A0A077Z951_TRITR Loading...

BAR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z951, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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	48	Very low	53	Low	94 Å²	94	86.6 Å²	86.6	46%	0.463	41%	0.413	S	S	.	.				0	143.3	0	-80.1	-161.2	-74.2	0	0	110.2	Q5 H23 D25	M1-Q5 HydrophobicContact CB-CB 4.12Å; M1-Q5 HydrophobicContact CG-CB 4.09Å; M1-Q5 HydrophobicContact SD-CB 3.36Å; M1-Q5 WeakPolarHBondContact SD-CB 3.47Å; M1-Q5 HydrophobicContact SD-CG 4.24Å; M1-H23 HydrophobicContact CE-CB 4.4Å; M1-H23 WeakPolarHBondContact CE-CE1 3.41Å; M1-H23 VanDerWaalsContact CE-CG 3.46Å; M1-H23 WeakPolarHBondContact CE-ND1 3.37Å; M1-H23 WeakPolarHBondContact CE-NE2 3.37Å; M1-D25 HydrophobicContact CE-CB 4.02Å
2	S	48.3	Very low	53.1	Low	69 Å²	69	85.1 Å²	85.1	48%	0.483	43%	0.425	S	S	.	.			trans	-71.5	149.3	166.6	57.8	0	0	0	0	109.9	S4 Q5	S2-S4 PolarHBondContact O-N 3.3Å; S2-S4 PolarHBondContact OG-OG 3.4Å; S2-Q5 PolarHBondContact O-N 3.13Å
3	Y	48.9	Very low	52.8	Low	127 Å²	127	84.5 Å²	84.5	50%	0.498	42%	0.424	S	S	.	.	H	α-helix	trans	-36.1	-38.9	175.2	-176.1	-98.6	0	0	0	114.5	Q5 R7 D183	Y3-Q5 VanDerWaalsContact C-N 3.34Å; Y3-Q5 PolarHBondContact O-N 3.44Å; Y3-R7 WeakPolarHBondContact O-CB 3.41Å; Y3-R7 PolarHBondContact O-N 2.91Å; Y3-D183 WeakPolarHBondContact CE2-OD1 3.27Å; Y3-D183 PolarHBondContact OH-OD2 3.35Å
4	S	54	Low	52.3	Low	67 Å²	67	79.6 Å²	79.6	47%	0.469	40%	0.401	S	S	.	.	H	α-helix	trans	-57.3	-38	178.1	51.5	0	0	0	0	114.3	S2 H8	S2-S4 PolarHBondContact O-N 3.3Å; S2-S4 PolarHBondContact OG-OG 3.4Å; S4-H8 VanDerWaalsContact O-CB 3.29Å; S4-H8 WeakPolarHBondContact O-CB 3.45Å; S4-H8 PolarHBondContact O-N 2.88Å
5	Q	56.6	Low	51.9	Low	98 Å²	98	84.4 Å²	84.4	46%	0.458	43%	0.427	S	S	.	.	H	α-helix	trans	-77.2	-38	-173.6	-63.9	173.5	-62.4	0	0	112.3	M1 S2 Y3 R7 H8 W9	M1-Q5 HydrophobicContact CB-CB 4.12Å; M1-Q5 HydrophobicContact CG-CB 4.09Å; M1-Q5 HydrophobicContact SD-CB 3.36Å; M1-Q5 WeakPolarHBondContact SD-CB 3.47Å; M1-Q5 HydrophobicContact SD-CG 4.24Å; S2-Q5 PolarHBondContact O-N 3.13Å; Y3-Q5 VanDerWaalsContact C-N 3.34Å; Y3-Q5 PolarHBondContact O-N 3.44Å; Q5-R7 VanDerWaalsContact C-N 3.33Å; Q5-H8 PolarHBondContact O-N 3.38Å; Q5-W9 VanDerWaalsContact O-CB 3.31Å; Q5-W9 WeakPolarHBondContact O-CB 3.45Å; Q5-W9 PolarHBondContact O-N 3.23Å
6	L	52.3	Low	51.1	Low	42 Å²	42	82.2 Å²	82.2	22%	0.22	43%	0.432	C	S	.	.	H	α-helix	trans	-65.9	-41.4	174.2	-151.5	138.2	0	0	0	110	W9 V10	L6-W9 PolarHBondContact O-N 3.46Å; L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.25Å
7	R	57.7	Low	50.4	Low	119 Å²	119	79.9 Å²	79.9	45%	0.449	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-38.5	174.8	-152.2	179.4	-165.8	-156.3	5.3	113.4	Y3 Q5 K11 E179	Y3-R7 WeakPolarHBondContact O-CB 3.41Å; Y3-R7 PolarHBondContact O-N 2.91Å; Q5-R7 VanDerWaalsContact C-N 3.33Å; R7-K11 PolarHBondContact O-N 2.96Å; R7-E179 IonicContact CZ-OE2 3.71Å; R7-E179 IonicContact NE-OE2 3.54Å; R7-E179 PolarHBondContact NE-OE2 3.04Å; R7-E179 IonicContact NH2-OE2 3.31Å; R7-E179 PolarHBondContact NH2-OE2 3.25Å
8	H	56	Low	49.9	Very low	137 Å²	137	84.6 Å²	84.6	63%	0.634	45%	0.451	S	S	*	.	H	α-helix	trans	-69.9	-36.9	177.5	-138.1	-68.3	0	0	0	111.8	S4 Q5 K11 A12	S4-H8 VanDerWaalsContact O-CB 3.29Å; S4-H8 WeakPolarHBondContact O-CB 3.45Å; S4-H8 PolarHBondContact O-N 2.88Å; Q5-H8 PolarHBondContact O-N 3.38Å; H8-K11 PolarHBondContact O-N 3.23Å; H8-A12 VanDerWaalsContact O-CB 3.29Å; H8-A12 WeakPolarHBondContact O-CB 3.48Å; H8-A12 PolarHBondContact O-N 3.37Å
9	W	54.7	Low	50	Low	56 Å²	56	87 Å²	87	21%	0.212	46%	0.463	C	S	.	.	H	α-helix	trans	-67	-43.8	175.7	-175.4	93.6	0	0	0	111.3	Q5 L6 K11 A12 N13 N21 H23	Q5-W9 VanDerWaalsContact O-CB 3.31Å; Q5-W9 WeakPolarHBondContact O-CB 3.45Å; Q5-W9 PolarHBondContact O-N 3.23Å; L6-W9 PolarHBondContact O-N 3.46Å; W9-K11 PolarHBondContact O-N 3.45Å; W9-A12 PolarHBondContact O-N 3.36Å; W9-N13 HydrophobicContact CH2-CB 4.13Å; W9-N13 HydrophobicContact CZ2-CB 4.01Å; W9-N13 WeakPolarHBondContact CZ2-ND2 3.49Å; W9-N13 PolarHBondContact NE1-ND2 3.34Å; W9-N13 PolarHBondContact O-N 2.92Å; W9-N13 VanDerWaalsContact O-N 3.08Å; W9-N21 WeakPolarHBondContact CH2-O 3.37Å; W9-N21 WeakPolarHBondContact CZ2-O 3.37Å; W9-H23 AromaticContact CD1-CD2 3.66Å; W9-H23 HydrophobicContact CD2-CB 4.34Å; W9-H23 AromaticContact CG-CD2 3.83Å
10	V	53.8	Low	50.4	Low	16 Å²	16	83.1 Å²	83.1	10%	0.097	44%	0.442	C	S	.	.	H	α-helix	trans	-55.5	-51.4	169.9	170.9	0	0	0	0	109	L6 A12 V14 F178	L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.25Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.89Å; V10-V14 HydrophobicContact CG1-CG2 3.97Å; V10-V14 WeakPolarHBondContact O-CB 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.36Å; V10-F178 HydrophobicContact CG1-CE1 4.45Å; V10-F178 HydrophobicContact CG2-CE1 4.24Å
11	K	53.5	Low	51.2	Low	128 Å²	128	84.3 Å²	84.3	56%	0.557	45%	0.449	S	S	*	.	H	α-helix	trans	-58.9	-37.9	176.6	-93.1	-174.8	172.9	-176.6	0	114.9	R7 H8 W9	R7-K11 PolarHBondContact O-N 2.96Å; H8-K11 PolarHBondContact O-N 3.23Å; W9-K11 PolarHBondContact O-N 3.45Å
12	A	54.2	Low	52.4	Low	68 Å²	68	81.7 Å²	81.7	56%	0.562	43%	0.434	S	S	*	.	H	α-helix	trans	-79.6	-37.7	-170.7	0	0	0	0	0	113.8	H8 W9 V10	H8-A12 VanDerWaalsContact O-CB 3.29Å; H8-A12 WeakPolarHBondContact O-CB 3.48Å; H8-A12 PolarHBondContact O-N 3.37Å; W9-A12 PolarHBondContact O-N 3.36Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.89Å
13	N	48.8	Very low	53.8	Low	77 Å²	77	80 Å²	80	41%	0.412	42%	0.419	S	S	.	.	H	α-helix	trans	-96.1	-15.8	-176.2	-74.9	-37.5	0	0	0	114	W9	W9-N13 HydrophobicContact CH2-CB 4.13Å; W9-N13 HydrophobicContact CZ2-CB 4.01Å; W9-N13 WeakPolarHBondContact CZ2-ND2 3.49Å; W9-N13 PolarHBondContact NE1-ND2 3.34Å; W9-N13 PolarHBondContact O-N 2.92Å; W9-N13 VanDerWaalsContact O-N 3.08Å
14	V	46	Very low	55.4	Low	16 Å²	16	77.9 Å²	77.9	10%	0.097	42%	0.42	C	S	.	.	H	α-helix	trans	-76.8	-30.4	-175.9	160.8	0	0	0	0	114	V10 G16 T20 Y149	V10-V14 HydrophobicContact CG1-CG2 3.97Å; V10-V14 WeakPolarHBondContact O-CB 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.36Å; V14-G16 PolarHBondContact O-N 2.96Å; V14-T20 HydrophobicContact CB-CG2 4.26Å; V14-T20 HydrophobicContact CG2-CG2 3.43Å; V14-T20 VanDerWaalsContact CG2-CG2 3.43Å; V14-Y149 HydrophobicContact CB-CE1 4.39Å; V14-Y149 HydrophobicContact CG1-CE1 3.33Å; V14-Y149 WeakPolarHBondContact CG1-OH 3.47Å; V14-Y149 HydrophobicContact CG2-CE1 4.14Å
15	L	45.6	Very low	56.7	Low	152 Å²	152	78.3 Å²	78.3	80%	0.796	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.5	-179.2	-69.1	169.5	0	0	0	113.4
16	G	40.1	Very low	58.1	Low	49 Å²	49	74.2 Å²	74.2	51%	0.505	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.3	-176.8	0	0	0	0	0	115.8	V14 Q18	V14-G16 PolarHBondContact O-N 2.96Å; G16-Q18 VanDerWaalsContact C-N 3.3Å; G16-Q18 PolarHBondContact O-N 3.18Å
17	G	38.1	Very low	59.7	Low	43 Å²	43	74.7 Å²	74.7	44%	0.443	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	31.8	-176.7	0	0	0	0	0	114.6
18	Q	42.1	Very low	61.2	Low	165 Å²	165	73.2 Å²	73.2	77%	0.771	41%	0.407	S	S	*	.	S	Bend	trans	-108.6	134.3	159.8	-76.7	-174.8	-17.2	0	0	108	G16 T20	G16-Q18 VanDerWaalsContact C-N 3.3Å; G16-Q18 PolarHBondContact O-N 3.18Å; Q18-T20 PolarHBondContact O-N 2.99Å; Q18-T20 VanDerWaalsContact O-N 3.13Å
19	I	50.9	Low	62.9	Low	130 Å²	130	69.5 Å²	69.5	67%	0.667	39%	0.389	S	S	*	.			trans	-23.8	112.7	175	-59.3	165.3	0	0	0	110.6	N21	I19-N21 PolarHBondContact O-N 3.19Å
20	T	58.2	Low	64.5	Low	8 Å²	8	67.7 Å²	67.7	5%	0.049	38%	0.383	C	S	.	.			trans	-67	65.5	-173.3	36.2	0	0	0	0	113.5	V14 Q18 Y22 R146 D150	V14-T20 HydrophobicContact CB-CG2 4.26Å; V14-T20 HydrophobicContact CG2-CG2 3.43Å; V14-T20 VanDerWaalsContact CG2-CG2 3.43Å; Q18-T20 PolarHBondContact O-N 2.99Å; Q18-T20 VanDerWaalsContact O-N 3.13Å; T20-Y22 PolarHBondContact O-N 3.09Å; T20-Y22 VanDerWaalsContact O-N 3.16Å; T20-R146 VanDerWaalsContact C-CZ 3.42Å; T20-R146 VanDerWaalsContact N-NH2 3.12Å; T20-R146 PolarHBondContact O-NE 3.21Å; T20-R146 PolarHBondContact O-NH1 2.97Å; T20-R146 PolarHBondContact O-NH2 3.23Å; T20-R146 PolarHBondContact OG1-NE 2.91Å; T20-R146 PolarHBondContact OG1-NH2 3.35Å; T20-D150 PolarHBondContact OG1-OD1 2.79Å; T20-D150 PolarHBondContact OG1-OD2 2.82Å; T20-D150 VanDerWaalsContact OG1-OD2 3.07Å
21	N	67.8	Low	66.3	Low	110 Å²	110	71.6 Å²	71.6	59%	0.588	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-54.2	116.6	-176.3	-74.5	-28.5	0	0	0	112.1	W9 I19	W9-N21 WeakPolarHBondContact CH2-O 3.37Å; W9-N21 WeakPolarHBondContact CZ2-O 3.37Å; I19-N21 PolarHBondContact O-N 3.19Å
22	Y	73.6	Confident	68.2	Low	39 Å²	39	69 Å²	69	15%	0.153	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-46.6	146.2	-178.8	-63.1	-62.3	0	0	0	113.7	T20 F26 L142 D143 F178	T20-Y22 PolarHBondContact O-N 3.09Å; T20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-F26 HydrophobicContact CD1-CD1 4.12Å; Y22-F26 HydrophobicContact CD1-CE1 4.01Å; Y22-F26 HydrophobicContact CD2-CD1 4.43Å; Y22-F26 HydrophobicContact CD2-CE1 4.28Å; Y22-F26 HydrophobicContact CE1-CE1 4.34Å; Y22-F26 AromaticContact CG-CD1 3.87Å; Y22-F26 HydrophobicContact CG-CD1 3.87Å; Y22-F26 AromaticContact CG-CE1 3.98Å; Y22-F26 HydrophobicContact CG-CE1 3.98Å; Y22-L142 HydrophobicContact CE1-CD2 3.76Å; Y22-L142 HydrophobicContact CE1-CG 4.18Å; Y22-D143 WeakPolarHBondContact CE2-OD1 3.4Å; Y22-D143 VanDerWaalsContact CZ-OD1 3.29Å; Y22-D143 WeakPolarHBondContact OH-CA 3.35Å; Y22-D143 PolarHBondContact OH-OD1 3.24Å; Y22-F178 HydrophobicContact CE1-CE2 4.37Å; Y22-F178 HydrophobicContact CE1-CZ 4.32Å
23	H	77.5	Confident	70.1	Confident	34 Å²	34	65.8 Å²	65.8	16%	0.157	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-51.8	136.7	176.6	-172.3	-76.2	0	0	0	110.9	M1 W9 D25 F26 V27	M1-H23 HydrophobicContact CE-CB 4.4Å; M1-H23 WeakPolarHBondContact CE-CE1 3.41Å; M1-H23 VanDerWaalsContact CE-CG 3.46Å; M1-H23 WeakPolarHBondContact CE-ND1 3.37Å; M1-H23 WeakPolarHBondContact CE-NE2 3.37Å; W9-H23 AromaticContact CD1-CD2 3.66Å; W9-H23 HydrophobicContact CD2-CB 4.34Å; W9-H23 AromaticContact CG-CD2 3.83Å; H23-D25 VanDerWaalsContact C-N 3.32Å; H23-D25 VanDerWaalsContact CE1-CG 3.48Å; H23-D25 IonicContact CE1-OD1 3.08Å; H23-D25 IonicContact CE1-OD2 3.91Å; H23-D25 WeakPolarHBondContact ND1-CB 3.23Å; H23-D25 PolarHBondContact ND1-N 3.43Å; H23-D25 IonicContact ND1-OD1 3.9Å; H23-D25 PolarHBondContact O-N 2.99Å; H23-F26 WeakPolarHBondContact O-CB 3.38Å; H23-F26 PolarHBondContact O-N 3.22Å; H23-V27 PolarHBondContact O-N 3.11Å
24	P	82.8	Confident	72.1	Confident	81 Å²	81	65.4 Å²	65.4	53%	0.526	36%	0.363	S	S	.	.	H	α-helix	trans	-48.1	-48.3	-178.2	-30.1	33.8	0	0	0	114.1	F26 V27 T28	P24-F26 VanDerWaalsContact C-N 3.3Å; P24-F26 PolarHBondContact O-N 2.93Å; P24-V27 WeakPolarHBondContact O-CB 3.09Å; P24-V27 PolarHBondContact O-N 2.97Å; P24-V27 VanDerWaalsContact O-N 3.14Å; P24-T28 PolarHBondContact O-N 3.45Å; P24-T28 PolarHBondContact O-OG1 3.24Å; P24-T28 VanDerWaalsContact O-OG1 3.11Å
25	D	81	Confident	74.5	Confident	76 Å²	76	71.2 Å²	71.2	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-56.1	-38.9	177.3	-63.8	7.2	0	0	0	114.2	M1 H23 T28 K29	M1-D25 HydrophobicContact CE-CB 4.02Å; H23-D25 VanDerWaalsContact C-N 3.32Å; H23-D25 VanDerWaalsContact CE1-CG 3.48Å; H23-D25 IonicContact CE1-OD1 3.08Å; H23-D25 IonicContact CE1-OD2 3.91Å; H23-D25 WeakPolarHBondContact ND1-CB 3.23Å; H23-D25 PolarHBondContact ND1-N 3.43Å; H23-D25 IonicContact ND1-OD1 3.9Å; H23-D25 PolarHBondContact O-N 2.99Å; D25-T28 PolarHBondContact O-N 2.94Å; D25-K29 WeakPolarHBondContact O-CG 3.33Å; D25-K29 PolarHBondContact O-N 3.14Å
26	F	85.1	Confident	76.8	Confident	12 Å²	12	65.3 Å²	65.3	5%	0.053	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-44.5	178.6	177.1	-95.6	0	0	0	110.4	Y22 H23 P24 T28 K29 L30 L142 I185 L189	Y22-F26 HydrophobicContact CD1-CD1 4.12Å; Y22-F26 HydrophobicContact CD1-CE1 4.01Å; Y22-F26 HydrophobicContact CD2-CD1 4.43Å; Y22-F26 HydrophobicContact CD2-CE1 4.28Å; Y22-F26 HydrophobicContact CE1-CE1 4.34Å; Y22-F26 AromaticContact CG-CD1 3.87Å; Y22-F26 HydrophobicContact CG-CD1 3.87Å; Y22-F26 AromaticContact CG-CE1 3.98Å; Y22-F26 HydrophobicContact CG-CE1 3.98Å; H23-F26 WeakPolarHBondContact O-CB 3.38Å; H23-F26 PolarHBondContact O-N 3.22Å; P24-F26 VanDerWaalsContact C-N 3.3Å; P24-F26 PolarHBondContact O-N 2.93Å; F26-T28 VanDerWaalsContact C-N 3.32Å; F26-T28 PolarHBondContact O-N 2.94Å; F26-K29 PolarHBondContact O-N 3.2Å; F26-L30 HydrophobicContact CD1-CD1 3.7Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 3.21Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CZ-CD1 3.71Å; F26-L30 HydrophobicContact CZ-CG 4.33Å; F26-L30 WeakPolarHBondContact O-CG 3.38Å; F26-L30 PolarHBondContact O-N 2.93Å; F26-L142 HydrophobicContact CE1-CD2 4.12Å; F26-L142 HydrophobicContact CE2-CD2 4.43Å; F26-L142 HydrophobicContact CZ-CD2 3.61Å; F26-I185 HydrophobicContact CE2-CB 4.3Å; F26-I185 HydrophobicContact CE2-CG2 3.47Å; F26-I185 VanDerWaalsContact CE2-CG2 3.47Å; F26-I185 HydrophobicContact CZ-CD1 4.31Å; F26-I185 HydrophobicContact CZ-CG2 3.72Å; F26-L189 HydrophobicContact CD2-CD1 3.56Å; F26-L189 HydrophobicContact CE2-CD1 3.55Å; F26-L189 HydrophobicContact CZ-CD1 4.46Å
27	V	86.3	Confident	79.5	Confident	53 Å²	53	63 Å²	63	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-42.4	174.8	-179.4	0	0	0	0	110.6	H23 P24 L30 N31	H23-V27 PolarHBondContact O-N 3.11Å; P24-V27 WeakPolarHBondContact O-CB 3.09Å; P24-V27 PolarHBondContact O-N 2.97Å; P24-V27 VanDerWaalsContact O-N 3.14Å; V27-L30 PolarHBondContact O-N 2.66Å; V27-N31 WeakPolarHBondContact O-CB 3.45Å; V27-N31 PolarHBondContact O-N 2.64Å; V27-N31 PolarHBondContact O-ND2 3.32Å
28	T	90.2	Very high	82.3	Confident	87 Å²	87	64.3 Å²	64.3	53%	0.534	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-46.9	176.9	-61.1	0	0	0	0	111.8	P24 D25 F26 L30 N31 Q32	P24-T28 PolarHBondContact O-N 3.45Å; P24-T28 PolarHBondContact O-OG1 3.24Å; P24-T28 VanDerWaalsContact O-OG1 3.11Å; D25-T28 PolarHBondContact O-N 2.94Å; F26-T28 VanDerWaalsContact C-N 3.32Å; F26-T28 PolarHBondContact O-N 2.94Å; T28-L30 PolarHBondContact O-N 3.01Å; T28-N31 PolarHBondContact O-N 2.78Å; T28-Q32 WeakPolarHBondContact O-CB 3.37Å; T28-Q32 PolarHBondContact O-N 3.34Å
29	K	90.4	Very high	84.9	Confident	60 Å²	60	60.2 Å²	60.2	26%	0.261	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177	-76	-172.2	176.2	-168.1	0	112	D25 F26 Q32 I33 L189 D190	D25-K29 WeakPolarHBondContact O-CG 3.33Å; D25-K29 PolarHBondContact O-N 3.14Å; F26-K29 PolarHBondContact O-N 3.2Å; K29-Q32 WeakPolarHBondContact O-CB 3.49Å; K29-Q32 PolarHBondContact O-N 2.98Å; K29-I33 WeakPolarHBondContact O-CG1 3.46Å; K29-I33 PolarHBondContact O-N 3.34Å; K29-L189 HydrophobicContact CB-CD1 4.15Å; K29-L189 HydrophobicContact CB-CD2 4.33Å; K29-L189 HydrophobicContact CD-CB 4.17Å; K29-L189 HydrophobicContact CD-CD1 4.4Å; K29-D190 IonicContact NZ-OD1 2.78Å; K29-D190 PolarHBondContact NZ-OD1 3.21Å
30	L	89.6	Confident	87.1	Confident	17 Å²	17	54.3 Å²	54.3	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-47.3	175.8	-77.9	174.1	0	0	0	111.8	F26 V27 T28 Q32 I33 E34 I135 K139 L189	F26-L30 HydrophobicContact CD1-CD1 3.7Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 3.21Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CZ-CD1 3.71Å; F26-L30 HydrophobicContact CZ-CG 4.33Å; F26-L30 WeakPolarHBondContact O-CG 3.38Å; F26-L30 PolarHBondContact O-N 2.93Å; V27-L30 PolarHBondContact O-N 2.66Å; T28-L30 PolarHBondContact O-N 3.01Å; L30-Q32 PolarHBondContact O-N 3.02Å; L30-I33 PolarHBondContact O-N 3.47Å; L30-E34 WeakPolarHBondContact O-CG 3.37Å; L30-E34 PolarHBondContact O-N 3.47Å; L30-I135 HydrophobicContact CD2-CG2 3.95Å; L30-K139 HydrophobicContact CD1-CG 3.95Å; L30-K139 HydrophobicContact CD2-CG 4.29Å; L30-L189 HydrophobicContact CD2-CD2 4.07Å; L30-L189 HydrophobicContact CG-CD1 4.49Å
31	N	90.8	Very high	88.9	Confident	99 Å²	99	58.6 Å²	58.6	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-35.3	176.8	-71.3	-19	0	0	0	111.8	V27 T28 E34 K35	V27-N31 WeakPolarHBondContact O-CB 3.45Å; V27-N31 PolarHBondContact O-N 2.64Å; V27-N31 PolarHBondContact O-ND2 3.32Å; T28-N31 PolarHBondContact O-N 2.78Å; N31-E34 PolarHBondContact O-N 2.96Å; N31-K35 WeakPolarHBondContact O-CB 3.39Å; N31-K35 PolarHBondContact O-N 3.44Å
32	Q	93.6	Very high	90.3	Very high	72 Å²	72	58.4 Å²	58.4	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-45.7	174.9	-173.9	176.2	2.1	0	0	111.2	T28 K29 L30 K35 M36 L192 E196	T28-Q32 WeakPolarHBondContact O-CB 3.37Å; T28-Q32 PolarHBondContact O-N 3.34Å; K29-Q32 WeakPolarHBondContact O-CB 3.49Å; K29-Q32 PolarHBondContact O-N 2.98Å; L30-Q32 PolarHBondContact O-N 3.02Å; Q32-K35 PolarHBondContact O-N 3.27Å; Q32-M36 HydrophobicContact CG-CG 4.44Å; Q32-M36 HydrophobicContact CG-SD 3.97Å; Q32-M36 WeakPolarHBondContact O-CB 3.41Å; Q32-M36 WeakPolarHBondContact O-CG 3.27Å; Q32-M36 PolarHBondContact O-N 3.05Å; Q32-L192 HydrophobicContact CB-CD1 4.46Å; Q32-L192 HydrophobicContact CG-CD1 4.25Å; Q32-E196 PolarHBondContact NE2-OE1 3.24Å
33	I	93.2	Very high	91.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-42.9	176.8	-67.7	-175.9	0	0	0	111.7	K29 L30 M36 S37 A132 I135 L189 L192	K29-I33 WeakPolarHBondContact O-CG1 3.46Å; K29-I33 PolarHBondContact O-N 3.34Å; L30-I33 PolarHBondContact O-N 3.47Å; I33-M36 PolarHBondContact O-N 3.48Å; I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.44Å; I33-A132 HydrophobicContact CG2-CB 4.44Å; I33-I135 HydrophobicContact CD1-CD1 3.49Å; I33-I135 VanDerWaalsContact CD1-CD1 3.49Å; I33-I135 HydrophobicContact CD1-CG2 4.31Å; I33-I135 HydrophobicContact CG2-CD1 4.3Å; I33-L189 HydrophobicContact CD1-CD2 3.36Å; I33-L189 HydrophobicContact CG1-CD2 4.45Å; I33-L192 HydrophobicContact CD1-CD1 3.92Å; I33-L192 HydrophobicContact CG1-CD1 3.43Å; I33-L192 VanDerWaalsContact CG1-CD1 3.43Å
