275 PolarHBondContact NE2-NE2 3.1Å; H271-Q275 WeakPolarHBondContact O-CG 3.46Å; H271-Q275 PolarHBondContact O-N 3.46Å
272	V	72.8	Confident	55.7	Low	11 Å²	11	79.7 Å²	79.7	7%	0.067	46%	0.463	C	S	.	.	H	α-helix	trans	-59.8	-35.5	172.7	172.3	0	0	0	0	111.8	Q51 I52 I55 T268 L269	Q51-V272 HydrophobicContact CB-CG1 4.43Å; Q51-V272 HydrophobicContact CG-CG1 4.09Å; Q51-V272 HydrophobicContact CG-CG2 4.28Å; I52-V272 HydrophobicContact CG1-CG1 4.47Å; I55-V272 HydrophobicContact CD1-CG2 3.66Å; T268-V272 PolarHBondContact O-N 3.34Å; T268-V272 VanDerWaalsContact O-N 3.13Å; L269-V272 PolarHBondContact O-N 3.24Å
273	I	68.4	Low	54.9	Low	17 Å²	17	86.4 Å²	86.4	9%	0.087	50%	0.497	C	S	.	.	H	α-helix	trans	-75.5	-36.6	176.8	-60.6	162	0	0	0	111.3	A117 I120 R124 L269 R270 H271	A117-I273 HydrophobicContact CB-CD1 3.65Å; A117-I273 HydrophobicContact CB-CG1 4.44Å; I120-I273 HydrophobicContact CB-CG2 4.48Å; I120-I273 HydrophobicContact CD1-CD1 4.39Å; I120-I273 HydrophobicContact CG2-CG2 3.58Å; R124-I273 PolarHBondContact NH1-O 2.81Å; L269-I273 WeakPolarHBondContact O-CD1 3.44Å; L269-I273 VanDerWaalsContact O-CG1 3.27Å; L269-I273 WeakPolarHBondContact O-CG1 3.27Å; L269-I273 PolarHBondContact O-N 3.15Å; R270-I273 WeakPolarHBondContact O-CB 3.29Å; R270-I273 PolarHBondContact O-N 3.22Å; H271-I273 PolarHBondContact O-N 2.93Å
274	S	62.3	Low	53.8	Low	68 Å²	68	86.6 Å²	86.6	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-85.7	-22.5	-173.4	70.3	0	0	0	0	114.7	R270 H271 T276	R270-S274 WeakPolarHBondContact O-CB 3.38Å; R270-S274 PolarHBondContact O-N 3.19Å; R270-S274 PolarHBondContact O-OG 3.47Å; H271-S274 WeakPolarHBondContact CA-OG 3.27Å; H271-S274 PolarHBondContact O-N 3.28Å; H271-S274 VanDerWaalsContact O-N 3.15Å; H271-S274 PolarHBondContact O-OG 3.07Å; S274-T276 PolarHBondContact O-N 3.13Å
275	Q	57.3	Low	52.5	Low	124 Å²	124	88.4 Å²	88.4	58%	0.579	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.5	176.9	-86.7	-173.8	21.3	0	0	114.4	H271	H271-Q275 PolarHBondContact CD2-NE2 3.17Å; H271-Q275 PolarHBondContact NE2-NE2 3.1Å; H271-Q275 WeakPolarHBondContact O-CG 3.46Å; H271-Q275 PolarHBondContact O-N 3.46Å
276	T	41.7	Very low	50.9	Low	67 Å²	67	91.9 Å²	91.9	41%	0.411	56%	0.562	S	S	.	*			trans	-100.8	95.5	168.6	59.3	0	0	0	0	112.2	K48 S274	K48-T276 VanDerWaalsContact NZ-CB 3.33Å; K48-T276 PolarHBondContact NZ-OG1 2.85Å; S274-T276 PolarHBondContact O-N 3.13Å
277	G	42.4	Very low	49.6	Very low	63 Å²	63	99.1 Å²	99.1	65%	0.649	59%	0.593	S	S	*	*			trans	-155.7	47.6	172.5	0	0	0	0	0	111.1	Y279	G277-Y279 PolarHBondContact O-N 3.24Å
278	G	33.1	Very low	47.7	Very low	81 Å²	81	103.3 Å²	103.3	84%	0.835	61%	0.612	S	S	*	*			trans	-78	20.4	170.8	0	0	0	0	0	114.2
279	Y	34.8	Very low	45.5	Very low	219 Å²	219	110.7 Å²	110.7	86%	0.859	63%	0.634	S	S	*	*	S	Bend	trans	-114.8	111.1	166.5	-74.4	-76.4	0	0	0	107.5	G277 D281	G277-Y279 PolarHBondContact O-N 3.24Å; Y279-D281 PolarHBondContact O-N 3.15Å
280	S	38.4	Very low	43.1	Very low	121 Å²	121	115.2 Å²	115.2	85%	0.846	67%	0.666	S	S	*	*			trans	-37	117	174.5	50.7	0	0	0	0	113
