A0A077ZE03_TRITR Loading...

Proteasome activator pa28 beta subunit family pro tein

AlphaFold DB , UniProt , Accession A0A077ZE03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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	49.3	Very low	69.3	Low	232 Å²	232	110.2 Å²	110.2	100%	1.143	62%	0.619	S	S	*	*				0	-12	0	-84.6	-177.2	-178.7	0	0	114.7
2	A	53.4	Low	71	Confident	80 Å²	80	111.9 Å²	111.9	66%	0.661	62%	0.615	S	S	*	*			trans	-74.3	-39.4	178.5	0	0	0	0	0	114.1	G4 K5	A2-G4 PolarHBondContact O-N 3.3Å; A2-K5 PolarHBondContact O-N 3.21Å
3	A	53.7	Low	72.2	Confident	72 Å²	72	109 Å²	109	60%	0.595	60%	0.598	S	S	*	*	H	α-helix	trans	-59.1	-39.1	-175.8	0	0	0	0	0	114.5	K5 D6 E7	A3-K5 VanDerWaalsContact C-N 3.31Å; A3-K5 PolarHBondContact O-N 3.33Å; A3-D6 PolarHBondContact O-N 3.35Å; A3-E7 PolarHBondContact O-N 3.18Å
4	G	58.8	Low	73.3	Confident	51 Å²	51	106.4 Å²	106.4	53%	0.526	58%	0.583	S	S	.	*	H	α-helix	trans	-72.2	-18.4	-179.3	0	0	0	0	0	114.9	A2	A2-G4 PolarHBondContact O-N 3.3Å
5	K	58.7	Low	74.3	Confident	171 Å²	171	106.7 Å²	106.7	74%	0.743	58%	0.579	S	S	*	*	H	α-helix	trans	-79.7	-37.2	173.2	-77.7	-173.7	177.1	-178.9	0	111.5	A2 A3 S8 A9	A2-K5 PolarHBondContact O-N 3.21Å; A3-K5 VanDerWaalsContact C-N 3.31Å; A3-K5 PolarHBondContact O-N 3.33Å; K5-S8 PolarHBondContact O-N 2.9Å; K5-A9 PolarHBondContact O-N 2.88Å
6	D	66	Low	75.1	Confident	109 Å²	109	107.3 Å²	107.3	58%	0.583	57%	0.57	S	S	*	*	H	α-helix	trans	-67.5	-43.4	177.4	-95.6	-15.1	0	0	0	111.9	A3 S8 A9 I10	A3-D6 PolarHBondContact O-N 3.35Å; D6-S8 VanDerWaalsContact C-N 3.29Å; D6-S8 PolarHBondContact O-N 2.74Å; D6-A9 PolarHBondContact O-N 3.2Å; D6-A9 VanDerWaalsContact O-N 3.12Å; D6-I10 VanDerWaalsContact O-CG1 3.3Å; D6-I10 WeakPolarHBondContact O-CG1 3.43Å; D6-I10 PolarHBondContact O-N 3.05Å
7	E	74.1	Confident	75.7	Confident	145 Å²	145	105.5 Å²	105.5	68%	0.678	56%	0.556	S	S	*	*	H	α-helix	trans	-59.8	-40.5	175.6	-75.8	180	168.9	0	0	112	A3 Y11	A3-E7 PolarHBondContact O-N 3.18Å; E7-Y11 WeakPolarHBondContact O-CB 3.15Å; E7-Y11 PolarHBondContact O-N 2.83Å
8	S	85.4	Confident	76.3	Confident	53 Å²	53	106.6 Å²	106.6	37%	0.371	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-37.3	175.3	-179.1	0	0	0	0	112.8	K5 D6 K12	K5-S8 PolarHBondContact O-N 2.9Å; D6-S8 VanDerWaalsContact C-N 3.29Å; D6-S8 PolarHBondContact O-N 2.74Å; S8-K12 WeakPolarHBondContact O-CG 3.36Å; S8-K12 PolarHBondContact O-N 3.27Å; S8-K12 VanDerWaalsContact O-N 3.12Å
9	A	88.1	Confident	77	Confident	52 Å²	52	103.7 Å²	103.7	43%	0.43	55%	0.548	S	S	.	.	H	α-helix	trans	-69.4	-43.8	178.2	0	0	0	0	0	111.8	K5 D6 Y11 K12 L13	K5-A9 PolarHBondContact O-N 2.88Å; D6-A9 PolarHBondContact O-N 3.2Å; D6-A9 VanDerWaalsContact O-N 3.12Å; A9-Y11 VanDerWaalsContact C-N 3.35Å; A9-K12 PolarHBondContact O-N 3.12Å; A9-L13 WeakPolarHBondContact O-CB 3.5Å; A9-L13 PolarHBondContact O-N 3.46Å
10	I	87	Confident	77.5	Confident	95 Å²	95	98.9 Å²	98.9	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-44.4	176.2	-67	166.6	0	0	0	110.3	D6 K12 L13 N14	D6-I10 VanDerWaalsContact O-CG1 3.3Å; D6-I10 WeakPolarHBondContact O-CG1 3.43Å; D6-I10 PolarHBondContact O-N 3.05Å; I10-K12 PolarHBondContact O-N 3.34Å; I10-L13 WeakPolarHBondContact O-CB 3.35Å; I10-L13 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-N 3.12Å
11	Y	88.6	Confident	78	Confident	152 Å²	152	98 Å²	98	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-58.2	-48.5	176.7	179.1	-98.3	0	0	0	112	E7 A9 L13 N14 Q15	E7-Y11 WeakPolarHBondContact O-CB 3.15Å; E7-Y11 PolarHBondContact O-N 2.83Å; A9-Y11 VanDerWaalsContact C-N 3.35Å; Y11-L13 VanDerWaalsContact C-N 3.31Å; Y11-L13 PolarHBondContact O-N 3.18Å; Y11-N14 PolarHBondContact O-N 2.99Å; Y11-Q15 PolarHBondContact O-N 3.4Å
12	K	89.2	Confident	79.9	Confident	131 Å²	131	91.5 Å²	91.5	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-62	-38.3	176.8	-74	175.7	-179.5	176.7	0	112.5	S8 A9 I10 W16	S8-K12 WeakPolarHBondContact O-CG 3.36Å; S8-K12 PolarHBondContact O-N 3.27Å; S8-K12 VanDerWaalsContact O-N 3.12Å; A9-K12 PolarHBondContact O-N 3.12Å; I10-K12 PolarHBondContact O-N 3.34Å; K12-W16 WeakPolarHBondContact O-CB 3.46Å; K12-W16 PolarHBondContact O-N 3.35Å
13	L	87	Confident	81.5	Confident	74 Å²	74	90.8 Å²	90.8	39%	0.387	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-45.3	176.9	180	65	0	0	0	111.2	A9 I10 Y11 W16 K17	A9-L13 WeakPolarHBondContact O-CB 3.5Å; A9-L13 PolarHBondContact O-N 3.46Å; I10-L13 WeakPolarHBondContact O-CB 3.35Å; I10-L13 PolarHBondContact O-N 3Å; Y11-L13 VanDerWaalsContact C-N 3.31Å; Y11-L13 PolarHBondContact O-N 3.18Å; L13-W16 HydrophobicContact CD1-CE3 4.1Å; L13-W16 HydrophobicContact CD1-CZ3 4.45Å; L13-W16 PolarHBondContact O-N 3.45Å; L13-K17 WeakPolarHBondContact O-CG 3.34Å; L13-K17 PolarHBondContact O-N 2.9Å
14	N	86.8	Confident	83	Confident	73 Å²	73	87.3 Å²	87.3	39%	0.39	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-43.2	178.8	-71.9	-19.7	0	0	0	111.7	I10 Y11 W16 K17 E18	I10-N14 PolarHBondContact O-N 3.12Å; Y11-N14 PolarHBondContact O-N 2.99Å; N14-W16 VanDerWaalsContact C-N 3.26Å; N14-W16 PolarHBondContact O-N 2.99Å; N14-K17 WeakPolarHBondContact O-CB 3.43Å; N14-K17 PolarHBondContact O-N 3.04Å; N14-K17 VanDerWaalsContact O-N 3.11Å; N14-E18 PolarHBondContact O-N 2.87Å
15	Q	88.6	Confident	84.2	Confident	111 Å²	111	88.4 Å²	88.4	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-39.4	174.8	-165	-176.2	27.8	0	0	111.9	Y11 S19	Y11-Q15 PolarHBondContact O-N 3.4Å; Q15-S19 WeakPolarHBondContact O-CB 3.46Å; Q15-S19 PolarHBondContact O-N 2.84Å
16	W	87.2	Confident	85.5	Confident	116 Å²	116	85.5 Å²	85.5	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-68.6	-38.2	175.6	-179.6	71.1	0	0	0	112.5	K12 L13 N14 S19 L20 F106	K12-W16 WeakPolarHBondContact O-CB 3.46Å; K12-W16 PolarHBondContact O-N 3.35Å; L13-W16 HydrophobicContact CD1-CE3 4.1Å; L13-W16 HydrophobicContact CD1-CZ3 4.45Å; L13-W16 PolarHBondContact O-N 3.45Å; N14-W16 VanDerWaalsContact C-N 3.26Å; N14-W16 PolarHBondContact O-N 2.99Å; W16-S19 PolarHBondContact O-N 2.99Å; W16-L20 WeakPolarHBondContact O-CB 3.29Å; W16-L20 PolarHBondContact O-N 2.77Å; W16-F106 HydrophobicContact CE3-CE2 4.42Å; W16-F106 HydrophobicContact CE3-CZ 4.46Å; W16-F106 HydrophobicContact CH2-CD2 4.43Å; W16-F106 AromaticContact CH2-CE2 3.41Å; W16-F106 HydrophobicContact CH2-CE2 3.41Å; W16-F106 VanDerWaalsContact CH2-CE2 3.41Å; W16-F106 AromaticContact CH2-CZ 3.79Å; W16-F106 HydrophobicContact CH2-CZ 3.79Å; W16-F106 HydrophobicContact CZ3-CD2 4.18Å; W16-F106 HydrophobicContact CZ3-CE1 4.24Å; W16-F106 AromaticContact CZ3-CE2 3.26Å; W16-F106 HydrophobicContact CZ3-CE2 3.26Å; W16-F106 AromaticContact CZ3-CZ 3.32Å; W16-F106 HydrophobicContact CZ3-CZ 3.32Å
17	K	85.9	Confident	86.4	Confident	76 Å²	76	80.4 Å²	80.4	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-46	173.9	-74.4	177.7	177.6	-176.2	0	112	L13 N14 L20 Q21	L13-K17 WeakPolarHBondContact O-CG 3.34Å; L13-K17 PolarHBondContact O-N 2.9Å; N14-K17 WeakPolarHBondContact O-CB 3.43Å; N14-K17 PolarHBondContact O-N 3.04Å; N14-K17 VanDerWaalsContact O-N 3.11Å; K17-L20 WeakPolarHBondContact O-CB 3.46Å; K17-L20 PolarHBondContact O-N 3.38Å; K17-Q21 PolarHBondContact O-N 2.91Å
18	E	86.8	Confident	86.8	Confident	125 Å²	125	74.2 Å²	74.2	58%	0.584	37%	0.368	S	S	*	.	H	α-helix	trans	-60.6	-46.7	175.9	-72.4	174.1	-175.5	0	0	111.1	N14 L20 Q21 T22	N14-E18 PolarHBondContact O-N 2.87Å; E18-L20 VanDerWaalsContact C-N 3.27Å; E18-L20 PolarHBondContact O-N 3.45Å; E18-Q21 WeakPolarHBondContact O-CB 3.43Å; E18-Q21 PolarHBondContact O-N 3.06Å; E18-T22 PolarHBondContact O-N 3.33Å; E18-T22 PolarHBondContact O-OG1 3.48Å; E18-T22 VanDerWaalsContact O-OG1 3.12Å
19	S	89.2	Confident	86.7	Confident	53 Å²	53	74.8 Å²	74.8	37%	0.371	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-40.7	175.4	-173	0	0	0	0	112.2	Q15 W16 T22 Q23	Q15-S19 WeakPolarHBondContact O-CB 3.46Å; Q15-S19 PolarHBondContact O-N 2.84Å; W16-S19 PolarHBondContact O-N 2.99Å; S19-T22 PolarHBondContact O-N 3.48Å; S19-Q23 WeakPolarHBondContact O-CB 3.43Å; S19-Q23 WeakPolarHBondContact O-CG 3.41Å; S19-Q23 PolarHBondContact O-N 3.22Å; S19-Q23 PolarHBondContact O-NE2 3.02Å; S19-Q23 PolarHBondContact OG-NE2 3.11Å
20	L	87.3	Confident	86.5	Confident	6 Å²	6	77.1 Å²	77.1	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-66.9	-39.1	178.6	-169.6	70.5	0	0	0	111.6	W16 K17 E18 Q23 S24 K99 R102 W103 F106	W16-L20 WeakPolarHBondContact O-CB 3.29Å; W16-L20 PolarHBondContact O-N 2.77Å; K17-L20 WeakPolarHBondContact O-CB 3.46Å; K17-L20 PolarHBondContact O-N 3.38Å; E18-L20 VanDerWaalsContact C-N 3.27Å; E18-L20 PolarHBondContact O-N 3.45Å; L20-Q23 PolarHBondContact O-N 3.32Å; L20-S24 WeakPolarHBondContact O-CB 3.3Å; L20-S24 PolarHBondContact O-N 2.92Å; L20-S24 PolarHBondContact O-OG 2.93Å; L20-K99 HydrophobicContact CD1-CB 4Å; L20-K99 HydrophobicContact CD1-CG 4.36Å; L20-R102 HydrophobicContact CD2-CB 3.96Å; L20-W103 HydrophobicContact CD2-CB 4.11Å; L20-W103 HydrophobicContact CG-CB 4.09Å; L20-F106 HydrophobicContact CD2-CD2 3.82Å; L20-F106 HydrophobicContact CD2-CE2 4.28Å
21	Q	88	Confident	86.3	Confident	80 Å²	80	74.2 Å²	74.2	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-51.3	173.3	176.2	173.6	-0.9	0	0	111.1	K17 E18 Q23 S24 I25 W103	K17-Q21 PolarHBondContact O-N 2.91Å; E18-Q21 WeakPolarHBondContact O-CB 3.43Å; E18-Q21 PolarHBondContact O-N 3.06Å; Q21-Q23 VanDerWaalsContact C-N 3.29Å; Q21-Q23 PolarHBondContact O-N 3.27Å; Q21-S24 PolarHBondContact O-N 2.92Å; Q21-S24 VanDerWaalsContact O-N 3.09Å; Q21-I25 HydrophobicContact CG-CD1 3.85Å; Q21-I25 WeakPolarHBondContact O-CG1 3.37Å; Q21-I25 PolarHBondContact O-N 2.93Å; Q21-W103 HydrophobicContact CG-CZ2 3.81Å
22	T	87.5	Confident	85.9	Confident	96 Å²	96	67 Å²	67	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-57.2	-44.4	178	-53.1	0	0	0	0	111.3	E18 S19 S24 I25 K26	E18-T22 PolarHBondContact O-N 3.33Å; E18-T22 PolarHBondContact O-OG1 3.48Å; E18-T22 VanDerWaalsContact O-OG1 3.12Å; S19-T22 PolarHBondContact O-N 3.48Å; T22-S24 VanDerWaalsContact C-N 3.34Å; T22-S24 PolarHBondContact O-N 3.12Å; T22-I25 PolarHBondContact O-N 2.9Å; T22-K26 WeakPolarHBondContact O-CB 3.49Å; T22-K26 PolarHBondContact O-N 3.41Å
23	Q	87.9	Confident	85.7	Confident	65 Å²	65	62 Å²	62	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-38	177.4	-73.2	176.1	64.3	0	0	112.5	S19 L20 Q21 L27 K99	S19-Q23 WeakPolarHBondContact O-CB 3.43Å; S19-Q23 WeakPolarHBondContact O-CG 3.41Å; S19-Q23 PolarHBondContact O-N 3.22Å; S19-Q23 PolarHBondContact O-NE2 3.02Å; S19-Q23 PolarHBondContact OG-NE2 3.11Å; L20-Q23 PolarHBondContact O-N 3.32Å; Q21-Q23 VanDerWaalsContact C-N 3.29Å; Q21-Q23 PolarHBondContact O-N 3.27Å; Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.29Å; Q23-K99 HydrophobicContact CB-CD 4.2Å; Q23-K99 VanDerWaalsContact OE1-CD 3.31Å
24	S	85.9	Confident	85.5	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.2	-41.6	179.6	-59.9	0	0	0	0	111.9	L20 Q21 T22 L27 L28 K99 W103	L20-S24 WeakPolarHBondContact O-CB 3.3Å; L20-S24 PolarHBondContact O-N 2.92Å; L20-S24 PolarHBondContact O-OG 2.93Å; Q21-S24 PolarHBondContact O-N 2.92Å; Q21-S24 VanDerWaalsContact O-N 3.09Å; T22-S24 VanDerWaalsContact C-N 3.34Å; T22-S24 PolarHBondContact O-N 3.12Å; S24-L27 WeakPolarHBondContact O-CB 3.39Å; S24-L27 PolarHBondContact O-N 3.46Å; S24-L28 WeakPolarHBondContact O-CG 3.39Å; S24-L28 PolarHBondContact O-N 3.35Å; S24-K99 PolarHBondContact OG-O 3.21Å; S24-W103 VanDerWaalsContact CB-CE3 3.49Å; S24-W103 VanDerWaalsContact OG-CB 3.28Å; S24-W103 WeakPolarHBondContact OG-CB 3.37Å
25	I	83.8	Confident	85.2	Confident	73 Å²	73	59.9 Å²	59.9	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-44.8	174.3	-66.7	170.2	0	0	0	110.5	Q21 T22 L27 L28 S29 W103	Q21-I25 HydrophobicContact CG-CD1 3.85Å; Q21-I25 WeakPolarHBondContact O-CG1 3.37Å; Q21-I25 PolarHBondContact O-N 2.93Å; T22-I25 PolarHBondContact O-N 2.9Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 3.43Å; I25-L28 PolarHBondContact O-N 3.23Å; I25-S29 WeakPolarHBondContact O-CB 3.46Å; I25-S29 PolarHBondContact O-N 3.01Å; I25-S29 PolarHBondContact O-OG 3.3Å; I25-W103 HydrophobicContact CG1-CH2 4.31Å
26	K	86.2	Confident	85	Confident	111 Å²	111	55.9 Å²	55.9	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-40.3	175	-172.9	176.9	-173	176.2	0	111.8	T22 L28 S29 E30 T31	T22-K26 WeakPolarHBondContact O-CB 3.49Å; T22-K26 PolarHBondContact O-N 3.41Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-L28 PolarHBondContact O-N 3.47Å; K26-S29 WeakPolarHBondContact CA-OG 3.45Å; K26-S29 PolarHBondContact O-N 3.2Å; K26-S29 PolarHBondContact O-OG 3.12Å; K26-E30 WeakPolarHBondContact CE-OE2 3.29Å; K26-E30 HydrophobicContact CG-CB 4.49Å; K26-E30 HydrophobicContact CG-CG 4.41Å; K26-E30 IonicContact NZ-OE2 3.98Å; K26-E30 WeakPolarHBondContact O-CB 3.35Å; K26-E30 PolarHBondContact O-N 2.79Å; K26-T31 PolarHBondContact O-N 3.33Å
27	L	84.7	Confident	84.9	Confident	2 Å²	2	57 Å²	57	1%	0.01	29%	0.287	C	S	.	.	I	π-helix	trans	-64.5	-40.1	179.6	180	134	0	0	0	112.3	Q23 S24 I25 T31 F32 E96 L100	Q23-L27 WeakPolarHBondContact O-CB 3.48Å; Q23-L27 PolarHBondContact O-N 3.29Å; S24-L27 WeakPolarHBondContact O-CB 3.39Å; S24-L27 PolarHBondContact O-N 3.46Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 3.43Å; L27-T31 WeakPolarHBondContact O-CB 2.88Å; L27-T31 PolarHBondContact O-N 2.97Å; L27-F32 HydrophobicContact CD1-CE1 4.37Å; L27-F32 HydrophobicContact CD2-CD1 3.85Å; L27-F32 HydrophobicContact CD2-CE1 3.14Å; L27-F32 HydrophobicContact CD2-CE2 4.05Å; L27-F32 HydrophobicContact CD2-CZ 3.27Å; L27-F32 HydrophobicContact CG-CD1 4.03Å; L27-F32 HydrophobicContact CG-CE1 3.68Å; L27-F32 HydrophobicContact CG-CZ 4.29Å; L27-F32 WeakPolarHBondContact O-CD1 3.21Å; L27-F32 WeakPolarHBondContact O-CG 3.42Å; L27-F32 PolarHBondContact O-N 3.19Å; L27-E96 VanDerWaalsContact CD1-C 3.44Å; L27-E96 HydrophobicContact CD1-CB 3.71Å; L27-E96 WeakPolarHBondContact CD1-O 3.4Å; L27-L100 HydrophobicContact CD2-CB 4.04Å; L27-L100 HydrophobicContact CD2-CD2 4.33Å
28	L	82.6	Confident	84.8	Confident	15 Å²	15	59 Å²	59	8%	0.079	30%	0.295	C	S	.	.	I	π-helix	trans	-68.2	-49	174.3	-69.9	163.5	0	0	0	111.8	S24 I25 K26 F32 P33 L100 W103 H197 V200	S24-L28 WeakPolarHBondContact O-CG 3.39Å; S24-L28 PolarHBondContact O-N 3.35Å; I25-L28 PolarHBondContact O-N 3.23Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-L28 PolarHBondContact O-N 3.47Å; L28-F32 HydrophobicContact CD2-CD2 4.03Å; L28-F32 HydrophobicContact CD2-CE2 3.86Å; L28-P33 VanDerWaalsContact O-CD 3.31Å; L28-P33 WeakPolarHBondContact O-CD 3.43Å; L28-L100 HydrophobicContact CD1-CD1 3.87Å; L28-L100 HydrophobicContact CD2-CD1 4.36Å; L28-L100 HydrophobicContact CD2-CD2 3.94Å; L28-L100 HydrophobicContact CG-CD1 4.16Å; L28-L100 HydrophobicContact CG-CD2 4.48Å; L28-W103 HydrophobicContact CD1-CZ3 4.47Å; L28-H197 PolarHBondContact O-CD2 3.31Å; L28-V200 HydrophobicContact CD1-CB 4.36Å; L28-V200 HydrophobicContact CD1-CG1 3.55Å; L28-V200 HydrophobicContact CD2-CB 4.29Å; L28-V200 HydrophobicContact CD2-CG1 4.35Å; L28-V200 HydrophobicContact CD2-CG2 4.45Å
29	S	82.3	Confident	84.5	Confident	65 Å²	65	53.6 Å²	53.6	46%	0.455	27%	0.27	S	S	.	.	I	π-helix	trans	-77.2	-33.3	-171.7	52	0	0	0	0	114.7	I25 K26	I25-S29 WeakPolarHBondContact O-CB 3.46Å; I25-S29 PolarHBondContact O-N 3.01Å; I25-S29 PolarHBondContact O-OG 3.3Å; K26-S29 WeakPolarHBondContact CA-OG 3.45Å; K26-S29 PolarHBondContact O-N 3.2Å; K26-S29 PolarHBondContact O-OG 3.12Å
30	E	84.3	Confident	84.3	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.472	27%	0.273	S	S	.	.	I	π-helix	trans	-115.7	-57.4	-174.5	-61	174.1	-159.2	0	0	111.2	K26 F32 P33 D34	K26-E30 WeakPolarHBondContact CE-OE2 3.29Å; K26-E30 HydrophobicContact CG-CB 4.49Å; K26-E30 HydrophobicContact CG-CG 4.41Å; K26-E30 IonicContact NZ-OE2 3.98Å; K26-E30 WeakPolarHBondContact O-CB 3.35Å; K26-E30 PolarHBondContact O-N 2.79Å; E30-F32 PolarHBondContact O-N 2.87Å; E30-P33 WeakPolarHBondContact O-CD 3.43Å; E30-D34 WeakPolarHBondContact O-CB 3.27Å; E30-D34 PolarHBondContact O-N 3Å; E30-D34 VanDerWaalsContact O-N 3.09Å
31	T	82.4	Confident	84.2	Confident	34 Å²	34	62.2 Å²	62.2	21%	0.209	30%	0.302	C	S	.	.	I	π-helix	trans	-67.6	-39.1	-166.9	-55.8	0	0	0	0	113.1	K26 L27 H35	K26-T31 PolarHBondContact O-N 3.33Å; L27-T31 WeakPolarHBondContact O-CB 2.88Å; L27-T31 PolarHBondContact O-N 2.97Å; T31-H35 WeakPolarHBondContact CG2-CE1 3.47Å; T31-H35 PolarHBondContact O-N 3.21Å; T31-H35 PolarHBondContact O-ND1 3.37Å
32	F	81.4	Confident	83.8	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-53.5	178.3	-81.1	10.9	0	0	0	112.1	L27 L28 E30 D34 H35 M36 K97 L100 F193 L196	L27-F32 HydrophobicContact CD1-CE1 4.37Å; L27-F32 HydrophobicContact CD2-CD1 3.85Å; L27-F32 HydrophobicContact CD2-CE1 3.14Å; L27-F32 HydrophobicContact CD2-CE2 4.05Å; L27-F32 HydrophobicContact CD2-CZ 3.27Å; L27-F32 HydrophobicContact CG-CD1 4.03Å; L27-F32 HydrophobicContact CG-CE1 3.68Å; L27-F32 HydrophobicContact CG-CZ 4.29Å; L27-F32 WeakPolarHBondContact O-CD1 3.21Å; L27-F32 WeakPolarHBondContact O-CG 3.42Å; L27-F32 PolarHBondContact O-N 3.19Å; L28-F32 HydrophobicContact CD2-CD2 4.03Å; L28-F32 HydrophobicContact CD2-CE2 3.86Å; E30-F32 PolarHBondContact O-N 2.87Å; F32-D34 PolarHBondContact O-N 2.92Å; F32-H35 PolarHBondContact O-N 2.89Å; F32-H35 VanDerWaalsContact O-N 3.11Å; F32-M36 WeakPolarHBondContact O-CG 3.37Å; F32-M36 PolarHBondContact O-N 3.03Å; F32-K97 HydrophobicContact CE1-CD 4.47Å; F32-K97 HydrophobicContact CE1-CG 3.85Å; F32-K97 HydrophobicContact CZ-CG 4.09Å; F32-L100 HydrophobicContact CE2-CD2 4.17Å; F32-L100 HydrophobicContact CZ-CD2 4.15Å; F32-F193 HydrophobicContact CB-CD1 4.32Å; F32-F193 AromaticContact CD1-CD1 3.87Å; F32-F193 HydrophobicContact CD1-CD1 3.87Å; F32-F193 AromaticContact CD1-CE1 3.6Å; F32-F193 HydrophobicContact CD1-CE1 3.6Å; F32-F193 AromaticContact CD2-CD1 3.93Å; F32-F193 HydrophobicContact CD2-CD1 3.93Å; F32-F193 HydrophobicContact CD2-CE1 4.46Å; F32-F193 HydrophobicContact CE1-CD1 4.08Å; F32-F193 AromaticContact CE1-CE1 3.67Å; F32-F193 HydrophobicContact CE1-CE1 3.67Å; F32-F193 HydrophobicContact CE2-CD1 4.18Å; F32-F193 AromaticContact CG-CD1 3.76Å; F32-F193 HydrophobicContact CG-CD1 3.76Å; F32-F193 AromaticContact CG-CE1 3.99Å; F32-F193 HydrophobicContact CG-CE1 3.99Å; F32-F193 HydrophobicContact CZ-CD1 4.23Å; F32-F193 HydrophobicContact CZ-CE1 4.17Å; F32-L196 HydrophobicContact CE2-CD2 3.49Å; F32-L196 VanDerWaalsContact CE2-CD2 3.49Å; F32-L196 HydrophobicContact CE2-CG 4.14Å; F32-L196 HydrophobicContact CZ-CD2 3.97Å