34	E	92	Very high	92.1	Very high	69 Å²	69	57.8 Å²	57.8	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-47.5	177.2	-72.3	-60.3	159.6	0	0	111.5	L30 N31 S37 V38 R136	L30-E34 WeakPolarHBondContact O-CG 3.37Å; L30-E34 PolarHBondContact O-N 3.47Å; N31-E34 PolarHBondContact O-N 2.96Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 2.82Å; E34-V38 PolarHBondContact O-N 3.44Å; E34-V38 VanDerWaalsContact O-N 3.14Å; E34-R136 VanDerWaalsContact CD-NE 3.28Å; E34-R136 WeakPolarHBondContact OE1-CD 3.32Å; E34-R136 WeakPolarHBondContact OE1-CG 3.45Å; E34-R136 IonicContact OE1-CZ 3.48Å; E34-R136 IonicContact OE1-NE 2.67Å; E34-R136 PolarHBondContact OE1-NE 2.89Å; E34-R136 IonicContact OE1-NH2 2.64Å; E34-R136 IonicContact OE2-CZ 3.71Å; E34-R136 VanDerWaalsContact OE2-CZ 3.24Å; E34-R136 IonicContact OE2-NE 2.65Å; E34-R136 PolarHBondContact OE2-NE 3.46Å; E34-R136 IonicContact OE2-NH2 3.01Å; E34-R136 PolarHBondContact OE2-NH2 3.32Å
35	K	95	Very high	92.5	Very high	138 Å²	138	60.3 Å²	60.3	60%	0.6	30%	0.304	S	S	*	.	H	α-helix	trans	-61.7	-47.8	176.8	-174.5	177.1	178.1	-176.6	0	111.4	N31 Q32 S37 V38 D39	N31-K35 WeakPolarHBondContact O-CB 3.39Å; N31-K35 PolarHBondContact O-N 3.44Å; Q32-K35 PolarHBondContact O-N 3.27Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 2.91Å; K35-V38 PolarHBondContact O-N 3.35Å; K35-V38 VanDerWaalsContact O-N 3.14Å; K35-D39 PolarHBondContact O-N 3.46Å
36	M	95.4	Very high	93.1	Very high	27 Å²	27	59.5 Å²	59.5	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-41.7	176.1	-75.8	173.5	65.9	0	0	111.7	Q32 I33 V38 D39 V40 F127 E196 I199	Q32-M36 HydrophobicContact CG-CG 4.44Å; Q32-M36 HydrophobicContact CG-SD 3.97Å; Q32-M36 WeakPolarHBondContact O-CB 3.41Å; Q32-M36 WeakPolarHBondContact O-CG 3.27Å; Q32-M36 PolarHBondContact O-N 3.05Å; I33-M36 PolarHBondContact O-N 3.48Å; M36-V38 VanDerWaalsContact C-N 3.3Å; M36-V38 PolarHBondContact O-N 3.04Å; M36-D39 PolarHBondContact O-N 3.02Å; M36-V40 WeakPolarHBondContact O-CB 3.46Å; M36-V40 WeakPolarHBondContact O-CG2 3.42Å; M36-V40 PolarHBondContact O-N 3.38Å; M36-F127 HydrophobicContact CB-CE1 4.12Å; M36-F127 HydrophobicContact CB-CZ 3.98Å; M36-F127 HydrophobicContact CE-CZ 4.28Å; M36-E196 HydrophobicContact CE-CG 3.63Å; M36-E196 HydrophobicContact SD-CG 4.17Å; M36-I199 HydrophobicContact CE-CD1 3.46Å; M36-I199 VanDerWaalsContact CE-CD1 3.46Å
37	S	95.3	Very high	93.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-41.4	177.7	177.4	0	0	0	0	111.6	I33 E34 K35 Q41 R136	I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.44Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 2.82Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 2.91Å; S37-Q41 VanDerWaalsContact O-CG 3.3Å; S37-Q41 WeakPolarHBondContact O-CG 3.46Å; S37-Q41 PolarHBondContact O-N 3.38Å; S37-Q41 VanDerWaalsContact O-N 3.17Å; S37-R136 PolarHBondContact OG-NH2 3.06Å
38	V	96.6	Very high	93.6	Very high	71 Å²	71	61.9 Å²	61.9	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-69.8	-47	177.1	174.4	0	0	0	0	110.8	E34 K35 M36 V40 Q41 L42	E34-V38 PolarHBondContact O-N 3.44Å; E34-V38 VanDerWaalsContact O-N 3.14Å; K35-V38 PolarHBondContact O-N 3.35Å; K35-V38 VanDerWaalsContact O-N 3.14Å; M36-V38 VanDerWaalsContact C-N 3.3Å; M36-V38 PolarHBondContact O-N 3.04Å; V38-V40 VanDerWaalsContact C-N 3.31Å; V38-V40 PolarHBondContact O-N 3.21Å; V38-Q41 WeakPolarHBondContact O-CB 3.36Å; V38-Q41 PolarHBondContact O-N 2.77Å; V38-Q41 VanDerWaalsContact O-N 3.14Å; V38-L42 HydrophobicContact CG1-CD1 4.4Å; V38-L42 PolarHBondContact O-N 3.28Å
39	D	97.3	Very high	93.3	Very high	80 Å²	80	62 Å²	62	43%	0.428	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-38.7	-178.9	-69.3	-17.9	0	0	0	111.3	K35 M36 L42 L43	K35-D39 PolarHBondContact O-N 3.46Å; M36-D39 PolarHBondContact O-N 3.02Å; D39-L42 PolarHBondContact O-N 3.39Å; D39-L43 WeakPolarHBondContact O-CB 3.43Å; D39-L43 PolarHBondContact O-N 3.11Å
40	V	97.3	Very high	93.1	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-37	174.9	173.9	0	0	0	0	111.8	M36 V38 L42 L43 I44 L124 F127 V128 I199	M36-V40 WeakPolarHBondContact O-CB 3.46Å; M36-V40 WeakPolarHBondContact O-CG2 3.42Å; M36-V40 PolarHBondContact O-N 3.38Å; V38-V40 VanDerWaalsContact C-N 3.31Å; V38-V40 PolarHBondContact O-N 3.21Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.14Å; V40-L43 WeakPolarHBondContact O-CB 3.45Å; V40-L43 PolarHBondContact O-N 2.98Å; V40-I44 HydrophobicContact CG1-CD1 4.04Å; V40-I44 HydrophobicContact CG1-CG1 4.32Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.5Å; V40-I44 PolarHBondContact O-N 2.99Å; V40-L124 HydrophobicContact CG1-CB 3.92Å; V40-L124 HydrophobicContact CG1-CD2 3.87Å; V40-L124 HydrophobicContact CG1-CG 4.38Å; V40-F127 HydrophobicContact CB-CD1 4.26Å; V40-F127 HydrophobicContact CB-CE1 4.41Å; V40-F127 HydrophobicContact CG1-CD1 4.28Å; V40-F127 HydrophobicContact CG2-CD1 4.04Å; V40-F127 HydrophobicContact CG2-CE1 4.02Å; V40-V128 HydrophobicContact CB-CG2 3.86Å; V40-V128 HydrophobicContact CG1-CG2 3.48Å; V40-V128 VanDerWaalsContact CG1-CG2 3.48Å; V40-I199 HydrophobicContact CG2-CD1 3.52Å; V40-I199 HydrophobicContact CG2-CG1 3.81Å; V40-I199 HydrophobicContact CG2-CG2 4.1Å
41	Q	96.6	Very high	92.9	Very high	99 Å²	99	64.5 Å²	64.5	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-42.8	173.2	-78.6	174.2	-9.9	0	0	111.8	S37 V38 L43 I44 K45 V128	S37-Q41 VanDerWaalsContact O-CG 3.3Å; S37-Q41 WeakPolarHBondContact O-CG 3.46Å; S37-Q41 PolarHBondContact O-N 3.38Å; S37-Q41 VanDerWaalsContact O-N 3.17Å; V38-Q41 WeakPolarHBondContact O-CB 3.36Å; V38-Q41 PolarHBondContact O-N 2.77Å; V38-Q41 VanDerWaalsContact O-N 3.14Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-I44 PolarHBondContact O-N 3.44Å; Q41-K45 PolarHBondContact O-N 2.95Å; Q41-K45 VanDerWaalsContact O-N 3.07Å; Q41-V128 HydrophobicContact CG-CB 4.42Å; Q41-V128 HydrophobicContact CG-CG1 3.43Å; Q41-V128 VanDerWaalsContact CG-CG1 3.43Å; Q41-V128 HydrophobicContact CG-CG2 4.08Å
42	L	96.1	Very high	92.1	Very high	106 Å²	106	60.6 Å²	60.6	56%	0.555	30%	0.3	S	S	*	.	H	α-helix	trans	-64.8	-40.2	175.6	-67.6	173.8	0	0	0	111.5	V38 D39 V40 K45 S46	V38-L42 HydrophobicContact CG1-CD1 4.4Å; V38-L42 PolarHBondContact O-N 3.28Å; D39-L42 PolarHBondContact O-N 3.39Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.14Å; L42-K45 WeakPolarHBondContact O-CB 3.47Å; L42-K45 PolarHBondContact O-N 3.46Å; L42-S46 PolarHBondContact O-N 3.46Å
43	L	95.8	Very high	90.4	Very high	50 Å²	50	62 Å²	62	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-47.6	175.2	-177.2	64.8	0	0	0	112.1	D39 V40 Q41 K45 S46 M47 L124	D39-L43 WeakPolarHBondContact O-CB 3.43Å; D39-L43 PolarHBondContact O-N 3.11Å; V40-L43 WeakPolarHBondContact O-CB 3.45Å; V40-L43 PolarHBondContact O-N 2.98Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 2.95Å; L43-S46 PolarHBondContact O-N 3.04Å; L43-S46 PolarHBondContact O-OG 3.19Å; L43-M47 HydrophobicContact CD1-CE 3.8Å; L43-M47 HydrophobicContact CD1-CG 4.43Å; L43-M47 HydrophobicContact CD1-SD 4.49Å; L43-M47 HydrophobicContact CD2-CE 3.96Å; L43-M47 HydrophobicContact CG-CE 3.78Å; L43-M47 HydrophobicContact CG-SD 4.12Å; L43-M47 WeakPolarHBondContact O-CB 3.41Å; L43-M47 WeakPolarHBondContact O-CG 3.49Å; L43-M47 PolarHBondContact O-N 3.43Å; L43-L124 HydrophobicContact CD2-CD1 4.26Å
44	I	94.1	Very high	88.8	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-57	-43.3	176	-69.1	165.8	0	0	0	109.8	V40 Q41 M47 R48 F121 L124 V128	V40-I44 HydrophobicContact CG1-CD1 4.04Å; V40-I44 HydrophobicContact CG1-CG1 4.32Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.5Å; V40-I44 PolarHBondContact O-N 2.99Å; Q41-I44 PolarHBondContact O-N 3.44Å; I44-M47 PolarHBondContact O-N 3.2Å; I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.4Å; I44-F121 HydrophobicContact CG2-CD1 4.17Å; I44-F121 HydrophobicContact CG2-CE1 4.28Å; I44-L124 HydrophobicContact CD1-CB 3.77Å; I44-L124 HydrophobicContact CG1-CB 3.75Å; I44-L124 HydrophobicContact CG1-CD1 4.03Å; I44-V128 HydrophobicContact CD1-CG2 4.34Å
45	K	91.6	Very high	87	Confident	133 Å²	133	70.7 Å²	70.7	58%	0.578	36%	0.363	S	S	*	.	H	α-helix	trans	-61.6	-51.2	177.9	-173.4	-179.4	176.5	-176.9	0	111.4	Q41 L42 L43 M47 R48 D49	Q41-K45 PolarHBondContact O-N 2.95Å; Q41-K45 VanDerWaalsContact O-N 3.07Å; L42-K45 WeakPolarHBondContact O-CB 3.47Å; L42-K45 PolarHBondContact O-N 3.46Å; L43-K45 PolarHBondContact O-N 2.95Å; K45-M47 VanDerWaalsContact C-N 3.3Å; K45-M47 PolarHBondContact O-N 3.07Å; K45-R48 WeakPolarHBondContact O-CB 3.47Å; K45-R48 PolarHBondContact O-N 2.87Å; K45-R48 VanDerWaalsContact O-N 3.1Å; K45-D49 VanDerWaalsContact O-CG 3.29Å; K45-D49 PolarHBondContact O-N 2.93Å
46	S	92.2	Very high	85.1	Confident	60 Å²	60	71.8 Å²	71.8	42%	0.42	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-36.7	-179.3	86.4	0	0	0	0	112.4	L42 L43 R48 D49 M50	L42-S46 PolarHBondContact O-N 3.46Å; L43-S46 PolarHBondContact O-N 3.04Å; L43-S46 PolarHBondContact O-OG 3.19Å; S46-R48 VanDerWaalsContact C-N 3.34Å; S46-D49 PolarHBondContact O-N 3.31Å; S46-M50 WeakPolarHBondContact O-CG 3.34Å; S46-M50 PolarHBondContact O-N 2.92Å
47	M	93	Very high	83	Confident	10 Å²	10	75.1 Å²	75.1	5%	0.049	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-39.6	174.6	-78.2	178.4	175	0	0	111.5	L43 I44 K45 M50 V51 F121 L124 F206	L43-M47 HydrophobicContact CD1-CE 3.8Å; L43-M47 HydrophobicContact CD1-CG 4.43Å; L43-M47 HydrophobicContact CD1-SD 4.49Å; L43-M47 HydrophobicContact CD2-CE 3.96Å; L43-M47 HydrophobicContact CG-CE 3.78Å; L43-M47 HydrophobicContact CG-SD 4.12Å; L43-M47 WeakPolarHBondContact O-CB 3.41Å; L43-M47 WeakPolarHBondContact O-CG 3.49Å; L43-M47 PolarHBondContact O-N 3.43Å; I44-M47 PolarHBondContact O-N 3.2Å; K45-M47 VanDerWaalsContact C-N 3.3Å; K45-M47 PolarHBondContact O-N 3.07Å; M47-M50 WeakPolarHBondContact O-CB 3.28Å; M47-M50 PolarHBondContact O-N 3.48Å; M47-V51 WeakPolarHBondContact O-CG2 3.45Å; M47-V51 PolarHBondContact O-N 3.03Å; M47-V51 VanDerWaalsContact O-N 3.12Å; M47-F121 HydrophobicContact CB-CE1 3.56Å; M47-F121 HydrophobicContact CB-CZ 3.94Å; M47-F121 HydrophobicContact SD-CE1 4.38Å; M47-L124 HydrophobicContact CE-CD1 4.45Å; M47-L124 HydrophobicContact SD-CD1 3.95Å; M47-F206 HydrophobicContact CB-CD2 4.11Å; M47-F206 HydrophobicContact CB-CE2 3.69Å; M47-F206 HydrophobicContact CB-CZ 4.14Å; M47-F206 HydrophobicContact CE-CB 3.91Å; M47-F206 HydrophobicContact CE-CD2 4.37Å; M47-F206 HydrophobicContact CE-CG 4.02Å; M47-F206 HydrophobicContact CG-CD1 4.44Å; M47-F206 HydrophobicContact CG-CD2 3.84Å; M47-F206 HydrophobicContact CG-CE1 4.42Å; M47-F206 HydrophobicContact CG-CE2 3.81Å; M47-F206 HydrophobicContact CG-CG 4.17Å; M47-F206 HydrophobicContact CG-CZ 4.12Å; M47-F206 HydrophobicContact SD-CB 4.39Å; M47-F206 HydrophobicContact SD-CD2 3.88Å; M47-F206 HydrophobicContact SD-CE2 4.41Å; M47-F206 HydrophobicContact SD-CG 4.15Å
48	R	88.8	Confident	80.7	Confident	105 Å²	105	80.6 Å²	80.6	40%	0.396	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-45.2	174.7	-76	175.5	173.5	-178.6	-5.5	111.9	I44 K45 S46 M50 V51 D52 F121	I44-R48 WeakPolarHBondContact O-CG 3.44Å; I44-R48 PolarHBondContact O-N 3.4Å; K45-R48 WeakPolarHBondContact O-CB 3.47Å; K45-R48 PolarHBondContact O-N 2.87Å; K45-R48 VanDerWaalsContact O-N 3.1Å; S46-R48 VanDerWaalsContact C-N 3.34Å; R48-M50 PolarHBondContact O-N 3.13Å; R48-V51 PolarHBondContact O-N 3.4Å; R48-D52 PolarHBondContact O-N 3.48Å; R48-F121 HydrophobicContact CB-CZ 4.34Å; R48-F121 HydrophobicContact CG-CE1 3.85Å; R48-F121 HydrophobicContact CG-CE2 4.02Å; R48-F121 HydrophobicContact CG-CZ 3.44Å; R48-F121 VanDerWaalsContact CG-CZ 3.44Å
49	D	85.5	Confident	78.5	Confident	88 Å²	88	79.8 Å²	79.8	47%	0.471	40%	0.4	S	S	.	.	H	α-helix	trans	-60.3	-34.2	178.1	-61.5	-20.1	0	0	0	111.6	K45 S46 P53	K45-D49 VanDerWaalsContact O-CG 3.29Å; K45-D49 PolarHBondContact O-N 2.93Å; S46-D49 PolarHBondContact O-N 3.31Å; D49-P53 VanDerWaalsContact O-CA 3.3Å; D49-P53 WeakPolarHBondContact O-CA 3.17Å; D49-P53 WeakPolarHBondContact O-CG 3.43Å
50	M	86.2	Confident	76.6	Confident	113 Å²	113	79.1 Å²	79.1	56%	0.557	40%	0.397	S	S	*	.	H	α-helix	trans	-69.9	-36.3	174.7	-78.4	-70.9	-57	0	0	113.5	S46 M47 R48 F206	S46-M50 WeakPolarHBondContact O-CG 3.34Å; S46-M50 PolarHBondContact O-N 2.92Å; M47-M50 WeakPolarHBondContact O-CB 3.28Å; M47-M50 PolarHBondContact O-N 3.48Å; R48-M50 PolarHBondContact O-N 3.13Å; M50-F206 HydrophobicContact CB-CZ 4.07Å
51	V	84.4	Confident	74.4	Confident	18 Å²	18	80.8 Å²	80.8	11%	0.109	41%	0.408	C	S	.	.	H	α-helix	trans	-80.6	-36.9	-176.8	179.4	0	0	0	0	111.1	M47 R48 F59 F112 L113 V116 F206	M47-V51 WeakPolarHBondContact O-CG2 3.45Å; M47-V51 PolarHBondContact O-N 3.03Å; M47-V51 VanDerWaalsContact O-N 3.12Å; R48-V51 PolarHBondContact O-N 3.4Å; V51-F59 HydrophobicContact CB-CE2 4.15Å; V51-F59 HydrophobicContact CG1-CE2 3.36Å; V51-F59 HydrophobicContact CG1-CZ 3.74Å; V51-F112 HydrophobicContact CB-CE1 4.32Å; V51-F112 HydrophobicContact CG1-CD1 4.48Å; V51-F112 HydrophobicContact CG1-CE1 3.76Å; V51-F112 HydrophobicContact CG1-CZ 4.45Å; V51-F112 HydrophobicContact CG2-CE1 3.97Å; V51-F112 HydrophobicContact CG2-CZ 3.84Å; V51-L113 HydrophobicContact CG1-CD2 3.16Å; V51-V116 HydrophobicContact CG2-CG1 4.16Å; V51-F206 HydrophobicContact CG2-CE2 3.58Å; V51-F206 HydrophobicContact CG2-CZ 3.87Å
52	D	74	Confident	72.1	Confident	17 Å²	17	80.1 Å²	80.1	9%	0.091	42%	0.419	C	S	.	.			trans	-142.9	86.1	177.9	-176	8.1	0	0	0	111.7	R48 N54 L55 R56 W57	R48-D52 PolarHBondContact O-N 3.48Å; D52-N54 PolarHBondContact O-N 3.32Å; D52-N54 VanDerWaalsContact O-N 3.13Å; D52-N54 PolarHBondContact OD1-N 3.43Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 PolarHBondContact OD1-N 3.16Å; D52-L55 VanDerWaalsContact OD1-N 3.16Å; D52-L55 VanDerWaalsContact OD2-CA 3.3Å; D52-L55 WeakPolarHBondContact OD2-CA 3.36Å; D52-R56 VanDerWaalsContact CG-N 3.34Å; D52-R56 PolarHBondContact OD1-N 2.69Å; D52-R56 PolarHBondContact OD2-N 2.78Å; D52-W57 WeakPolarHBondContact OD2-CA 3.33Å; D52-W57 WeakPolarHBondContact OD2-CB 3.48Å; D52-W57 PolarHBondContact OD2-N 3.47Å
53	P	58.7	Low	69.9	Low	101 Å²	101	82.9 Å²	82.9	66%	0.656	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	-176.8	-19.7	30.2	0	0	0	113.9	D49	D49-P53 VanDerWaalsContact O-CA 3.3Å; D49-P53 WeakPolarHBondContact O-CA 3.17Å; D49-P53 WeakPolarHBondContact O-CG 3.43Å
54	N	59.3	Low	67.7	Low	101 Å²	101	81.9 Å²	81.9	54%	0.54	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	6.6	-172	-72.9	-40.4	0	0	0	112.5	D52 R56	D52-N54 PolarHBondContact O-N 3.32Å; D52-N54 VanDerWaalsContact O-N 3.13Å; D52-N54 PolarHBondContact OD1-N 3.43Å; N54-R56 HydrophobicContact CB-CG 3.63Å; N54-R56 PolarHBondContact ND2-NE 3.3Å; N54-R56 PolarHBondContact ND2-NH2 2.89Å; N54-R56 VanDerWaalsContact ND2-NH2 3.19Å; N54-R56 PolarHBondContact O-N 2.87Å
55	L	54.7	Low	65.5	Low	152 Å²	152	85.6 Å²	85.6	80%	0.796	45%	0.454	S	S	*	.			trans	50.9	26.1	-172.9	-64.2	159.1	0	0	0	112.5	D52 W57	D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 PolarHBondContact OD1-N 3.16Å; D52-L55 VanDerWaalsContact OD1-N 3.16Å; D52-L55 VanDerWaalsContact OD2-CA 3.3Å; D52-L55 WeakPolarHBondContact OD2-CA 3.36Å; L55-W57 PolarHBondContact O-N 3.32Å
56	R	54.4	Low	63.7	Low	162 Å²	162	82.4 Å²	82.4	61%	0.611	44%	0.443	S	S	*	.			trans	-62.9	-30.3	-175.8	-75.5	177.7	-167.7	-157.4	7.7	111.2	D52 N54	D52-R56 VanDerWaalsContact CG-N 3.34Å; D52-R56 PolarHBondContact OD1-N 2.69Å; D52-R56 PolarHBondContact OD2-N 2.78Å; N54-R56 HydrophobicContact CB-CG 3.63Å; N54-R56 PolarHBondContact ND2-NE 3.3Å; N54-R56 PolarHBondContact ND2-NH2 2.89Å; N54-R56 VanDerWaalsContact ND2-NH2 3.19Å; N54-R56 PolarHBondContact O-N 2.87Å
57	W	51.9	Low	61.8	Low	96 Å²	96	83.5 Å²	83.5	36%	0.364	45%	0.449	S	S	.	.	S	Bend	trans	-107.2	108	178	-64.3	96.6	0	0	0	108	D52 L55 F59 L64	D52-W57 WeakPolarHBondContact OD2-CA 3.33Å; D52-W57 WeakPolarHBondContact OD2-CB 3.48Å; D52-W57 PolarHBondContact OD2-N 3.47Å; L55-W57 PolarHBondContact O-N 3.32Å; W57-F59 PolarHBondContact O-N 3.49Å; W57-L64 HydrophobicContact CD2-CD2 4.4Å; W57-L64 HydrophobicContact CE3-CD2 3.67Å; W57-L64 HydrophobicContact CE3-CG 4.34Å; W57-L64 HydrophobicContact CH2-CD2 3.23Å; W57-L64 HydrophobicContact CZ2-CD2 4.01Å; W57-L64 HydrophobicContact CZ3-CD2 3.05Å; W57-L64 HydrophobicContact CZ3-CG 3.98Å
58	P	46.8	Very low	60	Low	115 Å²	115	90.6 Å²	90.6	75%	0.747	48%	0.482	S	S	*	.			trans	-61.3	96.2	158.6	25.5	-28.5	0	0	0	105.4	N60	P58-N60 VanDerWaalsContact C-N 3.34Å; P58-N60 PolarHBondContact O-N 3.37Å
59	F	50.1	Low	59	Low	54 Å²	54	91.8 Å²	91.8	24%	0.237	50%	0.496	C	S	.	.	S	Bend	trans	-49.6	94.9	-162.6	-147.6	-94.5	0	0	0	110.6	V51 W57 P61 L113 E117 F121	V51-F59 HydrophobicContact CB-CE2 4.15Å; V51-F59 HydrophobicContact CG1-CE2 3.36Å; V51-F59 HydrophobicContact CG1-CZ 3.74Å; W57-F59 PolarHBondContact O-N 3.49Å; F59-P61 HydrophobicContact CE1-CG 4.44Å; F59-L113 HydrophobicContact CE2-CD2 3.55Å; F59-L113 HydrophobicContact CZ-CB 4.38Å; F59-L113 HydrophobicContact CZ-CD2 3.68Å; F59-E117 WeakPolarHBondContact CD1-OE2 3.44Å; F59-E117 HydrophobicContact CE1-CB 4.23Å; F59-E117 WeakPolarHBondContact CE1-OE2 3.15Å; F59-F121 HydrophobicContact CD1-CE2 4.5Å; F59-F121 AromaticContact CE1-CD2 3.98Å; F59-F121 HydrophobicContact CE1-CD2 3.98Å; F59-F121 AromaticContact CE1-CE2 3.85Å; F59-F121 HydrophobicContact CE1-CE2 3.85Å; F59-F121 HydrophobicContact CZ-CD2 4.45Å; F59-F121 AromaticContact CZ-CE2 3.9Å; F59-F121 HydrophobicContact CZ-CE2 3.9Å
60	N	57.3	Low	58.6	Low	66 Å²	66	87.9 Å²	87.9	35%	0.353	47%	0.474	S	S	.	.			trans	-147.2	90.9	174.9	-169.5	-24.4	0	0	0	106.8	P58 A62 K63	P58-N60 VanDerWaalsContact C-N 3.34Å; P58-N60 PolarHBondContact O-N 3.37Å; N60-A62 PolarHBondContact O-N 3.02Å; N60-A62 WeakPolarHBondContact OD1-CA 3.37Å; N60-A62 VanDerWaalsContact OD1-CB 3.28Å; N60-A62 WeakPolarHBondContact OD1-CB 3.17Å; N60-A62 PolarHBondContact OD1-N 3.33Å; N60-K63 HydrophobicContact CB-CB 4.09Å; N60-K63 HydrophobicContact CB-CD 4.2Å; N60-K63 HydrophobicContact CB-CG 4.12Å; N60-K63 PolarHBondContact O-N 3.28Å; N60-K63 PolarHBondContact OD1-N 2.88Å
61	P	50	Low	58.4	Low	40 Å²	40	89 Å²	89	26%	0.26	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-54.1	-23.5	177.6	-25.2	33.2	0	0	0	113.1	F59 E117	F59-P61 HydrophobicContact CE1-CG 4.44Å; P61-E117 HydrophobicContact CG-CB 4.13Å; P61-E117 HydrophobicContact CG-CG 4.28Å