281	D	29.7	Very low	41.4	Very low	164 Å²	164	113.4 Å²	113.4	88%	0.877	67%	0.674	S	S	*	*			trans	-124.4	91.5	151	-141.8	-5.1	0	0	0	106.2	Y279 L283	Y279-D281 PolarHBondContact O-N 3.15Å; D281-L283 PolarHBondContact O-N 3.19Å
282	G	35.4	Very low	39.4	Very low	57 Å²	57	117.2 Å²	117.2	59%	0.588	69%	0.692	S	S	*	*			trans	-74.3	117.3	164.7	0	0	0	0	0	106.9
283	L	32.8	Very low	37.5	Very low	171 Å²	171	120 Å²	120	90%	0.895	72%	0.723	S	S	*	*			trans	169.9	114.8	135.2	-86.8	162.4	0	0	0	110.1	D281	D281-L283 PolarHBondContact O-N 3.19Å
284	A	34.6	Very low	35.7	Very low	100 Å²	100	127.6 Å²	127.6	83%	0.826	76%	0.762	S	S	*	*			trans	52.3	105.7	147.7	0	0	0	0	0	120.1
285	A	31.1	Very low	34.5	Very low	102 Å²	102	129.7 Å²	129.7	84%	0.843	78%	0.777	S	S	*	*			trans	-156	101.9	138.5	0	0	0	0	0	111.4
286	S	29.4	Very low	33.5	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	79%	0.789	S	S	*	*			trans	7.5	112.5	155.6	-153.1	0	0	0	0	118.8	M288	S286-M288 PolarHBondContact O-N 3.2Å
287	Q	33.2	Very low	33.2	Very low	196 Å²	196	137.5 Å²	137.5	92%	0.916	81%	0.812	S	S	*	*			trans	-72.2	106.1	157.7	-83.4	176.1	-4.7	0	0	109.5
288	M	30.3	Very low	32.9	Very low	166 Å²	166	139.2 Å²	139.2	82%	0.818	82%	0.82	S	S	*	*			trans	-147.5	81.3	162	-82.4	-63.2	-171.6	0	0	109.5	S286	S286-M288 PolarHBondContact O-N 3.2Å
289	Y	28.8	Very low	33.1	Very low	225 Å²	225	146.7 Å²	146.7	88%	0.882	82%	0.823	S	S	*	*			trans	-175.1	115.9	142.2	-130	-105.7	0	0	0	110.1
290	S	25.7	Very low	33.4	Very low	100 Å²	100	142 Å²	142	70%	0.699	82%	0.818	S	S	*	*			trans	-119.3	117.9	169.2	179.8	0	0	0	0	107.8
291	P	33.8	Very low	33.4	Very low	115 Å²	115	150.8 Å²	150.8	75%	0.747	83%	0.834	S	S	*	*			trans	-103.6	87.6	173	33.8	-22.9	0	0	0	109.6
292	Q	30.6	Very low	33.5	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	83%	0.832	S	S	*	*			trans	-129.2	113.2	161.5	-73	-178.4	-7.6	0	0	107.9
293	G	33	Very low	33.4	Very low	71 Å²	71	155 Å²	155	73%	0.732	85%	0.845	S	S	*	*			trans	147.9	64.7	171.3	0	0	0	0	0	114.7
294	I	31.9	Very low	33.5	Very low	176 Å²	176	154.1 Å²	154.1	90%	0.903	84%	0.842	S	S	*	*			trans	-141.3	82	154.4	-51.9	179.5	0	0	0	107.9
295	S	36.4	Very low	33.4	Very low	111 Å²	111	157.3 Å²	157.3	78%	0.776	84%	0.843	S	S	*	*			trans	-145.2	64.7	166.8	61.1	0	0	0	0	109.3
296	E	35.3	Very low	33.6	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	84%	0.843	S	S	*	*			trans	-171.5	114.7	158.8	-116.7	171.4	171.6	0	0	108.9
297	I	36.5	Very low	33.8	Very low	176 Å²	176	164.2 Å²	164.2	90%	0.903	85%	0.849	S	S	*	*			trans	171.3	83.8	143.3	-79.2	149.6	0	0	0	105
298	A	36.9	Very low	33.9	Very low	99 Å²	99	161.9 Å²	161.9	82%	0.818	84%	0.844	S	S	*	*			trans	-146.6	75.6	163.5	0	0	0	0	0	107.8
299	R	37.2	Very low	34.1	Very low	239 Å²	239	161.6 Å²	161.6	90%	0.902	85%	0.846	S	S	*	*			trans	-176.7	102.4	157.2	-103.5	-178.2	-144.5	147.5	5.2	106.7
300	T	40.6	Very low	34.6	Very low	121 Å²	121	156.3 Å²	156.3	74%	0.742	84%	0.843	S	S	*	*				179.4	129.9	127.2	-52.4	0	0	0	0	106.3
301	Y	37.1	Very low	35.4	Very low	304 Å²	304	161.5 Å²	161.5	100%	1.192	86%	0.856	S	S	*	*			trans	85.4	0	-175.4	-56.1	-73.5	0	0	0	116.3

Retrieved 301 of 301 residues in 188.8 ms (Link to these results)

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