33	P	84.6	Confident	83.5	Confident	26 Å²	26	57.1 Å²	57.1	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-50.1	-43.4	171.5	-30.9	36.4	0	0	0	113.7	L28 E30 H35 M36 R37	L28-P33 VanDerWaalsContact O-CD 3.31Å; L28-P33 WeakPolarHBondContact O-CD 3.43Å; E30-P33 WeakPolarHBondContact O-CD 3.43Å; P33-H35 PolarHBondContact O-N 3.46Å; P33-M36 HydrophobicContact CB-CE 4.41Å; P33-M36 HydrophobicContact CG-CE 4.33Å; P33-M36 PolarHBondContact O-N 2.94Å; P33-R37 WeakPolarHBondContact O-CG 3.34Å; P33-R37 PolarHBondContact O-N 3.17Å
34	D	83.2	Confident	83.3	Confident	72 Å²	72	60.5 Å²	60.5	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-37.3	179.8	-79.7	-10.7	0	0	0	113.3	E30 F32 R37 K38	E30-D34 WeakPolarHBondContact O-CB 3.27Å; E30-D34 PolarHBondContact O-N 3Å; E30-D34 VanDerWaalsContact O-N 3.09Å; F32-D34 PolarHBondContact O-N 2.92Å; D34-R37 IonicContact OD1-NH1 3.89Å; D34-R37 PolarHBondContact OD1-NH1 3.19Å; D34-K38 WeakPolarHBondContact O-CB 3.35Å; D34-K38 VanDerWaalsContact O-CG 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.41Å; D34-K38 PolarHBondContact O-N 3.32Å
35	H	78.5	Confident	82.9	Confident	29 Å²	29	63.7 Å²	63.7	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-44.2	173.1	-74.2	129.4	0	0	0	112.2	T31 F32 P33 R37 K38 I39 V93 F193	T31-H35 WeakPolarHBondContact CG2-CE1 3.47Å; T31-H35 PolarHBondContact O-N 3.21Å; T31-H35 PolarHBondContact O-ND1 3.37Å; F32-H35 PolarHBondContact O-N 2.89Å; F32-H35 VanDerWaalsContact O-N 3.11Å; P33-H35 PolarHBondContact O-N 3.46Å; H35-R37 VanDerWaalsContact C-N 3.33Å; H35-R37 PolarHBondContact O-N 3.11Å; H35-K38 PolarHBondContact O-N 3.25Å; H35-K38 VanDerWaalsContact O-N 3.15Å; H35-I39 WeakPolarHBondContact O-CG1 3.43Å; H35-I39 PolarHBondContact O-N 2.97Å; H35-V93 WeakPolarHBondContact CE1-CG2 3.47Å; H35-V93 WeakPolarHBondContact NE2-CG2 3.2Å; H35-F193 HydrophobicContact CB-CZ 4.29Å
36	M	85	Confident	82.3	Confident	27 Å²	27	62.7 Å²	62.7	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-50.6	175.9	-68.6	-173.8	-70.4	0	0	110.5	F32 P33 K38 I39 E40 I190 F193 A194	F32-M36 WeakPolarHBondContact O-CG 3.37Å; F32-M36 PolarHBondContact O-N 3.03Å; P33-M36 HydrophobicContact CB-CE 4.41Å; P33-M36 HydrophobicContact CG-CE 4.33Å; P33-M36 PolarHBondContact O-N 2.94Å; M36-K38 VanDerWaalsContact C-N 3.32Å; M36-K38 PolarHBondContact O-N 3.46Å; M36-I39 PolarHBondContact O-N 2.95Å; M36-I39 VanDerWaalsContact O-N 3.11Å; M36-E40 WeakPolarHBondContact O-CG 3.28Å; M36-E40 PolarHBondContact O-N 3.29Å; M36-I190 HydrophobicContact CB-CG2 4.19Å; M36-I190 HydrophobicContact CG-CG2 4.18Å; M36-I190 HydrophobicContact SD-CG2 4.35Å; M36-F193 HydrophobicContact CG-CB 3.66Å; M36-F193 HydrophobicContact CG-CD2 4.4Å; M36-F193 HydrophobicContact CG-CG 4.23Å; M36-F193 HydrophobicContact SD-CB 3.55Å; M36-F193 VanDerWaalsContact SD-CB 3.55Å; M36-A194 HydrophobicContact SD-CB 3.88Å; M36-A194 PolarHBondContact SD-N 3.36Å
37	R	85.4	Confident	81.5	Confident	141 Å²	141	60.3 Å²	60.3	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-38.7	176.4	-72.6	174.6	-175.7	155.2	-2.8	113.3	P33 D34 H35 K41	P33-R37 WeakPolarHBondContact O-CG 3.34Å; P33-R37 PolarHBondContact O-N 3.17Å; D34-R37 IonicContact OD1-NH1 3.89Å; D34-R37 PolarHBondContact OD1-NH1 3.19Å; H35-R37 VanDerWaalsContact C-N 3.33Å; H35-R37 PolarHBondContact O-N 3.11Å; R37-K41 WeakPolarHBondContact O-CB 3.47Å; R37-K41 VanDerWaalsContact O-CG 3.27Å; R37-K41 WeakPolarHBondContact O-CG 3.42Å; R37-K41 PolarHBondContact O-N 3.39Å
38	K	83.3	Confident	80.8	Confident	118 Å²	118	60.8 Å²	60.8	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-43.2	176.5	-77.1	167.8	-173.1	168.2	0	111.1	D34 H35 M36 I42	D34-K38 WeakPolarHBondContact O-CB 3.35Å; D34-K38 VanDerWaalsContact O-CG 3.25Å; D34-K38 WeakPolarHBondContact O-CG 3.41Å; D34-K38 PolarHBondContact O-N 3.32Å; H35-K38 PolarHBondContact O-N 3.25Å; H35-K38 VanDerWaalsContact O-N 3.15Å; M36-K38 VanDerWaalsContact C-N 3.32Å; M36-K38 PolarHBondContact O-N 3.46Å; K38-I42 WeakPolarHBondContact O-CD1 3.43Å; K38-I42 VanDerWaalsContact O-CG1 3.25Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 2.73Å; K38-I42 VanDerWaalsContact O-N 3.08Å
39	I	80.5	Confident	80.4	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-46.1	177.5	-58.8	169.7	0	0	0	110	H35 M36 K41 I42 L43 F87 L186 L189 I190 F193	H35-I39 WeakPolarHBondContact O-CG1 3.43Å; H35-I39 PolarHBondContact O-N 2.97Å; M36-I39 PolarHBondContact O-N 2.95Å; M36-I39 VanDerWaalsContact O-N 3.11Å; I39-K41 PolarHBondContact O-N 3.46Å; I39-I42 WeakPolarHBondContact O-CB 3.3Å; I39-I42 PolarHBondContact O-N 3.49Å; I39-I42 VanDerWaalsContact O-N 3.08Å; I39-L43 HydrophobicContact CG2-CD1 4.18Å; I39-L43 HydrophobicContact CG2-CG 4.41Å; I39-L43 WeakPolarHBondContact O-CG 3.48Å; I39-L43 PolarHBondContact O-N 2.96Å; I39-F87 HydrophobicContact CD1-CZ 4.46Å; I39-F87 HydrophobicContact CG1-CE2 4.07Å; I39-F87 HydrophobicContact CG1-CZ 4.46Å; I39-L186 HydrophobicContact CG2-CB 3.95Å; I39-L186 HydrophobicContact CG2-CD2 4.18Å; I39-L186 HydrophobicContact CG2-CG 4.48Å; I39-L189 HydrophobicContact CD1-CD2 3.97Å; I39-L189 HydrophobicContact CD1-CG 4.34Å; I39-I190 HydrophobicContact CB-CD1 3.86Å; I39-I190 HydrophobicContact CB-CG1 3.85Å; I39-I190 HydrophobicContact CD1-CG1 4.22Å; I39-I190 HydrophobicContact CG2-CD1 3.53Å; I39-I190 HydrophobicContact CG2-CG1 3.78Å; I39-F193 HydrophobicContact CD1-CE2 4.44Å
40	E	86.1	Confident	79.6	Confident	93 Å²	93	65.9 Å²	65.9	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-46.5	176.6	-73.6	-179.7	158.1	0	0	112.1	M36 I42 L43 Q44 I190	M36-E40 WeakPolarHBondContact O-CG 3.28Å; M36-E40 PolarHBondContact O-N 3.29Å; E40-I42 VanDerWaalsContact C-N 3.27Å; E40-I42 PolarHBondContact O-N 2.92Å; E40-L43 PolarHBondContact O-N 2.93Å; E40-L43 VanDerWaalsContact O-N 3.13Å; E40-Q44 WeakPolarHBondContact O-CG 3.42Å; E40-Q44 PolarHBondContact O-N 2.84Å; E40-I190 HydrophobicContact CG-CD1 3.65Å
41	K	85.3	Confident	78.8	Confident	148 Å²	148	69.3 Å²	69.3	64%	0.643	32%	0.323	S	S	*	.	H	α-helix	trans	-59.1	-39.1	175.5	-77.6	178.2	-179.5	-177.1	0	112.2	R37 I39 Q44	R37-K41 WeakPolarHBondContact O-CB 3.47Å; R37-K41 VanDerWaalsContact O-CG 3.27Å; R37-K41 WeakPolarHBondContact O-CG 3.42Å; R37-K41 PolarHBondContact O-N 3.39Å; I39-K41 PolarHBondContact O-N 3.46Å; K41-Q44 PolarHBondContact O-N 2.75Å
42	I	78.2	Confident	78.1	Confident	40 Å²	40	70.9 Å²	70.9	21%	0.205	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-46.6	175.7	-71.3	165.8	0	0	0	110	K38 I39 E40 Q44 L45 F48 T83 F87	K38-I42 WeakPolarHBondContact O-CD1 3.43Å; K38-I42 VanDerWaalsContact O-CG1 3.25Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 2.73Å; K38-I42 VanDerWaalsContact O-N 3.08Å; I39-I42 WeakPolarHBondContact O-CB 3.3Å; I39-I42 PolarHBondContact O-N 3.49Å; I39-I42 VanDerWaalsContact O-N 3.08Å; E40-I42 VanDerWaalsContact C-N 3.27Å; E40-I42 PolarHBondContact O-N 2.92Å; I42-Q44 VanDerWaalsContact C-N 3.25Å; I42-Q44 PolarHBondContact O-N 3.09Å; I42-L45 VanDerWaalsContact O-CB 3.27Å; I42-L45 WeakPolarHBondContact O-CB 3.44Å; I42-L45 WeakPolarHBondContact O-CG 3.31Å; I42-L45 PolarHBondContact O-N 2.92Å; I42-F48 HydrophobicContact CG2-CD2 4.19Å; I42-F48 HydrophobicContact CG2-CE2 3.38Å; I42-F48 HydrophobicContact CG2-CZ 3.77Å; I42-F48 WeakPolarHBondContact O-CD2 3.48Å; I42-F48 WeakPolarHBondContact O-CE2 3.39Å; I42-T83 HydrophobicContact CG2-CG2 4.43Å; I42-F87 HydrophobicContact CD1-CD2 4.38Å
43	L	81.4	Confident	77.3	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-25.9	-179.3	-69.4	175.7	0	0	0	113.5	I39 E40 L45 I183 L186 K187 I190	I39-L43 HydrophobicContact CG2-CD1 4.18Å; I39-L43 HydrophobicContact CG2-CG 4.41Å; I39-L43 WeakPolarHBondContact O-CG 3.48Å; I39-L43 PolarHBondContact O-N 2.96Å; E40-L43 PolarHBondContact O-N 2.93Å; E40-L43 VanDerWaalsContact O-N 3.13Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-L45 PolarHBondContact O-N 3.33Å; L43-I183 HydrophobicContact CD2-CB 4.41Å; L43-I183 HydrophobicContact CD2-CG1 4.13Å; L43-I183 HydrophobicContact CD2-CG2 4.25Å; L43-L186 HydrophobicContact CD1-CB 4.22Å; L43-L186 HydrophobicContact CD2-CB 4.08Å; L43-L186 HydrophobicContact CD2-CD1 3.84Å; L43-L186 HydrophobicContact CG-CB 4.48Å; L43-K187 HydrophobicContact CD1-CG 3.77Å; L43-I190 HydrophobicContact CD1-CD1 3.96Å
44	Q	83.8	Confident	76.3	Confident	136 Å²	136	72.5 Å²	72.5	64%	0.636	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.1	174.7	-70.9	176.5	7.2	0	0	113.6	E40 K41 I42	E40-Q44 WeakPolarHBondContact O-CG 3.42Å; E40-Q44 PolarHBondContact O-N 2.84Å; K41-Q44 PolarHBondContact O-N 2.75Å; I42-Q44 VanDerWaalsContact C-N 3.25Å; I42-Q44 PolarHBondContact O-N 3.09Å
45	L	77.3	Confident	75.5	Confident	66 Å²	66	79.2 Å²	79.2	35%	0.346	35%	0.353	S	S	.	.	S	Bend	trans	-63.7	140.5	-178.2	-64.1	172.7	0	0	0	110.3	I42 L43 K47 F48	I42-L45 VanDerWaalsContact O-CB 3.27Å; I42-L45 WeakPolarHBondContact O-CB 3.44Å; I42-L45 WeakPolarHBondContact O-CG 3.31Å; I42-L45 PolarHBondContact O-N 2.92Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-L45 PolarHBondContact O-N 3.33Å; L45-K47 HydrophobicContact CB-CD 4.47Å; L45-K47 HydrophobicContact CB-CG 4Å; L45-K47 PolarHBondContact O-N 2.75Å; L45-F48 HydrophobicContact CB-CD2 4.23Å; L45-F48 PolarHBondContact O-N 3.31Å
46	P	72.8	Confident	74.7	Confident	52 Å²	52	83.5 Å²	83.5	34%	0.338	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.7	-29	-173.2	-22.7	31.2	0	0	0	114.3	F48 R49 Q52	P46-F48 VanDerWaalsContact C-N 3.27Å; P46-F48 PolarHBondContact O-N 3.26Å; P46-R49 VanDerWaalsContact O-CB 3.24Å; P46-R49 WeakPolarHBondContact O-CB 3.48Å; P46-R49 PolarHBondContact O-N 3.48Å; P46-Q52 PolarHBondContact O-OE1 2.76Å
47	K	68.7	Low	73.6	Confident	61 Å²	61	82.6 Å²	82.6	27%	0.265	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-65.6	-16.7	175	64.1	-170.5	169.9	-170	0	116.3	L45 T83	L45-K47 HydrophobicContact CB-CD 4.47Å; L45-K47 HydrophobicContact CB-CG 4Å; L45-K47 PolarHBondContact O-N 2.75Å; K47-T83 WeakPolarHBondContact CE-OG1 3.29Å; K47-T83 VanDerWaalsContact NZ-CG2 3.34Å; K47-T83 PolarHBondContact NZ-OG1 3.26Å
48	F	70.7	Confident	72.5	Confident	13 Å²	13	80.3 Å²	80.3	6%	0.057	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-95.7	3.7	170.2	-67.8	-78.7	0	0	0	112	I42 L45 P46 F80 T83 L182 I183	I42-F48 HydrophobicContact CG2-CD2 4.19Å; I42-F48 HydrophobicContact CG2-CE2 3.38Å; I42-F48 HydrophobicContact CG2-CZ 3.77Å; I42-F48 WeakPolarHBondContact O-CD2 3.48Å; I42-F48 WeakPolarHBondContact O-CE2 3.39Å; L45-F48 HydrophobicContact CB-CD2 4.23Å; L45-F48 PolarHBondContact O-N 3.31Å; P46-F48 VanDerWaalsContact C-N 3.27Å; P46-F48 PolarHBondContact O-N 3.26Å; F48-F80 HydrophobicContact CE1-CE2 4.21Å; F48-T83 HydrophobicContact CE2-CG2 4.05Å; F48-T83 HydrophobicContact CZ-CG2 4.11Å; F48-L182 HydrophobicContact CD1-CD2 4.22Å; F48-L182 HydrophobicContact CE1-CD2 3.48Å; F48-L182 VanDerWaalsContact CE1-CD2 3.48Å; F48-L182 HydrophobicContact CZ-CD2 4.38Å; F48-I183 HydrophobicContact CB-CD1 4.13Å; F48-I183 HydrophobicContact CB-CG1 4.37Å; F48-I183 HydrophobicContact CD1-CD1 4.33Å; F48-I183 HydrophobicContact CD1-CG1 3.98Å; F48-I183 WeakPolarHBondContact O-CD1 3.3Å
49	R	72.4	Confident	71.3	Confident	135 Å²	135	78.2 Å²	78.2	51%	0.509	36%	0.361	S	S	.	.	S	Bend	trans	-86.2	118.1	165.7	-53.1	-177	-156.3	-163.3	5.9	107.7	P46 E51 Q52 Y53	P46-R49 VanDerWaalsContact O-CB 3.24Å; P46-R49 WeakPolarHBondContact O-CB 3.48Å; P46-R49 PolarHBondContact O-N 3.48Å; R49-E51 PolarHBondContact O-N 2.95Å; R49-E51 VanDerWaalsContact O-N 3.13Å; R49-Q52 PolarHBondContact O-N 3.37Å; R49-Y53 PolarHBondContact O-N 2.89Å; R49-Y53 VanDerWaalsContact O-N 3.16Å
50	L	66.8	Low	70.1	Confident	51 Å²	51	79.7 Å²	79.7	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-48.7	-40.3	-179.1	-85.6	149.4	0	0	0	113.5	Q52 Y53 R176 E180	L50-Q52 PolarHBondContact O-N 3.13Å; L50-Y53 WeakPolarHBondContact O-CB 3.43Å; L50-Y53 PolarHBondContact O-N 3.2Å; L50-R176 HydrophobicContact CD2-CG 3.38Å; L50-E180 HydrophobicContact CD1-CG 3.63Å; L50-E180 VanDerWaalsContact CD1-OE1 3.24Å; L50-E180 WeakPolarHBondContact CD1-OE1 3.43Å; L50-E180 HydrophobicContact CD2-CG 3.78Å; L50-E180 WeakPolarHBondContact CD2-OE1 3.49Å; L50-E180 HydrophobicContact CG-CG 4.14Å
51	E	67.1	Low	68.2	Low	173 Å²	173	76.9 Å²	76.9	81%	0.808	36%	0.363	S	S	*	.	H	α-helix	trans	-58.4	-33.1	178.8	-64.5	166.3	-177.8	0	0	113.5	R49	R49-E51 PolarHBondContact O-N 2.95Å; R49-E51 VanDerWaalsContact O-N 3.13Å
52	Q	67.4	Low	66.5	Low	67 Å²	67	72.4 Å²	72.4	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-91.9	-25.6	179.8	-59.7	-163.7	0.6	0	0	112.3	P46 R49 L50 E54 R55 Y56	P46-Q52 PolarHBondContact O-OE1 2.76Å; R49-Q52 PolarHBondContact O-N 3.37Å; L50-Q52 PolarHBondContact O-N 3.13Å; Q52-E54 PolarHBondContact O-N 3.28Å; Q52-R55 WeakPolarHBondContact O-CB 3.46Å; Q52-R55 PolarHBondContact O-N 3.01Å; Q52-R55 VanDerWaalsContact O-N 3.12Å; Q52-Y56 HydrophobicContact CB-CD2 4.25Å; Q52-Y56 HydrophobicContact CB-CE2 4Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.32Å; Q52-Y56 PolarHBondContact O-N 3.45Å; Q52-Y56 VanDerWaalsContact O-N 3.12Å
53	Y	64.4	Low	65.1	Low	15 Å²	15	72.4 Å²	72.4	6%	0.059	34%	0.344	C	S	.	.	H	α-helix	trans	-57.6	-48.4	-178.5	-176.7	-101.4	0	0	0	111.6	R49 L50 R55 Y56 T57 F80 D175 V179	R49-Y53 PolarHBondContact O-N 2.89Å; R49-Y53 VanDerWaalsContact O-N 3.16Å; L50-Y53 WeakPolarHBondContact O-CB 3.43Å; L50-Y53 PolarHBondContact O-N 3.2Å; Y53-R55 PolarHBondContact O-N 3.41Å; Y53-Y56 PolarHBondContact O-N 3.46Å; Y53-T57 WeakPolarHBondContact CE1-OG1 3.35Å; Y53-T57 VanDerWaalsContact CZ-OG1 3.29Å; Y53-T57 PolarHBondContact O-N 3.36Å; Y53-T57 PolarHBondContact O-OG1 3.49Å; Y53-F80 AromaticContact CE2-CD2 3.98Å; Y53-F80 HydrophobicContact CE2-CD2 3.98Å; Y53-F80 HydrophobicContact CE2-CE2 4.09Å; Y53-F80 HydrophobicContact CE2-CG 4.45Å; Y53-D175 HydrophobicContact CE1-CB 3.77Å; Y53-D175 WeakPolarHBondContact OH-CB 3.47Å; Y53-V179 HydrophobicContact CD1-CG2 4.06Å; Y53-V179 HydrophobicContact CD2-CG2 3.73Å; Y53-V179 HydrophobicContact CE1-CG2 3.71Å; Y53-V179 HydrophobicContact CE2-CG2 3.37Å; Y53-V179 HydrophobicContact CG-CG2 4.06Å
54	E	64	Low	63.3	Low	46 Å²	46	76.4 Å²	76.4	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-52.7	-41.8	176.5	-107.9	-168.6	-165.1	0	0	112.7	Q52 T57 R58 R176	Q52-E54 PolarHBondContact O-N 3.28Å; E54-T57 PolarHBondContact O-N 3.35Å; E54-R58 WeakPolarHBondContact O-CB 3.47Å; E54-R58 WeakPolarHBondContact O-CG 3.2Å; E54-R58 PolarHBondContact O-N 3.02Å; E54-R58 IonicContact OE1-NH2 3.52Å; E54-R58 IonicContact OE2-CZ 3.92Å; E54-R58 IonicContact OE2-NH1 2.64Å; E54-R58 PolarHBondContact OE2-NH1 3.09Å; E54-R58 IonicContact OE2-NH2 3.7Å; E54-R176 IonicContact OE1-CZ 3.38Å; E54-R176 IonicContact OE1-NE 3.34Å; E54-R176 IonicContact OE1-NH2 2.68Å; E54-R176 PolarHBondContact OE1-NH2 3.23Å; E54-R176 IonicContact OE2-NH2 3.98Å
55	R	65.7	Low	61.4	Low	213 Å²	213	72.8 Å²	72.8	80%	0.804	35%	0.348	S	S	*	.	H	α-helix	trans	-66.8	-39.3	-178.5	-146.6	178	-172.7	-176.2	2.7	111.5	Q52 Y53 A59	Q52-R55 WeakPolarHBondContact O-CB 3.46Å; Q52-R55 PolarHBondContact O-N 3.01Å; Q52-R55 VanDerWaalsContact O-N 3.12Å; Y53-R55 PolarHBondContact O-N 3.41Å; R55-A59 WeakPolarHBondContact O-CB 3.4Å; R55-A59 PolarHBondContact O-N 2.89Å
56	Y	61.9	Low	59.4	Low	120 Å²	120	72.4 Å²	72.4	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-70	-42.6	174.9	-73.5	-67.1	0	0	0	111.9	Q52 Y53 A59 T60	Q52-Y56 HydrophobicContact CB-CD2 4.25Å; Q52-Y56 HydrophobicContact CB-CE2 4Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.32Å; Q52-Y56 PolarHBondContact O-N 3.45Å; Q52-Y56 VanDerWaalsContact O-N 3.12Å; Y53-Y56 PolarHBondContact O-N 3.46Å; Y56-A59 PolarHBondContact O-N 2.92Å; Y56-T60 WeakPolarHBondContact O-CG2 3.42Å; Y56-T60 PolarHBondContact O-N 3.18Å
57	T	62.9	Low	57.6	Low	8 Å²	8	72.9 Å²	72.9	5%	0.049	36%	0.363	C	S	.	.	H	α-helix	trans	-69.8	-43.6	-176.5	-46.5	0	0	0	0	111.5	Y53 E54 A59 T60 L172 D175	Y53-T57 WeakPolarHBondContact CE1-OG1 3.35Å; Y53-T57 VanDerWaalsContact CZ-OG1 3.29Å; Y53-T57 PolarHBondContact O-N 3.36Å; Y53-T57 PolarHBondContact O-OG1 3.49Å; E54-T57 PolarHBondContact O-N 3.35Å; T57-A59 PolarHBondContact O-N 2.9Å; T57-T60 PolarHBondContact O-N 3.24Å; T57-T60 PolarHBondContact O-OG1 3.32Å; T57-L172 HydrophobicContact CG2-CD2 3.65Å; T57-D175 HydrophobicContact CG2-CB 4.49Å; T57-D175 WeakPolarHBondContact CG2-OD2 3.33Å
58	R	63	Low	55.7	Low	93 Å²	93	76.7 Å²	76.7	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-26.6	173.6	-73	-172.7	175.1	123.1	4.9	113.1	E54 Y63 E169 L172	E54-R58 WeakPolarHBondContact O-CB 3.47Å; E54-R58 WeakPolarHBondContact O-CG 3.2Å; E54-R58 PolarHBondContact O-N 3.02Å; E54-R58 IonicContact OE1-NH2 3.52Å; E54-R58 IonicContact OE2-CZ 3.92Å; E54-R58 IonicContact OE2-NH1 2.64Å; E54-R58 PolarHBondContact OE2-NH1 3.09Å; E54-R58 IonicContact OE2-NH2 3.7Å; R58-Y63 HydrophobicContact CB-CD1 4.12Å; R58-Y63 HydrophobicContact CB-CE1 4.18Å; R58-Y63 HydrophobicContact CG-CD1 4.17Å; R58-Y63 HydrophobicContact CG-CE1 3.8Å; R58-Y63 HydrophobicContact CG-CE2 4.31Å; R58-E169 IonicContact NH2-OE2 2.78Å; R58-E169 PolarHBondContact NH2-OE2 3.43Å; R58-L172 HydrophobicContact CG-CD1 3.89Å; R58-L172 HydrophobicContact CG-CD2 4.1Å
59	A	56.5	Low	53.9	Low	74 Å²	74	78 Å²	78	61%	0.612	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.5	175.8	0	0	0	0	0	113.8	R55 Y56 T57	R55-A59 WeakPolarHBondContact O-CB 3.4Å; R55-A59 PolarHBondContact O-N 2.89Å; Y56-A59 PolarHBondContact O-N 2.92Å; T57-A59 PolarHBondContact O-N 2.9Å
60	T	56.3	Low	52.2	Low	40 Å²	40	78.5 Å²	78.5	25%	0.245	42%	0.422	C	S	.	.	S	Bend	trans	-74.8	145.6	178.4	58.7	0	0	0	0	111.9	Y56 T57 L62 Y63 N64	Y56-T60 WeakPolarHBondContact O-CG2 3.42Å; Y56-T60 PolarHBondContact O-N 3.18Å; T57-T60 PolarHBondContact O-N 3.24Å; T57-T60 PolarHBondContact O-OG1 3.32Å; T60-L62 PolarHBondContact O-N 2.9Å; T60-Y63 PolarHBondContact O-N 3.36Å; T60-N64 PolarHBondContact O-N 3.24Å
61	A	45.6	Very low	51	Low	34 Å²	34	81.4 Å²	81.4	28%	0.281	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.4	180	0	0	0	0	0	113.3	Y63 N64 F65	A61-Y63 VanDerWaalsContact C-N 3.29Å; A61-Y63 PolarHBondContact O-N 2.95Å; A61-N64 PolarHBondContact O-N 3.16Å; A61-F65 WeakPolarHBondContact O-CD2 3.38Å; A61-F65 PolarHBondContact O-N 3.25Å