62	A	49.6	Very low	58.5	Low	85 Å²	85	89 Å²	89	70%	0.702	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-82.2	-13	177.9	0	0	0	0	0	114.2	N60	N60-A62 PolarHBondContact O-N 3.02Å; N60-A62 WeakPolarHBondContact OD1-CA 3.37Å; N60-A62 VanDerWaalsContact OD1-CB 3.28Å; N60-A62 WeakPolarHBondContact OD1-CB 3.17Å; N60-A62 PolarHBondContact OD1-N 3.33Å
63	K	49.1	Very low	59.1	Low	165 Å²	165	90.2 Å²	90.2	72%	0.717	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-95.3	2.3	176.4	-72.5	-174.1	178.2	-172.8	0	114.1	N60 A65	N60-K63 HydrophobicContact CB-CB 4.09Å; N60-K63 HydrophobicContact CB-CD 4.2Å; N60-K63 HydrophobicContact CB-CG 4.12Å; N60-K63 PolarHBondContact O-N 3.28Å; N60-K63 PolarHBondContact OD1-N 2.88Å; K63-A65 PolarHBondContact O-N 2.9Å
64	L	50.3	Low	60.6	Low	29 Å²	29	91.1 Å²	91.1	15%	0.152	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	8.6	176.7	-82.5	158.6	0	0	0	114.9	W57 K110 L113	W57-L64 HydrophobicContact CD2-CD2 4.4Å; W57-L64 HydrophobicContact CE3-CD2 3.67Å; W57-L64 HydrophobicContact CE3-CG 4.34Å; W57-L64 HydrophobicContact CH2-CD2 3.23Å; W57-L64 HydrophobicContact CZ2-CD2 4.01Å; W57-L64 HydrophobicContact CZ3-CD2 3.05Å; W57-L64 HydrophobicContact CZ3-CG 3.98Å; L64-K110 HydrophobicContact CD1-CG 4.3Å; L64-K110 HydrophobicContact CD2-CG 4.47Å; L64-L113 HydrophobicContact CD1-CD1 4.28Å
65	A	47.7	Very low	62.2	Low	88 Å²	88	92 Å²	92	73%	0.727	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	2.2	-166.3	0	0	0	0	0	115.3	K63 P67	K63-A65 PolarHBondContact O-N 2.9Å; A65-P67 VanDerWaalsContact O-CD 3.32Å; A65-P67 WeakPolarHBondContact O-CD 3.36Å
66	N	54.5	Low	64.1	Low	65 Å²	65	84.7 Å²	84.7	35%	0.348	44%	0.439	S	S	.	.			trans	-98.3	105.9	169.9	-166.9	-5.1	0	0	0	110.1	E68 L69	N66-E68 PolarHBondContact O-N 3.49Å; N66-E68 VanDerWaalsContact O-N 3.08Å; N66-E68 WeakPolarHBondContact OD1-CB 3.48Å; N66-E68 WeakPolarHBondContact OD1-CG 3.48Å; N66-E68 PolarHBondContact OD1-N 3.13Å; N66-E68 VanDerWaalsContact OD1-N 3.12Å; N66-L69 HydrophobicContact CB-CD1 4.11Å; N66-L69 HydrophobicContact CB-CG 4.25Å; N66-L69 PolarHBondContact O-N 3.02Å
67	P	51.4	Low	66	Low	84 Å²	84	82.1 Å²	82.1	55%	0.545	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.6	176.6	-21.4	32	0	0	0	113.1	A65 L69 D70 L73	A65-P67 VanDerWaalsContact O-CD 3.32Å; A65-P67 WeakPolarHBondContact O-CD 3.36Å; P67-L69 PolarHBondContact O-N 3.19Å; P67-D70 PolarHBondContact O-N 3.34Å; P67-L73 HydrophobicContact CB-CD1 4.37Å
68	E	55.4	Low	68.1	Low	158 Å²	158	81.3 Å²	81.3	74%	0.738	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-68.6	-23.1	179.2	-61	-178.4	154	0	0	113.5	N66	N66-E68 PolarHBondContact O-N 3.49Å; N66-E68 VanDerWaalsContact O-N 3.08Å; N66-E68 WeakPolarHBondContact OD1-CB 3.48Å; N66-E68 WeakPolarHBondContact OD1-CG 3.48Å; N66-E68 PolarHBondContact OD1-N 3.13Å; N66-E68 VanDerWaalsContact OD1-N 3.12Å
69	L	67.3	Low	70.5	Confident	131 Å²	131	76.5 Å²	76.5	69%	0.686	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-95.5	-8.6	177.8	-64	174.9	0	0	0	112.3	N66 P67 E71	N66-L69 HydrophobicContact CB-CD1 4.11Å; N66-L69 HydrophobicContact CB-CG 4.25Å; N66-L69 PolarHBondContact O-N 3.02Å; P67-L69 PolarHBondContact O-N 3.19Å; L69-E71 PolarHBondContact O-N 3.27Å
70	D	76.7	Confident	72.7	Confident	5 Å²	5	76.9 Å²	76.9	3%	0.027	41%	0.405	C	S	.	.			trans	-85.4	104.2	-177.8	-167.3	-44	0	0	0	110.4	P67 A72 L73 K74 K110	P67-D70 PolarHBondContact O-N 3.34Å; D70-A72 VanDerWaalsContact C-N 3.26Å; D70-A72 PolarHBondContact O-N 3.19Å; D70-A72 WeakPolarHBondContact OD1-CB 3.36Å; D70-A72 PolarHBondContact OD1-N 3.04Å; D70-L73 HydrophobicContact CB-CB 4.02Å; D70-L73 HydrophobicContact CB-CD1 3.97Å; D70-L73 HydrophobicContact CB-CG 4.05Å; D70-L73 PolarHBondContact O-N 3Å; D70-L73 PolarHBondContact OD1-N 3.32Å; D70-K74 VanDerWaalsContact O-CB 3.29Å; D70-K74 WeakPolarHBondContact O-CB 3.29Å; D70-K74 PolarHBondContact O-N 3.5Å; D70-K110 WeakPolarHBondContact OD2-CE 3.33Å; D70-K110 IonicContact OD2-NZ 3.14Å; D70-K110 PolarHBondContact OD2-NZ 2.71Å
71	E	82.2	Confident	74.6	Confident	138 Å²	138	78.9 Å²	78.9	65%	0.645	41%	0.412	S	S	*	.	H	α-helix	trans	-60.1	-35.4	-178.4	-62.8	-177.6	168.5	0	0	112.6	L69 Y75	L69-E71 PolarHBondContact O-N 3.27Å; E71-Y75 WeakPolarHBondContact O-CB 3.47Å; E71-Y75 PolarHBondContact O-N 3.23Å
72	A	87	Confident	76.8	Confident	17 Å²	17	82 Å²	82	14%	0.14	43%	0.425	C	S	.	.	H	α-helix	trans	-72.5	-45.1	-178.5	0	0	0	0	0	110.8	D70 K74 Y75 A76 E102 D106	D70-A72 VanDerWaalsContact C-N 3.26Å; D70-A72 PolarHBondContact O-N 3.19Å; D70-A72 WeakPolarHBondContact OD1-CB 3.36Å; D70-A72 PolarHBondContact OD1-N 3.04Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 2.86Å; A72-Y75 PolarHBondContact O-N 3.26Å; A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 3.37Å; A72-E102 HydrophobicContact CB-CG 4.35Å; A72-D106 HydrophobicContact CB-CB 3.94Å
73	L	87.1	Confident	79.1	Confident	43 Å²	43	77.9 Å²	77.9	23%	0.225	39%	0.392	C	S	.	.	H	α-helix	trans	-64.1	-39.9	174.5	-64.9	-178.3	0	0	0	111.7	P67 D70 A76 Q77 E103	P67-L73 HydrophobicContact CB-CD1 4.37Å; D70-L73 HydrophobicContact CB-CB 4.02Å; D70-L73 HydrophobicContact CB-CD1 3.97Å; D70-L73 HydrophobicContact CB-CG 4.05Å; D70-L73 PolarHBondContact O-N 3Å; D70-L73 PolarHBondContact OD1-N 3.32Å; L73-A76 PolarHBondContact O-N 2.92Å; L73-Q77 WeakPolarHBondContact O-CB 3.42Å; L73-Q77 PolarHBondContact O-N 3Å; L73-E103 HydrophobicContact CD2-CG 3.9Å
74	K	89	Confident	81.4	Confident	120 Å²	120	74.1 Å²	74.1	52%	0.522	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.5	-173.3	175.4	-177.8	175.9	0	111.8	D70 A72 Q77 N78	D70-K74 VanDerWaalsContact O-CB 3.29Å; D70-K74 WeakPolarHBondContact O-CB 3.29Å; D70-K74 PolarHBondContact O-N 3.5Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 2.86Å; K74-Q77 PolarHBondContact O-N 2.99Å; K74-N78 WeakPolarHBondContact O-CB 3.31Å; K74-N78 VanDerWaalsContact O-CG 3.25Å; K74-N78 PolarHBondContact O-N 3.45Å; K74-N78 PolarHBondContact O-ND2 3.42Å
75	Y	93	Very high	83.6	Confident	118 Å²	118	76.6 Å²	76.6	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-51.3	172.7	170.2	-91.5	0	0	0	111.1	E71 A72 Q77 N78 V79 E102	E71-Y75 WeakPolarHBondContact O-CB 3.47Å; E71-Y75 PolarHBondContact O-N 3.23Å; A72-Y75 PolarHBondContact O-N 3.26Å; Y75-Q77 VanDerWaalsContact C-N 3.29Å; Y75-Q77 PolarHBondContact O-N 3.09Å; Y75-N78 PolarHBondContact O-N 3.31Å; Y75-N78 VanDerWaalsContact O-N 3.13Å; Y75-V79 HydrophobicContact CD1-CG2 4.11Å; Y75-V79 HydrophobicContact CD2-CG2 4.24Å; Y75-V79 HydrophobicContact CE1-CG2 3.69Å; Y75-V79 HydrophobicContact CE2-CG2 3.81Å; Y75-V79 HydrophobicContact CG-CG2 4.39Å; Y75-V79 WeakPolarHBondContact O-CG2 3.29Å; Y75-V79 PolarHBondContact O-N 3.01Å; Y75-E102 HydrophobicContact CD1-CB 4.31Å; Y75-E102 HydrophobicContact CD1-CG 3.86Å; Y75-E102 HydrophobicContact CE1-CB 4.41Å; Y75-E102 HydrophobicContact CE1-CG 4.3Å
76	A	94.4	Very high	86	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-57.6	-42.7	179.7	0	0	0	0	0	111.8	A72 L73 V79 R80 A99 E102 E103	A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 3.37Å; L73-A76 PolarHBondContact O-N 2.92Å; A76-V79 PolarHBondContact O-N 3.37Å; A76-R80 PolarHBondContact O-N 3.28Å; A76-A99 HydrophobicContact CB-CB 4.17Å; A76-A99 VanDerWaalsContact O-CB 3.27Å; A76-A99 WeakPolarHBondContact O-CB 3.19Å; A76-E102 HydrophobicContact CB-CB 4.34Å; A76-E103 HydrophobicContact CB-CG 3.83Å
77	Q	94.9	Very high	87.9	Confident	108 Å²	108	83.4 Å²	83.4	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-45.6	176.2	-170.7	178.3	7.4	0	0	112.2	L73 K74 Y75 V79 R80 Q81	L73-Q77 WeakPolarHBondContact O-CB 3.42Å; L73-Q77 PolarHBondContact O-N 3Å; K74-Q77 PolarHBondContact O-N 2.99Å; Y75-Q77 VanDerWaalsContact C-N 3.29Å; Y75-Q77 PolarHBondContact O-N 3.09Å; Q77-V79 PolarHBondContact O-N 3.32Å; Q77-R80 PolarHBondContact O-N 2.89Å; Q77-Q81 WeakPolarHBondContact O-CG 3.3Å; Q77-Q81 PolarHBondContact O-N 2.67Å
78	N	96.1	Very high	90.1	Very high	79 Å²	79	83.3 Å²	83.3	42%	0.422	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-38.1	177.8	-70.9	-27.4	0	0	0	112.2	K74 Y75 R80 Q81 L82	K74-N78 WeakPolarHBondContact O-CB 3.31Å; K74-N78 VanDerWaalsContact O-CG 3.25Å; K74-N78 PolarHBondContact O-N 3.45Å; K74-N78 PolarHBondContact O-ND2 3.42Å; Y75-N78 PolarHBondContact O-N 3.31Å; Y75-N78 VanDerWaalsContact O-N 3.13Å; N78-R80 VanDerWaalsContact C-N 3.35Å; N78-Q81 PolarHBondContact O-N 3.27Å; N78-L82 WeakPolarHBondContact O-CB 3.42Å; N78-L82 PolarHBondContact O-N 3.48Å
79	V	97.2	Very high	92	Very high	14 Å²	14	78.6 Å²	78.6	9%	0.085	40%	0.395	C	S	.	.	H	α-helix	trans	-63.9	-39.9	175.2	172.3	0	0	0	0	111.2	Y75 A76 Q77 L82 G83 L95 I98 A99	Y75-V79 HydrophobicContact CD1-CG2 4.11Å; Y75-V79 HydrophobicContact CD2-CG2 4.24Å; Y75-V79 HydrophobicContact CE1-CG2 3.69Å; Y75-V79 HydrophobicContact CE2-CG2 3.81Å; Y75-V79 HydrophobicContact CG-CG2 4.39Å; Y75-V79 WeakPolarHBondContact O-CG2 3.29Å; Y75-V79 PolarHBondContact O-N 3.01Å; A76-V79 PolarHBondContact O-N 3.37Å; Q77-V79 PolarHBondContact O-N 3.32Å; V79-L82 PolarHBondContact O-N 3.14Å; V79-G83 PolarHBondContact O-N 3.43Å; V79-L95 HydrophobicContact CG1-CB 4.21Å; V79-L95 HydrophobicContact CG1-CD2 4.19Å; V79-L95 VanDerWaalsContact CG1-O 3.23Å; V79-L95 WeakPolarHBondContact CG1-O 3.46Å; V79-I98 HydrophobicContact CG1-CB 4.33Å; V79-I98 HydrophobicContact CG1-CG2 4.19Å; V79-A99 HydrophobicContact CB-CB 4.26Å; V79-A99 HydrophobicContact CG1-CB 4.16Å
80	R	96.9	Very high	93.3	Very high	62 Å²	62	78 Å²	78	23%	0.234	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-46.5	173.4	-74.3	-172.5	-168.1	110.5	1.1	112.6	A76 Q77 N78 L82 G83 D84 H96 A99 E103	A76-R80 PolarHBondContact O-N 3.28Å; Q77-R80 PolarHBondContact O-N 2.89Å; N78-R80 VanDerWaalsContact C-N 3.35Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 2.89Å; R80-G83 CarbonylContact O-C 3.52Å; R80-G83 WeakPolarHBondContact O-CA 3.33Å; R80-G83 PolarHBondContact O-N 3.13Å; R80-D84 PolarHBondContact O-N 2.95Å; R80-H96 PolarHBondContact O-NE2 3.43Å; R80-A99 HydrophobicContact CG-CB 3.53Å; R80-E103 IonicContact CZ-OE1 3.76Å; R80-E103 IonicContact CZ-OE2 2.9Å; R80-E103 IonicContact NH1-OE1 2.72Å; R80-E103 PolarHBondContact NH1-OE1 2.88Å; R80-E103 IonicContact NH2-OE1 2.69Å; R80-E103 PolarHBondContact NH2-OE1 2.65Å; R80-E103 IonicContact NH2-OE2 2.85Å; R80-E103 PolarHBondContact NH2-OE2 2.98Å
81	Q	97	Very high	94.3	Very high	108 Å²	108	80.8 Å²	80.8	51%	0.505	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-41	178.1	-71.8	177.4	2.6	0	0	111.3	Q77 N78 G83 D84 A85	Q77-Q81 WeakPolarHBondContact O-CG 3.3Å; Q77-Q81 PolarHBondContact O-N 2.67Å; N78-Q81 PolarHBondContact O-N 3.27Å; Q81-G83 VanDerWaalsContact C-N 3.34Å; Q81-D84 PolarHBondContact O-N 3.05Å; Q81-A85 PolarHBondContact O-N 2.93Å; Q81-A85 VanDerWaalsContact O-N 3.14Å
82	L	97	Very high	95	Very high	104 Å²	104	77.8 Å²	77.8	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-42.5	172.9	-178.8	62.3	0	0	0	111.7	N78 V79 R80 D84 A85 C86 L95	N78-L82 WeakPolarHBondContact O-CB 3.42Å; N78-L82 PolarHBondContact O-N 3.48Å; V79-L82 PolarHBondContact O-N 3.14Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 2.89Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 3.26Å; L82-A85 PolarHBondContact O-N 2.9Å; L82-C86 PolarHBondContact O-N 3.06Å; L82-C86 PolarHBondContact O-SG 3.12Å; L82-L95 HydrophobicContact CG-CD1 4.21Å
83	G	97.1	Very high	95.4	Very high	0 Å²	0	83.4 Å²	83.4	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-59.5	-40.9	173.9	0	0	0	0	0	112.9	V79 R80 Q81 A85 C86 K92	V79-G83 PolarHBondContact O-N 3.43Å; R80-G83 CarbonylContact O-C 3.52Å; R80-G83 WeakPolarHBondContact O-CA 3.33Å; R80-G83 PolarHBondContact O-N 3.13Å; Q81-G83 VanDerWaalsContact C-N 3.34Å; G83-A85 VanDerWaalsContact C-N 3.27Å; G83-A85 PolarHBondContact O-N 3.35Å; G83-C86 WeakPolarHBondContact O-CB 3.36Å; G83-C86 PolarHBondContact O-N 3.41Å; G83-C86 VanDerWaalsContact O-N 3.11Å; G83-K92 WeakPolarHBondContact O-CB 3.46Å; G83-K92 VanDerWaalsContact O-CG 3.31Å; G83-K92 WeakPolarHBondContact O-CG 3.43Å
84	D	97.4	Very high	95.8	Very high	86 Å²	86	85.9 Å²	85.9	46%	0.46	43%	0.426	S	S	.	.	H	α-helix	trans	-67.8	-26.4	177.5	-71	-35.5	0	0	0	113.3	R80 Q81 L82 C86 K92 H96	R80-D84 PolarHBondContact O-N 2.95Å; Q81-D84 PolarHBondContact O-N 3.05Å; L82-D84 VanDerWaalsContact C-N 3.32Å; L82-D84 PolarHBondContact O-N 3.26Å; D84-C86 VanDerWaalsContact C-N 3.31Å; D84-K92 WeakPolarHBondContact OD1-CE 3.34Å; D84-K92 IonicContact OD1-NZ 2.77Å; D84-K92 PolarHBondContact OD1-NZ 3.05Å; D84-H96 IonicContact OD1-CE1 3.35Å; D84-H96 PolarHBondContact OD1-CE1 2.98Å; D84-H96 IonicContact OD1-NE2 3.04Å; D84-H96 PolarHBondContact OD1-NE2 3.25Å; D84-H96 IonicContact OD2-NE2 3.89Å
85	A	97	Very high	96.2	Very high	81 Å²	81	81.5 Å²	81.5	67%	0.669	41%	0.409	S	S	*	.	H	α-helix	trans	-78.3	-12.9	173.2	0	0	0	0	0	113.5	Q81 L82 G83	Q81-A85 PolarHBondContact O-N 2.93Å; Q81-A85 VanDerWaalsContact O-N 3.14Å; L82-A85 PolarHBondContact O-N 2.9Å; G83-A85 VanDerWaalsContact C-N 3.27Å; G83-A85 PolarHBondContact O-N 3.35Å
86	C	96.4	Very high	96.4	Very high	38 Å²	38	78.5 Å²	78.5	26%	0.257	40%	0.399	S	S	.	.			trans	-76.4	134.4	-179	-68.8	0	0	0	0	112	L82 G83 D84 V91 K92	L82-C86 PolarHBondContact O-N 3.06Å; L82-C86 PolarHBondContact O-SG 3.12Å; G83-C86 WeakPolarHBondContact O-CB 3.36Å; G83-C86 PolarHBondContact O-N 3.41Å; G83-C86 VanDerWaalsContact O-N 3.11Å; D84-C86 VanDerWaalsContact C-N 3.31Å; C86-V91 HydrophobicContact CB-CG1 4.31Å; C86-K92 HydrophobicContact CB-CB 4.39Å
87	R	95.8	Very high	96.6	Very high	257 Å²	257	81.2 Å²	81.2	97%	0.97	41%	0.413	S	S	*	.	S	Bend	trans	-78.9	-29.8	173.5	-66.3	-175.8	-177.5	-179.6	0.6	113.3
88	N	96.7	Very high	96.7	Very high	83 Å²	83	77.7 Å²	77.7	44%	0.444	40%	0.397	S	S	.	.			trans	-79	121.3	178.4	-179.6	-41.9	0	0	0	109.3	D90 V91 K92	N88-D90 WeakPolarHBondContact OD1-CB 3.35Å; N88-D90 PolarHBondContact OD1-N 3.37Å; N88-V91 HydrophobicContact CB-CB 4.05Å; N88-V91 HydrophobicContact CB-CG2 3.87Å; N88-V91 PolarHBondContact O-N 3.41Å; N88-V91 PolarHBondContact OD1-N 3.02Å; N88-V91 VanDerWaalsContact OD1-N 3.13Å; N88-K92 PolarHBondContact O-N 3.35Å
89	A	95.8	Very high	96.7	Very high	59 Å²	59	74 Å²	74	49%	0.488	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-39.4	-177.2	0	0	0	0	0	112.9	K92 Q93	A89-K92 PolarHBondContact O-N 3.28Å; A89-Q93 WeakPolarHBondContact O-CG 3.46Å; A89-Q93 PolarHBondContact O-N 3.16Å
90	D	95.5	Very high	96.7	Very high	117 Å²	117	75.6 Å²	75.6	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-65.8	-42.9	178.6	-56.5	-34	0	0	0	110.5	N88 Q93 F94	N88-D90 WeakPolarHBondContact OD1-CB 3.35Å; N88-D90 PolarHBondContact OD1-N 3.37Å; D90-Q93 PolarHBondContact O-N 2.91Å; D90-F94 WeakPolarHBondContact O-CB 3.47Å; D90-F94 PolarHBondContact O-N 3.07Å
91	V	95.9	Very high	96.7	Very high	65 Å²	65	72.8 Å²	72.8	39%	0.394	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-43	176	177.4	0	0	0	0	110.9	C86 N88 F94 L95	C86-V91 HydrophobicContact CB-CG1 4.31Å; N88-V91 HydrophobicContact CB-CB 4.05Å; N88-V91 HydrophobicContact CB-CG2 3.87Å; N88-V91 PolarHBondContact O-N 3.41Å; N88-V91 PolarHBondContact OD1-N 3.02Å; N88-V91 VanDerWaalsContact OD1-N 3.13Å; V91-F94 PolarHBondContact O-N 3.34Å; V91-L95 HydrophobicContact CG1-CD1 4Å; V91-L95 HydrophobicContact CG1-CG 4.44Å; V91-L95 WeakPolarHBondContact O-CG 3.29Å; V91-L95 PolarHBondContact O-N 3.01Å
92	K	97.1	Very high	96.5	Very high	75 Å²	75	70.4 Å²	70.4	33%	0.326	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-50.2	175.1	171.5	168.5	-179.4	157.9	0	111.2	G83 D84 C86 N88 A89 F94 L95 H96	G83-K92 WeakPolarHBondContact O-CB 3.46Å; G83-K92 VanDerWaalsContact O-CG 3.31Å; G83-K92 WeakPolarHBondContact O-CG 3.43Å; D84-K92 WeakPolarHBondContact OD1-CE 3.34Å; D84-K92 IonicContact OD1-NZ 2.77Å; D84-K92 PolarHBondContact OD1-NZ 3.05Å; C86-K92 HydrophobicContact CB-CB 4.39Å; N88-K92 PolarHBondContact O-N 3.35Å; A89-K92 PolarHBondContact O-N 3.28Å; K92-F94 VanDerWaalsContact C-N 3.33Å; K92-F94 PolarHBondContact O-N 3.33Å; K92-L95 PolarHBondContact O-N 2.86Å; K92-H96 PolarHBondContact O-CD2 3Å; K92-H96 PolarHBondContact O-N 3.13Å
93	Q	96	Very high	96.3	Very high	134 Å²	134	68.1 Å²	68.1	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-41.6	179.6	-73.6	-179.9	19.5	0	0	111.8	A89 D90 H96 L97	A89-Q93 WeakPolarHBondContact O-CG 3.46Å; A89-Q93 PolarHBondContact O-N 3.16Å; D90-Q93 PolarHBondContact O-N 2.91Å; Q93-H96 PolarHBondContact O-N 3.33Å; Q93-L97 WeakPolarHBondContact O-CB 3.34Å; Q93-L97 PolarHBondContact O-N 2.92Å
94	F	96.2	Very high	96.2	Very high	95 Å²	95	72 Å²	72	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-42.6	178.1	-174.2	-108.8	0	0	0	112.6	D90 V91 K92 L97 I98 I224	D90-F94 WeakPolarHBondContact O-CB 3.47Å; D90-F94 PolarHBondContact O-N 3.07Å; V91-F94 PolarHBondContact O-N 3.34Å; K92-F94 VanDerWaalsContact C-N 3.33Å; K92-F94 PolarHBondContact O-N 3.33Å; F94-L97 WeakPolarHBondContact O-CB 3.45Å; F94-L97 PolarHBondContact O-N 3.02Å; F94-I98 HydrophobicContact CD1-CD1 3.81Å; F94-I98 HydrophobicContact CE1-CD1 3.46Å; F94-I98 VanDerWaalsContact CE1-CD1 3.46Å; F94-I98 HydrophobicContact CE1-CG1 4.27Å; F94-I98 HydrophobicContact CZ-CD1 4.02Å; F94-I98 HydrophobicContact CZ-CG1 4.42Å; F94-I98 WeakPolarHBondContact O-CG1 3.41Å; F94-I98 PolarHBondContact O-N 3.42Å; F94-I224 HydrophobicContact CE2-CG2 3.66Å; F94-I224 HydrophobicContact CZ-CG2 3.67Å
95	L	97.6	Very high	96	Very high	29 Å²	29	68.7 Å²	68.7	15%	0.152	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-41	175.4	-71.3	172	0	0	0	111.8	V79 L82 V91 K92 L97 I98 A99	V79-L95 HydrophobicContact CG1-CB 4.21Å; V79-L95 HydrophobicContact CG1-CD2 4.19Å; V79-L95 VanDerWaalsContact CG1-O 3.23Å; V79-L95 WeakPolarHBondContact CG1-O 3.46Å; L82-L95 HydrophobicContact CG-CD1 4.21Å; V91-L95 HydrophobicContact CG1-CD1 4Å; V91-L95 HydrophobicContact CG1-CG 4.44Å; V91-L95 WeakPolarHBondContact O-CG 3.29Å; V91-L95 PolarHBondContact O-N 3.01Å; K92-L95 PolarHBondContact O-N 2.86Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.4Å; L95-I98 HydrophobicContact CD2-CD1 4.41Å; L95-I98 PolarHBondContact O-N 2.81Å; L95-A99 PolarHBondContact O-N 2.9Å
96	H	97.3	Very high	95.7	Very high	55 Å²	55	65.5 Å²	65.5	26%	0.255	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-39.8	173.4	-82.7	-124.5	0	0	0	111.8	R80 D84 K92 Q93 A99 S100	R80-H96 PolarHBondContact O-NE2 3.43Å; D84-H96 IonicContact OD1-CE1 3.35Å; D84-H96 PolarHBondContact OD1-CE1 2.98Å; D84-H96 IonicContact OD1-NE2 3.04Å; D84-H96 PolarHBondContact OD1-NE2 3.25Å; D84-H96 IonicContact OD2-NE2 3.89Å; K92-H96 PolarHBondContact O-CD2 3Å; K92-H96 PolarHBondContact O-N 3.13Å; Q93-H96 PolarHBondContact O-N 3.33Å; H96-A99 PolarHBondContact O-N 3.43Å; H96-S100 PolarHBondContact O-N 3.01Å; H96-S100 PolarHBondContact O-OG 3.4Å
97	L	96.9	Very high	95.4	Very high	56 Å²	56	68.1 Å²	68.1	29%	0.293	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174.8	178.4	62.6	0	0	0	112.1	Q93 F94 L95 A99 S100 V101 K223	Q93-L97 WeakPolarHBondContact O-CB 3.34Å; Q93-L97 PolarHBondContact O-N 2.92Å; F94-L97 WeakPolarHBondContact O-CB 3.45Å; F94-L97 PolarHBondContact O-N 3.02Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.4Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 3.15Å; L97-S100 PolarHBondContact O-N 2.88Å; L97-V101 HydrophobicContact CD1-CG2 4.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.3Å; L97-V101 PolarHBondContact O-N 3.47Å; L97-K223 HydrophobicContact CD1-CB 4.38Å
98	I	96.9	Very high	95.2	Very high	35 Å²	35	56.5 Å²	56.5	18%	0.179	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-47.9	175.1	-71.2	167.5	0	0	0	110.4	V79 F94 L95 S100 V101 E102 I224	V79-I98 HydrophobicContact CG1-CB 4.33Å; V79-I98 HydrophobicContact CG1-CG2 4.19Å; F94-I98 HydrophobicContact CD1-CD1 3.81Å; F94-I98 HydrophobicContact CE1-CD1 3.46Å; F94-I98 VanDerWaalsContact CE1-CD1 3.46Å; F94-I98 HydrophobicContact CE1-CG1 4.27Å; F94-I98 HydrophobicContact CZ-CD1 4.02Å; F94-I98 HydrophobicContact CZ-CG1 4.42Å; F94-I98 WeakPolarHBondContact O-CG1 3.41Å; F94-I98 PolarHBondContact O-N 3.42Å; L95-I98 HydrophobicContact CD2-CD1 4.41Å; L95-I98 PolarHBondContact O-N 2.81Å; I98-S100 PolarHBondContact O-N 3.02Å; I98-V101 PolarHBondContact O-N 2.89Å; I98-E102 PolarHBondContact O-N 2.92Å; I98-I224 HydrophobicContact CG1-CD1 4.23Å; I98-I224 HydrophobicContact CG1-CG2 4.46Å
99	A	96.6	Very high	94.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-44	179.3	0	0	0	0	0	112.4	A76 V79 R80 L95 H96 L97 V101 E102 E103	A76-A99 HydrophobicContact CB-CB 4.17Å; A76-A99 VanDerWaalsContact O-CB 3.27Å; A76-A99 WeakPolarHBondContact O-CB 3.19Å; V79-A99 HydrophobicContact CB-CB 4.26Å; V79-A99 HydrophobicContact CG1-CB 4.16Å; R80-A99 HydrophobicContact CG-CB 3.53Å; L95-A99 PolarHBondContact O-N 2.9Å; H96-A99 PolarHBondContact O-N 3.43Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 3.15Å; A99-V101 VanDerWaalsContact C-N 3.34Å; A99-V101 PolarHBondContact O-N 3.16Å; A99-E102 PolarHBondContact O-N 3.26Å; A99-E103 PolarHBondContact O-N 3.14Å; A99-E103 VanDerWaalsContact O-N 3.16Å
100	S	96.8	Very high	94.5	Very high	48 Å²	48	56.2 Å²	56.2	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-37.8	175.9	-72.9	0	0	0	0	112.9	H96 L97 I98 E103 E104	H96-S100 PolarHBondContact O-N 3.01Å; H96-S100 PolarHBondContact O-OG 3.4Å; L97-S100 PolarHBondContact O-N 2.88Å; I98-S100 PolarHBondContact O-N 3.02Å; S100-E103 PolarHBondContact O-N 3.32Å; S100-E104 WeakPolarHBondContact O-CG 3.45Å; S100-E104 PolarHBondContact O-N 3.34Å; S100-E104 VanDerWaalsContact O-N 3.12Å
101	V	96.8	Very high	94.3	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-38.5	177	167.1	0	0	0	0	111.6	L97 I98 A99 E103 E104 I105 A220 L221 K223 I224	L97-V101 HydrophobicContact CD1-CG2 4.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.3Å; L97-V101 PolarHBondContact O-N 3.47Å; I98-V101 PolarHBondContact O-N 2.89Å; A99-V101 VanDerWaalsContact C-N 3.34Å; A99-V101 PolarHBondContact O-N 3.16Å; V101-E103 VanDerWaalsContact C-N 3.35Å; V101-E104 PolarHBondContact O-N 3.09Å; V101-I105 HydrophobicContact CG1-CD1 3.98Å; V101-I105 WeakPolarHBondContact O-CG1 3.38Å; V101-I105 PolarHBondContact O-N 2.91Å; V101-A220 HydrophobicContact CG1-CB 4.03Å; V101-L221 HydrophobicContact CG1-CD2 4.29Å; V101-K223 HydrophobicContact CG2-CB 4.05Å; V101-K223 HydrophobicContact CG2-CD 4.27Å; V101-I224 HydrophobicContact CB-CD1 3.9Å; V101-I224 HydrophobicContact CB-CG1 4.18Å; V101-I224 HydrophobicContact CG1-CD1 3.67Å; V101-I224 HydrophobicContact CG1-CG1 4.17Å; V101-I224 HydrophobicContact CG2-CD1 4.14Å; V101-I224 HydrophobicContact CG2-CG1 3.83Å
102	E	94.4	Very high	94.1	Very high	58 Å²	58	51.9 Å²	51.9	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-43.9	174.7	-174.3	67.8	-170.6	0	0	111.6	A72 Y75 A76 I98 A99 E104 I105 D106	A72-E102 HydrophobicContact CB-CG 4.35Å; Y75-E102 HydrophobicContact CD1-CB 4.31Å; Y75-E102 HydrophobicContact CD1-CG 3.86Å; Y75-E102 HydrophobicContact CE1-CB 4.41Å; Y75-E102 HydrophobicContact CE1-CG 4.3Å; A76-E102 HydrophobicContact CB-CB 4.34Å; I98-E102 PolarHBondContact O-N 2.92Å; A99-E102 PolarHBondContact O-N 3.26Å; E102-E104 VanDerWaalsContact C-N 3.32Å; E102-E104 PolarHBondContact O-N 3.48Å; E102-I105 WeakPolarHBondContact O-CB 3.45Å; E102-I105 PolarHBondContact O-N 3.33Å; E102-I105 VanDerWaalsContact O-N 3.13Å; E102-D106 PolarHBondContact O-N 3.46Å
103	E	93	Very high	93.8	Very high	57 Å²	57	49.1 Å²	49.1	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-38.6	177	-71	-179.7	169.9	0	0	112.7	L73 A76 R80 A99 S100 V101 I105 D106 V107	L73-E103 HydrophobicContact CD2-CG 3.9Å; A76-E103 HydrophobicContact CB-CG 3.83Å; R80-E103 IonicContact CZ-OE1 3.76Å; R80-E103 IonicContact CZ-OE2 2.9Å; R80-E103 IonicContact NH1-OE1 2.72Å; R80-E103 PolarHBondContact NH1-OE1 2.88Å; R80-E103 IonicContact NH2-OE1 2.69Å; R80-E103 PolarHBondContact NH2-OE1 2.65Å; R80-E103 IonicContact NH2-OE2 2.85Å; R80-E103 PolarHBondContact NH2-OE2 2.98Å; A99-E103 PolarHBondContact O-N 3.14Å; A99-E103 VanDerWaalsContact O-N 3.16Å; S100-E103 PolarHBondContact O-N 3.32Å; V101-E103 VanDerWaalsContact C-N 3.35Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 2.9Å; E103-D106 PolarHBondContact O-N 2.87Å; E103-V107 VanDerWaalsContact O-CG2 3.28Å; E103-V107 WeakPolarHBondContact O-CG2 3.45Å; E103-V107 PolarHBondContact O-N 3.26Å
104	E	94.7	Very high	93.5	Very high	81 Å²	81	51 Å²	51	38%	0.379	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-38	174.1	-73.4	-178.7	-157.2	0	0	112.3	S100 V101 E102 A108 A220 K223	S100-E104 WeakPolarHBondContact O-CG 3.45Å; S100-E104 PolarHBondContact O-N 3.34Å; S100-E104 VanDerWaalsContact O-N 3.12Å; V101-E104 PolarHBondContact O-N 3.09Å; E102-E104 VanDerWaalsContact C-N 3.32Å; E102-E104 PolarHBondContact O-N 3.48Å; E104-A108 PolarHBondContact O-N 3.38Å; E104-A108 VanDerWaalsContact O-N 3.07Å; E104-A220 HydrophobicContact CB-CB 4.28Å; E104-K223 IonicContact OE1-NZ 2.64Å; E104-K223 PolarHBondContact OE1-NZ 3.28Å; E104-K223 IonicContact OE2-NZ 2.66Å; E104-K223 PolarHBondContact OE2-NZ 3.37Å
105	I	93.3	Very high	93.3	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.087	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-46.1	175.8	-72	169.6	0	0	0	110.3	V101 E102 E103 V107 A108 F109 I217 A220 L221	V101-I105 HydrophobicContact CG1-CD1 3.98Å; V101-I105 WeakPolarHBondContact O-CG1 3.38Å; V101-I105 PolarHBondContact O-N 2.91Å; E102-I105 WeakPolarHBondContact O-CB 3.45Å; E102-I105 PolarHBondContact O-N 3.33Å; E102-I105 VanDerWaalsContact O-N 3.13Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 2.9Å; I105-V107 PolarHBondContact O-N 3.14Å; I105-A108 WeakPolarHBondContact O-CB 3.45Å; I105-A108 PolarHBondContact O-N 3.07Å; I105-A108 VanDerWaalsContact O-N 3.14Å; I105-F109 HydrophobicContact CG2-CD2 3.77Å; I105-F109 HydrophobicContact CG2-CE2 3.8Å; I105-F109 WeakPolarHBondContact O-CD2 3.4Å; I105-F109 PolarHBondContact O-N 3.05Å; I105-I217 HydrophobicContact CD1-CG2 4.31Å; I105-I217 HydrophobicContact CG1-CG1 4.35Å; I105-I217 HydrophobicContact CG1-CG2 4.37Å; I105-I217 HydrophobicContact CG2-CD1 4.49Å; I105-I217 HydrophobicContact CG2-CG1 4.17Å; I105-A220 HydrophobicContact CG1-CB 3.99Å; I105-L221 HydrophobicContact CD1-CD2 3.93Å; I105-L221 HydrophobicContact CD1-CG 4.17Å
106	D	89.8	Confident	93.1	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-46.3	176.9	172.4	61	0	0	0	111.8	A72 E102 E103 A108 F109 K110	A72-D106 HydrophobicContact CB-CB 3.94Å; E102-D106 PolarHBondContact O-N 3.46Å; E103-D106 PolarHBondContact O-N 2.87Å; D106-A108 VanDerWaalsContact C-N 3.28Å; D106-A108 PolarHBondContact O-N 2.98Å; D106-F109 WeakPolarHBondContact O-CB 3.27Å; D106-F109 PolarHBondContact O-N 3.1Å; D106-F109 VanDerWaalsContact O-N 3.13Å; D106-K110 WeakPolarHBondContact O-CG 3.39Å; D106-K110 PolarHBondContact O-N 2.64Å; D106-K110 WeakPolarHBondContact OD1-CE 3.37Å; D106-K110 IonicContact OD1-NZ 3.77Å; D106-K110 WeakPolarHBondContact OD2-CE 3.43Å; D106-K110 IonicContact OD2-NZ 3.24Å; D106-K110 PolarHBondContact OD2-NZ 3.27Å
107	V	89.9	Confident	92.7	Very high	94 Å²	94	46.8 Å²	46.8	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-58.6	-41.2	174.9	170	0	0	0	0	111.4	E103 I105 K110 L111	E103-V107 VanDerWaalsContact O-CG2 3.28Å; E103-V107 WeakPolarHBondContact O-CG2 3.45Å; E103-V107 PolarHBondContact O-N 3.26Å; I105-V107 PolarHBondContact O-N 3.14Å; V107-K110 PolarHBondContact O-N 3.47Å; V107-L111 WeakPolarHBondContact O-CB 3.38Å; V107-L111 PolarHBondContact O-N 2.87Å
108	A	92.2	Very high	92.6	Very high	13 Å²	13	46.5 Å²	46.5	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-40.9	176.7	0	0	0	0	0	112.1	E104 I105 D106 L111 F112 L213	E104-A108 PolarHBondContact O-N 3.38Å; E104-A108 VanDerWaalsContact O-N 3.07Å; I105-A108 WeakPolarHBondContact O-CB 3.45Å; I105-A108 PolarHBondContact O-N 3.07Å; I105-A108 VanDerWaalsContact O-N 3.14Å; D106-A108 VanDerWaalsContact C-N 3.28Å; D106-A108 PolarHBondContact O-N 2.98Å; A108-L111 PolarHBondContact O-N 2.73Å; A108-F112 WeakPolarHBondContact O-CB 3.4Å; A108-F112 PolarHBondContact O-N 3.37Å; A108-L213 HydrophobicContact CB-CD1 4.02Å
109	F	90.3	Very high	92.5	Very high	84 Å²	84	51 Å²	51	37%	0.368	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-48.8	173.9	-92	-74.5	0	0	0	111.7	I105 D106 L111 F112 L113 L213 I217	I105-F109 HydrophobicContact CG2-CD2 3.77Å; I105-F109 HydrophobicContact CG2-CE2 3.8Å; I105-F109 WeakPolarHBondContact O-CD2 3.4Å; I105-F109 PolarHBondContact O-N 3.05Å; D106-F109 WeakPolarHBondContact O-CB 3.27Å; D106-F109 PolarHBondContact O-N 3.1Å; D106-F109 VanDerWaalsContact O-N 3.13Å; F109-L111 VanDerWaalsContact C-N 3.28Å; F109-L111 PolarHBondContact O-N 3.25Å; F109-F112 WeakPolarHBondContact O-CB 3.21Å; F109-F112 PolarHBondContact O-N 3.02Å; F109-F112 VanDerWaalsContact O-N 3.09Å; F109-L113 WeakPolarHBondContact O-CG 3.47Å; F109-L113 PolarHBondContact O-N 3.34Å; F109-L213 HydrophobicContact CB-CD1 4.47Å; F109-L213 HydrophobicContact CD1-CD1 4.05Å; F109-L213 HydrophobicContact CD1-CD2 3.85Å; F109-L213 HydrophobicContact CD2-CD1 4.2Å; F109-L213 HydrophobicContact CE1-CD1 4.35Å; F109-L213 HydrophobicContact CE1-CD2 3.63Å; F109-L213 HydrophobicContact CE1-CG 4.5Å; F109-L213 HydrophobicContact CE2-CD1 4.48Å; F109-L213 HydrophobicContact CG-CD1 3.98Å; F109-L213 HydrophobicContact CZ-CD2 4.2Å; F109-I217 HydrophobicContact CD2-CD1 4.3Å; F109-I217 HydrophobicContact CE2-CD1 3.58Å; F109-I217 HydrophobicContact CZ-CD1 3.87Å
110	K	87.4	Confident	92.4	Very high	51 Å²	51	51 Å²	51	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-41.4	177.9	-71.1	174.4	174.4	160.4	0	112.3	L64 D70 D106 V107 L113 R114	L64-K110 HydrophobicContact CD1-CG 4.3Å; L64-K110 HydrophobicContact CD2-CG 4.47Å; D70-K110 WeakPolarHBondContact OD2-CE 3.33Å; D70-K110 IonicContact OD2-NZ 3.14Å; D70-K110 PolarHBondContact OD2-NZ 2.71Å; D106-K110 WeakPolarHBondContact O-CG 3.39Å; D106-K110 PolarHBondContact O-N 2.64Å; D106-K110 WeakPolarHBondContact OD1-CE 3.37Å; D106-K110 IonicContact OD1-NZ 3.77Å; D106-K110 WeakPolarHBondContact OD2-CE 3.43Å; D106-K110 IonicContact OD2-NZ 3.24Å; D106-K110 PolarHBondContact OD2-NZ 3.27Å; V107-K110 PolarHBondContact O-N 3.47Å; K110-L113 PolarHBondContact O-N 3.08Å; K110-R114 PolarHBondContact O-N 3.12Å; K110-R114 VanDerWaalsContact O-N 3.09Å
111	L	90.5	Very high	92.3	Very high	82 Å²	82	48.8 Å²	48.8	43%	0.429	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-44.5	175.3	-179.2	62.3	0	0	0	111.7	V107 A108 F109 R114 Q115	V107-L111 WeakPolarHBondContact O-CB 3.38Å; V107-L111 PolarHBondContact O-N 2.87Å; A108-L111 PolarHBondContact O-N 2.73Å; F109-L111 VanDerWaalsContact C-N 3.28Å; F109-L111 PolarHBondContact O-N 3.25Å; L111-R114 PolarHBondContact O-N 3.26Å; L111-Q115 HydrophobicContact CD1-CG 4.38Å; L111-Q115 WeakPolarHBondContact O-CG 3.33Å; L111-Q115 PolarHBondContact O-N 3.01Å
112	F	92.8	Very high	92.2	Very high	10 Å²	10	53.6 Å²	53.6	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-49	175.6	164.7	-110.4	0	0	0	111.9	V51 A108 F109 R114 Q115 V116 A209 D210 L213	V51-F112 HydrophobicContact CB-CE1 4.32Å; V51-F112 HydrophobicContact CG1-CD1 4.48Å; V51-F112 HydrophobicContact CG1-CE1 3.76Å; V51-F112 HydrophobicContact CG1-CZ 4.45Å; V51-F112 HydrophobicContact CG2-CE1 3.97Å; V51-F112 HydrophobicContact CG2-CZ 3.84Å; A108-F112 WeakPolarHBondContact O-CB 3.4Å; A108-F112 PolarHBondContact O-N 3.37Å; F109-F112 WeakPolarHBondContact O-CB 3.21Å; F109-F112 PolarHBondContact O-N 3.02Å; F109-F112 VanDerWaalsContact O-N 3.09Å; F112-R114 VanDerWaalsContact C-N 3.29Å; F112-R114 PolarHBondContact O-N 3.41Å; F112-Q115 PolarHBondContact O-N 3.17Å; F112-Q115 VanDerWaalsContact O-N 3.16Å; F112-V116 HydrophobicContact CD2-CG2 3.77Å; F112-V116 HydrophobicContact CE2-CG2 3.36Å; F112-V116 HydrophobicContact CG-CG2 4.5Å; F112-V116 HydrophobicContact CZ-CG2 3.83Å; F112-V116 WeakPolarHBondContact O-CG2 3.18Å; F112-V116 PolarHBondContact O-N 2.89Å; F112-A209 HydrophobicContact CD2-CB 3.76Å; F112-A209 HydrophobicContact CE2-CB 4.02Å; F112-D210 HydrophobicContact CE2-CB 4.04Å; F112-L213 HydrophobicContact CB-CB 4.12Å; F112-L213 HydrophobicContact CB-CD1 4.15Å; F112-L213 HydrophobicContact CB-CD2 4.16Å; F112-L213 HydrophobicContact CB-CG 4.37Å; F112-L213 HydrophobicContact CD1-CD2 3.65Å; F112-L213 HydrophobicContact CD2-CB 4.25Å; F112-L213 HydrophobicContact CD2-CD2 4.31Å; F112-L213 HydrophobicContact CE1-CD2 4Å; F112-L213 HydrophobicContact CG-CB 4.19Å; F112-L213 HydrophobicContact CG-CD2 3.79Å; F112-L213 HydrophobicContact CG-CG 4.43Å
113	L	89.8	Confident	92.3	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.084	25%	0.25	C	C	.	.	H	α-helix	trans	-56.6	-45.1	177.8	-65.4	179	0	0	0	111.4	V51 F59 L64 F109 K110 V116 E117	V51-L113 HydrophobicContact CG1-CD2 3.16Å; F59-L113 HydrophobicContact CE2-CD2 3.55Å; F59-L113 HydrophobicContact CZ-CB 4.38Å; F59-L113 HydrophobicContact CZ-CD2 3.68Å; L64-L113 HydrophobicContact CD1-CD1 4.28Å; F109-L113 WeakPolarHBondContact O-CG 3.47Å; F109-L113 PolarHBondContact O-N 3.34Å; K110-L113 PolarHBondContact O-N 3.08Å; L113-V116 PolarHBondContact O-N 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.34Å; L113-E117 PolarHBondContact O-N 3.22Å
114	R	89.4	Confident	92.5	Very high	175 Å²	175	49.9 Å²	49.9	66%	0.66	24%	0.237	S	C	*	.	H	α-helix	trans	-64.3	-42.8	177.6	-173.3	175.7	179.8	170.5	0.7	112.4	K110 L111 F112 T118	K110-R114 PolarHBondContact O-N 3.12Å; K110-R114 VanDerWaalsContact O-N 3.09Å; L111-R114 PolarHBondContact O-N 3.26Å; F112-R114 VanDerWaalsContact C-N 3.29Å; F112-R114 PolarHBondContact O-N 3.41Å; R114-T118 PolarHBondContact O-N 3.03Å; R114-T118 VanDerWaalsContact O-N 3.14Å; R114-T118 PolarHBondContact O-OG1 3.39Å
115	Q	92.4	Very high	92.5	Very high	42 Å²	42	47 Å²	47	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-43.7	178.2	-75	178.5	-14	0	0	111.9	L111 F112 Y119 A209	L111-Q115 HydrophobicContact CD1-CG 4.38Å; L111-Q115 WeakPolarHBondContact O-CG 3.33Å; L111-Q115 PolarHBondContact O-N 3.01Å; F112-Q115 PolarHBondContact O-N 3.17Å; F112-Q115 VanDerWaalsContact O-N 3.16Å; Q115-Y119 HydrophobicContact CB-CD2 4.27Å; Q115-Y119 WeakPolarHBondContact O-CB 3.47Å; Q115-Y119 VanDerWaalsContact O-CD2 3.29Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.21Å; Q115-Y119 PolarHBondContact O-N 3.09Å; Q115-A209 HydrophobicContact CB-CB 4.18Å
116	V	93	Very high	92.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-41.2	179.4	170	0	0	0	0	111.1	V51 F112 L113 A120 F121 F206 A209	V51-V116 HydrophobicContact CG2-CG1 4.16Å; F112-V116 HydrophobicContact CD2-CG2 3.77Å; F112-V116 HydrophobicContact CE2-CG2 3.36Å; F112-V116 HydrophobicContact CG-CG2 4.5Å; F112-V116 HydrophobicContact CZ-CG2 3.83Å; F112-V116 WeakPolarHBondContact O-CG2 3.18Å; F112-V116 PolarHBondContact O-N 2.89Å; L113-V116 PolarHBondContact O-N 3.31Å; V116-A120 HydrophobicContact CG1-CB 4.32Å; V116-A120 CarbonylContact O-C 3.6Å; V116-A120 WeakPolarHBondContact O-CA 3.2Å; V116-A120 WeakPolarHBondContact O-CB 3.13Å; V116-A120 PolarHBondContact O-N 3.11Å; V116-F121 HydrophobicContact CG1-CD2 3.78Å; V116-F121 HydrophobicContact CG1-CE1 4.46Å; V116-F121 HydrophobicContact CG1-CE2 3.48Å; V116-F121 VanDerWaalsContact CG1-CE2 3.48Å; V116-F121 HydrophobicContact CG1-CG 4.39Å; V116-F121 HydrophobicContact CG1-CZ 3.84Å; V116-F121 PolarHBondContact O-N 2.89Å; V116-F206 HydrophobicContact CB-CD2 4.49Å; V116-F206 HydrophobicContact CG1-CD2 3.68Å; V116-F206 HydrophobicContact CG1-CE2 3.8Å; V116-F206 HydrophobicContact CG2-CD2 3.98Å; V116-F206 HydrophobicContact CG2-CE2 4.21Å; V116-A209 HydrophobicContact CG2-CB 3.99Å
117	E	90.4	Very high	93	Very high	47 Å²	47	51 Å²	51	22%	0.22	24%	0.241	C	C	.	.	I	π-helix	trans	-58.2	-54.2	175.8	-171.5	63.8	-162.9	0	0	111.1	F59 P61 L113 F121 E122	F59-E117 WeakPolarHBondContact CD1-OE2 3.44Å; F59-E117 HydrophobicContact CE1-CB 4.23Å; F59-E117 WeakPolarHBondContact CE1-OE2 3.15Å; P61-E117 HydrophobicContact CG-CB 4.13Å; P61-E117 HydrophobicContact CG-CG 4.28Å; L113-E117 WeakPolarHBondContact O-CB 3.34Å; L113-E117 PolarHBondContact O-N 3.22Å; E117-F121 PolarHBondContact O-N 2.87Å; E117-F121 WeakPolarHBondContact OE2-CD2 3.48Å; E117-E122 WeakPolarHBondContact O-CG 3.32Å; E117-E122 PolarHBondContact O-N 2.95Å