62	L	48.8	Very low	49.7	Very low	55 Å²	55	82 Å²	82	29%	0.288	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.6	176.2	-75.9	161.5	0	0	0	113.4	T60	T60-L62 PolarHBondContact O-N 2.9Å
63	Y	49.6	Very low	48.4	Very low	40 Å²	40	80.3 Å²	80.3	16%	0.157	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.2	175.6	-160.7	-97.4	0	0	0	112.3	R58 T60 A61 K168 L172	R58-Y63 HydrophobicContact CB-CD1 4.12Å; R58-Y63 HydrophobicContact CB-CE1 4.18Å; R58-Y63 HydrophobicContact CG-CD1 4.17Å; R58-Y63 HydrophobicContact CG-CE1 3.8Å; R58-Y63 HydrophobicContact CG-CE2 4.31Å; T60-Y63 PolarHBondContact O-N 3.36Å; A61-Y63 VanDerWaalsContact C-N 3.29Å; A61-Y63 PolarHBondContact O-N 2.95Å; Y63-K168 HydrophobicContact CE1-CD 4.49Å; Y63-K168 HydrophobicContact CE2-CB 3.75Å; Y63-K168 HydrophobicContact CE2-CD 4.5Å; Y63-K168 HydrophobicContact CE2-CG 4.47Å; Y63-L172 HydrophobicContact CD2-CD1 4.47Å; Y63-L172 HydrophobicContact CD2-CD2 4.25Å; Y63-L172 HydrophobicContact CD2-CG 4.27Å; Y63-L172 HydrophobicContact CE2-CD1 3.48Å; Y63-L172 VanDerWaalsContact CE2-CD1 3.48Å; Y63-L172 HydrophobicContact CE2-CD2 4.02Å; Y63-L172 HydrophobicContact CE2-CG 3.62Å; Y63-L172 WeakPolarHBondContact OH-CD1 3.17Å
64	N	43.1	Very low	47.1	Very low	113 Å²	113	88 Å²	88	60%	0.604	47%	0.471	S	S	*	.	S	Bend	trans	-103.7	20.3	-174.7	-78.1	-33.3	0	0	0	114.1	T60 A61 G66	T60-N64 PolarHBondContact O-N 3.24Å; A61-N64 PolarHBondContact O-N 3.16Å; N64-G66 VanDerWaalsContact C-N 3.32Å; N64-G66 PolarHBondContact O-N 2.79Å
65	F	45.4	Very low	45.9	Very low	60 Å²	60	97.1 Å²	97.1	26%	0.263	50%	0.503	S	S	.	.			trans	-69.2	90.4	175.2	-104.8	-82.6	0	0	0	110.8	A61 G69	A61-F65 WeakPolarHBondContact O-CD2 3.38Å; A61-F65 PolarHBondContact O-N 3.25Å; F65-G69 VanDerWaalsContact CE1-O 3.28Å; F65-G69 WeakPolarHBondContact CE1-O 3.44Å
66	G	35.3	Very low	44.8	Very low	58 Å²	58	95.6 Å²	95.6	60%	0.598	50%	0.497	S	S	*	.			trans	-72.3	133.4	148.7	0	0	0	0	0	108.2	N64	N64-G66 VanDerWaalsContact C-N 3.32Å; N64-G66 PolarHBondContact O-N 2.79Å
67	C	33.4	Very low	43.9	Very low	61 Å²	61	92.5 Å²	92.5	41%	0.412	49%	0.493	S	S	.	.	S	Bend	trans	-49.8	141.9	-178.7	-66.7	0	0	0	0	112.1	L161	C67-L161 HydrophobicContact CB-CD2 3.59Å; C67-L161 HydrophobicContact CB-CG 4.47Å; C67-L161 WeakPolarHBondContact SG-CD2 3.41Å; C67-L161 VanDerWaalsContact SG-CG 3.54Å
68	C	29	Very low	43.4	Very low	141 Å²	141	93.8 Å²	93.8	95%	0.953	50%	0.502	S	S	*	.			trans	79.4	67.3	-178.5	-53.8	0	0	0	0	115.5
69	G	34.4	Very low	42.7	Very low	42 Å²	42	95.9 Å²	95.9	43%	0.433	52%	0.516	S	S	.	.	S	Bend	trans	-147.9	122	158.8	0	0	0	0	0	109.2	F65 V71	F65-G69 VanDerWaalsContact CE1-O 3.28Å; F65-G69 WeakPolarHBondContact CE1-O 3.44Å; G69-V71 PolarHBondContact O-N 2.99Å
70	E	35.1	Very low	42.3	Very low	144 Å²	144	93.1 Å²	93.1	67%	0.673	49%	0.49	S	S	*	.			trans	-27.6	122.1	174.3	-145.2	175.7	-139.8	0	0	112.4	R72	E70-R72 PolarHBondContact O-N 3.03Å; E70-R72 IonicContact OE2-CZ 3.42Å; E70-R72 VanDerWaalsContact OE2-CZ 3.23Å; E70-R72 IonicContact OE2-NE 3.83Å; E70-R72 PolarHBondContact OE2-NE 3.29Å; E70-R72 IonicContact OE2-NH2 2.76Å; E70-R72 PolarHBondContact OE2-NH2 3.02Å
71	V	41.3	Very low	42.1	Very low	113 Å²	113	91.6 Å²	91.6	69%	0.685	48%	0.481	S	S	*	.			trans	-63.4	74.2	178.5	-176.3	0	0	0	0	109.4	G69 S73	G69-V71 PolarHBondContact O-N 2.99Å; V71-S73 VanDerWaalsContact CG1-OG 3.25Å; V71-S73 WeakPolarHBondContact CG1-OG 3.23Å; V71-S73 PolarHBondContact O-N 3.31Å
72	R	40.1	Very low	42.5	Very low	185 Å²	185	96.3 Å²	96.3	70%	0.698	50%	0.495	S	S	*	.			trans	-85.3	11.9	168.8	-71	-175	-177.2	-174.8	0.5	111	E70 M74 R75	E70-R72 PolarHBondContact O-N 3.03Å; E70-R72 IonicContact OE2-CZ 3.42Å; E70-R72 VanDerWaalsContact OE2-CZ 3.23Å; E70-R72 IonicContact OE2-NE 3.83Å; E70-R72 PolarHBondContact OE2-NE 3.29Å; E70-R72 IonicContact OE2-NH2 2.76Å; E70-R72 PolarHBondContact OE2-NH2 3.02Å; R72-M74 VanDerWaalsContact C-N 3.26Å; R72-M74 PolarHBondContact O-N 2.78Å; R72-R75 PolarHBondContact O-N 2.95Å
73	S	40.1	Very low	42.7	Very low	32 Å²	32	94.6 Å²	94.6	22%	0.224	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	-169.1	57.5	0	0	0	0	114.2	V71	V71-S73 VanDerWaalsContact CG1-OG 3.25Å; V71-S73 WeakPolarHBondContact CG1-OG 3.23Å; V71-S73 PolarHBondContact O-N 3.31Å
74	M	37.9	Very low	42.9	Very low	176 Å²	176	93.3 Å²	93.3	87%	0.867	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-21	174.6	-142.2	167.2	-148.7	0	0	113.9	R72	R72-M74 VanDerWaalsContact C-N 3.26Å; R72-M74 PolarHBondContact O-N 2.78Å
75	R	38.2	Very low	43.3	Very low	237 Å²	237	90.7 Å²	90.7	89%	0.894	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.7	175.7	-87.7	-170.3	-170.2	174.2	5.7	113.9	R72	R72-R75 PolarHBondContact O-N 2.95Å
76	R	42.2	Very low	43.7	Very low	181 Å²	181	93 Å²	93	68%	0.683	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	45.9	169.9	-66.8	-176.1	-177.3	159.9	-0.4	110.2	S78	R76-S78 PolarHBondContact O-N 3.34Å
77	C	43.7	Very low	44.6	Very low	56 Å²	56	90.8 Å²	90.8	38%	0.378	46%	0.461	S	S	.	.			trans	-45	112.5	151.5	-145.4	0	0	0	0	105.4	C81	C77-C81 HydrophobicContact CB-CB 4.07Å; C77-C81 WeakPolarHBondContact SG-CB 3.13Å; C77-C81 VanDerWaalsContact SG-SG 3.62Å
78	S	51.6	Low	45.6	Very low	34 Å²	34	95.4 Å²	95.4	24%	0.238	47%	0.47	C	S	.	.			trans	-49.2	151.7	-163.5	57.7	0	0	0	0	110.6	R76 F80 C81 K82	R76-S78 PolarHBondContact O-N 3.34Å; S78-F80 CarbonylContact O-C 3.59Å; S78-F80 PolarHBondContact O-N 3.38Å; S78-F80 WeakPolarHBondContact OG-CB 3.05Å; S78-C81 VanDerWaalsContact O-CA 3.32Å; S78-C81 WeakPolarHBondContact O-CA 3.49Å; S78-C81 VanDerWaalsContact O-CB 3.28Å; S78-C81 WeakPolarHBondContact O-CB 3.28Å; S78-C81 PolarHBondContact O-N 3.5Å; S78-K82 PolarHBondContact O-N 2.71Å; S78-K82 VanDerWaalsContact O-N 3.15Å
79	E	48.6	Very low	46.7	Very low	138 Å²	138	96.1 Å²	96.1	65%	0.645	46%	0.457	S	S	*	.	H	α-helix	trans	-54.2	-23.2	176.5	-74.3	-179.9	141.4	0	0	112.6	K82 T83	E79-K82 PolarHBondContact O-N 3.49Å; E79-T83 PolarHBondContact O-N 3.02Å; E79-T83 PolarHBondContact O-OG1 3.08Å
80	F	49.2	Very low	47.5	Very low	15 Å²	15	96 Å²	96	7%	0.066	45%	0.449	C	S	.	.	H	α-helix	trans	-51.7	-60.8	162.5	-163.5	-109.7	0	0	0	111.2	F48 Y53 S78 K82 T83 F84 Y146 V179	F48-F80 HydrophobicContact CE1-CE2 4.21Å; Y53-F80 AromaticContact CE2-CD2 3.98Å; Y53-F80 HydrophobicContact CE2-CD2 3.98Å; Y53-F80 HydrophobicContact CE2-CE2 4.09Å; Y53-F80 HydrophobicContact CE2-CG 4.45Å; S78-F80 CarbonylContact O-C 3.59Å; S78-F80 PolarHBondContact O-N 3.38Å; S78-F80 WeakPolarHBondContact OG-CB 3.05Å; F80-K82 VanDerWaalsContact C-N 3.28Å; F80-K82 PolarHBondContact O-N 3.07Å; F80-T83 WeakPolarHBondContact O-CB 3.47Å; F80-T83 PolarHBondContact O-N 3.18Å; F80-F84 AromaticContact CD1-CD2 3.92Å; F80-F84 HydrophobicContact CD1-CD2 3.92Å; F80-F84 AromaticContact CD1-CE2 3.74Å; F80-F84 HydrophobicContact CD1-CE2 3.74Å; F80-F84 HydrophobicContact CD2-CD2 4.48Å; F80-F84 HydrophobicContact CD2-CE2 4.15Å; F80-F84 HydrophobicContact CE1-CD2 4.01Å; F80-F84 AromaticContact CE1-CE2 3.36Å; F80-F84 HydrophobicContact CE1-CE2 3.36Å; F80-F84 HydrophobicContact CE1-CZ 4.13Å; F80-F84 AromaticContact CE2-CE2 3.78Å; F80-F84 HydrophobicContact CE2-CE2 3.78Å; F80-F84 HydrophobicContact CG-CD2 4.19Å; F80-F84 HydrophobicContact CG-CE2 4.14Å; F80-F84 HydrophobicContact CZ-CD2 4.33Å; F80-F84 AromaticContact CZ-CE2 3.39Å; F80-F84 HydrophobicContact CZ-CE2 3.39Å; F80-F84 HydrophobicContact CZ-CZ 4.11Å; F80-F84 VanDerWaalsContact O-CD2 3.26Å; F80-F84 WeakPolarHBondContact O-CD2 3.23Å; F80-F84 PolarHBondContact O-N 3.35Å; F80-Y146 HydrophobicContact CD1-CE1 4.18Å; F80-Y146 HydrophobicContact CE1-CE1 4.18Å; F80-V179 HydrophobicContact CE1-CG2 4.29Å; F80-V179 HydrophobicContact CE2-CB 4.33Å; F80-V179 HydrophobicContact CE2-CG1 4.18Å; F80-V179 HydrophobicContact CE2-CG2 3.52Å; F80-V179 HydrophobicContact CZ-CB 4.17Å; F80-V179 HydrophobicContact CZ-CG1 4.45Å; F80-V179 HydrophobicContact CZ-CG2 3.35Å
81	C	51.3	Low	48.2	Very low	9 Å²	9	91.2 Å²	91.2	6%	0.061	43%	0.43	C	S	.	.	H	α-helix	trans	-54.4	-34.8	174	-82.1	0	0	0	0	114.8	C77 S78 F84 C85 R147	C77-C81 HydrophobicContact CB-CB 4.07Å; C77-C81 WeakPolarHBondContact SG-CB 3.13Å; C77-C81 VanDerWaalsContact SG-SG 3.62Å; S78-C81 VanDerWaalsContact O-CA 3.32Å; S78-C81 WeakPolarHBondContact O-CA 3.49Å; S78-C81 VanDerWaalsContact O-CB 3.28Å; S78-C81 WeakPolarHBondContact O-CB 3.28Å; S78-C81 PolarHBondContact O-N 3.5Å; C81-F84 PolarHBondContact O-N 3.35Å; C81-C85 WeakPolarHBondContact O-CB 3.34Å; C81-C85 PolarHBondContact O-N 3.37Å; C81-C85 PolarHBondContact O-SG 2.85Å; C81-R147 PolarHBondContact O-NH2 3.13Å; C81-R147 PolarHBondContact SG-NE 3.01Å
82	K	54.4	Low	48.6	Very low	133 Å²	133	91.3 Å²	91.3	58%	0.578	43%	0.426	S	S	*	.	H	α-helix	trans	-68.2	-43.2	173.9	-81	-179.7	177.7	174.1	0	112.5	S78 E79 F80 F84 C85 N86	S78-K82 PolarHBondContact O-N 2.71Å; S78-K82 VanDerWaalsContact O-N 3.15Å; E79-K82 PolarHBondContact O-N 3.49Å; F80-K82 VanDerWaalsContact C-N 3.28Å; F80-K82 PolarHBondContact O-N 3.07Å; K82-F84 PolarHBondContact O-N 3.04Å; K82-C85 PolarHBondContact O-N 3.06Å; K82-N86 PolarHBondContact O-N 3.38Å; K82-N86 VanDerWaalsContact O-N 3.13Å
83	T	52.4	Low	49.1	Very low	19 Å²	19	83 Å²	83	12%	0.117	40%	0.396	C	S	.	.	H	α-helix	trans	-59.4	-38.6	174.6	-51.2	0	0	0	0	110.6	I42 K47 F48 E79 F80 N86 F87	I42-T83 HydrophobicContact CG2-CG2 4.43Å; K47-T83 WeakPolarHBondContact CE-OG1 3.29Å; K47-T83 VanDerWaalsContact NZ-CG2 3.34Å; K47-T83 PolarHBondContact NZ-OG1 3.26Å; F48-T83 HydrophobicContact CE2-CG2 4.05Å; F48-T83 HydrophobicContact CZ-CG2 4.11Å; E79-T83 PolarHBondContact O-N 3.02Å; E79-T83 PolarHBondContact O-OG1 3.08Å; F80-T83 WeakPolarHBondContact O-CB 3.47Å; F80-T83 PolarHBondContact O-N 3.18Å; T83-N86 WeakPolarHBondContact O-CB 3.25Å; T83-N86 PolarHBondContact O-N 3.43Å; T83-F87 PolarHBondContact O-N 3.29Å
84	F	53.5	Low	49.8	Very low	13 Å²	13	82.5 Å²	82.5	6%	0.057	39%	0.392	C	S	.	.	H	α-helix	trans	-73.7	-36.1	175.9	-90.6	-78.5	0	0	0	115	F80 C81 K82 N86 F87 R88 W142 I143 L182	F80-F84 AromaticContact CD1-CD2 3.92Å; F80-F84 HydrophobicContact CD1-CD2 3.92Å; F80-F84 AromaticContact CD1-CE2 3.74Å; F80-F84 HydrophobicContact CD1-CE2 3.74Å; F80-F84 HydrophobicContact CD2-CD2 4.48Å; F80-F84 HydrophobicContact CD2-CE2 4.15Å; F80-F84 HydrophobicContact CE1-CD2 4.01Å; F80-F84 AromaticContact CE1-CE2 3.36Å; F80-F84 HydrophobicContact CE1-CE2 3.36Å; F80-F84 HydrophobicContact CE1-CZ 4.13Å; F80-F84 AromaticContact CE2-CE2 3.78Å; F80-F84 HydrophobicContact CE2-CE2 3.78Å; F80-F84 HydrophobicContact CG-CD2 4.19Å; F80-F84 HydrophobicContact CG-CE2 4.14Å; F80-F84 HydrophobicContact CZ-CD2 4.33Å; F80-F84 AromaticContact CZ-CE2 3.39Å; F80-F84 HydrophobicContact CZ-CE2 3.39Å; F80-F84 HydrophobicContact CZ-CZ 4.11Å; F80-F84 VanDerWaalsContact O-CD2 3.26Å; F80-F84 WeakPolarHBondContact O-CD2 3.23Å; F80-F84 PolarHBondContact O-N 3.35Å; C81-F84 PolarHBondContact O-N 3.35Å; K82-F84 PolarHBondContact O-N 3.04Å; F84-N86 PolarHBondContact O-N 2.92Å; F84-F87 CarbonylContact O-C 3.43Å; F84-F87 WeakPolarHBondContact O-CA 3.39Å; F84-F87 VanDerWaalsContact O-CB 3.23Å; F84-F87 WeakPolarHBondContact O-CB 3.27Å; F84-F87 PolarHBondContact O-N 3.28Å; F84-R88 PolarHBondContact O-N 3.4Å; F84-W142 HydrophobicContact CE1-CZ3 4.42Å; F84-W142 HydrophobicContact CZ-CZ3 4.01Å; F84-I143 HydrophobicContact CB-CG2 4.48Å; F84-I143 HydrophobicContact CD1-CD1 3.33Å; F84-I143 HydrophobicContact CD1-CG1 3.51Å; F84-I143 HydrophobicContact CD1-CG2 4.28Å; F84-I143 HydrophobicContact CE1-CD1 3.5Å; F84-I143 VanDerWaalsContact CE1-CD1 3.5Å; F84-I143 HydrophobicContact CE1-CG1 3.38Å; F84-I143 HydrophobicContact CG-CD1 4.5Å; F84-I143 HydrophobicContact CG-CG1 4.5Å; F84-I143 HydrophobicContact CZ-CG1 4.31Å; F84-L182 HydrophobicContact CE1-CD1 3.27Å; F84-L182 HydrophobicContact CE1-CD2 3.69Å; F84-L182 HydrophobicContact CE1-CG 3.97Å; F84-L182 HydrophobicContact CE2-CD2 3.51Å; F84-L182 HydrophobicContact CZ-CB 4.25Å; F84-L182 HydrophobicContact CZ-CD1 3.33Å; F84-L182 HydrophobicContact CZ-CD2 2.94Å; F84-L182 HydrophobicContact CZ-CG 3.53Å
85	C	53.2	Low	50.6	Low	58 Å²	58	83.3 Å²	83.3	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-28.3	170.2	-84.7	0	0	0	0	111.6	C81 K82 R88 R147	C81-C85 WeakPolarHBondContact O-CB 3.34Å; C81-C85 PolarHBondContact O-N 3.37Å; C81-C85 PolarHBondContact O-SG 2.85Å; K82-C85 PolarHBondContact O-N 3.06Å; C85-R88 WeakPolarHBondContact O-CB 3.49Å; C85-R88 PolarHBondContact O-N 3.24Å; C85-R147 PolarHBondContact SG-NH2 2.94Å
86	N	52.8	Low	51.6	Low	107 Å²	107	75.6 Å²	75.6	57%	0.572	36%	0.359	S	S	*	.	H	α-helix	trans	-70.8	-33.8	169.8	-70.8	-24.7	0	0	0	112	K82 T83 F84 R88 K89	K82-N86 PolarHBondContact O-N 3.38Å; K82-N86 VanDerWaalsContact O-N 3.13Å; T83-N86 WeakPolarHBondContact O-CB 3.25Å; T83-N86 PolarHBondContact O-N 3.43Å; F84-N86 PolarHBondContact O-N 2.92Å; N86-R88 PolarHBondContact O-N 3.31Å; N86-K89 WeakPolarHBondContact O-CB 3.21Å; N86-K89 PolarHBondContact O-N 2.99Å
87	F	54.8	Low	52.5	Low	13 Å²	13	67.1 Å²	67.1	6%	0.057	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-27.2	170.7	-152.4	-92.9	0	0	0	112.5	I39 I42 T83 F84 K89 S90 V91 I139 L186 L189	I39-F87 HydrophobicContact CD1-CZ 4.46Å; I39-F87 HydrophobicContact CG1-CE2 4.07Å; I39-F87 HydrophobicContact CG1-CZ 4.46Å; I42-F87 HydrophobicContact CD1-CD2 4.38Å; T83-F87 PolarHBondContact O-N 3.29Å; F84-F87 CarbonylContact O-C 3.43Å; F84-F87 WeakPolarHBondContact O-CA 3.39Å; F84-F87 VanDerWaalsContact O-CB 3.23Å; F84-F87 WeakPolarHBondContact O-CB 3.27Å; F84-F87 PolarHBondContact O-N 3.28Å; F87-K89 PolarHBondContact O-N 3.24Å; F87-S90 VanDerWaalsContact O-CA 3.27Å; F87-S90 WeakPolarHBondContact O-CA 3.48Å; F87-S90 WeakPolarHBondContact O-CB 3.38Å; F87-S90 PolarHBondContact O-N 3.29Å; F87-S90 PolarHBondContact O-OG 3.25Å; F87-V91 PolarHBondContact O-N 2.9Å; F87-I139 HydrophobicContact CE1-CG2 4.44Å; F87-L186 HydrophobicContact CD2-CD2 4.47Å; F87-L186 HydrophobicContact CE1-CD2 4.16Å; F87-L186 HydrophobicContact CE2-CD2 3.58Å; F87-L186 HydrophobicContact CZ-CD2 3.39Å; F87-L189 HydrophobicContact CZ-CD2 4.32Å
88	R	53	Low	53.8	Low	158 Å²	158	66.3 Å²	66.3	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-60	-30.1	171.2	-165.7	-179.4	163.6	141.1	-2.5	112.4	F84 C85 N86 S90 V91	F84-R88 PolarHBondContact O-N 3.4Å; C85-R88 WeakPolarHBondContact O-CB 3.49Å; C85-R88 PolarHBondContact O-N 3.24Å; N86-R88 PolarHBondContact O-N 3.31Å; R88-S90 VanDerWaalsContact C-N 3.26Å; R88-S90 PolarHBondContact O-N 3.38Å; R88-V91 VanDerWaalsContact O-CB 3.27Å; R88-V91 WeakPolarHBondContact O-CB 3.43Å; R88-V91 VanDerWaalsContact O-CG2 3.3Å; R88-V91 WeakPolarHBondContact O-CG2 3.13Å; R88-V91 PolarHBondContact O-N 2.85Å; R88-V91 VanDerWaalsContact O-N 3.14Å
89	K	53.2	Low	55.3	Low	155 Å²	155	66.4 Å²	66.4	67%	0.674	32%	0.317	S	S	*	.	H	α-helix	trans	-69	-27.4	170.7	-68.6	-176.1	177	179	0	111.6	N86 F87 V91 L92	N86-K89 WeakPolarHBondContact O-CB 3.21Å; N86-K89 PolarHBondContact O-N 2.99Å; F87-K89 PolarHBondContact O-N 3.24Å; K89-V91 PolarHBondContact O-N 3.46Å; K89-L92 WeakPolarHBondContact O-CB 3.31Å; K89-L92 PolarHBondContact O-N 3.44Å
90	S	51.6	Low	57	Low	39 Å²	39	59.9 Å²	59.9	27%	0.273	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.9	170.5	-41	0	0	0	0	113.3	F87 R88 L92 V93	F87-S90 VanDerWaalsContact O-CA 3.27Å; F87-S90 WeakPolarHBondContact O-CA 3.48Å; F87-S90 WeakPolarHBondContact O-CB 3.38Å; F87-S90 PolarHBondContact O-N 3.29Å; F87-S90 PolarHBondContact O-OG 3.25Å; R88-S90 VanDerWaalsContact C-N 3.26Å; R88-S90 PolarHBondContact O-N 3.38Å; S90-L92 PolarHBondContact O-N 3.38Å; S90-V93 WeakPolarHBondContact O-CB 3.39Å; S90-V93 WeakPolarHBondContact O-CG2 3.05Å; S90-V93 PolarHBondContact O-N 3Å
91	V	48.6	Very low	58.9	Low	45 Å²	45	60 Å²	60	27%	0.273	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.5	170.3	-174.8	0	0	0	0	111.6	F87 R88 K89 V93 C94 L140	F87-V91 PolarHBondContact O-N 2.9Å; R88-V91 VanDerWaalsContact O-CB 3.27Å; R88-V91 WeakPolarHBondContact O-CB 3.43Å; R88-V91 VanDerWaalsContact O-CG2 3.3Å; R88-V91 WeakPolarHBondContact O-CG2 3.13Å; R88-V91 PolarHBondContact O-N 2.85Å; R88-V91 VanDerWaalsContact O-N 3.14Å; K89-V91 PolarHBondContact O-N 3.46Å; V91-V93 PolarHBondContact O-N 3.32Å; V91-V93 VanDerWaalsContact O-N 3.13Å; V91-C94 WeakPolarHBondContact O-CB 3.38Å; V91-C94 PolarHBondContact O-N 3.35Å; V91-L140 HydrophobicContact CB-CD1 4.19Å; V91-L140 HydrophobicContact CG1-CD1 3.73Å; V91-L140 HydrophobicContact CG2-CD1 3.34Å; V91-L140 HydrophobicContact CG2-CD2 3.26Å; V91-L140 HydrophobicContact CG2-CG 3.85Å
92	L	49.6	Very low	60.6	Low	115 Å²	115	65.4 Å²	65.4	60%	0.602	31%	0.308	S	S	*	.	H	α-helix	trans	-59.4	-20.4	166.1	-100.8	108.6	0	0	0	112.6	K89 S90 C94 R95 E96	K89-L92 WeakPolarHBondContact O-CB 3.31Å; K89-L92 PolarHBondContact O-N 3.44Å; S90-L92 PolarHBondContact O-N 3.38Å; L92-C94 PolarHBondContact O-N 2.95Å; L92-R95 WeakPolarHBondContact O-CB 3.43Å; L92-R95 PolarHBondContact O-N 3.49Å; L92-E96 PolarHBondContact O-N 2.93Å
93	V	52.3	Low	62.3	Low	10 Å²	10	59.5 Å²	59.5	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-28.7	174	-176.6	0	0	0	0	111.6	H35 S90 V91 R95 E96 K97 F193	H35-V93 WeakPolarHBondContact CE1-CG2 3.47Å; H35-V93 WeakPolarHBondContact NE2-CG2 3.2Å; S90-V93 WeakPolarHBondContact O-CB 3.39Å; S90-V93 WeakPolarHBondContact O-CG2 3.05Å; S90-V93 PolarHBondContact O-N 3Å; V91-V93 PolarHBondContact O-N 3.32Å; V91-V93 VanDerWaalsContact O-N 3.13Å; V93-R95 VanDerWaalsContact C-N 3.29Å; V93-R95 PolarHBondContact O-N 3Å; V93-E96 PolarHBondContact O-N 3.33Å; V93-K97 HydrophobicContact CG1-CD 4.21Å; V93-K97 HydrophobicContact CG1-CG 4.37Å; V93-K97 WeakPolarHBondContact O-CG 3.27Å; V93-K97 PolarHBondContact O-N 3.46Å; V93-F193 HydrophobicContact CG1-CZ 4.1Å
94	C	54.4	Low	64	Low	21 Å²	21	58.6 Å²	58.6	14%	0.142	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-35.3	172.3	-70.3	0	0	0	0	112	V91 L92 K97 T98 I136	V91-C94 WeakPolarHBondContact O-CB 3.38Å; V91-C94 PolarHBondContact O-N 3.35Å; L92-C94 PolarHBondContact O-N 2.95Å; C94-K97 PolarHBondContact O-N 3.41Å; C94-T98 PolarHBondContact O-N 3.11Å; C94-I136 VanDerWaalsContact SG-CG2 3.56Å