118	T	93.3	Very high	93.3	Very high	49 Å²	49	47 Å²	47	30%	0.301	22%	0.216	S	C	.	.	I	π-helix	trans	-72.9	-41.7	-174.2	-58.9	0	0	0	0	113.6	R114 P123	R114-T118 PolarHBondContact O-N 3.03Å; R114-T118 VanDerWaalsContact O-N 3.14Å; R114-T118 PolarHBondContact O-OG1 3.39Å; T118-P123 WeakPolarHBondContact O-CD 3.46Å
119	Y	95.3	Very high	93.5	Very high	131 Å²	131	52.6 Å²	52.6	51%	0.514	24%	0.238	S	C	.	.	I	π-helix	trans	-103.4	-11.4	-169.4	-57.5	-63.8	0	0	0	114.4	Q115	Q115-Y119 HydrophobicContact CB-CD2 4.27Å; Q115-Y119 WeakPolarHBondContact O-CB 3.47Å; Q115-Y119 VanDerWaalsContact O-CD2 3.29Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.21Å; Q115-Y119 PolarHBondContact O-N 3.09Å
120	A	95.2	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-118.3	-57.3	174.8	0	0	0	0	0	111.5	V116 L124 F206	V116-A120 HydrophobicContact CG1-CB 4.32Å; V116-A120 CarbonylContact O-C 3.6Å; V116-A120 WeakPolarHBondContact O-CA 3.2Å; V116-A120 WeakPolarHBondContact O-CB 3.13Å; V116-A120 PolarHBondContact O-N 3.11Å; A120-L124 WeakPolarHBondContact O-CB 3.3Å; A120-L124 WeakPolarHBondContact O-CD1 3.44Å; A120-L124 WeakPolarHBondContact O-CG 3.32Å; A120-L124 PolarHBondContact O-N 2.86Å; A120-F206 HydrophobicContact CB-CB 4.12Å; A120-F206 HydrophobicContact CB-CD2 4.39Å
121	F	94.6	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-71.3	-43.2	-173.7	-68.1	-38.6	0	0	0	113.7	I44 M47 R48 F59 V116 E117 L124 N125	I44-F121 HydrophobicContact CG2-CD1 4.17Å; I44-F121 HydrophobicContact CG2-CE1 4.28Å; M47-F121 HydrophobicContact CB-CE1 3.56Å; M47-F121 HydrophobicContact CB-CZ 3.94Å; M47-F121 HydrophobicContact SD-CE1 4.38Å; R48-F121 HydrophobicContact CB-CZ 4.34Å; R48-F121 HydrophobicContact CG-CE1 3.85Å; R48-F121 HydrophobicContact CG-CE2 4.02Å; R48-F121 HydrophobicContact CG-CZ 3.44Å; R48-F121 VanDerWaalsContact CG-CZ 3.44Å; F59-F121 HydrophobicContact CD1-CE2 4.5Å; F59-F121 AromaticContact CE1-CD2 3.98Å; F59-F121 HydrophobicContact CE1-CD2 3.98Å; F59-F121 AromaticContact CE1-CE2 3.85Å; F59-F121 HydrophobicContact CE1-CE2 3.85Å; F59-F121 HydrophobicContact CZ-CD2 4.45Å; F59-F121 AromaticContact CZ-CE2 3.9Å; F59-F121 HydrophobicContact CZ-CE2 3.9Å; V116-F121 HydrophobicContact CG1-CD2 3.78Å; V116-F121 HydrophobicContact CG1-CE1 4.46Å; V116-F121 HydrophobicContact CG1-CE2 3.48Å; V116-F121 VanDerWaalsContact CG1-CE2 3.48Å; V116-F121 HydrophobicContact CG1-CG 4.39Å; V116-F121 HydrophobicContact CG1-CZ 3.84Å; V116-F121 PolarHBondContact O-N 2.89Å; E117-F121 PolarHBondContact O-N 2.87Å; E117-F121 WeakPolarHBondContact OE2-CD2 3.48Å; F121-L124 PolarHBondContact O-N 3.34Å; F121-N125 WeakPolarHBondContact O-CB 3.49Å; F121-N125 PolarHBondContact O-N 3.48Å; F121-N125 PolarHBondContact O-ND2 2.83Å
122	E	94.2	Very high	94.3	Very high	104 Å²	104	49.2 Å²	49.2	49%	0.486	22%	0.223	S	C	.	.	H	α-helix	trans	-57.3	-53.4	179.3	-83.1	175.1	-166	0	0	112.4	E117 L124 N125 K126	E117-E122 WeakPolarHBondContact O-CG 3.32Å; E117-E122 PolarHBondContact O-N 2.95Å; E122-L124 PolarHBondContact O-N 3.47Å; E122-N125 PolarHBondContact O-N 3.37Å; E122-K126 WeakPolarHBondContact O-CB 3.14Å; E122-K126 PolarHBondContact O-N 2.81Å
123	P	96.3	Very high	94.4	Very high	37 Å²	37	52.1 Å²	52.1	24%	0.24	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-41.9	177.8	-24.7	33.2	0	0	0	113.9	T118 K126 F127 A202	T118-P123 WeakPolarHBondContact O-CD 3.46Å; P123-K126 PolarHBondContact O-N 3.41Å; P123-F127 PolarHBondContact O-N 3.13Å; P123-F127 VanDerWaalsContact O-N 3.13Å; P123-A202 HydrophobicContact CB-CB 4.48Å
124	L	97.3	Very high	94.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.1	-40.3	179.9	-63.9	176.1	0	0	0	111.5	V40 L43 I44 M47 A120 F121 E122 F127 V128 I199 A202	V40-L124 HydrophobicContact CG1-CB 3.92Å; V40-L124 HydrophobicContact CG1-CD2 3.87Å; V40-L124 HydrophobicContact CG1-CG 4.38Å; L43-L124 HydrophobicContact CD2-CD1 4.26Å; I44-L124 HydrophobicContact CD1-CB 3.77Å; I44-L124 HydrophobicContact CG1-CB 3.75Å; I44-L124 HydrophobicContact CG1-CD1 4.03Å; M47-L124 HydrophobicContact CE-CD1 4.45Å; M47-L124 HydrophobicContact SD-CD1 3.95Å; A120-L124 WeakPolarHBondContact O-CB 3.3Å; A120-L124 WeakPolarHBondContact O-CD1 3.44Å; A120-L124 WeakPolarHBondContact O-CG 3.32Å; A120-L124 PolarHBondContact O-N 2.86Å; F121-L124 PolarHBondContact O-N 3.34Å; E122-L124 PolarHBondContact O-N 3.47Å; L124-F127 PolarHBondContact O-N 2.94Å; L124-V128 WeakPolarHBondContact O-CG2 3.3Å; L124-V128 PolarHBondContact O-N 3.32Å; L124-V128 VanDerWaalsContact O-N 3.12Å; L124-I199 HydrophobicContact CD2-CB 4.18Å; L124-I199 HydrophobicContact CD2-CG1 3.95Å; L124-I199 HydrophobicContact CD2-CG2 4.13Å; L124-A202 HydrophobicContact CD1-CB 4.18Å; L124-A202 HydrophobicContact CD2-CB 3.81Å; L124-A202 HydrophobicContact CG-CB 3.75Å
125	N	96.1	Very high	94.8	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-40.4	174.9	-83.6	-70.4	0	0	0	111.4	F121 E122 F127 V128 K129	F121-N125 WeakPolarHBondContact O-CB 3.49Å; F121-N125 PolarHBondContact O-N 3.48Å; F121-N125 PolarHBondContact O-ND2 2.83Å; E122-N125 PolarHBondContact O-N 3.37Å; N125-F127 PolarHBondContact O-N 3.35Å; N125-V128 PolarHBondContact O-N 2.84Å; N125-K129 HydrophobicContact CB-CD 4.26Å; N125-K129 WeakPolarHBondContact O-CB 3.38Å; N125-K129 WeakPolarHBondContact O-CG 3.11Å; N125-K129 PolarHBondContact O-N 3.12Å; N125-K129 WeakPolarHBondContact OD1-CE 3.49Å; N125-K129 PolarHBondContact OD1-NZ 3.44Å
126	K	96.1	Very high	94.8	Very high	111 Å²	111	48.5 Å²	48.5	48%	0.483	23%	0.231	S	C	.	.	H	α-helix	trans	-56.9	-49.9	175.8	-176.1	179.5	179.3	-178.9	0	110.9	E122 P123 V128 E130 D131	E122-K126 WeakPolarHBondContact O-CB 3.14Å; E122-K126 PolarHBondContact O-N 2.81Å; P123-K126 PolarHBondContact O-N 3.41Å; K126-V128 PolarHBondContact O-N 3.35Å; K126-E130 WeakPolarHBondContact O-CA 3.3Å; K126-E130 VanDerWaalsContact O-CB 3.26Å; K126-E130 WeakPolarHBondContact O-CB 3.18Å; K126-E130 PolarHBondContact O-N 3.17Å; K126-D131 PolarHBondContact O-N 3.38Å
127	F	96.8	Very high	94.9	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	25%	0.251	C	S	.	.	I	π-helix	trans	-57.7	-49.9	177.5	171.6	-111.6	0	0	0	112.3	M36 V40 P123 L124 N125 D131 A132 Y195 I199	M36-F127 HydrophobicContact CB-CE1 4.12Å; M36-F127 HydrophobicContact CB-CZ 3.98Å; M36-F127 HydrophobicContact CE-CZ 4.28Å; V40-F127 HydrophobicContact CB-CD1 4.26Å; V40-F127 HydrophobicContact CB-CE1 4.41Å; V40-F127 HydrophobicContact CG1-CD1 4.28Å; V40-F127 HydrophobicContact CG2-CD1 4.04Å; V40-F127 HydrophobicContact CG2-CE1 4.02Å; P123-F127 PolarHBondContact O-N 3.13Å; P123-F127 VanDerWaalsContact O-N 3.13Å; L124-F127 PolarHBondContact O-N 2.94Å; N125-F127 PolarHBondContact O-N 3.35Å; F127-D131 HydrophobicContact CD2-CB 4.18Å; F127-D131 PolarHBondContact O-N 3.27Å; F127-A132 WeakPolarHBondContact O-CB 3.49Å; F127-A132 PolarHBondContact O-N 3.4Å; F127-Y195 AromaticContact CD2-CD1 3.78Å; F127-Y195 HydrophobicContact CD2-CD1 3.78Å; F127-Y195 HydrophobicContact CD2-CD2 4.2Å; F127-Y195 HydrophobicContact CD2-CE1 4.35Å; F127-Y195 AromaticContact CD2-CG 3.71Å; F127-Y195 HydrophobicContact CD2-CG 3.71Å; F127-Y195 HydrophobicContact CE2-CD1 4.28Å; F127-Y195 AromaticContact CE2-CD2 3.87Å; F127-Y195 HydrophobicContact CE2-CD2 3.87Å; F127-Y195 AromaticContact CE2-CG 3.74Å; F127-Y195 HydrophobicContact CE2-CG 3.74Å; F127-I199 HydrophobicContact CD1-CD1 4.09Å; F127-I199 HydrophobicContact CE1-CD1 4.05Å
128	V	96.3	Very high	95	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.055	25%	0.248	C	C	.	.	I	π-helix	trans	-71.2	-41.3	-174.8	170.4	0	0	0	0	112.9	V40 Q41 I44 L124 N125 K126	V40-V128 HydrophobicContact CB-CG2 3.86Å; V40-V128 HydrophobicContact CG1-CG2 3.48Å; V40-V128 VanDerWaalsContact CG1-CG2 3.48Å; Q41-V128 HydrophobicContact CG-CB 4.42Å; Q41-V128 HydrophobicContact CG-CG1 3.43Å; Q41-V128 VanDerWaalsContact CG-CG1 3.43Å; Q41-V128 HydrophobicContact CG-CG2 4.08Å; I44-V128 HydrophobicContact CD1-CG2 4.34Å; L124-V128 WeakPolarHBondContact O-CG2 3.3Å; L124-V128 PolarHBondContact O-N 3.32Å; L124-V128 VanDerWaalsContact O-N 3.12Å; N125-V128 PolarHBondContact O-N 2.84Å; K126-V128 PolarHBondContact O-N 3.35Å
129	K	95.2	Very high	94.8	Very high	130 Å²	130	53.6 Å²	53.6	57%	0.565	25%	0.25	S	C	*	.	I	π-helix	trans	-94.1	-24.3	-169.9	-64.2	176.3	174.3	165.8	0	113.4	N125 V133	N125-K129 HydrophobicContact CB-CD 4.26Å; N125-K129 WeakPolarHBondContact O-CB 3.38Å; N125-K129 WeakPolarHBondContact O-CG 3.11Å; N125-K129 PolarHBondContact O-N 3.12Å; N125-K129 WeakPolarHBondContact OD1-CE 3.49Å; N125-K129 PolarHBondContact OD1-NZ 3.44Å; K129-V133 WeakPolarHBondContact O-CG2 3.49Å
130	E	96	Very high	94.6	Very high	116 Å²	116	53.9 Å²	53.9	54%	0.542	25%	0.254	S	S	.	.	I	π-helix	trans	-112.7	-67.1	-177.9	-58.1	173.8	-157.5	0	0	110.2	K126 V133 L134	K126-E130 WeakPolarHBondContact O-CA 3.3Å; K126-E130 VanDerWaalsContact O-CB 3.26Å; K126-E130 WeakPolarHBondContact O-CB 3.18Å; K126-E130 PolarHBondContact O-N 3.17Å; E130-V133 PolarHBondContact O-N 2.8Å; E130-L134 WeakPolarHBondContact O-CB 3.39Å; E130-L134 PolarHBondContact O-N 3.41Å
131	D	95.1	Very high	94.3	Very high	31 Å²	31	56.3 Å²	56.3	17%	0.166	27%	0.266	C	S	.	.	I	π-helix	trans	-63.5	-51.5	-169.9	-68.5	-60.7	0	0	0	112.7	K126 F127 V133 L134 I135 Y195	K126-D131 PolarHBondContact O-N 3.38Å; F127-D131 HydrophobicContact CD2-CB 4.18Å; F127-D131 PolarHBondContact O-N 3.27Å; D131-V133 VanDerWaalsContact C-N 3.28Å; D131-V133 PolarHBondContact O-N 2.82Å; D131-L134 PolarHBondContact O-N 3.34Å; D131-I135 WeakPolarHBondContact O-CG1 3.47Å; D131-I135 PolarHBondContact O-N 2.86Å; D131-Y195 HydrophobicContact CB-CE1 3.73Å; D131-Y195 WeakPolarHBondContact CB-OH 3.43Å; D131-Y195 PolarHBondContact OD1-OH 3.3Å; D131-Y195 WeakPolarHBondContact OD2-CE1 3.5Å
132	A	94.4	Very high	94.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-33.4	179.5	0	0	0	0	0	112.1	I33 F127 R136	I33-A132 HydrophobicContact CG2-CB 4.44Å; F127-A132 WeakPolarHBondContact O-CB 3.49Å; F127-A132 PolarHBondContact O-N 3.4Å; A132-R136 WeakPolarHBondContact O-CG 3.37Å; A132-R136 PolarHBondContact O-N 3.14Å; A132-R136 VanDerWaalsContact O-N 3.11Å
133	V	94.8	Very high	93.7	Very high	71 Å²	71	54 Å²	54	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-43.3	176.6	175.7	0	0	0	0	110.8	K129 E130 D131 I135 R136 Q137	K129-V133 WeakPolarHBondContact O-CG2 3.49Å; E130-V133 PolarHBondContact O-N 2.8Å; D131-V133 VanDerWaalsContact C-N 3.28Å; D131-V133 PolarHBondContact O-N 2.82Å; V133-I135 VanDerWaalsContact C-N 3.34Å; V133-I135 PolarHBondContact O-N 3.38Å; V133-R136 WeakPolarHBondContact O-CB 3.47Å; V133-R136 PolarHBondContact O-N 3.17Å; V133-Q137 PolarHBondContact O-N 3.32Å
134	L	95.4	Very high	93.4	Very high	76 Å²	76	58.4 Å²	58.4	40%	0.398	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-45.9	175.5	179	62.3	0	0	0	110.9	E130 D131 R136 Q137 E138 L188	E130-L134 WeakPolarHBondContact O-CB 3.39Å; E130-L134 PolarHBondContact O-N 3.41Å; D131-L134 PolarHBondContact O-N 3.34Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 2.73Å; L134-Q137 PolarHBondContact O-N 3.39Å; L134-Q137 VanDerWaalsContact O-N 3.13Å; L134-E138 HydrophobicContact CD1-CG 4.12Å; L134-E138 HydrophobicContact CG-CG 4.44Å; L134-E138 WeakPolarHBondContact O-CG 3.49Å; L134-E138 PolarHBondContact O-N 3.44Å; L134-L188 HydrophobicContact CD2-CD1 4.38Å; L134-L188 HydrophobicContact CD2-CD2 4.12Å; L134-L188 HydrophobicContact CG-CD1 4.21Å
135	I	93.7	Very high	92.9	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-41.9	178.7	-67.7	172.8	0	0	0	111.4	L30 I33 D131 V133 Q137 E138 K139 L188 L189 Y195	L30-I135 HydrophobicContact CD2-CG2 3.95Å; I33-I135 HydrophobicContact CD1-CD1 3.49Å; I33-I135 VanDerWaalsContact CD1-CD1 3.49Å; I33-I135 HydrophobicContact CD1-CG2 4.31Å; I33-I135 HydrophobicContact CG2-CD1 4.3Å; D131-I135 WeakPolarHBondContact O-CG1 3.47Å; D131-I135 PolarHBondContact O-N 2.86Å; V133-I135 VanDerWaalsContact C-N 3.34Å; V133-I135 PolarHBondContact O-N 3.38Å; I135-Q137 VanDerWaalsContact C-N 3.35Å; I135-Q137 PolarHBondContact O-N 3.04Å; I135-E138 PolarHBondContact O-N 3Å; I135-K139 VanDerWaalsContact O-CB 3.24Å; I135-K139 WeakPolarHBondContact O-CB 3.41Å; I135-K139 PolarHBondContact O-N 3.14Å; I135-L188 HydrophobicContact CD1-CB 4.21Å; I135-L188 HydrophobicContact CG1-CB 3.88Å; I135-L188 HydrophobicContact CG1-CD1 4.04Å; I135-L188 HydrophobicContact CG1-CG 4.49Å; I135-L189 HydrophobicContact CG2-CD2 4.35Å; I135-Y195 HydrophobicContact CD1-CE2 4.12Å
136	R	92.2	Very high	92.4	Very high	79 Å²	79	61.5 Å²	61.5	30%	0.298	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-43.3	173.7	-75.1	176.2	-167.3	121.5	0.5	112.3	E34 S37 A132 V133 L134 K139 K140	E34-R136 VanDerWaalsContact CD-NE 3.28Å; E34-R136 WeakPolarHBondContact OE1-CD 3.32Å; E34-R136 WeakPolarHBondContact OE1-CG 3.45Å; E34-R136 IonicContact OE1-CZ 3.48Å; E34-R136 IonicContact OE1-NE 2.67Å; E34-R136 PolarHBondContact OE1-NE 2.89Å; E34-R136 IonicContact OE1-NH2 2.64Å; E34-R136 IonicContact OE2-CZ 3.71Å; E34-R136 VanDerWaalsContact OE2-CZ 3.24Å; E34-R136 IonicContact OE2-NE 2.65Å; E34-R136 PolarHBondContact OE2-NE 3.46Å; E34-R136 IonicContact OE2-NH2 3.01Å; E34-R136 PolarHBondContact OE2-NH2 3.32Å; S37-R136 PolarHBondContact OG-NH2 3.06Å; A132-R136 WeakPolarHBondContact O-CG 3.37Å; A132-R136 PolarHBondContact O-N 3.14Å; A132-R136 VanDerWaalsContact O-N 3.11Å; V133-R136 WeakPolarHBondContact O-CB 3.47Å; V133-R136 PolarHBondContact O-N 3.17Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 2.73Å; R136-K139 PolarHBondContact O-N 3.21Å; R136-K140 PolarHBondContact O-N 2.99Å
137	Q	93.5	Very high	91.8	Very high	91 Å²	91	58.3 Å²	58.3	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-45.6	179.8	-177.2	56.3	41.1	0	0	111.1	V133 L134 I135 K139 K140 N141	V133-Q137 PolarHBondContact O-N 3.32Å; L134-Q137 PolarHBondContact O-N 3.39Å; L134-Q137 VanDerWaalsContact O-N 3.13Å; I135-Q137 VanDerWaalsContact C-N 3.35Å; I135-Q137 PolarHBondContact O-N 3.04Å; Q137-K139 VanDerWaalsContact C-N 3.32Å; Q137-K139 PolarHBondContact O-N 2.95Å; Q137-K140 WeakPolarHBondContact O-CB 3.48Å; Q137-K140 PolarHBondContact O-N 3.36Å; Q137-N141 PolarHBondContact NE2-OD1 2.93Å; Q137-N141 PolarHBondContact O-N 3.31Å
138	E	92.9	Very high	91.4	Very high	35 Å²	35	61.2 Å²	61.2	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-35.6	177.3	-64.9	-47.9	144.8	0	0	111.9	L134 I135 K140 N141 L142 Q181 V184 I185 L188	L134-E138 HydrophobicContact CD1-CG 4.12Å; L134-E138 HydrophobicContact CG-CG 4.44Å; L134-E138 WeakPolarHBondContact O-CG 3.49Å; L134-E138 PolarHBondContact O-N 3.44Å; I135-E138 PolarHBondContact O-N 3Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 3.27Å; E138-N141 WeakPolarHBondContact O-CB 3.42Å; E138-N141 PolarHBondContact O-N 3.46Å; E138-N141 VanDerWaalsContact O-N 3.13Å; E138-N141 PolarHBondContact OE2-ND2 3.39Å; E138-L142 PolarHBondContact O-N 3.15Å; E138-Q181 PolarHBondContact O-NE2 3.07Å; E138-Q181 VanDerWaalsContact O-NE2 3.17Å; E138-Q181 PolarHBondContact OE2-NE2 2.91Å; E138-V184 HydrophobicContact CG-CG1 4.23Å; E138-I185 VanDerWaalsContact C-CD1 3.42Å; E138-I185 HydrophobicContact CB-CD1 4.19Å; E138-I185 HydrophobicContact CB-CG1 3.71Å; E138-I185 WeakPolarHBondContact O-CD1 3.38Å; E138-L188 HydrophobicContact CB-CD1 4.3Å; E138-L188 HydrophobicContact CG-CD1 3.94Å
139	K	89.6	Confident	90.8	Very high	77 Å²	77	61.4 Å²	61.4	34%	0.335	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-40.6	172.5	-174	-109.7	176.2	-170	0	112.3	L30 I135 R136 Q137 N141 L142 D143 I185	L30-K139 HydrophobicContact CD1-CG 3.95Å; L30-K139 HydrophobicContact CD2-CG 4.29Å; I135-K139 VanDerWaalsContact O-CB 3.24Å; I135-K139 WeakPolarHBondContact O-CB 3.41Å; I135-K139 PolarHBondContact O-N 3.14Å; R136-K139 PolarHBondContact O-N 3.21Å; Q137-K139 VanDerWaalsContact C-N 3.32Å; Q137-K139 PolarHBondContact O-N 2.95Å; K139-N141 VanDerWaalsContact C-N 3.33Å; K139-N141 PolarHBondContact O-N 3.19Å; K139-L142 PolarHBondContact O-N 2.84Å; K139-D143 WeakPolarHBondContact CE-OD2 3.41Å; K139-D143 IonicContact NZ-OD2 3.62Å; K139-D143 PolarHBondContact NZ-OD2 3.47Å; K139-D143 VanDerWaalsContact NZ-OD2 3.08Å; K139-D143 VanDerWaalsContact O-CG 3.29Å; K139-D143 PolarHBondContact O-N 3.04Å; K139-I185 HydrophobicContact CB-CD1 4.06Å
140	K	90.1	Very high	90.1	Very high	138 Å²	138	57 Å²	57	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-63.4	-39.3	173	-173.3	-179.5	178.5	-178.5	0	112	R136 Q137 E138 D143 K144	R136-K140 PolarHBondContact O-N 2.99Å; Q137-K140 WeakPolarHBondContact O-CB 3.48Å; Q137-K140 PolarHBondContact O-N 3.36Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 3.27Å; K140-D143 PolarHBondContact O-N 3.33Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.12Å
141	N	90.7	Very high	89.6	Confident	50 Å²	50	56.3 Å²	56.3	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-41.7	174.7	-65.7	-21.4	0	0	0	111.2	Q137 E138 K139 K144 M145 Q181	Q137-N141 PolarHBondContact NE2-OD1 2.93Å; Q137-N141 PolarHBondContact O-N 3.31Å; E138-N141 WeakPolarHBondContact O-CB 3.42Å; E138-N141 PolarHBondContact O-N 3.46Å; E138-N141 VanDerWaalsContact O-N 3.13Å; E138-N141 PolarHBondContact OE2-ND2 3.39Å; K139-N141 VanDerWaalsContact C-N 3.33Å; K139-N141 PolarHBondContact O-N 3.19Å; N141-K144 WeakPolarHBondContact O-CB 3.35Å; N141-K144 PolarHBondContact O-N 3.28Å; N141-M145 WeakPolarHBondContact O-CG 3.26Å; N141-M145 PolarHBondContact O-N 2.98Å; N141-Q181 HydrophobicContact CB-CG 4.38Å
142	L	89.1	Confident	89	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-45.4	175.9	-175.1	68.1	0	0	0	111.7	Y22 F26 E138 K139 K144 M145 R146 F178 Q181 A182 I185	Y22-L142 HydrophobicContact CE1-CD2 3.76Å; Y22-L142 HydrophobicContact CE1-CG 4.18Å; F26-L142 HydrophobicContact CE1-CD2 4.12Å; F26-L142 HydrophobicContact CE2-CD2 4.43Å; F26-L142 HydrophobicContact CZ-CD2 3.61Å; E138-L142 PolarHBondContact O-N 3.15Å; K139-L142 PolarHBondContact O-N 2.84Å; L142-K144 PolarHBondContact O-N 3.14Å; L142-M145 PolarHBondContact O-N 3.27Å; L142-R146 WeakPolarHBondContact O-CB 3.43Å; L142-R146 PolarHBondContact O-N 3.42Å; L142-F178 HydrophobicContact CD1-CD2 3.59Å; L142-F178 HydrophobicContact CD1-CE2 3.37Å; L142-F178 HydrophobicContact CD1-CZ 4.23Å; L142-F178 HydrophobicContact CG-CD2 4.42Å; L142-F178 HydrophobicContact CG-CE2 3.87Å; L142-Q181 HydrophobicContact CB-CG 3.88Å; L142-Q181 HydrophobicContact CD1-CB 3.94Å; L142-Q181 HydrophobicContact CD1-CG 3.87Å; L142-A182 HydrophobicContact CD1-CB 4.05Å; L142-I185 HydrophobicContact CB-CD1 3.64Å; L142-I185 HydrophobicContact CD2-CD1 3.74Å; L142-I185 HydrophobicContact CG-CD1 4.28Å