95	R	54.4	Low	65.8	Low	194 Å²	194	61.8 Å²	61.8	73%	0.732	30%	0.297	S	S	*	.	H	α-helix	trans	-67.9	-42.9	177	-86.1	-174.5	162.9	180	-4.6	112	L92 V93 T98	L92-R95 WeakPolarHBondContact O-CB 3.43Å; L92-R95 PolarHBondContact O-N 3.49Å; V93-R95 VanDerWaalsContact C-N 3.29Å; V93-R95 PolarHBondContact O-N 3Å; R95-T98 PolarHBondContact O-N 2.92Å; R95-T98 PolarHBondContact O-OG1 3.42Å
96	E	59.3	Low	67.4	Low	75 Å²	75	63.1 Å²	63.1	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-66.3	-38	178.2	-73	-68.3	134.1	0	0	111.5	L27 L92 V93 T98 K99	L27-E96 VanDerWaalsContact CD1-C 3.44Å; L27-E96 HydrophobicContact CD1-CB 3.71Å; L27-E96 WeakPolarHBondContact CD1-O 3.4Å; L92-E96 PolarHBondContact O-N 2.93Å; V93-E96 PolarHBondContact O-N 3.33Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.03Å; E96-K99 VanDerWaalsContact O-CB 3.23Å; E96-K99 WeakPolarHBondContact O-CB 3.3Å; E96-K99 VanDerWaalsContact O-CG 3.3Å; E96-K99 WeakPolarHBondContact O-CG 3.27Å; E96-K99 PolarHBondContact O-N 2.96Å; E96-K99 IonicContact OE1-NZ 3.72Å; E96-K99 PolarHBondContact OE1-NZ 2.85Å; E96-K99 WeakPolarHBondContact OE2-CE 3.05Å; E96-K99 IonicContact OE2-NZ 3.92Å; E96-K99 PolarHBondContact OE2-NZ 2.84Å
97	K	61.5	Low	69.1	Low	2 Å²	2	60.1 Å²	60.1	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-29.3	178.8	-78.5	176.6	175.2	174.8	0	115.4	F32 V93 C94 K99 L100 S101 I132 F193	F32-K97 HydrophobicContact CE1-CD 4.47Å; F32-K97 HydrophobicContact CE1-CG 3.85Å; F32-K97 HydrophobicContact CZ-CG 4.09Å; V93-K97 HydrophobicContact CG1-CD 4.21Å; V93-K97 HydrophobicContact CG1-CG 4.37Å; V93-K97 WeakPolarHBondContact O-CG 3.27Å; V93-K97 PolarHBondContact O-N 3.46Å; C94-K97 PolarHBondContact O-N 3.41Å; K97-K99 PolarHBondContact O-N 2.83Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-L100 VanDerWaalsContact O-N 3.07Å; K97-S101 PolarHBondContact O-N 3.05Å; K97-I132 HydrophobicContact CD-CG2 4.22Å; K97-F193 HydrophobicContact CD-CE1 4.46Å
98	T	71.1	Confident	70.8	Confident	39 Å²	39	62.3 Å²	62.3	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-15.2	173.1	57.6	0	0	0	0	112.9	C94 R95 E96 S101 R102	C94-T98 PolarHBondContact O-N 3.11Å; R95-T98 PolarHBondContact O-N 2.92Å; R95-T98 PolarHBondContact O-OG1 3.42Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.03Å; T98-S101 WeakPolarHBondContact CA-OG 3.34Å; T98-S101 PolarHBondContact O-OG 3.01Å; T98-R102 VanDerWaalsContact O-CB 3.23Å; T98-R102 WeakPolarHBondContact O-CB 3.42Å; T98-R102 VanDerWaalsContact O-CD 3.28Å; T98-R102 WeakPolarHBondContact O-CD 3.4Å; T98-R102 WeakPolarHBondContact O-CG 3.48Å; T98-R102 PolarHBondContact O-N 3.42Å; T98-R102 VanDerWaalsContact O-N 3.08Å; T98-R102 PolarHBondContact OG1-NH2 2.96Å
99	K	82	Confident	72.5	Confident	37 Å²	37	56.7 Å²	56.7	16%	0.161	28%	0.276	C	S	.	.	H	α-helix	trans	-71.5	-42.9	173.9	-59.5	174.6	-177.3	176.9	0	111.8	L20 Q23 S24 E96 K97 R102 W103	L20-K99 HydrophobicContact CD1-CB 4Å; L20-K99 HydrophobicContact CD1-CG 4.36Å; Q23-K99 HydrophobicContact CB-CD 4.2Å; Q23-K99 VanDerWaalsContact OE1-CD 3.31Å; S24-K99 PolarHBondContact OG-O 3.21Å; E96-K99 VanDerWaalsContact O-CB 3.23Å; E96-K99 WeakPolarHBondContact O-CB 3.3Å; E96-K99 VanDerWaalsContact O-CG 3.3Å; E96-K99 WeakPolarHBondContact O-CG 3.27Å; E96-K99 PolarHBondContact O-N 2.96Å; E96-K99 IonicContact OE1-NZ 3.72Å; E96-K99 PolarHBondContact OE1-NZ 2.85Å; E96-K99 WeakPolarHBondContact OE2-CE 3.05Å; E96-K99 IonicContact OE2-NZ 3.92Å; E96-K99 PolarHBondContact OE2-NZ 2.84Å; K97-K99 PolarHBondContact O-N 2.83Å; K99-R102 PolarHBondContact O-N 3.36Å; K99-W103 WeakPolarHBondContact O-CB 3.49Å; K99-W103 PolarHBondContact O-N 3.35Å
100	L	85.1	Confident	74.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-47.5	178.4	-179.3	65.3	0	0	0	111.1	L27 L28 F32 K97 W103 I104 V129 L196	L27-L100 HydrophobicContact CD2-CB 4.04Å; L27-L100 HydrophobicContact CD2-CD2 4.33Å; L28-L100 HydrophobicContact CD1-CD1 3.87Å; L28-L100 HydrophobicContact CD2-CD1 4.36Å; L28-L100 HydrophobicContact CD2-CD2 3.94Å; L28-L100 HydrophobicContact CG-CD1 4.16Å; L28-L100 HydrophobicContact CG-CD2 4.48Å; F32-L100 HydrophobicContact CE2-CD2 4.17Å; F32-L100 HydrophobicContact CZ-CD2 4.15Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-L100 VanDerWaalsContact O-N 3.07Å; L100-W103 HydrophobicContact CD1-CE3 3.8Å; L100-W103 HydrophobicContact CD1-CZ3 4.08Å; L100-W103 PolarHBondContact O-N 2.93Å; L100-I104 HydrophobicContact CD1-CD1 4.21Å; L100-I104 HydrophobicContact CG-CD1 4.11Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 3.21Å; L100-V129 HydrophobicContact CD2-CG2 3.76Å; L100-V129 HydrophobicContact CG-CG2 4.21Å; L100-L196 HydrophobicContact CD2-CD2 3.96Å; L100-L196 HydrophobicContact CD2-CG 4.48Å
101	S	88.7	Confident	75.9	Confident	19 Å²	19	64 Å²	64	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-44.7	177.2	57.7	0	0	0	0	111.6	K97 T98 W103 I104 V105 L126	K97-S101 PolarHBondContact O-N 3.05Å; T98-S101 WeakPolarHBondContact CA-OG 3.34Å; T98-S101 PolarHBondContact O-OG 3.01Å; S101-W103 VanDerWaalsContact C-N 3.3Å; S101-W103 PolarHBondContact O-N 3.11Å; S101-I104 PolarHBondContact O-N 3.28Å; S101-V105 VanDerWaalsContact O-CG2 3.29Å; S101-V105 WeakPolarHBondContact O-CG2 3.36Å; S101-V105 PolarHBondContact O-N 2.96Å; S101-L126 WeakPolarHBondContact O-CD2 3.44Å
102	R	87.7	Confident	77.5	Confident	122 Å²	122	67 Å²	67	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-42.4	174.5	-74.8	171.3	-162.3	147.6	9.1	111.9	L20 T98 K99 V105 F106	L20-R102 HydrophobicContact CD2-CB 3.96Å; T98-R102 VanDerWaalsContact O-CB 3.23Å; T98-R102 WeakPolarHBondContact O-CB 3.42Å; T98-R102 VanDerWaalsContact O-CD 3.28Å; T98-R102 WeakPolarHBondContact O-CD 3.4Å; T98-R102 WeakPolarHBondContact O-CG 3.48Å; T98-R102 PolarHBondContact O-N 3.42Å; T98-R102 VanDerWaalsContact O-N 3.08Å; T98-R102 PolarHBondContact OG1-NH2 2.96Å; K99-R102 PolarHBondContact O-N 3.36Å; R102-V105 PolarHBondContact O-N 3.13Å; R102-F106 WeakPolarHBondContact O-CD2 3.43Å; R102-F106 PolarHBondContact O-N 3.03Å
103	W	89.6	Confident	79.1	Confident	8 Å²	8	69 Å²	69	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-48.6	178.5	176.2	50.3	0	0	0	111.5	L20 Q21 S24 I25 L28 K99 L100 S101 V105 F106 L107 M204 T208	L20-W103 HydrophobicContact CD2-CB 4.11Å; L20-W103 HydrophobicContact CG-CB 4.09Å; Q21-W103 HydrophobicContact CG-CZ2 3.81Å; S24-W103 VanDerWaalsContact CB-CE3 3.49Å; S24-W103 VanDerWaalsContact OG-CB 3.28Å; S24-W103 WeakPolarHBondContact OG-CB 3.37Å; I25-W103 HydrophobicContact CG1-CH2 4.31Å; L28-W103 HydrophobicContact CD1-CZ3 4.47Å; K99-W103 WeakPolarHBondContact O-CB 3.49Å; K99-W103 PolarHBondContact O-N 3.35Å; L100-W103 HydrophobicContact CD1-CE3 3.8Å; L100-W103 HydrophobicContact CD1-CZ3 4.08Å; L100-W103 PolarHBondContact O-N 2.93Å; S101-W103 VanDerWaalsContact C-N 3.3Å; S101-W103 PolarHBondContact O-N 3.11Å; W103-V105 VanDerWaalsContact C-N 3.34Å; W103-V105 PolarHBondContact O-N 3.16Å; W103-F106 WeakPolarHBondContact O-CB 3.27Å; W103-F106 PolarHBondContact O-N 3.25Å; W103-F106 VanDerWaalsContact O-N 3.13Å; W103-L107 HydrophobicContact CD2-CD1 4.1Å; W103-L107 HydrophobicContact CG-CD1 4.45Å; W103-L107 HydrophobicContact CZ2-CD1 3.99Å; W103-L107 WeakPolarHBondContact O-CG 3.5Å; W103-L107 PolarHBondContact O-N 2.96Å; W103-M204 HydrophobicContact CH2-CE 3.29Å; W103-M204 HydrophobicContact CH2-SD 4.07Å; W103-M204 HydrophobicContact CZ2-CE 4.13Å; W103-M204 HydrophobicContact CZ3-CE 3.89Å; W103-T208 HydrophobicContact CZ2-CG2 4.18Å
104	I	87.5	Confident	80.5	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-42.7	178.3	-61.8	165.3	0	0	0	110.7	L100 S101 F106 L107 I108 Q122 A125 L126 I207	L100-I104 HydrophobicContact CD1-CD1 4.21Å; L100-I104 HydrophobicContact CG-CD1 4.11Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 3.21Å; S101-I104 PolarHBondContact O-N 3.28Å; I104-F106 VanDerWaalsContact C-N 3.25Å; I104-F106 PolarHBondContact O-N 3.38Å; I104-L107 WeakPolarHBondContact O-CA 3.24Å; I104-L107 WeakPolarHBondContact O-CB 3.17Å; I104-L107 PolarHBondContact O-N 3.39Å; I104-I108 PolarHBondContact O-N 3.48Å; I104-Q122 HydrophobicContact CG2-CB 3.92Å; I104-Q122 HydrophobicContact CG2-CG 4.31Å; I104-A125 HydrophobicContact CD1-CB 3.88Å; I104-L126 HydrophobicContact CB-CD2 3.85Å; I104-L126 HydrophobicContact CB-CG 4.16Å; I104-L126 HydrophobicContact CD1-CD2 4.45Å; I104-L126 HydrophobicContact CG2-CD1 4.08Å; I104-L126 HydrophobicContact CG2-CD2 3.99Å; I104-L126 HydrophobicContact CG2-CG 3.71Å; I104-I207 HydrophobicContact CG1-CG2 4.24Å
105	V	90.7	Very high	81.9	Confident	81 Å²	81	74.2 Å²	74.2	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-57.5	-37.9	175.2	169.4	0	0	0	0	111.9	S101 R102 W103 L107 I108 L126	S101-V105 VanDerWaalsContact O-CG2 3.29Å; S101-V105 WeakPolarHBondContact O-CG2 3.36Å; S101-V105 PolarHBondContact O-N 2.96Å; R102-V105 PolarHBondContact O-N 3.13Å; W103-V105 VanDerWaalsContact C-N 3.34Å; W103-V105 PolarHBondContact O-N 3.16Å; V105-L107 PolarHBondContact O-N 3.17Å; V105-I108 PolarHBondContact O-N 3.45Å; V105-L126 HydrophobicContact CG2-CD1 3.87Å; V105-L126 HydrophobicContact CG2-CD2 4Å
106	F	87.9	Confident	83.5	Confident	86 Å²	86	67.8 Å²	67.8	38%	0.377	35%	0.353	S	S	.	.	H	α-helix	trans	-68.4	-21.8	175.6	-87.7	-65.5	0	0	0	114.5	W16 L20 R102 W103 I104	W16-F106 HydrophobicContact CE3-CE2 4.42Å; W16-F106 HydrophobicContact CE3-CZ 4.46Å; W16-F106 HydrophobicContact CH2-CD2 4.43Å; W16-F106 AromaticContact CH2-CE2 3.41Å; W16-F106 HydrophobicContact CH2-CE2 3.41Å; W16-F106 VanDerWaalsContact CH2-CE2 3.41Å; W16-F106 AromaticContact CH2-CZ 3.79Å; W16-F106 HydrophobicContact CH2-CZ 3.79Å; W16-F106 HydrophobicContact CZ3-CD2 4.18Å; W16-F106 HydrophobicContact CZ3-CE1 4.24Å; W16-F106 AromaticContact CZ3-CE2 3.26Å; W16-F106 HydrophobicContact CZ3-CE2 3.26Å; W16-F106 AromaticContact CZ3-CZ 3.32Å; W16-F106 HydrophobicContact CZ3-CZ 3.32Å; L20-F106 HydrophobicContact CD2-CD2 3.82Å; L20-F106 HydrophobicContact CD2-CE2 4.28Å; R102-F106 WeakPolarHBondContact O-CD2 3.43Å; R102-F106 PolarHBondContact O-N 3.03Å; W103-F106 WeakPolarHBondContact O-CB 3.27Å; W103-F106 PolarHBondContact O-N 3.25Å; W103-F106 VanDerWaalsContact O-N 3.13Å; I104-F106 VanDerWaalsContact C-N 3.25Å; I104-F106 PolarHBondContact O-N 3.38Å
107	L	88.7	Confident	85	Confident	43 Å²	43	69.7 Å²	69.7	23%	0.225	37%	0.365	C	S	.	.	H	α-helix	trans	-87.1	-10.2	177.7	-63	170.7	0	0	0	112.4	W103 I104 V105 P109 Q122 I207 T208	W103-L107 HydrophobicContact CD2-CD1 4.1Å; W103-L107 HydrophobicContact CG-CD1 4.45Å; W103-L107 HydrophobicContact CZ2-CD1 3.99Å; W103-L107 WeakPolarHBondContact O-CG 3.5Å; W103-L107 PolarHBondContact O-N 2.96Å; I104-L107 WeakPolarHBondContact O-CA 3.24Å; I104-L107 WeakPolarHBondContact O-CB 3.17Å; I104-L107 PolarHBondContact O-N 3.39Å; V105-L107 PolarHBondContact O-N 3.17Å; L107-P109 WeakPolarHBondContact O-CD 3.37Å; L107-Q122 VanDerWaalsContact C-NE2 3.33Å; L107-Q122 PolarHBondContact O-NE2 3.43Å; L107-I207 HydrophobicContact CD1-CG2 4.11Å; L107-I207 WeakPolarHBondContact CD1-O 3.25Å; L107-T208 HydrophobicContact CD1-CG2 4.44Å
108	I	89.2	Confident	86.4	Confident	60 Å²	60	69.8 Å²	69.8	31%	0.308	37%	0.366	S	S	.	.			trans	-67.2	120.5	177	-63.4	177.3	0	0	0	108.7	I104 V105 V119 Q122 L126	I104-I108 PolarHBondContact O-N 3.48Å; V105-I108 PolarHBondContact O-N 3.45Å; I108-V119 HydrophobicContact CG2-CG1 4.45Å; I108-Q122 HydrophobicContact CG1-CB 4.5Å; I108-L126 HydrophobicContact CD1-CD1 3.84Å
109	P	89.5	Confident	87.4	Confident	40 Å²	40	68.6 Å²	68.6	26%	0.26	36%	0.359	S	S	.	.			trans	-77.4	176	-177.5	34.4	-35.6	0	0	0	110.6	L107 M111 V119 P210	L107-P109 WeakPolarHBondContact O-CD 3.37Å; P109-M111 PolarHBondContact O-N 3.14Å; P109-V119 HydrophobicContact CG-CG2 3.67Å; P109-P210 HydrophobicContact CG-CG 3.82Å
110	K	87.7	Confident	87.9	Confident	168 Å²	168	70.6 Å²	70.6	73%	0.73	37%	0.374	S	S	*	.			trans	-57.1	138.2	171.9	-171.3	-178.6	176	-172.8	0	110.3	E112 R211	K110-E112 PolarHBondContact O-N 3.23Å; K110-R211 PolarHBondContact O-NH1 2.84Å; K110-R211 PolarHBondContact O-NH2 3.23Å
111	M	87.4	Confident	88.4	Confident	180 Å²	180	71.3 Å²	71.3	89%	0.887	38%	0.378	S	S	*	.			trans	-59.8	126.1	174.7	-65.6	-171.7	-67.8	0	0	110.4	P109	P109-M111 PolarHBondContact O-N 3.14Å
112	E	83.8	Confident	88.6	Confident	108 Å²	108	70.4 Å²	70.4	51%	0.505	37%	0.372	S	S	.	.			trans	-140.3	159.6	178.8	-68.1	174.5	-177	0	0	109.6	K110 N116 R211	K110-E112 PolarHBondContact O-N 3.23Å; E112-N116 PolarHBondContact O-ND2 3.42Å; E112-N116 PolarHBondContact O-OD1 3.28Å; E112-R211 IonicContact OE1-NH1 2.9Å; E112-R211 IonicContact OE2-CZ 2.92Å; E112-R211 IonicContact OE2-NE 2.81Å; E112-R211 IonicContact OE2-NH1 3.25Å; E112-R211 PolarHBondContact OE2-NH1 3.13Å
113	T	83.1	Confident	88.9	Confident	155 Å²	155	69.9 Å²	69.9	95%	0.951	38%	0.375	S	S	*	.	S	Bend	trans	-87.9	119.1	178.7	-50.4	0	0	0	0	109.8
114	G	81.5	Confident	89.2	Confident	44 Å²	44	71.4 Å²	71.4	45%	0.454	39%	0.389	S	S	.	.	S	Bend	trans	88.4	169.1	-177.4	0	0	0	0	0	113.2	N116	G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 VanDerWaalsContact O-CG 3.3Å; G114-N116 PolarHBondContact O-N 3Å; G114-N116 PolarHBondContact O-ND2 2.96Å; G114-N116 PolarHBondContact O-OD1 2.88Å
115	D	83.9	Confident	89.5	Confident	97 Å²	97	71.4 Å²	71.4	52%	0.519	39%	0.389	S	S	.	.			trans	46.9	49.2	-177.7	-164.5	29	0	0	0	114.3	R211	D115-R211 PolarHBondContact O-NE 2.88Å
116	N	87.7	Confident	89.6	Confident	59 Å²	59	68.7 Å²	68.7	32%	0.316	37%	0.372	S	S	.	.			trans	-104.3	9.7	-176.3	-69.3	-41.5	0	0	0	112.8	E112 G114 G118 V119 V120 R211	E112-N116 PolarHBondContact O-ND2 3.42Å; E112-N116 PolarHBondContact O-OD1 3.28Å; G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 VanDerWaalsContact O-CG 3.3Å; G114-N116 PolarHBondContact O-N 3Å; G114-N116 PolarHBondContact O-ND2 2.96Å; G114-N116 PolarHBondContact O-OD1 2.88Å; N116-G118 PolarHBondContact O-N 3.26Å; N116-V119 WeakPolarHBondContact O-CB 3.41Å; N116-V119 PolarHBondContact O-N 3.48Å; N116-V119 VanDerWaalsContact O-N 3.17Å; N116-V120 WeakPolarHBondContact O-CG2 3.46Å; N116-V120 PolarHBondContact O-N 3.06Å; N116-R211 PolarHBondContact OD1-NH2 3.39Å
117	L	89.9	Confident	89.9	Confident	116 Å²	116	67.2 Å²	67.2	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-60.9	-47.1	-177	-177.9	64.4	0	0	0	111.6	V119 V120 T121	L117-V119 VanDerWaalsContact C-N 3.28Å; L117-V119 PolarHBondContact O-N 3.4Å; L117-V120 PolarHBondContact O-N 2.86Å; L117-T121 PolarHBondContact O-N 2.68Å; L117-T121 PolarHBondContact O-OG1 2.89Å
118	G	90.8	Very high	90.1	Very high	4 Å²	4	66.4 Å²	66.4	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-34.5	176.8	0	0	0	0	0	112.7	N116 T121 Q122 P210	N116-G118 PolarHBondContact O-N 3.26Å; G118-T121 WeakPolarHBondContact O-CB 3.42Å; G118-T121 PolarHBondContact O-N 3.34Å; G118-Q122 WeakPolarHBondContact O-CG 3.34Å; G118-Q122 PolarHBondContact O-N 3.31Å; G118-P210 WeakPolarHBondContact CA-O 3.33Å
119	V	92.3	Very high	90.1	Very high	14 Å²	14	63.6 Å²	63.6	9%	0.085	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-43.3	174.6	-174.9	0	0	0	0	110.9	I108 P109 N116 L117 T121 Q122 E123 P210	I108-V119 HydrophobicContact CG2-CG1 4.45Å; P109-V119 HydrophobicContact CG-CG2 3.67Å; N116-V119 WeakPolarHBondContact O-CB 3.41Å; N116-V119 PolarHBondContact O-N 3.48Å; N116-V119 VanDerWaalsContact O-N 3.17Å; L117-V119 VanDerWaalsContact C-N 3.28Å; L117-V119 PolarHBondContact O-N 3.4Å; V119-T121 VanDerWaalsContact C-N 3.28Å; V119-T121 PolarHBondContact O-N 3.4Å; V119-Q122 WeakPolarHBondContact O-CB 3.48Å; V119-Q122 PolarHBondContact O-N 3.15Å; V119-Q122 VanDerWaalsContact O-N 3.11Å; V119-E123 WeakPolarHBondContact O-CG 3.17Å; V119-E123 PolarHBondContact O-N 3.11Å; V119-P210 HydrophobicContact CG2-CB 4.16Å
120	V	93.9	Very high	90.1	Very high	79 Å²	79	65.5 Å²	65.5	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-38.9	173.7	171.6	0	0	0	0	110.9	N116 L117 E123 A124	N116-V120 WeakPolarHBondContact O-CG2 3.46Å; N116-V120 PolarHBondContact O-N 3.06Å; L117-V120 PolarHBondContact O-N 2.86Å; V120-E123 PolarHBondContact O-N 3.27Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.46Å
121	T	94.3	Very high	90.3	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.086	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-39.4	173.9	-60.2	0	0	0	0	112.1	L117 G118 V119 A124 A125 F199 N203 Q206 I207	L117-T121 PolarHBondContact O-N 2.68Å; L117-T121 PolarHBondContact O-OG1 2.89Å; G118-T121 WeakPolarHBondContact O-CB 3.42Å; G118-T121 PolarHBondContact O-N 3.34Å; V119-T121 VanDerWaalsContact C-N 3.28Å; V119-T121 PolarHBondContact O-N 3.4Å; T121-A124 PolarHBondContact O-N 2.92Å; T121-A125 PolarHBondContact O-N 3.08Å; T121-F199 HydrophobicContact CG2-CE1 4.3Å; T121-F199 HydrophobicContact CG2-CZ 4.22Å; T121-N203 HydrophobicContact CG2-CB 3.61Å; T121-Q206 HydrophobicContact CG2-CB 4.21Å; T121-Q206 PolarHBondContact OG1-OE1 2.92Å; T121-I207 HydrophobicContact CG2-CG1 4.26Å
122	Q	94.1	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-45.4	173.4	-69.8	172.3	-32.2	0	0	111.7	I104 L107 I108 G118 V119 A124 A125 L126 I207	I104-Q122 HydrophobicContact CG2-CB 3.92Å; I104-Q122 HydrophobicContact CG2-CG 4.31Å; L107-Q122 VanDerWaalsContact C-NE2 3.33Å; L107-Q122 PolarHBondContact O-NE2 3.43Å; I108-Q122 HydrophobicContact CG1-CB 4.5Å; G118-Q122 WeakPolarHBondContact O-CG 3.34Å; G118-Q122 PolarHBondContact O-N 3.31Å; V119-Q122 WeakPolarHBondContact O-CB 3.48Å; V119-Q122 PolarHBondContact O-N 3.15Å; V119-Q122 VanDerWaalsContact O-N 3.11Å; Q122-A124 VanDerWaalsContact C-N 3.33Å; Q122-A124 PolarHBondContact O-N 2.96Å; Q122-A125 WeakPolarHBondContact O-CB 3.43Å; Q122-A125 PolarHBondContact O-N 3.38Å; Q122-L126 PolarHBondContact O-N 2.99Å; Q122-I207 PolarHBondContact NE2-O 3.49Å
123	E	94.5	Very high	90.3	Very high	111 Å²	111	50.2 Å²	50.2	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-40	177	-71.8	179.7	170.2	0	0	111.7	V119 V120 L126 S127	V119-E123 WeakPolarHBondContact O-CG 3.17Å; V119-E123 PolarHBondContact O-N 3.11Å; V120-E123 PolarHBondContact O-N 3.27Å; E123-L126 PolarHBondContact O-N 2.99Å; E123-S127 PolarHBondContact O-N 3.23Å
124	A	95.7	Very high	90.6	Very high	40 Å²	40	47.7 Å²	47.7	33%	0.331	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-44.6	173.7	0	0	0	0	0	111.6	V120 T121 Q122 L126 S127 L128 F199	V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.46Å; T121-A124 PolarHBondContact O-N 2.92Å; Q122-A124 VanDerWaalsContact C-N 3.33Å; Q122-A124 PolarHBondContact O-N 2.96Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 2.85Å; A124-S127 PolarHBondContact O-N 3.44Å; A124-L128 WeakPolarHBondContact O-CG 3.1Å; A124-L128 PolarHBondContact O-N 3.45Å; A124-F199 HydrophobicContact CB-CE1 4.39Å; A124-F199 HydrophobicContact CB-CZ 3.87Å
125	A	92.9	Very high	90.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-41.7	175.4	0	0	0	0	0	111.9	I104 T121 Q122 L128 V129 F199 I207	I104-A125 HydrophobicContact CD1-CB 3.88Å; T121-A125 PolarHBondContact O-N 3.08Å; Q122-A125 WeakPolarHBondContact O-CB 3.43Å; Q122-A125 PolarHBondContact O-N 3.38Å; A125-L128 PolarHBondContact O-N 2.81Å; A125-V129 WeakPolarHBondContact O-CG2 3.37Å; A125-V129 PolarHBondContact O-N 3.48Å; A125-V129 VanDerWaalsContact O-N 3.13Å; A125-F199 HydrophobicContact CB-CD1 4.22Å; A125-F199 HydrophobicContact CB-CE1 3.91Å; A125-I207 HydrophobicContact CB-CD1 4.16Å
126	L	93.2	Very high	90.8	Very high	24 Å²	24	43.4 Å²	43.4	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-46	175.5	-74.3	173	0	0	0	112	S101 I104 V105 I108 Q122 E123 A124 L128 V129 D130	S101-L126 WeakPolarHBondContact O-CD2 3.44Å; I104-L126 HydrophobicContact CB-CD2 3.85Å; I104-L126 HydrophobicContact CB-CG 4.16Å; I104-L126 HydrophobicContact CD1-CD2 4.45Å; I104-L126 HydrophobicContact CG2-CD1 4.08Å; I104-L126 HydrophobicContact CG2-CD2 3.99Å; I104-L126 HydrophobicContact CG2-CG 3.71Å; V105-L126 HydrophobicContact CG2-CD1 3.87Å; V105-L126 HydrophobicContact CG2-CD2 4Å; I108-L126 HydrophobicContact CD1-CD1 3.84Å; Q122-L126 PolarHBondContact O-N 2.99Å; E123-L126 PolarHBondContact O-N 2.99Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 2.85Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.26Å; L126-V129 WeakPolarHBondContact O-CB 3.23Å; L126-V129 PolarHBondContact O-N 3.41Å; L126-D130 PolarHBondContact O-N 3.05Å
127	S	94.2	Very high	90.7	Very high	56 Å²	56	44.3 Å²	44.3	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-39.8	177	-174	0	0	0	0	112	E123 A124 D130 Q131	E123-S127 PolarHBondContact O-N 3.23Å; A124-S127 PolarHBondContact O-N 3.44Å; S127-D130 PolarHBondContact O-N 2.91Å; S127-Q131 WeakPolarHBondContact O-CB 3.23Å; S127-Q131 VanDerWaalsContact O-CG 3.24Å; S127-Q131 WeakPolarHBondContact O-CG 3.42Å; S127-Q131 PolarHBondContact O-N 3.13Å; S127-Q131 PolarHBondContact OG-NE2 3.33Å; S127-Q131 VanDerWaalsContact OG-NE2 3.15Å
128	L	92.5	Very high	90.5	Very high	25 Å²	25	41.7 Å²	41.7	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-40.1	175.7	-67.1	173.8	0	0	0	112.4	A124 A125 L126 D130 I132 Y195 L196 F199	A124-L128 WeakPolarHBondContact O-CG 3.1Å; A124-L128 PolarHBondContact O-N 3.45Å; A125-L128 PolarHBondContact O-N 2.81Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.26Å; L128-D130 VanDerWaalsContact C-N 3.33Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.29Å; L128-I132 VanDerWaalsContact O-N 3.13Å; L128-Y195 HydrophobicContact CD1-CD1 3.94Å; L128-Y195 HydrophobicContact CD1-CE1 3.62Å; L128-Y195 HydrophobicContact CD2-CD1 3.87Å; L128-Y195 HydrophobicContact CD2-CE1 3.65Å; L128-Y195 HydrophobicContact CG-CE1 4.29Å; L128-L196 HydrophobicContact CB-CD1 3.91Å; L128-L196 HydrophobicContact CD1-CD1 4.49Å; L128-F199 HydrophobicContact CD1-CB 4.03Å; L128-F199 HydrophobicContact CD1-CD1 3.92Å; L128-F199 HydrophobicContact CD1-CD2 4.13Å; L128-F199 HydrophobicContact CD1-CE1 4.46Å; L128-F199 HydrophobicContact CD1-CG 3.74Å
129	V	89.9	Confident	90.1	Very high	1 Å²	1	42 Å²	42	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-44.4	174.7	176.1	0	0	0	0	110.6	L100 A125 L126 I132 I133 L196	L100-V129 HydrophobicContact CD2-CG2 3.76Å; L100-V129 HydrophobicContact CG-CG2 4.21Å; A125-V129 WeakPolarHBondContact O-CG2 3.37Å; A125-V129 PolarHBondContact O-N 3.48Å; A125-V129 VanDerWaalsContact O-N 3.13Å; L126-V129 WeakPolarHBondContact O-CB 3.23Å; L126-V129 PolarHBondContact O-N 3.41Å; V129-I132 WeakPolarHBondContact O-CB 3.37Å; V129-I132 PolarHBondContact O-N 3.26Å; V129-I133 HydrophobicContact CG1-CD1 3.96Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.44Å; V129-L196 HydrophobicContact CG2-CD1 3.92Å; V129-L196 HydrophobicContact CG2-CD2 3.76Å
130	D	89.9	Confident	89.5	Confident	80 Å²	80	42.5 Å²	42.5	43%	0.428	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-44.9	-180	-69.9	-22.7	0	0	0	111.8	L126 S127 L128 I132 I133 D134	L126-D130 PolarHBondContact O-N 3.05Å; S127-D130 PolarHBondContact O-N 2.91Å; L128-D130 VanDerWaalsContact C-N 3.33Å; D130-I132 PolarHBondContact O-N 3.36Å; D130-I133 WeakPolarHBondContact O-CA 3.5Å; D130-I133 WeakPolarHBondContact O-CB 3.38Å; D130-I133 PolarHBondContact O-N 2.95Å; D130-D134 PolarHBondContact O-N 3.46Å
131	Q	91	Very high	89	Confident	104 Å²	104	44.9 Å²	44.9	49%	0.486	25%	0.248	S	C	.	.	H	α-helix	trans	-57	-39.1	175.1	-73.7	171.6	43	0	0	112.6	S127 S135	S127-Q131 WeakPolarHBondContact O-CB 3.23Å; S127-Q131 VanDerWaalsContact O-CG 3.24Å; S127-Q131 WeakPolarHBondContact O-CG 3.42Å; S127-Q131 PolarHBondContact O-N 3.13Å; S127-Q131 PolarHBondContact OG-NE2 3.33Å; S127-Q131 VanDerWaalsContact OG-NE2 3.15Å; Q131-S135 WeakPolarHBondContact O-CB 3.46Å; Q131-S135 PolarHBondContact O-N 3.34Å; Q131-S135 PolarHBondContact O-OG 3.13Å
132	I	87.6	Confident	88.5	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-41.1	175.2	-75.5	161.9	0	0	0	111.2	K97 L128 V129 D130 S135 I136 L189 L196	K97-I132 HydrophobicContact CD-CG2 4.22Å; L128-I132 WeakPolarHBondContact O-CD1 3.33Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.29Å; L128-I132 VanDerWaalsContact O-N 3.13Å; V129-I132 WeakPolarHBondContact O-CB 3.37Å; V129-I132 PolarHBondContact O-N 3.26Å; D130-I132 PolarHBondContact O-N 3.36Å; I132-S135 PolarHBondContact O-N 3.37Å; I132-I136 HydrophobicContact CG2-CD1 4.22Å; I132-I136 WeakPolarHBondContact O-CG1 3.36Å; I132-I136 PolarHBondContact O-N 3.27Å; I132-L189 HydrophobicContact CG2-CD1 4.09Å; I132-L196 HydrophobicContact CD1-CB 3.64Å; I132-L196 HydrophobicContact CD1-CD2 3.41Å; I132-L196 VanDerWaalsContact CD1-CD2 3.41Å; I132-L196 HydrophobicContact CD1-CG 4.13Å
133	I	84.3	Confident	87.5	Confident	29 Å²	29	47 Å²	47	15%	0.149	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-45.2	177.6	-70.5	166.8	0	0	0	109.8	V129 D130 S135 I136 N137	V129-I133 HydrophobicContact CG1-CD1 3.96Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.44Å; D130-I133 WeakPolarHBondContact O-CA 3.5Å; D130-I133 WeakPolarHBondContact O-CB 3.38Å; D130-I133 PolarHBondContact O-N 2.95Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.31Å; I133-I136 PolarHBondContact O-N 3.34Å; I133-I136 VanDerWaalsContact O-N 3.17Å; I133-N137 PolarHBondContact O-N 3.04Å; I133-N137 PolarHBondContact O-ND2 3.25Å
134	D	88.2	Confident	86.7	Confident	102 Å²	102	46.7 Å²	46.7	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-42.4	177.1	-73	-18.9	0	0	0	111.7	D130 I136 N137 A138	D130-D134 PolarHBondContact O-N 3.46Å; D134-I136 VanDerWaalsContact C-N 3.31Å; D134-I136 PolarHBondContact O-N 3.05Å; D134-N137 PolarHBondContact O-N 3.07Å; D134-A138 WeakPolarHBondContact O-CB 3.22Å; D134-A138 PolarHBondContact O-N 3.21Å
135	S	87.8	Confident	86.1	Confident	44 Å²	44	48.7 Å²	48.7	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-41.3	174.7	-61.9	0	0	0	0	111.9	Q131 I132 I133 A138 I139	Q131-S135 WeakPolarHBondContact O-CB 3.46Å; Q131-S135 PolarHBondContact O-N 3.34Å; Q131-S135 PolarHBondContact O-OG 3.13Å; I132-S135 PolarHBondContact O-N 3.37Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.31Å; S135-A138 PolarHBondContact O-N 3.29Å; S135-I139 WeakPolarHBondContact O-CD1 3.24Å; S135-I139 VanDerWaalsContact O-CG1 3.27Å; S135-I139 WeakPolarHBondContact O-CG1 3.47Å; S135-I139 PolarHBondContact O-N 3.46Å
136	I	83	Confident	85.4	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-45.6	175.8	-69.5	166.7	0	0	0	110.7	C94 I132 I133 D134 A138 I139 L140 L189	C94-I136 VanDerWaalsContact SG-CG2 3.56Å; I132-I136 HydrophobicContact CG2-CD1 4.22Å; I132-I136 WeakPolarHBondContact O-CG1 3.36Å; I132-I136 PolarHBondContact O-N 3.27Å; I133-I136 PolarHBondContact O-N 3.34Å; I133-I136 VanDerWaalsContact O-N 3.17Å; D134-I136 VanDerWaalsContact C-N 3.31Å; D134-I136 PolarHBondContact O-N 3.05Å; I136-A138 VanDerWaalsContact C-N 3.3Å; I136-A138 PolarHBondContact O-N 3.29Å; I136-I139 PolarHBondContact O-N 3.33Å; I136-L140 HydrophobicContact CG2-CD1 4Å; I136-L140 HydrophobicContact CG2-CG 4.44Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.48Å; I136-L140 PolarHBondContact O-N 2.91Å; I136-L189 HydrophobicContact CD1-CD1 4.21Å; I136-L189 HydrophobicContact CG1-CD1 3.74Å; I136-L189 HydrophobicContact CG1-CD2 3.86Å; I136-L189 HydrophobicContact CG1-CG 4.48Å
137	N	84.4	Confident	84.3	Confident	78 Å²	78	51.6 Å²	51.6	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-39.5	179	-70.3	-29.7	0	0	0	111.6	I133 D134 L140 K141	I133-N137 PolarHBondContact O-N 3.04Å; I133-N137 PolarHBondContact O-ND2 3.25Å; D134-N137 PolarHBondContact O-N 3.07Å; N137-L140 PolarHBondContact O-N 3.17Å; N137-K141 WeakPolarHBondContact O-CB 3.43Å; N137-K141 PolarHBondContact O-N 2.97Å
138	A	86.5	Confident	83.4	Confident	61 Å²	61	51.2 Å²	51.2	50%	0.504	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-47.6	175.5	0	0	0	0	0	111.5	D134 S135 I136 L140 K141 W142	D134-A138 WeakPolarHBondContact O-CB 3.22Å; D134-A138 PolarHBondContact O-N 3.21Å; S135-A138 PolarHBondContact O-N 3.29Å; I136-A138 VanDerWaalsContact C-N 3.3Å; I136-A138 PolarHBondContact O-N 3.29Å; A138-L140 VanDerWaalsContact C-N 3.29Å; A138-L140 PolarHBondContact O-N 3.32Å; A138-K141 PolarHBondContact O-N 3.43Å; A138-W142 VanDerWaalsContact O-CB 3.3Å; A138-W142 WeakPolarHBondContact O-CB 3.39Å; A138-W142 PolarHBondContact O-N 2.87Å
139	I	83	Confident	82.7	Confident	11 Å²	11	54.6 Å²	54.6	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-42.5	175.5	-68.9	163.6	0	0	0	110.6	F87 S135 I136 W142 I143 L182 L186 L189	F87-I139 HydrophobicContact CE1-CG2 4.44Å; S135-I139 WeakPolarHBondContact O-CD1 3.24Å; S135-I139 VanDerWaalsContact O-CG1 3.27Å; S135-I139 WeakPolarHBondContact O-CG1 3.47Å; S135-I139 PolarHBondContact O-N 3.46Å; I136-I139 PolarHBondContact O-N 3.33Å; I139-W142 PolarHBondContact O-N 3.29Å; I139-I143 HydrophobicContact CG2-CD1 4Å; I139-I143 WeakPolarHBondContact O-CD1 3.43Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 2.84Å; I139-L182 HydrophobicContact CG2-CD1 4.2Å; I139-L186 HydrophobicContact CD1-CD2 4.47Å; I139-L189 HydrophobicContact CD1-CB 4.37Å; I139-L189 HydrophobicContact CD1-CD2 4.14Å
140	L	79.5	Confident	81.9	Confident	24 Å²	24	55.7 Å²	55.7	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-46.3	178	-69.8	168.4	0	0	0	112.7	V91 I136 N137 A138 W142 I143 F144	V91-L140 HydrophobicContact CB-CD1 4.19Å; V91-L140 HydrophobicContact CG1-CD1 3.73Å; V91-L140 HydrophobicContact CG2-CD1 3.34Å; V91-L140 HydrophobicContact CG2-CD2 3.26Å; V91-L140 HydrophobicContact CG2-CG 3.85Å; I136-L140 HydrophobicContact CG2-CD1 4Å; I136-L140 HydrophobicContact CG2-CG 4.44Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.48Å; I136-L140 PolarHBondContact O-N 2.91Å; N137-L140 PolarHBondContact O-N 3.17Å; A138-L140 VanDerWaalsContact C-N 3.29Å; A138-L140 PolarHBondContact O-N 3.32Å; L140-W142 VanDerWaalsContact C-N 3.33Å; L140-I143 HydrophobicContact CD2-CD1 4.45Å; L140-I143 WeakPolarHBondContact O-CB 3.27Å; L140-I143 PolarHBondContact O-N 2.9Å; L140-F144 WeakPolarHBondContact O-CD2 3.47Å; L140-F144 PolarHBondContact O-N 3.46Å
141	K	83.5	Confident	80.8	Confident	128 Å²	128	54 Å²	54	56%	0.557	28%	0.279	S	S	*	.	H	α-helix	trans	-58.7	-48.2	176.5	179.4	176.8	168	-178	0	110.4	N137 A138 I143 F144 E145	N137-K141 WeakPolarHBondContact O-CB 3.43Å; N137-K141 PolarHBondContact O-N 2.97Å; A138-K141 PolarHBondContact O-N 3.43Å; K141-I143 VanDerWaalsContact C-N 3.29Å; K141-I143 PolarHBondContact O-N 3.31Å; K141-F144 WeakPolarHBondContact O-CB 3.39Å; K141-F144 PolarHBondContact O-N 2.9Å; K141-E145 WeakPolarHBondContact CE-OE1 3.36Å; K141-E145 HydrophobicContact CG-CG 4.39Å; K141-E145 IonicContact NZ-OE1 2.88Å; K141-E145 WeakPolarHBondContact O-CG 3.49Å; K141-E145 PolarHBondContact O-N 3.46Å
142	W	81.9	Confident	79.8	Confident	43 Å²	43	54 Å²	54	16%	0.163	28%	0.283	C	S	.	.	H	α-helix	trans	-56.8	-41.2	177.7	-179.6	86.6	0	0	0	112.2	F84 A138 I139 L140 F144 E145 Y146 E178 L182	F84-W142 HydrophobicContact CE1-CZ3 4.42Å; F84-W142 HydrophobicContact CZ-CZ3 4.01Å; A138-W142 VanDerWaalsContact O-CB 3.3Å; A138-W142 WeakPolarHBondContact O-CB 3.39Å; A138-W142 PolarHBondContact O-N 2.87Å; I139-W142 PolarHBondContact O-N 3.29Å; L140-W142 VanDerWaalsContact C-N 3.33Å; W142-F144 VanDerWaalsContact C-N 3.31Å; W142-F144 PolarHBondContact O-N 3.05Å; W142-E145 PolarHBondContact O-N 3.45Å; W142-Y146 WeakPolarHBondContact O-CB 3.34Å; W142-Y146 PolarHBondContact O-N 3.07Å; W142-E178 HydrophobicContact CH2-CB 3.86Å; W142-E178 WeakPolarHBondContact CH2-O 3.37Å; W142-E178 HydrophobicContact CZ2-CB 3.54Å; W142-E178 VanDerWaalsContact CZ2-CD 3.49Å; W142-E178 HydrophobicContact CZ2-CG 4.1Å; W142-E178 WeakPolarHBondContact CZ2-O 3.49Å; W142-E178 WeakPolarHBondContact CZ2-OE2 3.49Å; W142-E178 PolarHBondContact NE1-OE2 3.23Å; W142-L182 HydrophobicContact CE3-CD1 4.3Å; W142-L182 HydrophobicContact CH2-CB 3.89Å; W142-L182 HydrophobicContact CZ3-CB 3.94Å; W142-L182 HydrophobicContact CZ3-CD1 3.97Å; W142-L182 HydrophobicContact CZ3-CG 4.45Å
143	I	74.8	Confident	78.7	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.077	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-40.2	175.7	-68.3	158.6	0	0	0	112.1	F84 I139 L140 K141 R147	F84-I143 HydrophobicContact CB-CG2 4.48Å; F84-I143 HydrophobicContact CD1-CD1 3.33Å; F84-I143 HydrophobicContact CD1-CG1 3.51Å; F84-I143 HydrophobicContact CD1-CG2 4.28Å; F84-I143 HydrophobicContact CE1-CD1 3.5Å; F84-I143 VanDerWaalsContact CE1-CD1 3.5Å; F84-I143 HydrophobicContact CE1-CG1 3.38Å; F84-I143 HydrophobicContact CG-CD1 4.5Å; F84-I143 HydrophobicContact CG-CG1 4.5Å; F84-I143 HydrophobicContact CZ-CG1 4.31Å; I139-I143 HydrophobicContact CG2-CD1 4Å; I139-I143 WeakPolarHBondContact O-CD1 3.43Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 2.84Å; L140-I143 HydrophobicContact CD2-CD1 4.45Å; L140-I143 WeakPolarHBondContact O-CB 3.27Å; L140-I143 PolarHBondContact O-N 2.9Å; K141-I143 VanDerWaalsContact C-N 3.29Å; K141-I143 PolarHBondContact O-N 3.31Å; I143-R147 WeakPolarHBondContact O-CG 3.03Å; I143-R147 PolarHBondContact O-N 2.95Å
144	F	78	Confident	77.4	Confident	106 Å²	106	55.6 Å²	55.6	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-40.9	178	-70.5	-66.5	0	0	0	111.6	L140 K141 W142 R147 A148	L140-F144 WeakPolarHBondContact O-CD2 3.47Å; L140-F144 PolarHBondContact O-N 3.46Å; K141-F144 WeakPolarHBondContact O-CB 3.39Å; K141-F144 PolarHBondContact O-N 2.9Å; W142-F144 VanDerWaalsContact C-N 3.31Å; W142-F144 PolarHBondContact O-N 3.05Å; F144-R147 PolarHBondContact O-N 3.31Å; F144-A148 PolarHBondContact O-N 3.06Å
145	E	81.3	Confident	75.7	Confident	81 Å²	81	55.3 Å²	55.3	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-44.5	177.9	-71.3	174.5	160	0	0	111.6	K141 W142 R147 A148 Q149	K141-E145 WeakPolarHBondContact CE-OE1 3.36Å; K141-E145 HydrophobicContact CG-CG 4.39Å; K141-E145 IonicContact NZ-OE1 2.88Å; K141-E145 WeakPolarHBondContact O-CG 3.49Å; K141-E145 PolarHBondContact O-N 3.46Å; W142-E145 PolarHBondContact O-N 3.45Å; E145-R147 VanDerWaalsContact C-N 3.3Å; E145-R147 PolarHBondContact O-N 3.45Å; E145-A148 PolarHBondContact O-N 3.34Å; E145-A148 VanDerWaalsContact O-N 3.15Å; E145-Q149 WeakPolarHBondContact O-CB 3.45Å; E145-Q149 WeakPolarHBondContact O-CG 3.5Å; E145-Q149 PolarHBondContact O-N 2.77Å
146	Y	78.7	Confident	73.8	Confident	12 Å²	12	59.5 Å²	59.5	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-52.2	-48.6	172.3	167.5	-103.5	0	0	0	111.3	F80 W142 A148 Q149 R150 F174 D175 E178	F80-Y146 HydrophobicContact CD1-CE1 4.18Å; F80-Y146 HydrophobicContact CE1-CE1 4.18Å; W142-Y146 WeakPolarHBondContact O-CB 3.34Å; W142-Y146 PolarHBondContact O-N 3.07Å; Y146-A148 PolarHBondContact O-N 3.08Å; Y146-Q149 PolarHBondContact O-N 2.77Å; Y146-R150 HydrophobicContact CE2-CB 4.46Å; Y146-R150 WeakPolarHBondContact O-CB 3.48Å; Y146-R150 PolarHBondContact O-N 3.1Å; Y146-F174 AromaticContact CD2-CE1 3.92Å; Y146-F174 HydrophobicContact CD2-CE1 3.92Å; Y146-F174 HydrophobicContact CD2-CZ 4.27Å; Y146-F174 AromaticContact CE2-CE1 3.88Å; Y146-F174 HydrophobicContact CE2-CE1 3.88Å; Y146-D175 WeakPolarHBondContact CE2-OD1 3.28Å; Y146-D175 PolarHBondContact OH-OD1 3.06Å; Y146-E178 HydrophobicContact CD2-CB 3.84Å; Y146-E178 HydrophobicContact CD2-CG 3.77Å; Y146-E178 HydrophobicContact CE2-CB 4.03Å; Y146-E178 HydrophobicContact CE2-CG 4.16Å
147	R	70	Confident	72.1	Confident	73 Å²	73	60.6 Å²	60.6	28%	0.275	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-41.8	179.5	-74.7	-177.3	-179.8	-170.7	2.3	112.6	C81 C85 I143 F144 E145 S151	C81-R147 PolarHBondContact O-NH2 3.13Å; C81-R147 PolarHBondContact SG-NE 3.01Å; C85-R147 PolarHBondContact SG-NH2 2.94Å; I143-R147 WeakPolarHBondContact O-CG 3.03Å; I143-R147 PolarHBondContact O-N 2.95Å; F144-R147 PolarHBondContact O-N 3.31Å; E145-R147 VanDerWaalsContact C-N 3.3Å; E145-R147 PolarHBondContact O-N 3.45Å; R147-S151 PolarHBondContact O-N 3.34Å
148	A	75.3	Confident	70.4	Confident	49 Å²	49	59.6 Å²	59.6	41%	0.405	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-45.5	-180	0	0	0	0	0	111.6	F144 E145 Y146 R150 S151 N152	F144-A148 PolarHBondContact O-N 3.06Å; E145-A148 PolarHBondContact O-N 3.34Å; E145-A148 VanDerWaalsContact O-N 3.15Å; Y146-A148 PolarHBondContact O-N 3.08Å; A148-R150 VanDerWaalsContact C-N 3.35Å; A148-R150 PolarHBondContact O-N 3.43Å; A148-S151 PolarHBondContact O-N 3.37Å; A148-S151 PolarHBondContact O-OG 3.16Å; A148-N152 PolarHBondContact O-N 3.07Å; A148-N152 VanDerWaalsContact O-N 3.11Å; A148-N152 PolarHBondContact O-ND2 3.32Å
149	Q	78.7	Confident	68.4	Low	95 Å²	95	66.4 Å²	66.4	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.4	-70.3	178.4	12.2	0	0	110.7	E145 Y146 S151 N152 S153 F174	E145-Q149 WeakPolarHBondContact O-CB 3.45Å; E145-Q149 WeakPolarHBondContact O-CG 3.5Å; E145-Q149 PolarHBondContact O-N 2.77Å; Y146-Q149 PolarHBondContact O-N 2.77Å; Q149-S151 PolarHBondContact O-N 3.36Å; Q149-N152 PolarHBondContact O-N 3.14Å; Q149-S153 PolarHBondContact O-N 3.15Å; Q149-S153 PolarHBondContact O-OG 2.94Å; Q149-F174 HydrophobicContact CB-CZ 4.04Å; Q149-F174 VanDerWaalsContact OE1-CZ 3.27Å