143	D	86.7	Confident	88.4	Confident	53 Å²	53	56.5 Å²	56.5	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-56.8	-39.3	175.8	-72	-22.8	0	0	0	111.1	Y22 K139 K140 A147	Y22-D143 WeakPolarHBondContact CE2-OD1 3.4Å; Y22-D143 VanDerWaalsContact CZ-OD1 3.29Å; Y22-D143 WeakPolarHBondContact OH-CA 3.35Å; Y22-D143 PolarHBondContact OH-OD1 3.24Å; K139-D143 WeakPolarHBondContact CE-OD2 3.41Å; K139-D143 IonicContact NZ-OD2 3.62Å; K139-D143 PolarHBondContact NZ-OD2 3.47Å; K139-D143 VanDerWaalsContact NZ-OD2 3.08Å; K139-D143 VanDerWaalsContact O-CG 3.29Å; K139-D143 PolarHBondContact O-N 3.04Å; K140-D143 PolarHBondContact O-N 3.33Å; D143-A147 PolarHBondContact O-N 2.88Å; D143-A147 VanDerWaalsContact O-N 3.09Å
144	K	88.4	Confident	87.7	Confident	130 Å²	130	56.7 Å²	56.7	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-67.2	-49.9	175.3	-173.8	-176.5	176	-174.4	0	112.4	K140 N141 L142 R146 A147 D148	K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.12Å; N141-K144 WeakPolarHBondContact O-CB 3.35Å; N141-K144 PolarHBondContact O-N 3.28Å; L142-K144 PolarHBondContact O-N 3.14Å; K144-R146 PolarHBondContact O-N 3.34Å; K144-A147 WeakPolarHBondContact O-CB 3.2Å; K144-A147 PolarHBondContact O-N 2.9Å; K144-A147 VanDerWaalsContact O-N 3.1Å; K144-D148 PolarHBondContact O-N 3.39Å
145	M	88.1	Confident	86.9	Confident	52 Å²	52	60.2 Å²	60.2	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-33.7	179.7	-65.4	-60.8	163.9	0	0	111.7	N141 L142 D148 Y149 N177 F178 Q181	N141-M145 WeakPolarHBondContact O-CG 3.26Å; N141-M145 PolarHBondContact O-N 2.98Å; L142-M145 PolarHBondContact O-N 3.27Å; M145-D148 PolarHBondContact O-N 2.82Å; M145-Y149 WeakPolarHBondContact O-CB 3.28Å; M145-Y149 PolarHBondContact O-N 2.72Å; M145-N177 HydrophobicContact SD-CB 4Å; M145-F178 HydrophobicContact CB-CB 4.35Å; M145-F178 HydrophobicContact CB-CD2 4.27Å; M145-Q181 HydrophobicContact CG-CB 4.4Å
146	R	84.3	Confident	86.1	Confident	34 Å²	34	62.6 Å²	62.6	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-48.2	172.4	-172.5	-179.5	157.2	-151.6	-11.4	111.7	T20 L142 K144 D148 Y149 D150 F178	T20-R146 VanDerWaalsContact C-CZ 3.42Å; T20-R146 VanDerWaalsContact N-NH2 3.12Å; T20-R146 PolarHBondContact O-NE 3.21Å; T20-R146 PolarHBondContact O-NH1 2.97Å; T20-R146 PolarHBondContact O-NH2 3.23Å; T20-R146 PolarHBondContact OG1-NE 2.91Å; T20-R146 PolarHBondContact OG1-NH2 3.35Å; L142-R146 WeakPolarHBondContact O-CB 3.43Å; L142-R146 PolarHBondContact O-N 3.42Å; K144-R146 PolarHBondContact O-N 3.34Å; R146-D148 VanDerWaalsContact C-N 3.34Å; R146-D148 PolarHBondContact O-N 3.42Å; R146-Y149 WeakPolarHBondContact O-CB 3.41Å; R146-Y149 PolarHBondContact O-N 2.87Å; R146-D150 IonicContact NE-OD2 2.64Å; R146-D150 PolarHBondContact O-N 3.5Å; R146-F178 HydrophobicContact CB-CD2 3.89Å; R146-F178 HydrophobicContact CB-CE2 3.57Å; R146-F178 HydrophobicContact CB-CZ 4.43Å; R146-F178 HydrophobicContact CG-CE2 3.97Å; R146-F178 HydrophobicContact CG-CZ 4.37Å
147	A	85.2	Confident	85.4	Confident	44 Å²	44	66 Å²	66	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-42	177.4	0	0	0	0	0	111.8	D143 K144 Y149 D150 N151	D143-A147 PolarHBondContact O-N 2.88Å; D143-A147 VanDerWaalsContact O-N 3.09Å; K144-A147 WeakPolarHBondContact O-CB 3.2Å; K144-A147 PolarHBondContact O-N 2.9Å; K144-A147 VanDerWaalsContact O-N 3.1Å; A147-Y149 VanDerWaalsContact C-N 3.27Å; A147-Y149 PolarHBondContact O-N 3.01Å; A147-D150 PolarHBondContact O-N 2.87Å; A147-N151 VanDerWaalsContact O-CB 3.28Å; A147-N151 WeakPolarHBondContact O-CB 3.03Å; A147-N151 PolarHBondContact O-N 2.89Å; A147-N151 PolarHBondContact O-ND2 2.85Å; A147-N151 VanDerWaalsContact O-ND2 3.09Å
148	D	87.2	Confident	84.5	Confident	65 Å²	65	67.1 Å²	67.1	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-35.9	175.7	-69	-21.5	0	0	0	111.7	K144 M145 R146 A152	K144-D148 PolarHBondContact O-N 3.39Å; M145-D148 PolarHBondContact O-N 2.82Å; R146-D148 VanDerWaalsContact C-N 3.34Å; R146-D148 PolarHBondContact O-N 3.42Å; D148-A152 WeakPolarHBondContact O-CB 3.36Å; D148-A152 PolarHBondContact O-N 2.94Å; D148-A152 VanDerWaalsContact O-N 3.09Å
149	Y	83.9	Confident	83.2	Confident	13 Å²	13	67 Å²	67	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-71.9	-47	175.7	178.4	-105.8	0	0	0	113.3	V14 M145 R146 A147 N151 A152 C153 L171 C174 K175	V14-Y149 HydrophobicContact CB-CE1 4.39Å; V14-Y149 HydrophobicContact CG1-CE1 3.33Å; V14-Y149 WeakPolarHBondContact CG1-OH 3.47Å; V14-Y149 HydrophobicContact CG2-CE1 4.14Å; M145-Y149 WeakPolarHBondContact O-CB 3.28Å; M145-Y149 PolarHBondContact O-N 2.72Å; R146-Y149 WeakPolarHBondContact O-CB 3.41Å; R146-Y149 PolarHBondContact O-N 2.87Å; A147-Y149 VanDerWaalsContact C-N 3.27Å; A147-Y149 PolarHBondContact O-N 3.01Å; Y149-N151 VanDerWaalsContact C-N 3.3Å; Y149-N151 PolarHBondContact O-N 2.89Å; Y149-A152 WeakPolarHBondContact O-CB 3.41Å; Y149-A152 PolarHBondContact O-N 3.34Å; Y149-A152 VanDerWaalsContact O-N 3.14Å; Y149-C153 VanDerWaalsContact CZ-SG 3.55Å; Y149-C153 PolarHBondContact O-N 3.37Å; Y149-C153 PolarHBondContact O-SG 3.27Å; Y149-L171 HydrophobicContact CD2-CD1 3.91Å; Y149-L171 HydrophobicContact CE2-CD1 3.39Å; Y149-L171 HydrophobicContact CE2-CG 4.18Å; Y149-C174 HydrophobicContact CD2-CB 4Å; Y149-K175 HydrophobicContact CD2-CB 3.92Å; Y149-K175 HydrophobicContact CE2-CB 3.57Å; Y149-K175 HydrophobicContact CE2-CD 4.46Å; Y149-K175 HydrophobicContact CE2-CG 4Å
150	D	80.9	Confident	81.9	Confident	37 Å²	37	71.3 Å²	71.3	20%	0.198	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-43.3	175.8	-72	-17.7	0	0	0	110	T20 R146 A147 A152 C153 D154	T20-D150 PolarHBondContact OG1-OD1 2.79Å; T20-D150 PolarHBondContact OG1-OD2 2.82Å; T20-D150 VanDerWaalsContact OG1-OD2 3.07Å; R146-D150 IonicContact NE-OD2 2.64Å; R146-D150 PolarHBondContact O-N 3.5Å; A147-D150 PolarHBondContact O-N 2.87Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-A152 PolarHBondContact O-N 2.75Å; D150-C153 WeakPolarHBondContact O-CB 3.31Å; D150-C153 PolarHBondContact O-N 2.86Å; D150-C153 VanDerWaalsContact O-N 3.15Å; D150-D154 PolarHBondContact O-N 3.32Å
151	N	84.5	Confident	80.4	Confident	101 Å²	101	73.6 Å²	73.6	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-40.7	174.3	-74	-29.3	0	0	0	112.5	A147 Y149 C153 D154 Y155	A147-N151 VanDerWaalsContact O-CB 3.28Å; A147-N151 WeakPolarHBondContact O-CB 3.03Å; A147-N151 PolarHBondContact O-N 2.89Å; A147-N151 PolarHBondContact O-ND2 2.85Å; A147-N151 VanDerWaalsContact O-ND2 3.09Å; Y149-N151 VanDerWaalsContact C-N 3.3Å; Y149-N151 PolarHBondContact O-N 2.89Å; N151-C153 VanDerWaalsContact C-N 3.33Å; N151-D154 PolarHBondContact O-N 2.96Å; N151-Y155 VanDerWaalsContact O-CB 3.3Å; N151-Y155 WeakPolarHBondContact O-CB 3.16Å; N151-Y155 PolarHBondContact O-N 3.38Å
152	A	84.3	Confident	79	Confident	7 Å²	7	73.5 Å²	73.5	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-36.7	176.2	0	0	0	0	0	111.9	D148 Y149 D150 L156 L171 C174	D148-A152 WeakPolarHBondContact O-CB 3.36Å; D148-A152 PolarHBondContact O-N 2.94Å; D148-A152 VanDerWaalsContact O-N 3.09Å; Y149-A152 WeakPolarHBondContact O-CB 3.41Å; Y149-A152 PolarHBondContact O-N 3.34Å; Y149-A152 VanDerWaalsContact O-N 3.14Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-A152 PolarHBondContact O-N 2.75Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 PolarHBondContact O-N 2.81Å; A152-L171 HydrophobicContact CB-CD1 3.91Å; A152-C174 HydrophobicContact CB-CB 4.35Å
153	C	81	Confident	78.3	Confident	29 Å²	29	78.8 Å²	78.8	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-63.6	-48.8	174.6	-65.9	0	0	0	0	111.2	Y149 D150 N151 Y155 L156 R157 L171	Y149-C153 VanDerWaalsContact CZ-SG 3.55Å; Y149-C153 PolarHBondContact O-N 3.37Å; Y149-C153 PolarHBondContact O-SG 3.27Å; D150-C153 WeakPolarHBondContact O-CB 3.31Å; D150-C153 PolarHBondContact O-N 2.86Å; D150-C153 VanDerWaalsContact O-N 3.15Å; N151-C153 VanDerWaalsContact C-N 3.33Å; C153-Y155 VanDerWaalsContact C-N 3.33Å; C153-Y155 PolarHBondContact O-N 3.33Å; C153-L156 WeakPolarHBondContact O-CB 3.33Å; C153-L156 PolarHBondContact O-N 3.19Å; C153-R157 WeakPolarHBondContact O-CB 3.44Å; C153-R157 PolarHBondContact O-N 3.02Å; C153-L171 HydrophobicContact CB-CD1 4.42Å; C153-L171 WeakPolarHBondContact SG-CD1 3.42Å
154	D	80	Confident	77.8	Confident	74 Å²	74	80.9 Å²	80.9	40%	0.396	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-40.6	179.5	-75.6	-17.6	0	0	0	111.5	D150 N151 L156 R157 N158	D150-D154 PolarHBondContact O-N 3.32Å; N151-D154 PolarHBondContact O-N 2.96Å; D154-L156 VanDerWaalsContact C-N 3.33Å; D154-L156 PolarHBondContact O-N 3.2Å; D154-R157 PolarHBondContact O-N 3.4Å; D154-N158 WeakPolarHBondContact O-CB 3.18Å; D154-N158 PolarHBondContact O-N 3.28Å; D154-N158 PolarHBondContact O-ND2 2.99Å; D154-N158 VanDerWaalsContact O-ND2 3.13Å
155	Y	77.8	Confident	77.4	Confident	151 Å²	151	81.3 Å²	81.3	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-64.8	-37.2	176.6	-166	-105.4	0	0	0	112.5	N151 C153 K167	N151-Y155 VanDerWaalsContact O-CB 3.3Å; N151-Y155 WeakPolarHBondContact O-CB 3.16Å; N151-Y155 PolarHBondContact O-N 3.38Å; C153-Y155 VanDerWaalsContact C-N 3.33Å; C153-Y155 PolarHBondContact O-N 3.33Å; Y155-K167 HydrophobicContact CD1-CD 4.19Å; Y155-K167 HydrophobicContact CD1-CG 4.24Å; Y155-K167 HydrophobicContact CE1-CD 3.98Å; Y155-K167 HydrophobicContact CE1-CG 4.09Å
156	L	78.4	Confident	77	Confident	51 Å²	51	85.5 Å²	85.5	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-45	173.9	-160.5	107.9	0	0	0	111.1	A152 C153 D154 N158 C159 K167 N168 L171	A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 PolarHBondContact O-N 2.81Å; C153-L156 WeakPolarHBondContact O-CB 3.33Å; C153-L156 PolarHBondContact O-N 3.19Å; D154-L156 VanDerWaalsContact C-N 3.33Å; D154-L156 PolarHBondContact O-N 3.2Å; L156-N158 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 2.82Å; L156-C159 PolarHBondContact O-N 3Å; L156-C159 PolarHBondContact O-SG 3.16Å; L156-C159 VanDerWaalsContact O-SG 3.41Å; L156-K167 HydrophobicContact CD1-CB 3.79Å; L156-N168 WeakPolarHBondContact CD1-OD1 3.24Å; L156-L171 HydrophobicContact CD1-CD2 4.42Å; L156-L171 HydrophobicContact CD2-CD2 4.3Å
157	R	76.2	Confident	76.7	Confident	151 Å²	151	85.4 Å²	85.4	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-63.1	-37.7	-178.2	-164.1	-179	-144.6	166	7.8	113	C153 D154 C159	C153-R157 WeakPolarHBondContact O-CB 3.44Å; C153-R157 PolarHBondContact O-N 3.02Å; D154-R157 PolarHBondContact O-N 3.4Å; R157-C159 VanDerWaalsContact C-N 3.35Å
158	N	74.2	Confident	76.5	Confident	114 Å²	114	86 Å²	86	61%	0.61	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2	-175	-69.5	-32.7	0	0	0	114	D154 L156	D154-N158 WeakPolarHBondContact O-CB 3.18Å; D154-N158 PolarHBondContact O-N 3.28Å; D154-N158 PolarHBondContact O-ND2 2.99Å; D154-N158 VanDerWaalsContact O-ND2 3.13Å; L156-N158 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 2.82Å
159	C	67.4	Low	76.5	Confident	32 Å²	32	85.8 Å²	85.8	22%	0.216	44%	0.441	C	S	.	.			trans	-100.5	126.7	-176.8	81.6	0	0	0	0	112.8	L156 R157 K167	L156-C159 PolarHBondContact O-N 3Å; L156-C159 PolarHBondContact O-SG 3.16Å; L156-C159 VanDerWaalsContact O-SG 3.41Å; R157-C159 VanDerWaalsContact C-N 3.35Å; C159-K167 HydrophobicContact CB-CD 4.25Å; C159-K167 WeakPolarHBondContact SG-CD 3.35Å; C159-K167 PolarHBondContact SG-NZ 3.11Å
160	H	60.6	Low	76.6	Confident	169 Å²	169	89 Å²	89	78%	0.782	46%	0.46	S	S	*	.			trans	-104.4	-13.2	-167.3	-70	-50.3	0	0	0	114.4
161	E	59	Low	76.7	Confident	186 Å²	186	88.4 Å²	88.4	87%	0.869	46%	0.456	S	S	*	.	S	Bend	trans	-166	143.4	173.9	-105.3	154.3	-151.9	0	0	110.8
162	G	62.8	Low	76.8	Confident	47 Å²	47	88.3 Å²	88.3	49%	0.485	46%	0.456	S	S	.	.	S	Bend	trans	81	138.1	173	0	0	0	0	0	117.4	I164 K167	G162-I164 PolarHBondContact O-N 3.46Å; G162-K167 PolarHBondContact O-NZ 2.88Å
163	N	72.6	Confident	77.1	Confident	114 Å²	114	94.2 Å²	94.2	61%	0.61	48%	0.48	S	S	*	.			trans	61.8	30.2	175.3	-61.7	-16.9	0	0	0	116.4	D165 Q166 K167	N163-D165 VanDerWaalsContact C-N 3.3Å; N163-D165 PolarHBondContact O-N 3.47Å; N163-Q166 HydrophobicContact CB-CB 4.41Å; N163-Q166 PolarHBondContact O-N 3.37Å; N163-K167 WeakPolarHBondContact O-CG 3.46Å; N163-K167 PolarHBondContact O-N 3.28Å
164	I	76.8	Confident	77.4	Confident	98 Å²	98	93.7 Å²	93.7	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-56.4	-44	177.6	-69.1	173.6	0	0	0	111.3	G162 Q166 K167 N168	G162-I164 PolarHBondContact O-N 3.46Å; I164-Q166 PolarHBondContact O-N 3.49Å; I164-K167 PolarHBondContact O-N 3.02Å; I164-N168 WeakPolarHBondContact CG2-ND2 2.83Å; I164-N168 WeakPolarHBondContact O-CB 3.49Å; I164-N168 PolarHBondContact O-N 3.08Å; I164-N168 PolarHBondContact O-ND2 3.18Å
165	D	79.8	Confident	77.7	Confident	138 Å²	138	92.8 Å²	92.8	74%	0.738	47%	0.469	S	S	*	.	H	α-helix	trans	-61.6	-43	-179.7	-63	-28.4	0	0	0	112.4	N163 K167 N168 A169	N163-D165 VanDerWaalsContact C-N 3.3Å; N163-D165 PolarHBondContact O-N 3.47Å; D165-K167 VanDerWaalsContact C-N 3.32Å; D165-K167 PolarHBondContact O-N 3.29Å; D165-N168 PolarHBondContact O-N 2.94Å; D165-A169 WeakPolarHBondContact O-CB 3.37Å; D165-A169 PolarHBondContact O-N 2.87Å
166	Q	81.2	Confident	78.3	Confident	140 Å²	140	90.2 Å²	90.2	65%	0.654	46%	0.463	S	S	*	.	H	α-helix	trans	-68.6	-33.7	179	-165.4	164	11.1	0	0	112	N163 I164 N170	N163-Q166 HydrophobicContact CB-CB 4.41Å; N163-Q166 PolarHBondContact O-N 3.37Å; I164-Q166 PolarHBondContact O-N 3.49Å; Q166-N170 PolarHBondContact O-N 2.89Å; Q166-N170 VanDerWaalsContact O-N 3.07Å
167	K	77.1	Confident	78.8	Confident	32 Å²	32	90.7 Å²	90.7	14%	0.139	47%	0.465	C	S	.	.	H	α-helix	trans	-73.8	-39.2	175.8	-66	169.9	-179.7	155	0	111.8	Y155 L156 C159 G162 N163 I164 D165 N170 L171	Y155-K167 HydrophobicContact CD1-CD 4.19Å; Y155-K167 HydrophobicContact CD1-CG 4.24Å; Y155-K167 HydrophobicContact CE1-CD 3.98Å; Y155-K167 HydrophobicContact CE1-CG 4.09Å; L156-K167 HydrophobicContact CD1-CB 3.79Å; C159-K167 HydrophobicContact CB-CD 4.25Å; C159-K167 WeakPolarHBondContact SG-CD 3.35Å; C159-K167 PolarHBondContact SG-NZ 3.11Å; G162-K167 PolarHBondContact O-NZ 2.88Å; N163-K167 WeakPolarHBondContact O-CG 3.46Å; N163-K167 PolarHBondContact O-N 3.28Å; I164-K167 PolarHBondContact O-N 3.02Å; D165-K167 VanDerWaalsContact C-N 3.32Å; D165-K167 PolarHBondContact O-N 3.29Å; K167-N170 PolarHBondContact O-N 3.28Å; K167-L171 PolarHBondContact O-N 3.19Å
168	N	81.5	Confident	79.3	Confident	58 Å²	58	84.3 Å²	84.3	31%	0.31	44%	0.442	S	S	.	.	H	α-helix	trans	-60.4	-45.1	170.8	-82.2	-31.2	0	0	0	111	L156 I164 D165 N170 L171 D172	L156-N168 WeakPolarHBondContact CD1-OD1 3.24Å; I164-N168 WeakPolarHBondContact CG2-ND2 2.83Å; I164-N168 WeakPolarHBondContact O-CB 3.49Å; I164-N168 PolarHBondContact O-N 3.08Å; I164-N168 PolarHBondContact O-ND2 3.18Å; D165-N168 PolarHBondContact O-N 2.94Å; N168-N170 VanDerWaalsContact C-N 3.29Å; N168-N170 PolarHBondContact O-N 2.85Å; N168-L171 WeakPolarHBondContact O-CB 3.36Å; N168-L171 PolarHBondContact O-N 3.34Å; N168-L171 VanDerWaalsContact O-N 3.15Å; N168-D172 PolarHBondContact O-N 3.41Å
169	A	86.1	Confident	79.9	Confident	59 Å²	59	80.6 Å²	80.6	49%	0.488	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-38.4	175.8	0	0	0	0	0	112.5	D165 K173	D165-A169 WeakPolarHBondContact O-CB 3.37Å; D165-A169 PolarHBondContact O-N 2.87Å; A169-K173 WeakPolarHBondContact O-CB 3.22Å; A169-K173 PolarHBondContact O-N 2.98Å
170	N	85.7	Confident	81	Confident	82 Å²	82	84.3 Å²	84.3	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-42.4	174.5	-171.6	55.4	0	0	0	112.1	Q166 K167 N168 K173 C174	Q166-N170 PolarHBondContact O-N 2.89Å; Q166-N170 VanDerWaalsContact O-N 3.07Å; K167-N170 PolarHBondContact O-N 3.28Å; N168-N170 VanDerWaalsContact C-N 3.29Å; N168-N170 PolarHBondContact O-N 2.85Å; N170-K173 PolarHBondContact O-N 3.36Å; N170-C174 PolarHBondContact O-N 3.42Å
171	L	84.4	Confident	82.4	Confident	24 Å²	24	77.7 Å²	77.7	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-60	-47	176	178.9	65.3	0	0	0	111.6	Y149 A152 C153 L156 K167 N168 K173 C174 K175	Y149-L171 HydrophobicContact CD2-CD1 3.91Å; Y149-L171 HydrophobicContact CE2-CD1 3.39Å; Y149-L171 HydrophobicContact CE2-CG 4.18Å; A152-L171 HydrophobicContact CB-CD1 3.91Å; C153-L171 HydrophobicContact CB-CD1 4.42Å; C153-L171 WeakPolarHBondContact SG-CD1 3.42Å; L156-L171 HydrophobicContact CD1-CD2 4.42Å; L156-L171 HydrophobicContact CD2-CD2 4.3Å; K167-L171 PolarHBondContact O-N 3.19Å; N168-L171 WeakPolarHBondContact O-CB 3.36Å; N168-L171 PolarHBondContact O-N 3.34Å; N168-L171 VanDerWaalsContact O-N 3.15Å; L171-K173 VanDerWaalsContact C-N 3.32Å; L171-K173 PolarHBondContact O-N 3.48Å; L171-C174 PolarHBondContact O-N 2.97Å; L171-K175 WeakPolarHBondContact O-CB 3.5Å; L171-K175 PolarHBondContact O-N 3.15Å
172	D	86.7	Confident	83.8	Confident	98 Å²	98	69.4 Å²	69.4	52%	0.524	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-39.6	178.1	-76.6	-26.8	0	0	0	111.7	N168 K175 E176	N168-D172 PolarHBondContact O-N 3.41Å; D172-K175 WeakPolarHBondContact O-CB 3.34Å; D172-K175 PolarHBondContact O-N 3.38Å; D172-E176 WeakPolarHBondContact O-CB 3.29Å; D172-E176 PolarHBondContact O-N 2.99Å
173	K	90.1	Very high	85.1	Confident	131 Å²	131	70.3 Å²	70.3	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-65.4	-44.6	175.1	-172.1	178.6	-178.7	-179.2	0	112.4	A169 N170 L171 K175 E176 N177	A169-K173 WeakPolarHBondContact O-CB 3.22Å; A169-K173 PolarHBondContact O-N 2.98Å; N170-K173 PolarHBondContact O-N 3.36Å; L171-K173 VanDerWaalsContact C-N 3.32Å; L171-K173 PolarHBondContact O-N 3.48Å; K173-K175 VanDerWaalsContact C-N 3.28Å; K173-K175 PolarHBondContact O-N 3.33Å; K173-E176 PolarHBondContact O-N 2.68Å; K173-N177 VanDerWaalsContact O-CG 3.31Å; K173-N177 PolarHBondContact O-N 3.28Å; K173-N177 PolarHBondContact O-ND2 2.85Å