150	R	72.2	Confident	66.8	Low	24 Å²	24	71.6 Å²	71.6	9%	0.091	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-38.5	-179.7	-167.1	64.2	173	93.4	2.7	112.9	Y146 A148 S154 I171 D175	Y146-R150 HydrophobicContact CE2-CB 4.46Å; Y146-R150 WeakPolarHBondContact O-CB 3.48Å; Y146-R150 PolarHBondContact O-N 3.1Å; A148-R150 VanDerWaalsContact C-N 3.35Å; A148-R150 PolarHBondContact O-N 3.43Å; R150-S154 PolarHBondContact O-N 2.82Å; R150-S154 VanDerWaalsContact O-N 3.15Å; R150-S154 PolarHBondContact O-OG 3.44Å; R150-I171 VanDerWaalsContact NH1-CG2 3.32Å; R150-D175 VanDerWaalsContact CD-OD1 3.27Å; R150-D175 WeakPolarHBondContact CD-OD1 3.46Å; R150-D175 IonicContact CZ-OD1 3.67Å; R150-D175 IonicContact CZ-OD2 2.84Å; R150-D175 VanDerWaalsContact CZ-OD2 3.25Å; R150-D175 IonicContact NE-OD1 3.83Å; R150-D175 PolarHBondContact NE-OD1 2.87Å; R150-D175 IonicContact NE-OD2 3.4Å; R150-D175 PolarHBondContact NE-OD2 3.36Å; R150-D175 IonicContact NH2-OD2 3.92Å; R150-D175 PolarHBondContact NH2-OD2 3.28Å
151	S	68.2	Low	65.2	Low	45 Å²	45	76.6 Å²	76.6	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-67.7	-41.4	176.2	82	0	0	0	0	111.7	R147 A148 Q149 S153 S154 D155	R147-S151 PolarHBondContact O-N 3.34Å; A148-S151 PolarHBondContact O-N 3.37Å; A148-S151 PolarHBondContact O-OG 3.16Å; Q149-S151 PolarHBondContact O-N 3.36Å; S151-S153 VanDerWaalsContact C-N 3.3Å; S151-S153 PolarHBondContact O-N 2.93Å; S151-S154 WeakPolarHBondContact CA-OG 3.26Å; S151-S154 PolarHBondContact O-N 3.02Å; S151-S154 VanDerWaalsContact O-N 3.14Å; S151-S154 PolarHBondContact O-OG 3.05Å; S151-D155 WeakPolarHBondContact O-CB 3.34Å; S151-D155 VanDerWaalsContact O-CG 3.3Å; S151-D155 PolarHBondContact O-N 2.9Å
152	N	70.1	Confident	63.7	Low	105 Å²	105	76.6 Å²	76.6	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-60.6	-39.9	177.5	-69.3	-14.5	0	0	0	111.7	A148 Q149 L156	A148-N152 PolarHBondContact O-N 3.07Å; A148-N152 VanDerWaalsContact O-N 3.11Å; A148-N152 PolarHBondContact O-ND2 3.32Å; Q149-N152 PolarHBondContact O-N 3.14Å; N152-L156 PolarHBondContact O-N 3.04Å
153	S	63.4	Low	62.5	Low	49 Å²	49	76.9 Å²	76.9	34%	0.343	40%	0.396	S	S	.	.	H	α-helix	trans	-64.5	-43.4	174.2	-54.9	0	0	0	0	111.9	Q149 S151 E157	Q149-S153 PolarHBondContact O-N 3.15Å; Q149-S153 PolarHBondContact O-OG 2.94Å; S151-S153 VanDerWaalsContact C-N 3.3Å; S151-S153 PolarHBondContact O-N 2.93Å; S153-E157 WeakPolarHBondContact O-CB 3.32Å; S153-E157 PolarHBondContact O-N 3.19Å
154	S	57.9	Low	62	Low	16 Å²	16	82.3 Å²	82.3	11%	0.112	42%	0.421	C	S	.	.	H	α-helix	trans	-72	-36	-178.4	53.9	0	0	0	0	114.1	R150 S151 C158	R150-S154 PolarHBondContact O-N 2.82Å; R150-S154 VanDerWaalsContact O-N 3.15Å; R150-S154 PolarHBondContact O-OG 3.44Å; S151-S154 WeakPolarHBondContact CA-OG 3.26Å; S151-S154 PolarHBondContact O-N 3.02Å; S151-S154 VanDerWaalsContact O-N 3.14Å; S151-S154 PolarHBondContact O-OG 3.05Å; S154-C158 WeakPolarHBondContact O-CB 3.47Å; S154-C158 PolarHBondContact O-N 2.96Å; S154-C158 VanDerWaalsContact O-N 3.08Å; S154-C158 PolarHBondContact O-SG 3.03Å
155	D	51	Low	61.7	Low	95 Å²	95	82.9 Å²	82.9	51%	0.508	43%	0.425	S	S	.	.	H	α-helix	trans	-73.9	-34.4	-177.9	-70.1	-22.4	0	0	0	111.4	S151 Y159	S151-D155 WeakPolarHBondContact O-CB 3.34Å; S151-D155 VanDerWaalsContact O-CG 3.3Å; S151-D155 PolarHBondContact O-N 2.9Å; D155-Y159 WeakPolarHBondContact O-CD2 3.38Å
156	L	48.9	Very low	61.2	Low	132 Å²	132	86.2 Å²	86.2	69%	0.691	44%	0.441	S	S	*	.	H	α-helix	trans	-72.5	-33.2	175.8	-131.7	84.4	0	0	0	112.5	N152	N152-L156 PolarHBondContact O-N 3.04Å
157	E	47.9	Very low	60.8	Low	31 Å²	31	89.5 Å²	89.5	15%	0.145	46%	0.455	C	S	.	.	H	α-helix	trans	-90.1	-31.2	-172.9	-81.5	178.9	146.4	0	0	114.7	S153 Y159 Q160 L163 K167 I171	S153-E157 WeakPolarHBondContact O-CB 3.32Å; S153-E157 PolarHBondContact O-N 3.19Å; E157-Y159 PolarHBondContact O-N 2.79Å; E157-Y159 VanDerWaalsContact O-N 3.15Å; E157-Q160 PolarHBondContact O-N 3.21Å; E157-Q160 VanDerWaalsContact O-N 3.08Å; E157-L163 HydrophobicContact CB-CD2 4.1Å; E157-L163 HydrophobicContact CG-CD2 4.02Å; E157-K167 WeakPolarHBondContact OE1-CB 3.37Å; E157-K167 WeakPolarHBondContact OE1-CD 3.27Å; E157-I171 WeakPolarHBondContact OE2-CD1 3.33Å
158	C	47.7	Very low	60.9	Low	56 Å²	56	88.3 Å²	88.3	38%	0.378	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.8	176.7	-75.7	0	0	0	0	113.1	S154	S154-C158 WeakPolarHBondContact O-CB 3.47Å; S154-C158 PolarHBondContact O-N 2.96Å; S154-C158 VanDerWaalsContact O-N 3.08Å; S154-C158 PolarHBondContact O-SG 3.03Å
159	Y	45.1	Very low	60.9	Low	204 Å²	204	88.9 Å²	88.9	80%	0.8	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.1	176.8	-84.1	-85.6	0	0	0	113.9	D155 E157	D155-Y159 WeakPolarHBondContact O-CD2 3.38Å; E157-Y159 PolarHBondContact O-N 2.79Å; E157-Y159 VanDerWaalsContact O-N 3.15Å
160	Q	49.3	Very low	61	Low	120 Å²	120	86.1 Å²	86.1	56%	0.561	44%	0.444	S	S	*	.	S	Bend	trans	-102	89.6	178.8	-66.2	-169.8	-12.3	0	0	109.9	E157 T162	E157-Q160 PolarHBondContact O-N 3.21Å; E157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-T162 PolarHBondContact O-N 3.5Å
161	L	46.1	Very low	61.1	Low	130 Å²	130	86.1 Å²	86.1	68%	0.681	45%	0.445	S	S	*	.	S	Bend	trans	-40.9	10.9	-175	-92.3	142.2	0	0	0	121.1	C67	C67-L161 HydrophobicContact CB-CD2 3.59Å; C67-L161 HydrophobicContact CB-CG 4.47Å; C67-L161 WeakPolarHBondContact SG-CD2 3.41Å; C67-L161 VanDerWaalsContact SG-CG 3.54Å
162	T	50.8	Low	61.5	Low	127 Å²	127	84.1 Å²	84.1	78%	0.779	43%	0.431	S	S	*	.			trans	-158.4	85.5	175.5	25.9	0	0	0	0	108.7	Q160 Q164	Q160-T162 PolarHBondContact O-N 3.5Å; T162-Q164 PolarHBondContact O-N 2.96Å
163	L	57.8	Low	62	Low	50 Å²	50	82.9 Å²	82.9	26%	0.262	42%	0.424	S	S	.	.			trans	-64.9	105.8	171.1	-87.3	154.3	0	0	0	108.9	E157 E165 K167 K168	E157-L163 HydrophobicContact CB-CD2 4.1Å; E157-L163 HydrophobicContact CG-CD2 4.02Å; L163-E165 PolarHBondContact O-N 3.31Å; L163-K167 HydrophobicContact CD2-CB 3.56Å; L163-K167 HydrophobicContact CD2-CD 4.06Å; L163-K167 HydrophobicContact CD2-CG 4.47Å; L163-K168 HydrophobicContact CB-CG 4.1Å
164	Q	64.6	Low	62.9	Low	128 Å²	128	83.2 Å²	83.2	60%	0.598	42%	0.42	S	S	*	.			trans	-50.9	136.3	160.5	-74.2	178.5	-63.4	0	0	108.3	T162 E166 K167	T162-Q164 PolarHBondContact O-N 2.96Å; Q164-E166 PolarHBondContact O-N 3.44Å; Q164-K167 PolarHBondContact O-N 3.36Å
165	E	71.2	Confident	63.8	Low	118 Å²	118	82.6 Å²	82.6	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-50.9	-31.8	-179.4	-77.3	-62.3	134.2	0	0	112.7	L163 K167 K168 E169	L163-E165 PolarHBondContact O-N 3.31Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 3.31Å; E165-K168 PolarHBondContact O-N 3.03Å; E165-K168 IonicContact OE1-NZ 3.23Å; E165-K168 PolarHBondContact OE1-NZ 3.38Å; E165-E169 WeakPolarHBondContact O-CB 3.2Å; E165-E169 PolarHBondContact O-N 2.92Å
166	E	71.1	Confident	65.1	Low	151 Å²	151	81.5 Å²	81.5	71%	0.706	40%	0.404	S	S	*	.	H	α-helix	trans	-56.4	-39.5	175.3	-63.6	-178.4	169.2	0	0	113.6	Q164 E169 G170	Q164-E166 PolarHBondContact O-N 3.44Å; E166-E169 PolarHBondContact O-N 3.15Å; E166-G170 PolarHBondContact O-N 3.29Å
167	K	69.5	Low	66.8	Low	82 Å²	82	77.4 Å²	77.4	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-71	-41.7	179.5	-76.8	-177.4	171.7	-168.7	0	111.7	E157 L163 Q164 E165 E169 G170 I171	E157-K167 WeakPolarHBondContact OE1-CB 3.37Å; E157-K167 WeakPolarHBondContact OE1-CD 3.27Å; L163-K167 HydrophobicContact CD2-CB 3.56Å; L163-K167 HydrophobicContact CD2-CD 4.06Å; L163-K167 HydrophobicContact CD2-CG 4.47Å; Q164-K167 PolarHBondContact O-N 3.36Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 3.31Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 2.89Å; K167-G170 PolarHBondContact O-N 2.92Å; K167-I171 WeakPolarHBondContact O-CG1 3.3Å; K167-I171 PolarHBondContact O-N 3.48Å
168	K	71.2	Confident	68.4	Low	47 Å²	47	77.4 Å²	77.4	20%	0.204	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-41.2	174.1	-64.1	-176.6	-169.8	163.9	0	111.1	Y63 L163 E165 I171 L172	Y63-K168 HydrophobicContact CE1-CD 4.49Å; Y63-K168 HydrophobicContact CE2-CB 3.75Å; Y63-K168 HydrophobicContact CE2-CD 4.5Å; Y63-K168 HydrophobicContact CE2-CG 4.47Å; L163-K168 HydrophobicContact CB-CG 4.1Å; E165-K168 PolarHBondContact O-N 3.03Å; E165-K168 IonicContact OE1-NZ 3.23Å; E165-K168 PolarHBondContact OE1-NZ 3.38Å; K168-I171 PolarHBondContact O-N 2.8Å; K168-L172 WeakPolarHBondContact O-CG 3.04Å; K168-L172 PolarHBondContact O-N 3.19Å; K168-L172 VanDerWaalsContact O-N 3.12Å
169	E	77.2	Confident	69.9	Low	61 Å²	61	74.8 Å²	74.8	29%	0.285	37%	0.371	S	S	.	.	H	α-helix	trans	-68.9	-38.6	177	-166.8	56.9	-150.5	0	0	111.5	R58 E165 E166 K167 I171 L172 N173	R58-E169 IonicContact NH2-OE2 2.78Å; R58-E169 PolarHBondContact NH2-OE2 3.43Å; E165-E169 WeakPolarHBondContact O-CB 3.2Å; E165-E169 PolarHBondContact O-N 2.92Å; E166-E169 PolarHBondContact O-N 3.15Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 2.89Å; E169-I171 VanDerWaalsContact C-N 3.32Å; E169-I171 PolarHBondContact O-N 3.28Å; E169-L172 PolarHBondContact O-N 2.94Å; E169-L172 VanDerWaalsContact O-N 3.14Å; E169-N173 WeakPolarHBondContact O-CB 3.4Å; E169-N173 PolarHBondContact O-N 3.44Å; E169-N173 PolarHBondContact O-ND2 3.41Å
170	G	79	Confident	71.7	Confident	38 Å²	38	68.9 Å²	68.9	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-43.6	172.8	0	0	0	0	0	112.8	E166 K167 N173 F174	E166-G170 PolarHBondContact O-N 3.29Å; K167-G170 PolarHBondContact O-N 2.92Å; G170-N173 PolarHBondContact O-N 2.81Å; G170-F174 WeakPolarHBondContact O-CB 3.24Å; G170-F174 PolarHBondContact O-N 3.01Å
171	I	75.4	Confident	73.4	Confident	23 Å²	23	65.5 Å²	65.5	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-45.7	173.3	-72.4	167.4	0	0	0	111.9	R150 E157 K167 K168 E169 N173 F174 D175	R150-I171 VanDerWaalsContact NH1-CG2 3.32Å; E157-I171 WeakPolarHBondContact OE2-CD1 3.33Å; K167-I171 WeakPolarHBondContact O-CG1 3.3Å; K167-I171 PolarHBondContact O-N 3.48Å; K168-I171 PolarHBondContact O-N 2.8Å; E169-I171 VanDerWaalsContact C-N 3.32Å; E169-I171 PolarHBondContact O-N 3.28Å; I171-N173 VanDerWaalsContact C-N 3.34Å; I171-F174 PolarHBondContact O-N 3.01Å; I171-D175 WeakPolarHBondContact O-CB 3.11Å; I171-D175 PolarHBondContact O-N 3.09Å
172	L	76.6	Confident	75.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-41.7	179.2	-74.3	173.3	0	0	0	111.6	T57 R58 Y63 K168 E169 D175 R176	T57-L172 HydrophobicContact CG2-CD2 3.65Å; R58-L172 HydrophobicContact CG-CD1 3.89Å; R58-L172 HydrophobicContact CG-CD2 4.1Å; Y63-L172 HydrophobicContact CD2-CD1 4.47Å; Y63-L172 HydrophobicContact CD2-CD2 4.25Å; Y63-L172 HydrophobicContact CD2-CG 4.27Å; Y63-L172 HydrophobicContact CE2-CD1 3.48Å; Y63-L172 VanDerWaalsContact CE2-CD1 3.48Å; Y63-L172 HydrophobicContact CE2-CD2 4.02Å; Y63-L172 HydrophobicContact CE2-CG 3.62Å; Y63-L172 WeakPolarHBondContact OH-CD1 3.17Å; K168-L172 WeakPolarHBondContact O-CG 3.04Å; K168-L172 PolarHBondContact O-N 3.19Å; K168-L172 VanDerWaalsContact O-N 3.12Å; E169-L172 PolarHBondContact O-N 2.94Å; E169-L172 VanDerWaalsContact O-N 3.14Å; L172-D175 PolarHBondContact O-N 2.98Å; L172-R176 VanDerWaalsContact O-CB 3.23Å; L172-R176 WeakPolarHBondContact O-CB 3.28Å; L172-R176 PolarHBondContact O-N 2.95Å
173	N	81.2	Confident	76.7	Confident	78 Å²	78	54.4 Å²	54.4	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-41.6	177.5	-74.8	-34.4	0	0	0	111.9	E169 G170 I171 R176 A177	E169-N173 WeakPolarHBondContact O-CB 3.4Å; E169-N173 PolarHBondContact O-N 3.44Å; E169-N173 PolarHBondContact O-ND2 3.41Å; G170-N173 PolarHBondContact O-N 2.81Å; I171-N173 VanDerWaalsContact C-N 3.34Å; N173-R176 PolarHBondContact O-N 2.93Å; N173-A177 WeakPolarHBondContact O-CB 3.39Å; N173-A177 PolarHBondContact O-N 3.34Å
174	F	81.2	Confident	78.1	Confident	56 Å²	56	57 Å²	57	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-54.5	171.7	173.8	-100.4	0	0	0	110.7	Y146 Q149 G170 I171 R176 A177 E178	Y146-F174 AromaticContact CD2-CE1 3.92Å; Y146-F174 HydrophobicContact CD2-CE1 3.92Å; Y146-F174 HydrophobicContact CD2-CZ 4.27Å; Y146-F174 AromaticContact CE2-CE1 3.88Å; Y146-F174 HydrophobicContact CE2-CE1 3.88Å; Q149-F174 HydrophobicContact CB-CZ 4.04Å; Q149-F174 VanDerWaalsContact OE1-CZ 3.27Å; G170-F174 WeakPolarHBondContact O-CB 3.24Å; G170-F174 PolarHBondContact O-N 3.01Å; I171-F174 PolarHBondContact O-N 3.01Å; F174-R176 PolarHBondContact O-N 2.72Å; F174-A177 PolarHBondContact O-N 3.31Å; F174-E178 HydrophobicContact CD1-CG 4.35Å; F174-E178 HydrophobicContact CD2-CG 4.25Å; F174-E178 HydrophobicContact CE1-CG 3.99Å; F174-E178 HydrophobicContact CE2-CG 3.88Å; F174-E178 HydrophobicContact CG-CG 4.48Å; F174-E178 HydrophobicContact CZ-CG 3.73Å; F174-E178 VanDerWaalsContact O-CG 3.23Å; F174-E178 WeakPolarHBondContact O-CG 3.35Å; F174-E178 PolarHBondContact O-N 3.28Å
175	D	77.4	Confident	79.2	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-38.7	179.7	-85.2	-26	0	0	0	112.1	Y53 T57 Y146 R150 I171 L172 V179	Y53-D175 HydrophobicContact CE1-CB 3.77Å; Y53-D175 WeakPolarHBondContact OH-CB 3.47Å; T57-D175 HydrophobicContact CG2-CB 4.49Å; T57-D175 WeakPolarHBondContact CG2-OD2 3.33Å; Y146-D175 WeakPolarHBondContact CE2-OD1 3.28Å; Y146-D175 PolarHBondContact OH-OD1 3.06Å; R150-D175 VanDerWaalsContact CD-OD1 3.27Å; R150-D175 WeakPolarHBondContact CD-OD1 3.46Å; R150-D175 IonicContact CZ-OD1 3.67Å; R150-D175 IonicContact CZ-OD2 2.84Å; R150-D175 VanDerWaalsContact CZ-OD2 3.25Å; R150-D175 IonicContact NE-OD1 3.83Å; R150-D175 PolarHBondContact NE-OD1 2.87Å; R150-D175 IonicContact NE-OD2 3.4Å; R150-D175 PolarHBondContact NE-OD2 3.36Å; R150-D175 IonicContact NH2-OD2 3.92Å; R150-D175 PolarHBondContact NH2-OD2 3.28Å; I171-D175 WeakPolarHBondContact O-CB 3.11Å; I171-D175 PolarHBondContact O-N 3.09Å; L172-D175 PolarHBondContact O-N 2.98Å; D175-V179 WeakPolarHBondContact O-CG2 3.43Å; D175-V179 PolarHBondContact O-N 3.34Å; D175-V179 VanDerWaalsContact O-N 3.16Å
176	R	78.2	Confident	79.9	Confident	72 Å²	72	47.7 Å²	47.7	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-50.7	176.7	-178.9	-168.2	-79.7	-110	5.3	111.8	L50 E54 L172 N173 F174 E178 V179 E180	L50-R176 HydrophobicContact CD2-CG 3.38Å; E54-R176 IonicContact OE1-CZ 3.38Å; E54-R176 IonicContact OE1-NE 3.34Å; E54-R176 IonicContact OE1-NH2 2.68Å; E54-R176 PolarHBondContact OE1-NH2 3.23Å; E54-R176 IonicContact OE2-NH2 3.98Å; L172-R176 VanDerWaalsContact O-CB 3.23Å; L172-R176 WeakPolarHBondContact O-CB 3.28Å; L172-R176 PolarHBondContact O-N 2.95Å; N173-R176 PolarHBondContact O-N 2.93Å; F174-R176 PolarHBondContact O-N 2.72Å; R176-E178 PolarHBondContact O-N 2.77Å; R176-V179 PolarHBondContact O-N 2.91Å; R176-E180 PolarHBondContact O-N 3.45Å
177	A	84	Confident	80.6	Confident	47 Å²	47	45.5 Å²	45.5	39%	0.388	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-38.2	179.5	0	0	0	0	0	111.2	N173 F174 E180 S181	N173-A177 WeakPolarHBondContact O-CB 3.39Å; N173-A177 PolarHBondContact O-N 3.34Å; F174-A177 PolarHBondContact O-N 3.31Å; A177-E180 PolarHBondContact O-N 2.87Å; A177-S181 WeakPolarHBondContact O-CB 2.8Å; A177-S181 PolarHBondContact O-N 2.82Å
178	E	82.5	Confident	81.6	Confident	31 Å²	31	43.1 Å²	43.1	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-41.8	178.3	-67.6	-68.6	110.7	0	0	111.6	W142 Y146 F174 R176 E180 S181 L182	W142-E178 HydrophobicContact CH2-CB 3.86Å; W142-E178 WeakPolarHBondContact CH2-O 3.37Å; W142-E178 HydrophobicContact CZ2-CB 3.54Å; W142-E178 VanDerWaalsContact CZ2-CD 3.49Å; W142-E178 HydrophobicContact CZ2-CG 4.1Å; W142-E178 WeakPolarHBondContact CZ2-O 3.49Å; W142-E178 WeakPolarHBondContact CZ2-OE2 3.49Å; W142-E178 PolarHBondContact NE1-OE2 3.23Å; Y146-E178 HydrophobicContact CD2-CB 3.84Å; Y146-E178 HydrophobicContact CD2-CG 3.77Å; Y146-E178 HydrophobicContact CE2-CB 4.03Å; Y146-E178 HydrophobicContact CE2-CG 4.16Å; F174-E178 HydrophobicContact CD1-CG 4.35Å; F174-E178 HydrophobicContact CD2-CG 4.25Å; F174-E178 HydrophobicContact CE1-CG 3.99Å; F174-E178 HydrophobicContact CE2-CG 3.88Å; F174-E178 HydrophobicContact CG-CG 4.48Å; F174-E178 HydrophobicContact CZ-CG 3.73Å; F174-E178 VanDerWaalsContact O-CG 3.23Å; F174-E178 WeakPolarHBondContact O-CG 3.35Å; F174-E178 PolarHBondContact O-N 3.28Å; R176-E178 PolarHBondContact O-N 2.77Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-E180 PolarHBondContact O-N 3.27Å; E178-S181 PolarHBondContact O-N 3.02Å; E178-L182 PolarHBondContact O-N 2.83Å
179	V	78.5	Confident	82.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-43	174.1	177.3	0	0	0	0	111.6	Y53 F80 D175 R176 L182 I183	Y53-V179 HydrophobicContact CD1-CG2 4.06Å; Y53-V179 HydrophobicContact CD2-CG2 3.73Å; Y53-V179 HydrophobicContact CE1-CG2 3.71Å; Y53-V179 HydrophobicContact CE2-CG2 3.37Å; Y53-V179 HydrophobicContact CG-CG2 4.06Å; F80-V179 HydrophobicContact CE1-CG2 4.29Å; F80-V179 HydrophobicContact CE2-CB 4.33Å; F80-V179 HydrophobicContact CE2-CG1 4.18Å; F80-V179 HydrophobicContact CE2-CG2 3.52Å; F80-V179 HydrophobicContact CZ-CB 4.17Å; F80-V179 HydrophobicContact CZ-CG1 4.45Å; F80-V179 HydrophobicContact CZ-CG2 3.35Å; D175-V179 WeakPolarHBondContact O-CG2 3.43Å; D175-V179 PolarHBondContact O-N 3.34Å; D175-V179 VanDerWaalsContact O-N 3.16Å; R176-V179 PolarHBondContact O-N 2.91Å; V179-L182 PolarHBondContact O-N 3.33Å; V179-I183 HydrophobicContact CG1-CD1 3.81Å; V179-I183 HydrophobicContact CG1-CG1 4.46Å; V179-I183 VanDerWaalsContact O-CG1 3.28Å; V179-I183 WeakPolarHBondContact O-CG1 3.09Å; V179-I183 PolarHBondContact O-N 3.22Å
180	E	82.5	Confident	82.9	Confident	80 Å²	80	39 Å²	39	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-59.9	-50.5	176.2	-83.7	169.4	-170.7	0	0	111.7	L50 R176 A177 E178 L182 I183 V184	L50-E180 HydrophobicContact CD1-CG 3.63Å; L50-E180 VanDerWaalsContact CD1-OE1 3.24Å; L50-E180 WeakPolarHBondContact CD1-OE1 3.43Å; L50-E180 HydrophobicContact CD2-CG 3.78Å; L50-E180 WeakPolarHBondContact CD2-OE1 3.49Å; L50-E180 HydrophobicContact CG-CG 4.14Å; R176-E180 PolarHBondContact O-N 3.45Å; A177-E180 PolarHBondContact O-N 2.87Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-E180 PolarHBondContact O-N 3.27Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 2.86Å; E180-I183 PolarHBondContact O-N 2.65Å; E180-I183 VanDerWaalsContact O-N 3.09Å; E180-V184 WeakPolarHBondContact O-CG2 3.3Å; E180-V184 PolarHBondContact O-N 3.29Å