174	C	86.4	Confident	86	Confident	18 Å²	18	67.8 Å²	67.8	12%	0.122	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-40	175.2	-74.1	0	0	0	0	111.2	Y149 A152 N170 L171 N177 F178	Y149-C174 HydrophobicContact CD2-CB 4Å; A152-C174 HydrophobicContact CB-CB 4.35Å; N170-C174 PolarHBondContact O-N 3.42Å; L171-C174 PolarHBondContact O-N 2.97Å; C174-N177 PolarHBondContact O-N 3.08Å; C174-F178 WeakPolarHBondContact O-CB 3.41Å; C174-F178 PolarHBondContact O-N 3.15Å
175	K	86.4	Confident	86.7	Confident	56 Å²	56	63.1 Å²	63.1	24%	0.243	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-47.3	175.9	-170.6	-179.8	173.9	-176.8	0	111.9	Y149 L171 D172 K173 N177 F178 E179	Y149-K175 HydrophobicContact CD2-CB 3.92Å; Y149-K175 HydrophobicContact CE2-CB 3.57Å; Y149-K175 HydrophobicContact CE2-CD 4.46Å; Y149-K175 HydrophobicContact CE2-CG 4Å; L171-K175 WeakPolarHBondContact O-CB 3.5Å; L171-K175 PolarHBondContact O-N 3.15Å; D172-K175 WeakPolarHBondContact O-CB 3.34Å; D172-K175 PolarHBondContact O-N 3.38Å; K173-K175 VanDerWaalsContact C-N 3.28Å; K173-K175 PolarHBondContact O-N 3.33Å; K175-N177 VanDerWaalsContact C-N 3.33Å; K175-N177 PolarHBondContact O-N 3.39Å; K175-F178 PolarHBondContact O-N 3.13Å; K175-E179 VanDerWaalsContact CE-OE1 3.23Å; K175-E179 WeakPolarHBondContact CE-OE1 3.29Å; K175-E179 WeakPolarHBondContact O-CG 3.29Å; K175-E179 PolarHBondContact O-N 2.72Å
176	E	90.4	Very high	87.1	Confident	97 Å²	97	58.5 Å²	58.5	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-42.6	178.6	-170.7	-172.4	173.8	0	0	111.3	D172 K173 E179 K180	D172-E176 WeakPolarHBondContact O-CB 3.29Å; D172-E176 PolarHBondContact O-N 2.99Å; K173-E176 PolarHBondContact O-N 2.68Å; E176-E179 PolarHBondContact O-N 2.89Å; E176-K180 HydrophobicContact CG-CD 4.33Å; E176-K180 WeakPolarHBondContact O-CB 2.82Å; E176-K180 WeakPolarHBondContact O-CG 2.66Å; E176-K180 PolarHBondContact O-N 2.98Å; E176-K180 WeakPolarHBondContact OE1-CE 3.36Å; E176-K180 IonicContact OE1-NZ 3.85Å; E176-K180 PolarHBondContact OE1-NZ 3.48Å
177	N	90	Very high	87.7	Confident	60 Å²	60	54.9 Å²	54.9	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-41.4	176.2	-71.6	-19.5	0	0	0	112.2	M145 K173 C174 K175 Q181	M145-N177 HydrophobicContact SD-CB 4Å; K173-N177 VanDerWaalsContact O-CG 3.31Å; K173-N177 PolarHBondContact O-N 3.28Å; K173-N177 PolarHBondContact O-ND2 2.85Å; C174-N177 PolarHBondContact O-N 3.08Å; K175-N177 VanDerWaalsContact C-N 3.33Å; K175-N177 PolarHBondContact O-N 3.39Å; N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 PolarHBondContact O-N 2.57Å
178	F	85.3	Confident	88.4	Confident	17 Å²	17	54 Å²	54	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-45.3	175.8	179.1	-107.6	0	0	0	111.8	V10 Y22 L142 M145 R146 C174 K175 Q181 A182	V10-F178 HydrophobicContact CG1-CE1 4.45Å; V10-F178 HydrophobicContact CG2-CE1 4.24Å; Y22-F178 HydrophobicContact CE1-CE2 4.37Å; Y22-F178 HydrophobicContact CE1-CZ 4.32Å; L142-F178 HydrophobicContact CD1-CD2 3.59Å; L142-F178 HydrophobicContact CD1-CE2 3.37Å; L142-F178 HydrophobicContact CD1-CZ 4.23Å; L142-F178 HydrophobicContact CG-CD2 4.42Å; L142-F178 HydrophobicContact CG-CE2 3.87Å; M145-F178 HydrophobicContact CB-CB 4.35Å; M145-F178 HydrophobicContact CB-CD2 4.27Å; R146-F178 HydrophobicContact CB-CD2 3.89Å; R146-F178 HydrophobicContact CB-CE2 3.57Å; R146-F178 HydrophobicContact CB-CZ 4.43Å; R146-F178 HydrophobicContact CG-CE2 3.97Å; R146-F178 HydrophobicContact CG-CZ 4.37Å; C174-F178 WeakPolarHBondContact O-CB 3.41Å; C174-F178 PolarHBondContact O-N 3.15Å; K175-F178 PolarHBondContact O-N 3.13Å; F178-Q181 PolarHBondContact O-N 2.84Å; F178-A182 WeakPolarHBondContact O-CB 3.21Å; F178-A182 PolarHBondContact O-N 2.99Å
179	E	87	Confident	89	Confident	37 Å²	37	51.2 Å²	51.2	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-47.3	175.8	-74.5	-173.3	-166.8	0	0	111	R7 K175 E176 Q181 A182 D183	R7-E179 IonicContact CZ-OE2 3.71Å; R7-E179 IonicContact NE-OE2 3.54Å; R7-E179 PolarHBondContact NE-OE2 3.04Å; R7-E179 IonicContact NH2-OE2 3.31Å; R7-E179 PolarHBondContact NH2-OE2 3.25Å; K175-E179 VanDerWaalsContact CE-OE1 3.23Å; K175-E179 WeakPolarHBondContact CE-OE1 3.29Å; K175-E179 WeakPolarHBondContact O-CG 3.29Å; K175-E179 PolarHBondContact O-N 2.72Å; E176-E179 PolarHBondContact O-N 2.89Å; E179-Q181 VanDerWaalsContact C-N 3.35Å; E179-Q181 PolarHBondContact O-N 3.07Å; E179-A182 WeakPolarHBondContact O-CB 3.2Å; E179-A182 PolarHBondContact O-N 3.5Å; E179-D183 PolarHBondContact O-N 3.41Å
180	K	91.2	Very high	89.3	Confident	110 Å²	110	52.7 Å²	52.7	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-43.2	177	-75.6	175.5	-177.3	168.4	0	112.6	E176 A182 D183 V184	E176-K180 HydrophobicContact CG-CD 4.33Å; E176-K180 WeakPolarHBondContact O-CB 2.82Å; E176-K180 WeakPolarHBondContact O-CG 2.66Å; E176-K180 PolarHBondContact O-N 2.98Å; E176-K180 WeakPolarHBondContact OE1-CE 3.36Å; E176-K180 IonicContact OE1-NZ 3.85Å; E176-K180 PolarHBondContact OE1-NZ 3.48Å; K180-A182 VanDerWaalsContact C-N 3.35Å; K180-D183 PolarHBondContact O-N 3.17Å; K180-V184 WeakPolarHBondContact O-CG2 2.97Å; K180-V184 PolarHBondContact O-N 3.13Å; K180-V184 VanDerWaalsContact O-N 3.15Å
181	Q	90.6	Very high	89.6	Confident	29 Å²	29	52.8 Å²	52.8	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-34.8	179.2	-172.1	60.1	29.9	0	0	111.9	E138 N141 L142 M145 N177 F178 E179 D183 V184 I185	E138-Q181 PolarHBondContact O-NE2 3.07Å; E138-Q181 VanDerWaalsContact O-NE2 3.17Å; E138-Q181 PolarHBondContact OE2-NE2 2.91Å; N141-Q181 HydrophobicContact CB-CG 4.38Å; L142-Q181 HydrophobicContact CB-CG 3.88Å; L142-Q181 HydrophobicContact CD1-CB 3.94Å; L142-Q181 HydrophobicContact CD1-CG 3.87Å; M145-Q181 HydrophobicContact CG-CB 4.4Å; N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 PolarHBondContact O-N 2.57Å; F178-Q181 PolarHBondContact O-N 2.84Å; E179-Q181 VanDerWaalsContact C-N 3.35Å; E179-Q181 PolarHBondContact O-N 3.07Å; Q181-D183 VanDerWaalsContact C-N 3.31Å; Q181-V184 PolarHBondContact O-N 2.85Å; Q181-I185 PolarHBondContact O-N 3.49Å; Q181-I185 VanDerWaalsContact O-N 3.15Å
182	A	88	Confident	90	Very high	12 Å²	12	52.3 Å²	52.3	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-39.7	173.8	0	0	0	0	0	111	L142 F178 E179 K180 I185 Q186	L142-A182 HydrophobicContact CD1-CB 4.05Å; F178-A182 WeakPolarHBondContact O-CB 3.21Å; F178-A182 PolarHBondContact O-N 2.99Å; E179-A182 WeakPolarHBondContact O-CB 3.2Å; E179-A182 PolarHBondContact O-N 3.5Å; K180-A182 VanDerWaalsContact C-N 3.35Å; A182-I185 PolarHBondContact O-N 3.46Å; A182-Q186 WeakPolarHBondContact O-CB 3.46Å; A182-Q186 PolarHBondContact O-N 3.46Å
183	D	89.4	Confident	90.4	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-39.9	177	-69.6	-8.1	0	0	0	112	Y3 E179 K180 Q181 Q186 S187	Y3-D183 WeakPolarHBondContact CE2-OD1 3.27Å; Y3-D183 PolarHBondContact OH-OD2 3.35Å; E179-D183 PolarHBondContact O-N 3.41Å; K180-D183 PolarHBondContact O-N 3.17Å; Q181-D183 VanDerWaalsContact C-N 3.31Å; D183-Q186 PolarHBondContact O-N 2.85Å; D183-S187 PolarHBondContact O-N 3.01Å
184	V	92.5	Very high	90.6	Very high	61 Å²	61	51.5 Å²	51.5	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-52.9	174.3	171.8	0	0	0	0	110.6	E138 K180 Q181 Q186 S187 L188	E138-V184 HydrophobicContact CG-CG1 4.23Å; K180-V184 WeakPolarHBondContact O-CG2 2.97Å; K180-V184 PolarHBondContact O-N 3.13Å; K180-V184 VanDerWaalsContact O-N 3.15Å; Q181-V184 PolarHBondContact O-N 2.85Å; V184-Q186 VanDerWaalsContact C-N 3.32Å; V184-Q186 PolarHBondContact O-N 3.13Å; V184-S187 PolarHBondContact O-N 3.5Å; V184-S187 PolarHBondContact O-OG 3.01Å; V184-L188 PolarHBondContact O-N 3.48Å
185	I	91.4	Very high	91	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-41.4	178.8	-68.4	-175.8	0	0	0	111.1	F26 E138 K139 L142 Q181 A182 S187 L188 L189	F26-I185 HydrophobicContact CE2-CB 4.3Å; F26-I185 HydrophobicContact CE2-CG2 3.47Å; F26-I185 VanDerWaalsContact CE2-CG2 3.47Å; F26-I185 HydrophobicContact CZ-CD1 4.31Å; F26-I185 HydrophobicContact CZ-CG2 3.72Å; E138-I185 VanDerWaalsContact C-CD1 3.42Å; E138-I185 HydrophobicContact CB-CD1 4.19Å; E138-I185 HydrophobicContact CB-CG1 3.71Å; E138-I185 WeakPolarHBondContact O-CD1 3.38Å; K139-I185 HydrophobicContact CB-CD1 4.06Å; L142-I185 HydrophobicContact CB-CD1 3.64Å; L142-I185 HydrophobicContact CD2-CD1 3.74Å; L142-I185 HydrophobicContact CG-CD1 4.28Å; Q181-I185 PolarHBondContact O-N 3.49Å; Q181-I185 VanDerWaalsContact O-N 3.15Å; A182-I185 PolarHBondContact O-N 3.46Å; I185-S187 PolarHBondContact O-N 3.06Å; I185-L188 WeakPolarHBondContact O-CA 3.39Å; I185-L188 WeakPolarHBondContact O-CB 3.42Å; I185-L188 PolarHBondContact O-N 3.35Å; I185-L189 HydrophobicContact CG2-CD1 3.75Å; I185-L189 HydrophobicContact CG2-CG 3.79Å; I185-L189 WeakPolarHBondContact O-CG 3.23Å; I185-L189 PolarHBondContact O-N 3.21Å
186	Q	88.5	Confident	91.4	Very high	42 Å²	42	52.6 Å²	52.6	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-42.9	179.7	-170.9	57.2	58.3	0	0	110.7	A182 D183 V184 L188 L189 D190	A182-Q186 WeakPolarHBondContact O-CB 3.46Å; A182-Q186 PolarHBondContact O-N 3.46Å; D183-Q186 PolarHBondContact O-N 2.85Å; V184-Q186 VanDerWaalsContact C-N 3.32Å; V184-Q186 PolarHBondContact O-N 3.13Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 2.92Å; Q186-L189 PolarHBondContact O-N 3.22Å; Q186-D190 PolarHBondContact NE2-OD1 2.86Å; Q186-D190 WeakPolarHBondContact O-CB 3.49Å; Q186-D190 PolarHBondContact O-N 3.39Å
187	S	92.2	Very high	91.7	Very high	63 Å²	63	54.7 Å²	54.7	44%	0.441	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-32.8	175.8	79.4	0	0	0	0	113.5	D183 V184 I185	D183-S187 PolarHBondContact O-N 3.01Å; V184-S187 PolarHBondContact O-N 3.5Å; V184-S187 PolarHBondContact O-OG 3.01Å; I185-S187 PolarHBondContact O-N 3.06Å
188	L	93.5	Very high	92	Very high	13 Å²	13	54 Å²	54	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-74.5	-42	174.4	-64.2	174.1	0	0	0	111.5	L134 I135 E138 V184 I185 Q186 D190 K191	L134-L188 HydrophobicContact CD2-CD1 4.38Å; L134-L188 HydrophobicContact CD2-CD2 4.12Å; L134-L188 HydrophobicContact CG-CD1 4.21Å; I135-L188 HydrophobicContact CD1-CB 4.21Å; I135-L188 HydrophobicContact CG1-CB 3.88Å; I135-L188 HydrophobicContact CG1-CD1 4.04Å; I135-L188 HydrophobicContact CG1-CG 4.49Å; E138-L188 HydrophobicContact CB-CD1 4.3Å; E138-L188 HydrophobicContact CG-CD1 3.94Å; V184-L188 PolarHBondContact O-N 3.48Å; I185-L188 WeakPolarHBondContact O-CA 3.39Å; I185-L188 WeakPolarHBondContact O-CB 3.42Å; I185-L188 PolarHBondContact O-N 3.35Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 2.92Å; L188-D190 PolarHBondContact O-N 3.42Å; L188-K191 WeakPolarHBondContact O-CB 3.48Å; L188-K191 PolarHBondContact O-N 2.88Å; L188-K191 VanDerWaalsContact O-N 3.15Å
189	L	92.5	Very high	92.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-24.7	176.7	-68	-176.3	0	0	0	112.6	F26 K29 L30 I33 I135 I185 Q186 K191 L192	F26-L189 HydrophobicContact CD2-CD1 3.56Å; F26-L189 HydrophobicContact CE2-CD1 3.55Å; F26-L189 HydrophobicContact CZ-CD1 4.46Å; K29-L189 HydrophobicContact CB-CD1 4.15Å; K29-L189 HydrophobicContact CB-CD2 4.33Å; K29-L189 HydrophobicContact CD-CB 4.17Å; K29-L189 HydrophobicContact CD-CD1 4.4Å; L30-L189 HydrophobicContact CD2-CD2 4.07Å; L30-L189 HydrophobicContact CG-CD1 4.49Å; I33-L189 HydrophobicContact CD1-CD2 3.36Å; I33-L189 HydrophobicContact CG1-CD2 4.45Å; I135-L189 HydrophobicContact CG2-CD2 4.35Å; I185-L189 HydrophobicContact CG2-CD1 3.75Å; I185-L189 HydrophobicContact CG2-CG 3.79Å; I185-L189 WeakPolarHBondContact O-CG 3.23Å; I185-L189 PolarHBondContact O-N 3.21Å; Q186-L189 PolarHBondContact O-N 3.22Å; L189-K191 PolarHBondContact O-N 3.34Å; L189-L192 WeakPolarHBondContact O-CB 2.95Å; L189-L192 PolarHBondContact O-N 3Å
190	D	92	Very high	93	Very high	90 Å²	90	55.5 Å²	55.5	48%	0.481	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.8	175.8	-69.8	-18.2	0	0	0	112.5	K29 Q186 L188 L192 P193	K29-D190 IonicContact NZ-OD1 2.78Å; K29-D190 PolarHBondContact NZ-OD1 3.21Å; Q186-D190 PolarHBondContact NE2-OD1 2.86Å; Q186-D190 WeakPolarHBondContact O-CB 3.49Å; Q186-D190 PolarHBondContact O-N 3.39Å; L188-D190 PolarHBondContact O-N 3.42Å; D190-L192 PolarHBondContact O-N 3.44Å; D190-P193 VanDerWaalsContact O-CD 3.3Å; D190-P193 WeakPolarHBondContact O-CD 3.35Å
191	K	93.2	Very high	93.3	Very high	84 Å²	84	53.7 Å²	53.7	37%	0.365	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.8	170.3	-60.4	179.6	-177.8	178.3	0	113.7	L188 L189 P193 E194 Y195	L188-K191 WeakPolarHBondContact O-CB 3.48Å; L188-K191 PolarHBondContact O-N 2.88Å; L188-K191 VanDerWaalsContact O-N 3.15Å; L189-K191 PolarHBondContact O-N 3.34Å; K191-P193 VanDerWaalsContact C-CD 3.45Å; K191-P193 VanDerWaalsContact C-N 3.34Å; K191-E194 WeakPolarHBondContact O-CA 3.47Å; K191-E194 VanDerWaalsContact O-CB 3.3Å; K191-E194 WeakPolarHBondContact O-CB 3.32Å; K191-E194 PolarHBondContact O-N 3.3Å; K191-Y195 HydrophobicContact CB-CD2 4.42Å; K191-Y195 HydrophobicContact CB-CE2 3.81Å; K191-Y195 WeakPolarHBondContact O-CD2 3.47Å; K191-Y195 PolarHBondContact O-N 3.47Å; K191-Y195 VanDerWaalsContact O-N 3.09Å
192	L	92.4	Very high	93.7	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-50.4	-44.8	-179.4	-174.1	126	0	0	0	113.9	Q32 I33 L189 D190 E194 Y195 E196	Q32-L192 HydrophobicContact CB-CD1 4.46Å; Q32-L192 HydrophobicContact CG-CD1 4.25Å; I33-L192 HydrophobicContact CD1-CD1 3.92Å; I33-L192 HydrophobicContact CG1-CD1 3.43Å; I33-L192 VanDerWaalsContact CG1-CD1 3.43Å; L189-L192 WeakPolarHBondContact O-CB 2.95Å; L189-L192 PolarHBondContact O-N 3Å; D190-L192 PolarHBondContact O-N 3.44Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.84Å; L192-Y195 PolarHBondContact O-N 2.86Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; L192-E196 WeakPolarHBondContact CD2-OE1 3.33Å; L192-E196 WeakPolarHBondContact O-CG 3.45Å; L192-E196 PolarHBondContact O-N 3.22Å
193	P	94.5	Very high	94.1	Very high	79 Å²	79	53.5 Å²	53.5	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-31	175.6	-22.1	35.1	0	0	0	113.7	D190 K191 K197	D190-P193 VanDerWaalsContact O-CD 3.3Å; D190-P193 WeakPolarHBondContact O-CD 3.35Å; K191-P193 VanDerWaalsContact C-CD 3.45Å; K191-P193 VanDerWaalsContact C-N 3.34Å; P193-K197 WeakPolarHBondContact O-CB 3.44Å; P193-K197 PolarHBondContact O-N 2.7Å
194	E	95.7	Very high	94.4	Very high	132 Å²	132	59 Å²	59	62%	0.617	31%	0.308	S	S	*	.	H	α-helix	trans	-69.6	-39.4	176.2	-57.9	-179.5	179.8	0	0	110.9	K191 L192 K197 S198	K191-E194 WeakPolarHBondContact O-CA 3.47Å; K191-E194 VanDerWaalsContact O-CB 3.3Å; K191-E194 WeakPolarHBondContact O-CB 3.32Å; K191-E194 PolarHBondContact O-N 3.3Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.84Å; E194-K197 PolarHBondContact O-N 3.06Å; E194-S198 WeakPolarHBondContact O-CB 3.38Å; E194-S198 PolarHBondContact O-N 3.18Å
195	Y	94.5	Very high	94.7	Very high	18 Å²	18	59.7 Å²	59.7	7%	0.071	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-46.3	174.3	-59.5	-41.8	0	0	0	111.6	F127 D131 I135 K191 L192 K197 S198 I199	F127-Y195 AromaticContact CD2-CD1 3.78Å; F127-Y195 HydrophobicContact CD2-CD1 3.78Å; F127-Y195 HydrophobicContact CD2-CD2 4.2Å; F127-Y195 HydrophobicContact CD2-CE1 4.35Å; F127-Y195 AromaticContact CD2-CG 3.71Å; F127-Y195 HydrophobicContact CD2-CG 3.71Å; F127-Y195 HydrophobicContact CE2-CD1 4.28Å; F127-Y195 AromaticContact CE2-CD2 3.87Å; F127-Y195 HydrophobicContact CE2-CD2 3.87Å; F127-Y195 AromaticContact CE2-CG 3.74Å; F127-Y195 HydrophobicContact CE2-CG 3.74Å; D131-Y195 HydrophobicContact CB-CE1 3.73Å; D131-Y195 WeakPolarHBondContact CB-OH 3.43Å; D131-Y195 PolarHBondContact OD1-OH 3.3Å; D131-Y195 WeakPolarHBondContact OD2-CE1 3.5Å; I135-Y195 HydrophobicContact CD1-CE2 4.12Å; K191-Y195 HydrophobicContact CB-CD2 4.42Å; K191-Y195 HydrophobicContact CB-CE2 3.81Å; K191-Y195 WeakPolarHBondContact O-CD2 3.47Å; K191-Y195 PolarHBondContact O-N 3.47Å; K191-Y195 VanDerWaalsContact O-N 3.09Å; L192-Y195 PolarHBondContact O-N 2.86Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; Y195-K197 VanDerWaalsContact C-N 3.3Å; Y195-K197 PolarHBondContact O-N 3.1Å; Y195-S198 PolarHBondContact O-N 3.12Å; Y195-I199 WeakPolarHBondContact O-CD1 3.37Å; Y195-I199 VanDerWaalsContact O-CG1 3.27Å; Y195-I199 WeakPolarHBondContact O-CG1 3.46Å; Y195-I199 PolarHBondContact O-N 3.31Å
196	E	95.4	Very high	94.9	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-56.9	-45.2	175.6	-70	176.6	163.9	0	0	111.5	Q32 M36 L192 I199 A200	Q32-E196 PolarHBondContact NE2-OE1 3.24Å; M36-E196 HydrophobicContact CE-CG 3.63Å; M36-E196 HydrophobicContact SD-CG 4.17Å; L192-E196 WeakPolarHBondContact CD2-OE1 3.33Å; L192-E196 WeakPolarHBondContact O-CG 3.45Å; L192-E196 PolarHBondContact O-N 3.22Å; E196-I199 PolarHBondContact O-N 2.96Å; E196-A200 WeakPolarHBondContact O-CB 3.15Å; E196-A200 PolarHBondContact O-N 3.28Å
197	K	96.7	Very high	95.3	Very high	141 Å²	141	64 Å²	64	61%	0.613	33%	0.33	S	S	*	.	H	α-helix	trans	-63.3	-45.1	176.7	-173.7	178.5	178.6	-176.2	0	112.1	P193 E194 Y195 I199 A200 D201	P193-K197 WeakPolarHBondContact O-CB 3.44Å; P193-K197 PolarHBondContact O-N 2.7Å; E194-K197 PolarHBondContact O-N 3.06Å; Y195-K197 VanDerWaalsContact C-N 3.3Å; Y195-K197 PolarHBondContact O-N 3.1Å; K197-I199 VanDerWaalsContact C-N 3.33Å; K197-I199 PolarHBondContact O-N 3.09Å; K197-A200 PolarHBondContact O-N 2.93Å; K197-D201 WeakPolarHBondContact O-CB 3.43Å; K197-D201 PolarHBondContact O-N 3.46Å
198	S	96.1	Very high	95.5	Very high	45 Å²	45	67.4 Å²	67.4	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-42.7	178.1	-174.3	0	0	0	0	111.9	E194 Y195 D201 A202	E194-S198 WeakPolarHBondContact O-CB 3.38Å; E194-S198 PolarHBondContact O-N 3.18Å; Y195-S198 PolarHBondContact O-N 3.12Å; S198-D201 PolarHBondContact O-N 3.25Å; S198-A202 VanDerWaalsContact O-CB 3.3Å; S198-A202 WeakPolarHBondContact O-CB 3.49Å; S198-A202 PolarHBondContact O-N 3.41Å