181	S	85.8	Confident	83.5	Confident	50 Å²	50	45.1 Å²	45.1	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-56.4	-43.2	178.2	-175.4	0	0	0	0	111.6	A177 E178 S185	A177-S181 WeakPolarHBondContact O-CB 2.8Å; A177-S181 PolarHBondContact O-N 2.82Å; E178-S181 PolarHBondContact O-N 3.02Å; S181-S185 WeakPolarHBondContact O-CB 3.37Å; S181-S185 PolarHBondContact O-N 2.94Å; S181-S185 PolarHBondContact O-OG 3.06Å
182	L	82	Confident	84.2	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-50.3	174.2	177.5	79.2	0	0	0	112.2	F48 F84 I139 W142 E178 V179 E180 V184 S185 L186	F48-L182 HydrophobicContact CD1-CD2 4.22Å; F48-L182 HydrophobicContact CE1-CD2 3.48Å; F48-L182 VanDerWaalsContact CE1-CD2 3.48Å; F48-L182 HydrophobicContact CZ-CD2 4.38Å; F84-L182 HydrophobicContact CE1-CD1 3.27Å; F84-L182 HydrophobicContact CE1-CD2 3.69Å; F84-L182 HydrophobicContact CE1-CG 3.97Å; F84-L182 HydrophobicContact CE2-CD2 3.51Å; F84-L182 HydrophobicContact CZ-CB 4.25Å; F84-L182 HydrophobicContact CZ-CD1 3.33Å; F84-L182 HydrophobicContact CZ-CD2 2.94Å; F84-L182 HydrophobicContact CZ-CG 3.53Å; I139-L182 HydrophobicContact CG2-CD1 4.2Å; W142-L182 HydrophobicContact CE3-CD1 4.3Å; W142-L182 HydrophobicContact CH2-CB 3.89Å; W142-L182 HydrophobicContact CZ3-CB 3.94Å; W142-L182 HydrophobicContact CZ3-CD1 3.97Å; W142-L182 HydrophobicContact CZ3-CG 4.45Å; E178-L182 PolarHBondContact O-N 2.83Å; V179-L182 PolarHBondContact O-N 3.33Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 2.86Å; L182-V184 PolarHBondContact O-N 3.46Å; L182-S185 CarbonylContact O-C 3.55Å; L182-S185 WeakPolarHBondContact O-CB 3.48Å; L182-S185 PolarHBondContact O-N 3.26Å; L182-L186 HydrophobicContact CD1-CD1 4.11Å; L182-L186 HydrophobicContact CD1-CG 4.05Å; L182-L186 HydrophobicContact CD2-CD1 3.85Å; L182-L186 HydrophobicContact CG-CD1 3.81Å; L182-L186 HydrophobicContact CG-CG 4.06Å; L182-L186 WeakPolarHBondContact O-CB 3.17Å; L182-L186 WeakPolarHBondContact O-CG 3.41Å; L182-L186 PolarHBondContact O-N 3.02Å
183	I	83.3	Confident	84.6	Confident	22 Å²	22	45.9 Å²	45.9	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-44.8	-176	-73.2	164.1	0	0	0	109.8	L43 F48 V179 E180 L186 K187	L43-I183 HydrophobicContact CD2-CB 4.41Å; L43-I183 HydrophobicContact CD2-CG1 4.13Å; L43-I183 HydrophobicContact CD2-CG2 4.25Å; F48-I183 HydrophobicContact CB-CD1 4.13Å; F48-I183 HydrophobicContact CB-CG1 4.37Å; F48-I183 HydrophobicContact CD1-CD1 4.33Å; F48-I183 HydrophobicContact CD1-CG1 3.98Å; F48-I183 WeakPolarHBondContact O-CD1 3.3Å; V179-I183 HydrophobicContact CG1-CD1 3.81Å; V179-I183 HydrophobicContact CG1-CG1 4.46Å; V179-I183 VanDerWaalsContact O-CG1 3.28Å; V179-I183 WeakPolarHBondContact O-CG1 3.09Å; V179-I183 PolarHBondContact O-N 3.22Å; E180-I183 PolarHBondContact O-N 2.65Å; E180-I183 VanDerWaalsContact O-N 3.09Å; I183-L186 PolarHBondContact O-N 3.12Å; I183-K187 HydrophobicContact CG2-CD 4.24Å; I183-K187 WeakPolarHBondContact O-CG 3.49Å; I183-K187 PolarHBondContact O-N 3.33Å
184	V	88.3	Confident	85.1	Confident	103 Å²	103	44.1 Å²	44.1	62%	0.624	24%	0.241	S	C	*	.	H	α-helix	trans	-60	-47.8	174.9	174.5	0	0	0	0	110.5	E180 L182 L186 K187 G188	E180-V184 WeakPolarHBondContact O-CG2 3.3Å; E180-V184 PolarHBondContact O-N 3.29Å; L182-V184 PolarHBondContact O-N 3.46Å; V184-L186 PolarHBondContact O-N 3.43Å; V184-K187 PolarHBondContact O-N 3.12Å; V184-G188 PolarHBondContact O-N 3.19Å
185	S	87	Confident	85.6	Confident	47 Å²	47	47.6 Å²	47.6	33%	0.329	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-41.8	179.7	-58.3	0	0	0	0	112.9	S181 L182 G188 L189	S181-S185 WeakPolarHBondContact O-CB 3.37Å; S181-S185 PolarHBondContact O-N 2.94Å; S181-S185 PolarHBondContact O-OG 3.06Å; L182-S185 CarbonylContact O-C 3.55Å; L182-S185 WeakPolarHBondContact O-CB 3.48Å; L182-S185 PolarHBondContact O-N 3.26Å; S185-G188 PolarHBondContact O-N 2.94Å; S185-L189 PolarHBondContact O-N 3.13Å
186	L	85.2	Confident	86.3	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-39.3	178	-74	178.8	0	0	0	112.3	I39 L43 F87 I139 L182 I183 V184 L189 I190	I39-L186 HydrophobicContact CG2-CB 3.95Å; I39-L186 HydrophobicContact CG2-CD2 4.18Å; I39-L186 HydrophobicContact CG2-CG 4.48Å; L43-L186 HydrophobicContact CD1-CB 4.22Å; L43-L186 HydrophobicContact CD2-CB 4.08Å; L43-L186 HydrophobicContact CD2-CD1 3.84Å; L43-L186 HydrophobicContact CG-CB 4.48Å; F87-L186 HydrophobicContact CD2-CD2 4.47Å; F87-L186 HydrophobicContact CE1-CD2 4.16Å; F87-L186 HydrophobicContact CE2-CD2 3.58Å; F87-L186 HydrophobicContact CZ-CD2 3.39Å; I139-L186 HydrophobicContact CD1-CD2 4.47Å; L182-L186 HydrophobicContact CD1-CD1 4.11Å; L182-L186 HydrophobicContact CD1-CG 4.05Å; L182-L186 HydrophobicContact CD2-CD1 3.85Å; L182-L186 HydrophobicContact CG-CD1 3.81Å; L182-L186 HydrophobicContact CG-CG 4.06Å; L182-L186 WeakPolarHBondContact O-CB 3.17Å; L182-L186 WeakPolarHBondContact O-CG 3.41Å; L182-L186 PolarHBondContact O-N 3.02Å; I183-L186 PolarHBondContact O-N 3.12Å; V184-L186 PolarHBondContact O-N 3.43Å; L186-L189 PolarHBondContact O-N 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 2.92Å; L186-I190 VanDerWaalsContact O-N 3.1Å
187	K	87.4	Confident	86.8	Confident	106 Å²	106	46.6 Å²	46.6	46%	0.461	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-45.1	172.1	-74.2	176.7	176.8	179.1	0	111	L43 I183 V184 L189 I190 Y191	L43-K187 HydrophobicContact CD1-CG 3.77Å; I183-K187 HydrophobicContact CG2-CD 4.24Å; I183-K187 WeakPolarHBondContact O-CG 3.49Å; I183-K187 PolarHBondContact O-N 3.33Å; V184-K187 PolarHBondContact O-N 3.12Å; K187-L189 VanDerWaalsContact C-N 3.28Å; K187-L189 PolarHBondContact O-N 3.3Å; K187-I190 WeakPolarHBondContact O-CB 3.21Å; K187-I190 PolarHBondContact O-N 2.87Å; K187-I190 VanDerWaalsContact O-N 3.14Å; K187-Y191 HydrophobicContact CB-CE2 4.33Å; K187-Y191 WeakPolarHBondContact O-CD2 3.38Å; K187-Y191 PolarHBondContact O-N 3.16Å
188	G	89.9	Confident	87.1	Confident	32 Å²	32	47.4 Å²	47.4	33%	0.33	25%	0.25	S	C	.	.	H	α-helix	trans	-53.2	-46.6	173.3	0	0	0	0	0	111.8	V184 S185 I190 Y191 S192	V184-G188 PolarHBondContact O-N 3.19Å; S185-G188 PolarHBondContact O-N 2.94Å; G188-I190 PolarHBondContact O-N 3.38Å; G188-Y191 PolarHBondContact O-N 3.01Å; G188-Y191 VanDerWaalsContact O-N 3.16Å; G188-S192 PolarHBondContact O-N 3.34Å; G188-S192 PolarHBondContact O-OG 3.25Å; G188-S192 VanDerWaalsContact O-OG 3.07Å
189	L	87.3	Confident	87.6	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-42.5	177.3	-177.2	61.1	0	0	0	112.8	I39 F87 I132 I136 I139 S185 L186 K187 Y191 S192 F193	I39-L189 HydrophobicContact CD1-CD2 3.97Å; I39-L189 HydrophobicContact CD1-CG 4.34Å; F87-L189 HydrophobicContact CZ-CD2 4.32Å; I132-L189 HydrophobicContact CG2-CD1 4.09Å; I136-L189 HydrophobicContact CD1-CD1 4.21Å; I136-L189 HydrophobicContact CG1-CD1 3.74Å; I136-L189 HydrophobicContact CG1-CD2 3.86Å; I136-L189 HydrophobicContact CG1-CG 4.48Å; I139-L189 HydrophobicContact CD1-CB 4.37Å; I139-L189 HydrophobicContact CD1-CD2 4.14Å; S185-L189 PolarHBondContact O-N 3.13Å; L186-L189 PolarHBondContact O-N 3.27Å; K187-L189 VanDerWaalsContact C-N 3.28Å; K187-L189 PolarHBondContact O-N 3.3Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-S192 PolarHBondContact O-N 3.4Å; L189-F193 HydrophobicContact CD1-CD2 4.08Å; L189-F193 HydrophobicContact CD1-CE2 3.91Å; L189-F193 HydrophobicContact CD2-CE2 4.27Å; L189-F193 HydrophobicContact CG-CD2 3.97Å; L189-F193 HydrophobicContact CG-CE2 3.82Å; L189-F193 WeakPolarHBondContact O-CD2 3.42Å; L189-F193 PolarHBondContact O-N 3.4Å
190	I	88.7	Confident	88.2	Confident	16 Å²	16	47.5 Å²	47.5	8%	0.082	25%	0.25	C	C	.	.	H	α-helix	trans	-58.3	-47.1	174.3	-67.8	159.5	0	0	0	110.3	M36 I39 E40 L43 L186 K187 G188 S192 F193 A194	M36-I190 HydrophobicContact CB-CG2 4.19Å; M36-I190 HydrophobicContact CG-CG2 4.18Å; M36-I190 HydrophobicContact SD-CG2 4.35Å; I39-I190 HydrophobicContact CB-CD1 3.86Å; I39-I190 HydrophobicContact CB-CG1 3.85Å; I39-I190 HydrophobicContact CD1-CG1 4.22Å; I39-I190 HydrophobicContact CG2-CD1 3.53Å; I39-I190 HydrophobicContact CG2-CG1 3.78Å; E40-I190 HydrophobicContact CG-CD1 3.65Å; L43-I190 HydrophobicContact CD1-CD1 3.96Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 2.92Å; L186-I190 VanDerWaalsContact O-N 3.1Å; K187-I190 WeakPolarHBondContact O-CB 3.21Å; K187-I190 PolarHBondContact O-N 2.87Å; K187-I190 VanDerWaalsContact O-N 3.14Å; G188-I190 PolarHBondContact O-N 3.38Å; I190-S192 PolarHBondContact O-N 3.05Å; I190-F193 WeakPolarHBondContact O-CB 3.07Å; I190-F193 PolarHBondContact O-N 3.01Å; I190-A194 PolarHBondContact O-N 3.03Å
191	Y	91.5	Very high	88.5	Confident	167 Å²	167	50.5 Å²	50.5	66%	0.655	26%	0.262	S	S	*	.	H	α-helix	trans	-62.2	-42	178.4	-67.8	-54.6	0	0	0	112.4	K187 G188 L189 F193 A194 Y195	K187-Y191 HydrophobicContact CB-CE2 4.33Å; K187-Y191 WeakPolarHBondContact O-CD2 3.38Å; K187-Y191 PolarHBondContact O-N 3.16Å; G188-Y191 PolarHBondContact O-N 3.01Å; G188-Y191 VanDerWaalsContact O-N 3.16Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; Y191-F193 VanDerWaalsContact C-N 3.32Å; Y191-F193 PolarHBondContact O-N 3.33Å; Y191-A194 PolarHBondContact O-N 3.16Å; Y191-Y195 WeakPolarHBondContact O-CB 3.11Å; Y191-Y195 PolarHBondContact O-N 3.39Å
192	S	89.5	Confident	88.8	Confident	40 Å²	40	55.1 Å²	55.1	28%	0.28	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-42.2	176.8	-53.4	0	0	0	0	111.6	G188 L189 I190 Y195 L196	G188-S192 PolarHBondContact O-N 3.34Å; G188-S192 PolarHBondContact O-OG 3.25Å; G188-S192 VanDerWaalsContact O-OG 3.07Å; L189-S192 PolarHBondContact O-N 3.4Å; I190-S192 PolarHBondContact O-N 3.05Å; S192-Y195 PolarHBondContact O-N 2.92Å; S192-L196 WeakPolarHBondContact O-CB 3.03Å; S192-L196 PolarHBondContact O-N 3.46Å
193	F	86.4	Confident	89.2	Confident	3 Å²	3	57 Å²	57	1%	0.013	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-45.7	174.2	-85.8	-72.7	0	0	0	112.9	F32 H35 M36 I39 V93 K97 L189 I190 Y191 Y195 L196 H197	F32-F193 HydrophobicContact CB-CD1 4.32Å; F32-F193 AromaticContact CD1-CD1 3.87Å; F32-F193 HydrophobicContact CD1-CD1 3.87Å; F32-F193 AromaticContact CD1-CE1 3.6Å; F32-F193 HydrophobicContact CD1-CE1 3.6Å; F32-F193 AromaticContact CD2-CD1 3.93Å; F32-F193 HydrophobicContact CD2-CD1 3.93Å; F32-F193 HydrophobicContact CD2-CE1 4.46Å; F32-F193 HydrophobicContact CE1-CD1 4.08Å; F32-F193 AromaticContact CE1-CE1 3.67Å; F32-F193 HydrophobicContact CE1-CE1 3.67Å; F32-F193 HydrophobicContact CE2-CD1 4.18Å; F32-F193 AromaticContact CG-CD1 3.76Å; F32-F193 HydrophobicContact CG-CD1 3.76Å; F32-F193 AromaticContact CG-CE1 3.99Å; F32-F193 HydrophobicContact CG-CE1 3.99Å; F32-F193 HydrophobicContact CZ-CD1 4.23Å; F32-F193 HydrophobicContact CZ-CE1 4.17Å; H35-F193 HydrophobicContact CB-CZ 4.29Å; M36-F193 HydrophobicContact CG-CB 3.66Å; M36-F193 HydrophobicContact CG-CD2 4.4Å; M36-F193 HydrophobicContact CG-CG 4.23Å; M36-F193 HydrophobicContact SD-CB 3.55Å; M36-F193 VanDerWaalsContact SD-CB 3.55Å; I39-F193 HydrophobicContact CD1-CE2 4.44Å; V93-F193 HydrophobicContact CG1-CZ 4.1Å; K97-F193 HydrophobicContact CD-CE1 4.46Å; L189-F193 HydrophobicContact CD1-CD2 4.08Å; L189-F193 HydrophobicContact CD1-CE2 3.91Å; L189-F193 HydrophobicContact CD2-CE2 4.27Å; L189-F193 HydrophobicContact CG-CD2 3.97Å; L189-F193 HydrophobicContact CG-CE2 3.82Å; L189-F193 WeakPolarHBondContact O-CD2 3.42Å; L189-F193 PolarHBondContact O-N 3.4Å; I190-F193 WeakPolarHBondContact O-CB 3.07Å; I190-F193 PolarHBondContact O-N 3.01Å; Y191-F193 VanDerWaalsContact C-N 3.32Å; Y191-F193 PolarHBondContact O-N 3.33Å; F193-Y195 VanDerWaalsContact C-N 3.33Å; F193-L196 PolarHBondContact O-N 2.66Å; F193-H197 WeakPolarHBondContact O-CB 3.27Å; F193-H197 PolarHBondContact O-N 2.92Å
194	A	90	Very high	89.5	Confident	41 Å²	41	58.5 Å²	58.5	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-43	179	0	0	0	0	0	111.1	M36 I190 Y191 H197 D198	M36-A194 HydrophobicContact SD-CB 3.88Å; M36-A194 PolarHBondContact SD-N 3.36Å; I190-A194 PolarHBondContact O-N 3.03Å; Y191-A194 PolarHBondContact O-N 3.16Å; A194-H197 PolarHBondContact O-N 2.99Å; A194-D198 WeakPolarHBondContact O-CB 3.14Å; A194-D198 PolarHBondContact O-N 2.89Å
195	Y	92.8	Very high	89.4	Confident	130 Å²	130	59.7 Å²	59.7	51%	0.51	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-46.4	177.2	-175.2	-102	0	0	0	112.1	L128 Y191 S192 F193 H197 D198 F199	L128-Y195 HydrophobicContact CD1-CD1 3.94Å; L128-Y195 HydrophobicContact CD1-CE1 3.62Å; L128-Y195 HydrophobicContact CD2-CD1 3.87Å; L128-Y195 HydrophobicContact CD2-CE1 3.65Å; L128-Y195 HydrophobicContact CG-CE1 4.29Å; Y191-Y195 WeakPolarHBondContact O-CB 3.11Å; Y191-Y195 PolarHBondContact O-N 3.39Å; S192-Y195 PolarHBondContact O-N 2.92Å; F193-Y195 VanDerWaalsContact C-N 3.33Å; Y195-H197 VanDerWaalsContact C-N 3.32Å; Y195-H197 PolarHBondContact O-N 3.07Å; Y195-D198 PolarHBondContact O-N 3.21Å; Y195-F199 VanDerWaalsContact O-CB 3.23Å; Y195-F199 WeakPolarHBondContact O-CB 3.35Å; Y195-F199 PolarHBondContact O-N 3.14Å
196	L	91	Very high	89.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-43.9	175.3	173.4	63.8	0	0	0	111.5	F32 L100 L128 V129 I132 S192 F193 F199 V200	F32-L196 HydrophobicContact CE2-CD2 3.49Å; F32-L196 VanDerWaalsContact CE2-CD2 3.49Å; F32-L196 HydrophobicContact CE2-CG 4.14Å; F32-L196 HydrophobicContact CZ-CD2 3.97Å; L100-L196 HydrophobicContact CD2-CD2 3.96Å; L100-L196 HydrophobicContact CD2-CG 4.48Å; L128-L196 HydrophobicContact CB-CD1 3.91Å; L128-L196 HydrophobicContact CD1-CD1 4.49Å; V129-L196 HydrophobicContact CG2-CD1 3.92Å; V129-L196 HydrophobicContact CG2-CD2 3.76Å; I132-L196 HydrophobicContact CD1-CB 3.64Å; I132-L196 HydrophobicContact CD1-CD2 3.41Å; I132-L196 VanDerWaalsContact CD1-CD2 3.41Å; I132-L196 HydrophobicContact CD1-CG 4.13Å; S192-L196 WeakPolarHBondContact O-CB 3.03Å; S192-L196 PolarHBondContact O-N 3.46Å; F193-L196 PolarHBondContact O-N 2.66Å; L196-F199 PolarHBondContact O-N 3.38Å; L196-V200 HydrophobicContact CD1-CG2 3.77Å; L196-V200 HydrophobicContact CG-CG2 4.45Å; L196-V200 WeakPolarHBondContact O-CB 3.28Å; L196-V200 VanDerWaalsContact O-CG2 3.31Å; L196-V200 WeakPolarHBondContact O-CG2 3.25Å; L196-V200 PolarHBondContact O-N 2.71Å
197	H	89	Confident	89.7	Confident	53 Å²	53	60.7 Å²	60.7	25%	0.245	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-49.3	177.2	171.4	-87.4	0	0	0	111.6	L28 F193 A194 Y195 K201	L28-H197 PolarHBondContact O-CD2 3.31Å; F193-H197 WeakPolarHBondContact O-CB 3.27Å; F193-H197 PolarHBondContact O-N 2.92Å; A194-H197 PolarHBondContact O-N 2.99Å; Y195-H197 VanDerWaalsContact C-N 3.32Å; Y195-H197 PolarHBondContact O-N 3.07Å; H197-K201 VanDerWaalsContact O-CB 3.27Å; H197-K201 WeakPolarHBondContact O-CB 3.37Å; H197-K201 PolarHBondContact O-N 3.28Å
198	D	91.4	Very high	89.7	Confident	63 Å²	63	58 Å²	58	34%	0.337	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-44.6	178.9	-173.9	61.4	0	0	0	111.9	A194 Y195 K201 K202	A194-D198 WeakPolarHBondContact O-CB 3.14Å; A194-D198 PolarHBondContact O-N 2.89Å; Y195-D198 PolarHBondContact O-N 3.21Å; D198-K201 PolarHBondContact O-N 3.42Å; D198-K202 WeakPolarHBondContact O-CB 3.41Å; D198-K202 WeakPolarHBondContact O-CG 3.36Å; D198-K202 PolarHBondContact O-N 3.04Å; D198-K202 WeakPolarHBondContact OD1-CE 3.48Å; D198-K202 IonicContact OD1-NZ 2.75Å; D198-K202 PolarHBondContact OD1-NZ 3.5Å; D198-K202 WeakPolarHBondContact OD2-CD 3.47Å; D198-K202 VanDerWaalsContact OD2-CE 3.24Å; D198-K202 WeakPolarHBondContact OD2-CE 3.24Å; D198-K202 IonicContact OD2-NZ 2.84Å; D198-K202 PolarHBondContact OD2-NZ 3.47Å
199	F	93.3	Very high	89.5	Confident	33 Å²	33	59.5 Å²	59.5	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-51	177.9	-175.4	-87.4	0	0	0	111.6	T121 A124 A125 L128 Y195 L196 K201 K202 N203	T121-F199 HydrophobicContact CG2-CE1 4.3Å; T121-F199 HydrophobicContact CG2-CZ 4.22Å; A124-F199 HydrophobicContact CB-CE1 4.39Å; A124-F199 HydrophobicContact CB-CZ 3.87Å; A125-F199 HydrophobicContact CB-CD1 4.22Å; A125-F199 HydrophobicContact CB-CE1 3.91Å; L128-F199 HydrophobicContact CD1-CB 4.03Å; L128-F199 HydrophobicContact CD1-CD1 3.92Å; L128-F199 HydrophobicContact CD1-CD2 4.13Å; L128-F199 HydrophobicContact CD1-CE1 4.46Å; L128-F199 HydrophobicContact CD1-CG 3.74Å; Y195-F199 VanDerWaalsContact O-CB 3.23Å; Y195-F199 WeakPolarHBondContact O-CB 3.35Å; Y195-F199 PolarHBondContact O-N 3.14Å; L196-F199 PolarHBondContact O-N 3.38Å; F199-K201 VanDerWaalsContact C-N 3.33Å; F199-K201 PolarHBondContact O-N 3.42Å; F199-K202 PolarHBondContact O-N 2.86Å; F199-N203 WeakPolarHBondContact O-CB 2.9Å; F199-N203 PolarHBondContact O-N 2.85Å; F199-N203 PolarHBondContact O-ND2 2.86Å
200	V	90.3	Very high	89.3	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-40.3	-179.7	174.6	0	0	0	0	110.8	L28 L196 N203 M204 I207	L28-V200 HydrophobicContact CD1-CB 4.36Å; L28-V200 HydrophobicContact CD1-CG1 3.55Å; L28-V200 HydrophobicContact CD2-CB 4.29Å; L28-V200 HydrophobicContact CD2-CG1 4.35Å; L28-V200 HydrophobicContact CD2-CG2 4.45Å; L196-V200 HydrophobicContact CD1-CG2 3.77Å; L196-V200 HydrophobicContact CG-CG2 4.45Å; L196-V200 WeakPolarHBondContact O-CB 3.28Å; L196-V200 VanDerWaalsContact O-CG2 3.31Å; L196-V200 WeakPolarHBondContact O-CG2 3.25Å; L196-V200 PolarHBondContact O-N 2.71Å; V200-N203 CarbonylContact O-C 3.6Å; V200-N203 PolarHBondContact O-N 3.44Å; V200-M204 HydrophobicContact CG1-CE 4.34Å; V200-M204 HydrophobicContact CG1-SD 3.87Å; V200-M204 WeakPolarHBondContact O-CA 3.4Å; V200-M204 WeakPolarHBondContact O-CB 3.23Å; V200-M204 PolarHBondContact O-N 3.15Å; V200-I207 HydrophobicContact CB-CD1 4.27Å; V200-I207 HydrophobicContact CG1-CD1 4.01Å; V200-I207 HydrophobicContact CG2-CD1 4.21Å
201	K	88.8	Confident	88.9	Confident	142 Å²	142	61.1 Å²	61.1	62%	0.617	29%	0.29	S	S	*	.	H	α-helix	trans	-62.3	-45.7	178.5	-174.1	-179.3	177.6	-173.1	0	111.9	H197 D198 F199 N203	H197-K201 VanDerWaalsContact O-CB 3.27Å; H197-K201 WeakPolarHBondContact O-CB 3.37Å; H197-K201 PolarHBondContact O-N 3.28Å; D198-K201 PolarHBondContact O-N 3.42Å; F199-K201 VanDerWaalsContact C-N 3.33Å; F199-K201 PolarHBondContact O-N 3.42Å; K201-N203 VanDerWaalsContact C-N 3.34Å