199	I	96.3	Very high	95.6	Very high	26 Å²	26	67 Å²	67	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-43.9	176.8	-66.5	158.7	0	0	0	111.1	M36 V40 L124 F127 Y195 E196 K197 S203	M36-I199 HydrophobicContact CE-CD1 3.46Å; M36-I199 VanDerWaalsContact CE-CD1 3.46Å; V40-I199 HydrophobicContact CG2-CD1 3.52Å; V40-I199 HydrophobicContact CG2-CG1 3.81Å; V40-I199 HydrophobicContact CG2-CG2 4.1Å; L124-I199 HydrophobicContact CD2-CB 4.18Å; L124-I199 HydrophobicContact CD2-CG1 3.95Å; L124-I199 HydrophobicContact CD2-CG2 4.13Å; F127-I199 HydrophobicContact CD1-CD1 4.09Å; F127-I199 HydrophobicContact CE1-CD1 4.05Å; Y195-I199 WeakPolarHBondContact O-CD1 3.37Å; Y195-I199 VanDerWaalsContact O-CG1 3.27Å; Y195-I199 WeakPolarHBondContact O-CG1 3.46Å; Y195-I199 PolarHBondContact O-N 3.31Å; E196-I199 PolarHBondContact O-N 2.96Å; K197-I199 VanDerWaalsContact C-N 3.33Å; K197-I199 PolarHBondContact O-N 3.09Å; I199-S203 WeakPolarHBondContact O-CB 3.46Å; I199-S203 PolarHBondContact O-N 3.45Å; I199-S203 PolarHBondContact O-OG 3.02Å
200	A	97.1	Very high	95.7	Very high	60 Å²	60	68.4 Å²	68.4	50%	0.496	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-44.4	177.3	0	0	0	0	0	111.8	E196 K197 S203 R204	E196-A200 WeakPolarHBondContact O-CB 3.15Å; E196-A200 PolarHBondContact O-N 3.28Å; K197-A200 PolarHBondContact O-N 2.93Å; A200-S203 PolarHBondContact O-N 3.34Å; A200-R204 WeakPolarHBondContact O-CB 3.36Å; A200-R204 PolarHBondContact O-N 2.87Å
201	D	97.7	Very high	95.9	Very high	72 Å²	72	73 Å²	73	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-64.6	-45.5	178.2	-77.2	-25.3	0	0	0	111.2	K197 S198 S203 R204 Q205	K197-D201 WeakPolarHBondContact O-CB 3.43Å; K197-D201 PolarHBondContact O-N 3.46Å; S198-D201 PolarHBondContact O-N 3.25Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-S203 PolarHBondContact O-N 2.95Å; D201-R204 WeakPolarHBondContact O-CB 3.49Å; D201-R204 PolarHBondContact O-N 3.46Å; D201-R204 VanDerWaalsContact O-N 3.15Å; D201-Q205 VanDerWaalsContact O-CG 3.31Å; D201-Q205 WeakPolarHBondContact O-CG 3.45Å; D201-Q205 PolarHBondContact O-N 3.24Å
202	A	97.5	Very high	96.1	Very high	2 Å²	2	72.9 Å²	72.9	2%	0.017	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-44.7	175.6	0	0	0	0	0	112.2	P123 L124 S198 R204 Q205 F206	P123-A202 HydrophobicContact CB-CB 4.48Å; L124-A202 HydrophobicContact CD1-CB 4.18Å; L124-A202 HydrophobicContact CD2-CB 3.81Å; L124-A202 HydrophobicContact CG-CB 3.75Å; S198-A202 VanDerWaalsContact O-CB 3.3Å; S198-A202 WeakPolarHBondContact O-CB 3.49Å; S198-A202 PolarHBondContact O-N 3.41Å; A202-R204 VanDerWaalsContact C-N 3.31Å; A202-R204 PolarHBondContact O-N 3.37Å; A202-Q205 PolarHBondContact O-N 3.46Å; A202-F206 PolarHBondContact O-N 2.94Å
203	S	96.2	Very high	96.2	Very high	34 Å²	34	72.8 Å²	72.8	24%	0.238	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-39.6	176.8	-57.2	0	0	0	0	112	I199 A200 D201 L207	I199-S203 WeakPolarHBondContact O-CB 3.46Å; I199-S203 PolarHBondContact O-N 3.45Å; I199-S203 PolarHBondContact O-OG 3.02Å; A200-S203 PolarHBondContact O-N 3.34Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-S203 PolarHBondContact O-N 2.95Å; S203-L207 PolarHBondContact O-N 3.15Å
204	R	97.3	Very high	96.3	Very high	183 Å²	183	76.2 Å²	76.2	69%	0.691	36%	0.356	S	S	*	.	H	α-helix	trans	-67.4	-41.5	175.9	-172.4	-179.3	-169.3	169.4	5	112.1	A200 D201 A202 F206 L207 K208	A200-R204 WeakPolarHBondContact O-CB 3.36Å; A200-R204 PolarHBondContact O-N 2.87Å; D201-R204 WeakPolarHBondContact O-CB 3.49Å; D201-R204 PolarHBondContact O-N 3.46Å; D201-R204 VanDerWaalsContact O-N 3.15Å; A202-R204 VanDerWaalsContact C-N 3.31Å; A202-R204 PolarHBondContact O-N 3.37Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-L207 PolarHBondContact O-N 2.87Å; R204-K208 WeakPolarHBondContact O-CB 3.34Å; R204-K208 PolarHBondContact O-N 3.28Å
205	Q	97.2	Very high	96.4	Very high	75 Å²	75	73.9 Å²	73.9	35%	0.35	35%	0.351	S	S	.	.	H	α-helix	trans	-64.2	-38.8	178.1	-67.8	-61.9	-11.1	0	0	111.4	D201 A202 L207 K208 A209	D201-Q205 VanDerWaalsContact O-CG 3.31Å; D201-Q205 WeakPolarHBondContact O-CG 3.45Å; D201-Q205 PolarHBondContact O-N 3.24Å; A202-Q205 PolarHBondContact O-N 3.46Å; Q205-L207 PolarHBondContact O-N 2.95Å; Q205-K208 PolarHBondContact O-N 3.43Å; Q205-A209 WeakPolarHBondContact O-CB 3.3Å; Q205-A209 PolarHBondContact O-N 2.98Å
206	F	96.7	Very high	96.5	Very high	15 Å²	15	75.3 Å²	75.3	7%	0.066	36%	0.364	C	S	.	.	H	α-helix	trans	-55.7	-53	173.5	-175.1	-86.4	0	0	0	111.8	M47 M50 V51 V116 A120 A202 R204 K208 A209 D210	M47-F206 HydrophobicContact CB-CD2 4.11Å; M47-F206 HydrophobicContact CB-CE2 3.69Å; M47-F206 HydrophobicContact CB-CZ 4.14Å; M47-F206 HydrophobicContact CE-CB 3.91Å; M47-F206 HydrophobicContact CE-CD2 4.37Å; M47-F206 HydrophobicContact CE-CG 4.02Å; M47-F206 HydrophobicContact CG-CD1 4.44Å; M47-F206 HydrophobicContact CG-CD2 3.84Å; M47-F206 HydrophobicContact CG-CE1 4.42Å; M47-F206 HydrophobicContact CG-CE2 3.81Å; M47-F206 HydrophobicContact CG-CG 4.17Å; M47-F206 HydrophobicContact CG-CZ 4.12Å; M47-F206 HydrophobicContact SD-CB 4.39Å; M47-F206 HydrophobicContact SD-CD2 3.88Å; M47-F206 HydrophobicContact SD-CE2 4.41Å; M47-F206 HydrophobicContact SD-CG 4.15Å; M50-F206 HydrophobicContact CB-CZ 4.07Å; V51-F206 HydrophobicContact CG2-CE2 3.58Å; V51-F206 HydrophobicContact CG2-CZ 3.87Å; V116-F206 HydrophobicContact CB-CD2 4.49Å; V116-F206 HydrophobicContact CG1-CD2 3.68Å; V116-F206 HydrophobicContact CG1-CE2 3.8Å; V116-F206 HydrophobicContact CG2-CD2 3.98Å; V116-F206 HydrophobicContact CG2-CE2 4.21Å; A120-F206 HydrophobicContact CB-CB 4.12Å; A120-F206 HydrophobicContact CB-CD2 4.39Å; A202-F206 PolarHBondContact O-N 2.94Å; R204-F206 VanDerWaalsContact C-N 3.32Å; F206-K208 VanDerWaalsContact C-N 3.3Å; F206-K208 PolarHBondContact O-N 3.14Å; F206-A209 PolarHBondContact O-N 3.5Å; F206-D210 PolarHBondContact O-N 3.47Å
207	L	95.8	Very high	96.5	Very high	118 Å²	118	73.1 Å²	73.1	62%	0.618	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-37.1	179.4	-71.5	174.6	0	0	0	112.7	S203 R204 Q205 R211	S203-L207 PolarHBondContact O-N 3.15Å; R204-L207 PolarHBondContact O-N 2.87Å; Q205-L207 PolarHBondContact O-N 2.95Å; L207-R211 WeakPolarHBondContact O-CB 3.43Å; L207-R211 PolarHBondContact O-N 2.96Å
208	K	97.1	Very high	96.4	Very high	133 Å²	133	67.9 Å²	67.9	58%	0.578	34%	0.34	S	S	*	.	H	α-helix	trans	-64	-44.5	176.6	-173.8	-176.9	175.3	-171.6	0	111.1	R204 Q205 F206 R211 Q212	R204-K208 WeakPolarHBondContact O-CB 3.34Å; R204-K208 PolarHBondContact O-N 3.28Å; Q205-K208 PolarHBondContact O-N 3.43Å; F206-K208 VanDerWaalsContact C-N 3.3Å; F206-K208 PolarHBondContact O-N 3.14Å; K208-R211 PolarHBondContact O-N 3.44Å; K208-Q212 WeakPolarHBondContact O-CB 3.28Å; K208-Q212 PolarHBondContact O-N 3.39Å
209	A	95.8	Very high	96.4	Very high	4 Å²	4	69.5 Å²	69.5	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-45.3	178.2	0	0	0	0	0	111.4	F112 Q115 V116 Q205 F206 R211 Q212 L213	F112-A209 HydrophobicContact CD2-CB 3.76Å; F112-A209 HydrophobicContact CE2-CB 4.02Å; Q115-A209 HydrophobicContact CB-CB 4.18Å; V116-A209 HydrophobicContact CG2-CB 3.99Å; Q205-A209 WeakPolarHBondContact O-CB 3.3Å; Q205-A209 PolarHBondContact O-N 2.98Å; F206-A209 PolarHBondContact O-N 3.5Å; A209-R211 PolarHBondContact O-N 2.93Å; A209-Q212 PolarHBondContact O-N 3.41Å; A209-L213 PolarHBondContact O-N 3.09Å
210	D	95.2	Very high	96.3	Very high	30 Å²	30	68.4 Å²	68.4	16%	0.16	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-43.8	176.2	170.7	84.7	0	0	0	111.6	F112 F206 Q212 L213 R214	F112-D210 HydrophobicContact CE2-CB 4.04Å; F206-D210 PolarHBondContact O-N 3.47Å; D210-Q212 VanDerWaalsContact C-N 3.33Å; D210-Q212 PolarHBondContact O-N 3.09Å; D210-L213 WeakPolarHBondContact O-CB 3.43Å; D210-L213 PolarHBondContact O-N 2.64Å; D210-R214 WeakPolarHBondContact O-CG 3.2Å; D210-R214 PolarHBondContact O-N 2.88Å; D210-R214 IonicContact OD1-CZ 3.58Å; D210-R214 IonicContact OD1-NE 3.24Å; D210-R214 PolarHBondContact OD1-NE 3.44Å; D210-R214 IonicContact OD1-NH2 3.01Å; D210-R214 PolarHBondContact OD1-NH2 2.92Å; D210-R214 IonicContact OD2-CZ 3.45Å; D210-R214 IonicContact OD2-NE 2.78Å; D210-R214 PolarHBondContact OD2-NE 3.15Å; D210-R214 IonicContact OD2-NH2 3.32Å; D210-R214 PolarHBondContact OD2-NH2 3.34Å
211	R	96.2	Very high	96.3	Very high	187 Å²	187	69.6 Å²	69.6	71%	0.706	34%	0.341	S	S	*	.	H	α-helix	trans	-63.6	-39.8	176.5	-174.6	175.2	-180	171.8	1.1	112.3	L207 K208 A209 T215	L207-R211 WeakPolarHBondContact O-CB 3.43Å; L207-R211 PolarHBondContact O-N 2.96Å; K208-R211 PolarHBondContact O-N 3.44Å; A209-R211 PolarHBondContact O-N 2.93Å; R211-T215 WeakPolarHBondContact O-CB 3.44Å; R211-T215 PolarHBondContact O-N 2.93Å; R211-T215 VanDerWaalsContact O-N 3.09Å; R211-T215 PolarHBondContact O-OG1 3.32Å
212	Q	96.6	Very high	96.2	Very high	82 Å²	82	73 Å²	73	38%	0.383	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-46.4	176.7	-176.7	174.5	-4.7	0	0	110.6	K208 A209 D210 R214 T215 S216	K208-Q212 WeakPolarHBondContact O-CB 3.28Å; K208-Q212 PolarHBondContact O-N 3.39Å; A209-Q212 PolarHBondContact O-N 3.41Å; D210-Q212 VanDerWaalsContact C-N 3.33Å; D210-Q212 PolarHBondContact O-N 3.09Å; Q212-R214 PolarHBondContact O-N 3.3Å; Q212-T215 PolarHBondContact O-N 3.45Å; Q212-S216 PolarHBondContact O-N 3.29Å; Q212-S216 PolarHBondContact O-OG 2.91Å
213	L	95.3	Very high	96	Very high	13 Å²	13	77.1 Å²	77.1	7%	0.068	37%	0.37	C	S	.	.	H	α-helix	trans	-53.7	-54.3	175.3	175.3	65.3	0	0	0	111.5	A108 F109 F112 A209 D210 T215 S216 I217	A108-L213 HydrophobicContact CB-CD1 4.02Å; F109-L213 HydrophobicContact CB-CD1 4.47Å; F109-L213 HydrophobicContact CD1-CD1 4.05Å; F109-L213 HydrophobicContact CD1-CD2 3.85Å; F109-L213 HydrophobicContact CD2-CD1 4.2Å; F109-L213 HydrophobicContact CE1-CD1 4.35Å; F109-L213 HydrophobicContact CE1-CD2 3.63Å; F109-L213 HydrophobicContact CE1-CG 4.5Å; F109-L213 HydrophobicContact CE2-CD1 4.48Å; F109-L213 HydrophobicContact CG-CD1 3.98Å; F109-L213 HydrophobicContact CZ-CD2 4.2Å; F112-L213 HydrophobicContact CB-CB 4.12Å; F112-L213 HydrophobicContact CB-CD1 4.15Å; F112-L213 HydrophobicContact CB-CD2 4.16Å; F112-L213 HydrophobicContact CB-CG 4.37Å; F112-L213 HydrophobicContact CD1-CD2 3.65Å; F112-L213 HydrophobicContact CD2-CB 4.25Å; F112-L213 HydrophobicContact CD2-CD2 4.31Å; F112-L213 HydrophobicContact CE1-CD2 4Å; F112-L213 HydrophobicContact CG-CB 4.19Å; F112-L213 HydrophobicContact CG-CD2 3.79Å; F112-L213 HydrophobicContact CG-CG 4.43Å; A209-L213 PolarHBondContact O-N 3.09Å; D210-L213 WeakPolarHBondContact O-CB 3.43Å; D210-L213 PolarHBondContact O-N 2.64Å; L213-T215 PolarHBondContact O-N 3.07Å; L213-S216 PolarHBondContact O-N 3.41Å; L213-S216 VanDerWaalsContact O-N 3.14Å; L213-I217 HydrophobicContact CD1-CD1 3.78Å; L213-I217 HydrophobicContact CD1-CG1 4.16Å; L213-I217 HydrophobicContact CG-CD1 3.84Å; L213-I217 WeakPolarHBondContact O-CG1 3.45Å; L213-I217 PolarHBondContact O-N 3.41Å
214	R	95.8	Very high	95.6	Very high	151 Å²	151	77.5 Å²	77.5	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-58	-37.5	-179.9	-67.3	175.5	-165	-109.4	-7.2	112.4	D210 Q212 G218	D210-R214 WeakPolarHBondContact O-CG 3.2Å; D210-R214 PolarHBondContact O-N 2.88Å; D210-R214 IonicContact OD1-CZ 3.58Å; D210-R214 IonicContact OD1-NE 3.24Å; D210-R214 PolarHBondContact OD1-NE 3.44Å; D210-R214 IonicContact OD1-NH2 3.01Å; D210-R214 PolarHBondContact OD1-NH2 2.92Å; D210-R214 IonicContact OD2-CZ 3.45Å; D210-R214 IonicContact OD2-NE 2.78Å; D210-R214 PolarHBondContact OD2-NE 3.15Å; D210-R214 IonicContact OD2-NH2 3.32Å; D210-R214 PolarHBondContact OD2-NH2 3.34Å; Q212-R214 PolarHBondContact O-N 3.3Å; R214-G218 PolarHBondContact O-N 3.43Å
215	T	97.4	Very high	94.6	Very high	82 Å²	82	78 Å²	78	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-68.8	-43.4	178.3	-55.7	0	0	0	0	111.5	R211 Q212 L213 G218 T219	R211-T215 WeakPolarHBondContact O-CB 3.44Å; R211-T215 PolarHBondContact O-N 2.93Å; R211-T215 VanDerWaalsContact O-N 3.09Å; R211-T215 PolarHBondContact O-OG1 3.32Å; Q212-T215 PolarHBondContact O-N 3.45Å; L213-T215 PolarHBondContact O-N 3.07Å; T215-G218 PolarHBondContact O-N 3.02Å; T215-T219 WeakPolarHBondContact O-CB 3.44Å; T215-T219 PolarHBondContact O-N 3.46Å; T215-T219 PolarHBondContact O-OG1 2.82Å
216	S	96.3	Very high	92.7	Very high	49 Å²	49	87.5 Å²	87.5	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-48.7	176.2	-63.6	0	0	0	0	111.3	Q212 L213 G218 T219 A220	Q212-S216 PolarHBondContact O-N 3.29Å; Q212-S216 PolarHBondContact O-OG 2.91Å; L213-S216 PolarHBondContact O-N 3.41Å; L213-S216 VanDerWaalsContact O-N 3.14Å; S216-G218 PolarHBondContact O-N 3.01Å; S216-T219 WeakPolarHBondContact O-CB 3.4Å; S216-T219 PolarHBondContact O-N 3.5Å; S216-T219 VanDerWaalsContact O-N 3.11Å; S216-A220 PolarHBondContact O-N 3.46Å
217	I	95.7	Very high	92.5	Very high	34 Å²	34	91.1 Å²	91.1	17%	0.174	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-48.7	176.8	-65.4	172.4	0	0	0	110.6	I105 F109 L213 T219 A220 L221	I105-I217 HydrophobicContact CD1-CG2 4.31Å; I105-I217 HydrophobicContact CG1-CG1 4.35Å; I105-I217 HydrophobicContact CG1-CG2 4.37Å; I105-I217 HydrophobicContact CG2-CD1 4.49Å; I105-I217 HydrophobicContact CG2-CG1 4.17Å; F109-I217 HydrophobicContact CD2-CD1 4.3Å; F109-I217 HydrophobicContact CE2-CD1 3.58Å; F109-I217 HydrophobicContact CZ-CD1 3.87Å; L213-I217 HydrophobicContact CD1-CD1 3.78Å; L213-I217 HydrophobicContact CD1-CG1 4.16Å; L213-I217 HydrophobicContact CG-CD1 3.84Å; L213-I217 WeakPolarHBondContact O-CG1 3.45Å; L213-I217 PolarHBondContact O-N 3.41Å; I217-T219 PolarHBondContact O-N 3.41Å; I217-A220 PolarHBondContact O-N 2.89Å; I217-L221 HydrophobicContact CG2-CD1 3.81Å; I217-L221 HydrophobicContact CG2-CG 4.26Å; I217-L221 WeakPolarHBondContact O-CG 3.41Å; I217-L221 PolarHBondContact O-N 3.41Å
218	G	95.4	Very high	92.3	Very high	31 Å²	31	89.7 Å²	89.7	32%	0.32	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-29.3	178.6	0	0	0	0	0	113.5	R214 T215 S216 K222	R214-G218 PolarHBondContact O-N 3.43Å; T215-G218 PolarHBondContact O-N 3.02Å; S216-G218 PolarHBondContact O-N 3.01Å; G218-K222 VanDerWaalsContact O-CG 3.27Å; G218-K222 WeakPolarHBondContact O-CG 3.45Å; G218-K222 PolarHBondContact O-N 3.13Å
219	T	95.8	Very high	92	Very high	79 Å²	79	87.3 Å²	87.3	49%	0.485	41%	0.406	S	S	.	.	H	α-helix	trans	-76.6	-42.5	175.9	-56.9	0	0	0	0	111.5	T215 S216 I217 K222	T215-T219 WeakPolarHBondContact O-CB 3.44Å; T215-T219 PolarHBondContact O-N 3.46Å; T215-T219 PolarHBondContact O-OG1 2.82Å; S216-T219 WeakPolarHBondContact O-CB 3.4Å; S216-T219 PolarHBondContact O-N 3.5Å; S216-T219 VanDerWaalsContact O-N 3.11Å; I217-T219 PolarHBondContact O-N 3.41Å; T219-K222 PolarHBondContact O-N 3.21Å
220	A	95.2	Very high	91.8	Very high	3 Å²	3	92.2 Å²	92.2	3%	0.025	43%	0.428	C	S	.	.	H	α-helix	trans	-62	-48.2	176.7	0	0	0	0	0	111	V101 E104 I105 S216 I217 K222 K223	V101-A220 HydrophobicContact CG1-CB 4.03Å; E104-A220 HydrophobicContact CB-CB 4.28Å; I105-A220 HydrophobicContact CG1-CB 3.99Å; S216-A220 PolarHBondContact O-N 3.46Å; I217-A220 PolarHBondContact O-N 2.89Å; A220-K222 VanDerWaalsContact C-N 3.27Å; A220-K222 PolarHBondContact O-N 3.07Å; A220-K223 VanDerWaalsContact O-CB 3.27Å; A220-K223 WeakPolarHBondContact O-CB 3.29Å; A220-K223 WeakPolarHBondContact O-CG 3.33Å; A220-K223 PolarHBondContact O-N 3.06Å
221	L	95.3	Very high	91.6	Very high	84 Å²	84	96.1 Å²	96.1	44%	0.44	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-27.7	179.7	-69.8	176	0	0	0	114.1	V101 I105 I217 K223 I224	V101-L221 HydrophobicContact CG1-CD2 4.29Å; I105-L221 HydrophobicContact CD1-CD2 3.93Å; I105-L221 HydrophobicContact CD1-CG 4.17Å; I217-L221 HydrophobicContact CG2-CD1 3.81Å; I217-L221 HydrophobicContact CG2-CG 4.26Å; I217-L221 WeakPolarHBondContact O-CG 3.41Å; I217-L221 PolarHBondContact O-N 3.41Å; L221-K223 PolarHBondContact O-N 3.1Å; L221-I224 HydrophobicContact CD2-CD1 4.5Å; L221-I224 PolarHBondContact O-N 3.44Å
222	K	95.6	Very high	91.3	Very high	144 Å²	144	90 Å²	90	63%	0.626	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.3	175.4	-81.2	171	-175.9	177.7	0	113	G218 T219 A220 I224 K225	G218-K222 VanDerWaalsContact O-CG 3.27Å; G218-K222 WeakPolarHBondContact O-CG 3.45Å; G218-K222 PolarHBondContact O-N 3.13Å; T219-K222 PolarHBondContact O-N 3.21Å; A220-K222 VanDerWaalsContact C-N 3.27Å; A220-K222 PolarHBondContact O-N 3.07Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-K225 PolarHBondContact O-N 3.25Å
223	K	93.4	Very high	90.9	Very high	89 Å²	89	90.6 Å²	90.6	39%	0.387	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.2	177.2	-63.6	174.2	171.4	172.7	0	112.2	L97 V101 E104 A220 L221	L97-K223 HydrophobicContact CD1-CB 4.38Å; V101-K223 HydrophobicContact CG2-CB 4.05Å; V101-K223 HydrophobicContact CG2-CD 4.27Å; E104-K223 IonicContact OE1-NZ 2.64Å; E104-K223 PolarHBondContact OE1-NZ 3.28Å; E104-K223 IonicContact OE2-NZ 2.66Å; E104-K223 PolarHBondContact OE2-NZ 3.37Å; A220-K223 VanDerWaalsContact O-CB 3.27Å; A220-K223 WeakPolarHBondContact O-CB 3.29Å; A220-K223 WeakPolarHBondContact O-CG 3.33Å; A220-K223 PolarHBondContact O-N 3.06Å; L221-K223 PolarHBondContact O-N 3.1Å
224	I	89.5	Confident	90.6	Very high	42 Å²	42	96.5 Å²	96.5	22%	0.215	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.5	-179.2	-53.4	178.9	0	0	0	111.7	F94 I98 V101 L221 K222 R226	F94-I224 HydrophobicContact CE2-CG2 3.66Å; F94-I224 HydrophobicContact CZ-CG2 3.67Å; I98-I224 HydrophobicContact CG1-CD1 4.23Å; I98-I224 HydrophobicContact CG1-CG2 4.46Å; V101-I224 HydrophobicContact CB-CD1 3.9Å; V101-I224 HydrophobicContact CB-CG1 4.18Å; V101-I224 HydrophobicContact CG1-CD1 3.67Å; V101-I224 HydrophobicContact CG1-CG1 4.17Å; V101-I224 HydrophobicContact CG2-CD1 4.14Å; V101-I224 HydrophobicContact CG2-CG1 3.83Å; L221-I224 HydrophobicContact CD2-CD1 4.5Å; L221-I224 PolarHBondContact O-N 3.44Å; K222-I224 VanDerWaalsContact C-N 3.31Å; I224-R226 VanDerWaalsContact C-N 3.26Å; I224-R226 PolarHBondContact O-N 3Å
225	K	76.2	Confident	90.2	Very high	194 Å²	194	92 Å²	92	84%	0.843	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	6.7	-176	-79.3	-168.2	174.3	-174.1	0	114.9	K222	K222-K225 PolarHBondContact O-N 3.25Å
226	R	56.2	Low	89.5	Confident	273 Å²	273	92.9 Å²	92.9	100%	1.03	44%	0.444	S	S	*	.			trans	-112	0	-179.5	-70.4	-174.5	176.2	-172	-1.6	110.3	I224	I224-R226 VanDerWaalsContact C-N 3.26Å; I224-R226 PolarHBondContact O-N 3Å

Retrieved 226 of 226 residues in 78 ms (Link to these results)

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