202	K	91	Very high	87.5	Confident	148 Å²	148	55.9 Å²	55.9	64%	0.643	28%	0.277	S	S	*	.	H	α-helix	trans	-68.7	-32.1	-179.8	-74.8	173.9	175.1	167.5	0	113	D198 F199	D198-K202 WeakPolarHBondContact O-CB 3.41Å; D198-K202 WeakPolarHBondContact O-CG 3.36Å; D198-K202 PolarHBondContact O-N 3.04Å; D198-K202 WeakPolarHBondContact OD1-CE 3.48Å; D198-K202 IonicContact OD1-NZ 2.75Å; D198-K202 PolarHBondContact OD1-NZ 3.5Å; D198-K202 WeakPolarHBondContact OD2-CD 3.47Å; D198-K202 VanDerWaalsContact OD2-CE 3.24Å; D198-K202 WeakPolarHBondContact OD2-CE 3.24Å; D198-K202 IonicContact OD2-NZ 2.84Å; D198-K202 PolarHBondContact OD2-NZ 3.47Å; F199-K202 PolarHBondContact O-N 2.86Å
203	N	91.9	Very high	85.7	Confident	41 Å²	41	56.5 Å²	56.5	22%	0.219	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	18.9	-176	-62.9	-73.1	0	0	0	113.2	T121 F199 V200 K201 E205 Q206 I207	T121-N203 HydrophobicContact CG2-CB 3.61Å; F199-N203 WeakPolarHBondContact O-CB 2.9Å; F199-N203 PolarHBondContact O-N 2.85Å; F199-N203 PolarHBondContact O-ND2 2.86Å; V200-N203 CarbonylContact O-C 3.6Å; V200-N203 PolarHBondContact O-N 3.44Å; K201-N203 VanDerWaalsContact C-N 3.34Å; N203-E205 VanDerWaalsContact C-N 3.3Å; N203-E205 PolarHBondContact O-N 3.23Å; N203-Q206 PolarHBondContact O-N 3.25Å; N203-I207 HydrophobicContact CB-CD1 4.18Å; N203-I207 HydrophobicContact CB-CG1 4.43Å; N203-I207 WeakPolarHBondContact O-CG1 3.42Å; N203-I207 PolarHBondContact O-N 3.32Å
204	M	89.2	Confident	83.6	Confident	53 Å²	53	62.3 Å²	62.3	26%	0.261	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-41.1	-167.9	-165	67.5	-97.2	0	0	112.4	W103 V200 I207 T208	W103-M204 HydrophobicContact CH2-CE 3.29Å; W103-M204 HydrophobicContact CH2-SD 4.07Å; W103-M204 HydrophobicContact CZ2-CE 4.13Å; W103-M204 HydrophobicContact CZ3-CE 3.89Å; V200-M204 HydrophobicContact CG1-CE 4.34Å; V200-M204 HydrophobicContact CG1-SD 3.87Å; V200-M204 WeakPolarHBondContact O-CA 3.4Å; V200-M204 WeakPolarHBondContact O-CB 3.23Å; V200-M204 PolarHBondContact O-N 3.15Å; M204-I207 HydrophobicContact CE-CB 3.88Å; M204-I207 HydrophobicContact CE-CG2 3.74Å; M204-I207 PolarHBondContact O-N 3.17Å; M204-T208 HydrophobicContact CE-CG2 3.64Å; M204-T208 PolarHBondContact O-N 3.11Å; M204-T208 PolarHBondContact O-OG1 2.93Å
205	E	87.1	Confident	81.3	Confident	129 Å²	129	64.3 Å²	64.3	60%	0.603	33%	0.329	S	S	*	.	H	α-helix	trans	-61.1	-51.3	179	-169.9	175	-170.9	0	0	111.4	N203 I207 T208 I209	N203-E205 VanDerWaalsContact C-N 3.3Å; N203-E205 PolarHBondContact O-N 3.23Å; E205-I207 VanDerWaalsContact C-N 3.3Å; E205-I207 PolarHBondContact O-N 3.28Å; E205-T208 PolarHBondContact O-N 3.37Å; E205-T208 VanDerWaalsContact O-N 3.16Å; E205-T208 PolarHBondContact O-OG1 3.04Å; E205-I209 PolarHBondContact O-N 3.17Å
206	Q	88.1	Confident	79	Confident	72 Å²	72	62.4 Å²	62.4	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-33.8	177.3	-67.5	-172.1	-3.3	0	0	113	T121 N203 I209 P210	T121-Q206 HydrophobicContact CG2-CB 4.21Å; T121-Q206 PolarHBondContact OG1-OE1 2.92Å; N203-Q206 PolarHBondContact O-N 3.25Å; Q206-I209 CarbonylContact O-C 3.56Å; Q206-P210 WeakPolarHBondContact O-CA 3.2Å
207	I	88.9	Confident	76.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-68.4	-39.7	176.1	-70.2	167.6	0	0	0	110.6	I104 L107 T121 Q122 A125 V200 N203 M204 E205	I104-I207 HydrophobicContact CG1-CG2 4.24Å; L107-I207 HydrophobicContact CD1-CG2 4.11Å; L107-I207 WeakPolarHBondContact CD1-O 3.25Å; T121-I207 HydrophobicContact CG2-CG1 4.26Å; Q122-I207 PolarHBondContact NE2-O 3.49Å; A125-I207 HydrophobicContact CB-CD1 4.16Å; V200-I207 HydrophobicContact CB-CD1 4.27Å; V200-I207 HydrophobicContact CG1-CD1 4.01Å; V200-I207 HydrophobicContact CG2-CD1 4.21Å; N203-I207 HydrophobicContact CB-CD1 4.18Å; N203-I207 HydrophobicContact CB-CG1 4.43Å; N203-I207 WeakPolarHBondContact O-CG1 3.42Å; N203-I207 PolarHBondContact O-N 3.32Å; M204-I207 HydrophobicContact CE-CB 3.88Å; M204-I207 HydrophobicContact CE-CG2 3.74Å; M204-I207 PolarHBondContact O-N 3.17Å; E205-I207 VanDerWaalsContact C-N 3.3Å; E205-I207 PolarHBondContact O-N 3.28Å
208	T	87	Confident	74	Confident	48 Å²	48	69 Å²	69	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-80.7	-35.2	-179.5	47.2	0	0	0	0	113.9	W103 L107 M204 E205	W103-T208 HydrophobicContact CZ2-CG2 4.18Å; L107-T208 HydrophobicContact CD1-CG2 4.44Å; M204-T208 HydrophobicContact CE-CG2 3.64Å; M204-T208 PolarHBondContact O-N 3.11Å; M204-T208 PolarHBondContact O-OG1 2.93Å; E205-T208 PolarHBondContact O-N 3.37Å; E205-T208 VanDerWaalsContact O-N 3.16Å; E205-T208 PolarHBondContact O-OG1 3.04Å
209	I	87	Confident	71.7	Confident	64 Å²	64	70.2 Å²	70.2	33%	0.328	37%	0.368	S	S	.	.			trans	-133	79.5	-175.1	-51.6	176.2	0	0	0	106.8	E205 Q206 R211	E205-I209 PolarHBondContact O-N 3.17Å; Q206-I209 CarbonylContact O-C 3.56Å; I209-R211 WeakPolarHBondContact CG2-O 3.49Å; I209-R211 PolarHBondContact O-N 2.81Å
210	P	82.1	Confident	69.3	Low	18 Å²	18	71.9 Å²	71.9	12%	0.117	38%	0.381	C	S	.	.	S	Bend	trans	-72.3	-14.7	-172.7	26.9	-34.9	0	0	0	114.1	P109 G118 V119 Q206	P109-P210 HydrophobicContact CG-CG 3.82Å; G118-P210 WeakPolarHBondContact CA-O 3.33Å; V119-P210 HydrophobicContact CG2-CB 4.16Å; Q206-P210 WeakPolarHBondContact O-CA 3.2Å
211	R	81.5	Confident	66.7	Low	37 Å²	37	80.1 Å²	80.1	14%	0.14	41%	0.413	C	S	.	.			trans	-130	122.3	174.7	-64	-172.7	-177.1	135.8	11	108.9	K110 E112 D115 N116 I209	K110-R211 PolarHBondContact O-NH1 2.84Å; K110-R211 PolarHBondContact O-NH2 3.23Å; E112-R211 IonicContact OE1-NH1 2.9Å; E112-R211 IonicContact OE2-CZ 2.92Å; E112-R211 IonicContact OE2-NE 2.81Å; E112-R211 IonicContact OE2-NH1 3.25Å; E112-R211 PolarHBondContact OE2-NH1 3.13Å; D115-R211 PolarHBondContact O-NE 2.88Å; N116-R211 PolarHBondContact OD1-NH2 3.39Å; I209-R211 WeakPolarHBondContact CG2-O 3.49Å; I209-R211 PolarHBondContact O-N 2.81Å
212	C	62	Low	64.2	Low	56 Å²	56	78.4 Å²	78.4	38%	0.378	41%	0.41	S	S	.	.			trans	-106.5	104.3	170	-94.7	0	0	0	0	107.7
213	S	50.7	Low	62	Low	53 Å²	53	78.8 Å²	78.8	37%	0.371	41%	0.414	S	S	.	.			trans	-69	136	161.4	55.2	0	0	0	0	107.7	S215 Q216	S213-S215 PolarHBondContact O-N 2.9Å; S213-S215 PolarHBondContact OG-OG 3.4Å; S213-Q216 PolarHBondContact O-N 3.4Å; S213-Q216 WeakPolarHBondContact OG-CG 3.39Å
214	T	43.5	Very low	59.5	Low	125 Å²	125	81.9 Å²	81.9	77%	0.767	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-18	-179.7	-46.2	0	0	0	0	113.3
215	S	41.2	Very low	57	Low	83 Å²	83	84.1 Å²	84.1	58%	0.58	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-26	172.1	36.8	0	0	0	0	115	S213	S213-S215 PolarHBondContact O-N 2.9Å; S213-S215 PolarHBondContact OG-OG 3.4Å
216	Q	44.1	Very low	54.6	Low	91 Å²	91	83.8 Å²	83.8	43%	0.425	46%	0.455	S	S	.	.	H	α-helix	trans	-85.9	-17.9	179.8	-72.9	178.7	-7.6	0	0	114.1	S213 N218 D219 V220	S213-Q216 PolarHBondContact O-N 3.4Å; S213-Q216 WeakPolarHBondContact OG-CG 3.39Å; Q216-N218 PolarHBondContact O-N 3Å; Q216-D219 PolarHBondContact O-N 2.94Å; Q216-V220 WeakPolarHBondContact O-CG2 3.23Å; Q216-V220 PolarHBondContact O-N 3.45Å
217	L	39.8	Very low	52.6	Low	82 Å²	82	83.7 Å²	83.7	43%	0.429	46%	0.459	S	S	.	.	H	α-helix	trans	-59.2	-33.5	173.2	-93.3	161.2	0	0	0	112.2	Y221	L217-Y221 WeakPolarHBondContact O-CD2 3.12Å; L217-Y221 PolarHBondContact O-N 3.27Å
218	N	35.9	Very low	50.6	Low	109 Å²	109	88.7 Å²	88.7	58%	0.583	49%	0.486	S	S	*	.	H	α-helix	trans	-78.8	-31.7	176.9	-74.7	-21.7	0	0	0	113	Q216 Y221 N222	Q216-N218 PolarHBondContact O-N 3Å; N218-Y221 PolarHBondContact O-N 3.2Å; N218-N222 VanDerWaalsContact O-CB 3.29Å; N218-N222 WeakPolarHBondContact O-CB 3.43Å; N218-N222 PolarHBondContact O-N 3.08Å; N218-N222 PolarHBondContact O-ND2 3.15Å; N218-N222 VanDerWaalsContact O-ND2 3.12Å
219	D	41.7	Very low	48.8	Very low	90 Å²	90	89.6 Å²	89.6	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-75.6	-33.9	177.2	-74.4	-22.5	0	0	0	112	Q216 Y221 N222 H223	Q216-D219 PolarHBondContact O-N 2.94Å; D219-Y221 VanDerWaalsContact C-N 3.35Å; D219-N222 PolarHBondContact O-N 3.32Å; D219-H223 WeakPolarHBondContact O-CB 3.45Å; D219-H223 PolarHBondContact O-CD2 2.83Å; D219-H223 PolarHBondContact O-N 3.32Å
220	V	42.7	Very low	46.9	Very low	68 Å²	68	92.3 Å²	92.3	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-36.9	171.9	177.1	0	0	0	0	111.1	Q216 L224	Q216-V220 WeakPolarHBondContact O-CG2 3.23Å; Q216-V220 PolarHBondContact O-N 3.45Å; V220-L224 WeakPolarHBondContact O-CG 3.42Å; V220-L224 PolarHBondContact O-N 3.05Å
221	Y	36	Very low	45.6	Very low	174 Å²	174	95.3 Å²	95.3	68%	0.682	53%	0.533	S	S	*	.	H	α-helix	trans	-71.3	-32.9	172.8	-99.3	-92.5	0	0	0	113.2	L217 N218 D219 L224	L217-Y221 WeakPolarHBondContact O-CD2 3.12Å; L217-Y221 PolarHBondContact O-N 3.27Å; N218-Y221 PolarHBondContact O-N 3.2Å; D219-Y221 VanDerWaalsContact C-N 3.35Å; Y221-L224 PolarHBondContact O-N 3.17Å
222	N	38	Very low	43.9	Very low	106 Å²	106	95.8 Å²	95.8	57%	0.567	54%	0.538	S	S	*	.	H	α-helix	trans	-80.4	-20.1	177.5	-74.2	-30	0	0	0	113.7	N218 D219 L224 V225	N218-N222 VanDerWaalsContact O-CB 3.29Å; N218-N222 WeakPolarHBondContact O-CB 3.43Å; N218-N222 PolarHBondContact O-N 3.08Å; N218-N222 PolarHBondContact O-ND2 3.15Å; N218-N222 VanDerWaalsContact O-ND2 3.12Å; D219-N222 PolarHBondContact O-N 3.32Å; N222-L224 VanDerWaalsContact C-N 3.31Å; N222-V225 WeakPolarHBondContact O-CG2 3.45Å
223	H	43.9	Very low	43.2	Very low	156 Å²	156	100.7 Å²	100.7	72%	0.722	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	0.2	168.9	-69.5	-51.1	0	0	0	113.7	D219	D219-H223 WeakPolarHBondContact O-CB 3.45Å; D219-H223 PolarHBondContact O-CD2 2.83Å; D219-H223 PolarHBondContact O-N 3.32Å
224	L	39.1	Very low	42.9	Very low	106 Å²	106	103.2 Å²	103.2	56%	0.555	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	30.8	163.7	-67.7	168.2	0	0	0	111.8	V220 Y221 N222	V220-L224 WeakPolarHBondContact O-CG 3.42Å; V220-L224 PolarHBondContact O-N 3.05Å; Y221-L224 PolarHBondContact O-N 3.17Å; N222-L224 VanDerWaalsContact C-N 3.31Å
225	V	37.4	Very low	42.8	Very low	100 Å²	100	99.8 Å²	99.8	61%	0.606	56%	0.56	S	S	*	*	S	Bend	trans	-45.1	132.7	155.8	-175.4	0	0	0	0	106.9	N222 V227	N222-V225 WeakPolarHBondContact O-CG2 3.45Å; V225-V227 PolarHBondContact O-N 3.25Å
226	P	35.9	Very low	42.9	Very low	121 Å²	121	97.6 Å²	97.6	79%	0.786	55%	0.547	S	S	*	.			trans	-55.4	105.8	-177.4	21.7	-32.2	0	0	0	108.5	D228	P226-D228 PolarHBondContact O-N 3.28Å
227	V	45.6	Very low	42.9	Very low	70 Å²	70	97.2 Å²	97.2	42%	0.424	54%	0.542	S	S	.	.			trans	-65	119	167.1	179.3	0	0	0	0	104	V225 V229 L232	V225-V227 PolarHBondContact O-N 3.25Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 WeakPolarHBondContact O-CG2 3.49Å; V227-V229 PolarHBondContact O-N 2.84Å; V227-L232 HydrophobicContact CB-CD1 4.48Å; V227-L232 HydrophobicContact CG1-CD1 3.56Å; V227-L232 HydrophobicContact CG1-CD2 4.39Å; V227-L232 HydrophobicContact CG1-CG 3.9Å
228	D	47.9	Very low	43.1	Very low	105 Å²	105	98.8 Å²	98.8	56%	0.561	55%	0.55	S	S	*	.			trans	-53.9	104	171.3	-171.2	-7.7	0	0	0	107.4	P226 D230 A231	P226-D228 PolarHBondContact O-N 3.28Å; D228-D230 PolarHBondContact O-N 3.4Å; D228-D230 WeakPolarHBondContact OD1-CB 3.45Å; D228-D230 PolarHBondContact OD1-N 2.64Å; D228-A231 HydrophobicContact CB-CB 4.22Å; D228-A231 WeakPolarHBondContact O-CB 3.44Å; D228-A231 PolarHBondContact O-N 3.44Å
229	V	48.1	Very low	43.6	Very low	68 Å²	68	98.7 Å²	98.7	41%	0.412	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.8	-174.5	-171.3	0	0	0	0	109.3	V227 R237	V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 WeakPolarHBondContact O-CG2 3.49Å; V227-V229 PolarHBondContact O-N 2.84Å; V229-R237 HydrophobicContact CG1-CG 4.24Å; V229-R237 WeakPolarHBondContact O-CD 3.47Å; V229-R237 WeakPolarHBondContact O-CG 2.96Å; V229-R237 PolarHBondContact O-NE 3.41Å
230	D	48.4	Very low	43.9	Very low	120 Å²	120	96.9 Å²	96.9	64%	0.642	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-80.3	-11.1	175.2	-69.9	-41.1	0	0	0	114.9	D228 R237	D228-D230 PolarHBondContact O-N 3.4Å; D228-D230 WeakPolarHBondContact OD1-CB 3.45Å; D228-D230 PolarHBondContact OD1-N 2.64Å; D230-R237 VanDerWaalsContact CA-NH2 3.31Å; D230-R237 PolarHBondContact O-NH2 2.86Å; D230-R237 IonicContact OD1-CZ 2.86Å; D230-R237 IonicContact OD1-NH1 3.75Å; D230-R237 PolarHBondContact OD1-NH1 2.94Å; D230-R237 IonicContact OD1-NH2 2.82Å
231	A	53.6	Low	43.9	Very low	81 Å²	81	99.8 Å²	99.8	67%	0.669	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-91.7	-9.3	174.3	0	0	0	0	0	113.8	D228	D228-A231 HydrophobicContact CB-CB 4.22Å; D228-A231 WeakPolarHBondContact O-CB 3.44Å; D228-A231 PolarHBondContact O-N 3.44Å
232	L	45.6	Very low	44.3	Very low	48 Å²	48	96.9 Å²	96.9	25%	0.251	54%	0.543	S	S	.	.	S	Bend	trans	-87.7	139.8	-176.9	-78.1	162.2	0	0	0	112.7	V227 A236 R237	V227-L232 HydrophobicContact CB-CD1 4.48Å; V227-L232 HydrophobicContact CG1-CD1 3.56Å; V227-L232 HydrophobicContact CG1-CD2 4.39Å; V227-L232 HydrophobicContact CG1-CG 3.9Å; L232-A236 HydrophobicContact CB-CB 4.19Å; L232-A236 HydrophobicContact CD2-CB 3.75Å; L232-A236 HydrophobicContact CG-CB 4.44Å; L232-R237 HydrophobicContact CB-CG 3.82Å; L232-R237 PolarHBondContact O-NE 3.14Å
233	E	47.3	Very low	44.4	Very low	158 Å²	158	99.4 Å²	99.4	74%	0.738	55%	0.549	S	S	*	.			trans	-53.2	146.7	168.4	-80.2	-114.4	157.1	0	0	110.8	G235 A236 R237	E233-G235 PolarHBondContact O-N 3.12Å; E233-A236 PolarHBondContact O-N 2.92Å; E233-R237 PolarHBondContact O-N 3.42Å
234	P	46.3	Very low	44.2	Very low	107 Å²	107	101 Å²	101	70%	0.695	55%	0.55	S	S	*	*	H	α-helix	trans	-52.4	-34.8	-171.4	-26.3	32.6	0	0	0	114.4	L238	P234-L238 PolarHBondContact O-N 3.45Å
235	G	40.4	Very low	44	Very low	52 Å²	52	101.4 Å²	101.4	54%	0.536	55%	0.552	S	S	.	*	H	α-helix	trans	-69.8	-32	177.4	0	0	0	0	0	114.1	E233	E233-G235 PolarHBondContact O-N 3.12Å
236	A	44.2	Very low	43.6	Very low	37 Å²	37	101.5 Å²	101.5	31%	0.306	55%	0.554	S	S	.	*	H	α-helix	trans	-80.5	-29.8	179.5	0	0	0	0	0	112.2	L232 E233 L238 I239 Q240	L232-A236 HydrophobicContact CB-CB 4.19Å; L232-A236 HydrophobicContact CD2-CB 3.75Å; L232-A236 HydrophobicContact CG-CB 4.44Å; E233-A236 PolarHBondContact O-N 2.92Å; A236-L238 VanDerWaalsContact C-N 3.32Å; A236-L238 PolarHBondContact O-N 3.22Å; A236-I239 PolarHBondContact O-N 3.4Å; A236-Q240 PolarHBondContact O-N 3.01Å
237	R	43.7	Very low	43.5	Very low	83 Å²	83	103.4 Å²	103.4	31%	0.313	56%	0.557	S	S	.	*	H	α-helix	trans	-60.5	-41.1	170.6	-64.6	-172.5	-164.9	-151.3	0.8	112.1	V229 D230 L232 E233 I239 Q240 M241	V229-R237 HydrophobicContact CG1-CG 4.24Å; V229-R237 WeakPolarHBondContact O-CD 3.47Å; V229-R237 WeakPolarHBondContact O-CG 2.96Å; V229-R237 PolarHBondContact O-NE 3.41Å; D230-R237 VanDerWaalsContact CA-NH2 3.31Å; D230-R237 PolarHBondContact O-NH2 2.86Å; D230-R237 IonicContact OD1-CZ 2.86Å; D230-R237 IonicContact OD1-NH1 3.75Å; D230-R237 PolarHBondContact OD1-NH1 2.94Å; D230-R237 IonicContact OD1-NH2 2.82Å; L232-R237 HydrophobicContact CB-CG 3.82Å; L232-R237 PolarHBondContact O-NE 3.14Å; E233-R237 PolarHBondContact O-N 3.42Å; R237-I239 VanDerWaalsContact C-N 3.32Å; R237-I239 PolarHBondContact O-N 3.24Å; R237-Q240 PolarHBondContact O-N 2.86Å; R237-M241 WeakPolarHBondContact O-CG 3.15Å; R237-M241 PolarHBondContact O-N 2.78Å
238	L	43	Very low	42.7	Very low	115 Å²	115	108.7 Å²	108.7	60%	0.602	58%	0.579	S	S	*	*	H	α-helix	trans	-62.4	-39.6	179.7	-156.2	85.7	0	0	0	111.9	P234 A236 Q240 M241 L242	P234-L238 PolarHBondContact O-N 3.45Å; A236-L238 VanDerWaalsContact C-N 3.32Å; A236-L238 PolarHBondContact O-N 3.22Å; L238-Q240 VanDerWaalsContact C-N 3.35Å; L238-M241 PolarHBondContact O-N 3.02Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.24Å; L238-L242 VanDerWaalsContact O-N 3.11Å
239	I	47.4	Very low	41.9	Very low	107 Å²	107	115 Å²	115	55%	0.549	61%	0.613	S	S	.	*	H	α-helix	trans	-67.9	-37	178.3	-64.2	172.3	0	0	0	111	A236 R237	A236-I239 PolarHBondContact O-N 3.4Å; R237-I239 VanDerWaalsContact C-N 3.32Å; R237-I239 PolarHBondContact O-N 3.24Å
240	Q	48.3	Very low	41.6	Very low	52 Å²	52	117.4 Å²	117.4	24%	0.243	62%	0.623	C	S	.	*	H	α-helix	trans	-71.4	-38.2	177	-134.1	171.4	13.5	0	0	111.9	A236 R237 L238 L242 K243 Y244	A236-Q240 PolarHBondContact O-N 3.01Å; R237-Q240 PolarHBondContact O-N 2.86Å; L238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-L242 VanDerWaalsContact C-N 3.34Å; Q240-L242 PolarHBondContact O-N 3.08Å; Q240-K243 PolarHBondContact O-N 3.15Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.36Å
241	M	42.6	Very low	41.3	Very low	130 Å²	130	117.3 Å²	117.3	64%	0.64	62%	0.622	S	S	*	*	H	α-helix	trans	-64.6	-35.5	175	-74.1	-177	128.3	0	0	113	R237 L238 K243 Y244	R237-M241 WeakPolarHBondContact O-CG 3.15Å; R237-M241 PolarHBondContact O-N 2.78Å; L238-M241 PolarHBondContact O-N 3.02Å; M241-K243 PolarHBondContact O-N 3.31Å; M241-Y244 PolarHBondContact O-N 3.48Å
242	L	43.2	Very low	40.6	Very low	112 Å²	112	119.3 Å²	119.3	59%	0.586	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-16.7	178.5	-72.7	169.4	0	0	0	113.8	L238 Q240 Y244 I245	L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.24Å; L238-L242 VanDerWaalsContact O-N 3.11Å; Q240-L242 VanDerWaalsContact C-N 3.34Å; Q240-L242 PolarHBondContact O-N 3.08Å; L242-Y244 VanDerWaalsContact C-N 3.34Å; L242-I245 HydrophobicContact CD2-CD1 3.97Å
243	K	41.5	Very low	40.3	Very low	160 Å²	160	123.5 Å²	123.5	70%	0.696	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-18.4	173.9	-71.5	-174.5	175	-173.1	0	113.8	Q240 M241	Q240-K243 PolarHBondContact O-N 3.15Å; M241-K243 PolarHBondContact O-N 3.31Å
244	Y	38.9	Very low	39.9	Very low	189 Å²	189	121.3 Å²	121.3	74%	0.741	64%	0.635	S	S	*	*	S	Bend	trans	-110.5	5.5	-173.1	-71	-79	0	0	0	114.4	Q240 M241 L242 P246	Q240-Y244 WeakPolarHBondContact O-CD2 3.36Å; M241-Y244 PolarHBondContact O-N 3.48Å; L242-Y244 VanDerWaalsContact C-N 3.34Å; Y244-P246 VanDerWaalsContact O-CD 3.27Å; Y244-P246 WeakPolarHBondContact O-CD 3.47Å
245	I	34.6	Very low	39.4	Very low	114 Å²	114	122.3 Å²	122.3	59%	0.585	63%	0.631	S	S	*	*	S	Bend	trans	-75.8	113.9	171.9	-58.9	179.2	0	0	0	106.8	L242 L247	L242-I245 HydrophobicContact CD2-CD1 3.97Å; I245-L247 PolarHBondContact O-N 2.92Å
246	P	29.2	Very low	39.4	Very low	102 Å²	102	127.3 Å²	127.3	66%	0.662	64%	0.638	S	S	*	*			trans	-60.6	127.1	173.9	10.7	-3.5	0	0	0	107.1	Y244 M248	Y244-P246 VanDerWaalsContact O-CD 3.27Å; Y244-P246 WeakPolarHBondContact O-CD 3.47Å; P246-M248 VanDerWaalsContact C-N 3.33Å; P246-M248 PolarHBondContact O-N 3.02Å
247	L	33.9	Very low	39	Very low	161 Å²	161	134.2 Å²	134.2	84%	0.843	66%	0.664	S	S	*	*			trans	-56.2	104.3	166.1	-71.6	162.8	0	0	0	105.7	I245 D249	I245-L247 PolarHBondContact O-N 2.92Å; L247-D249 PolarHBondContact O-N 2.73Å
248	M	28	Very low	38.6	Very low	181 Å²	181	138.5 Å²	138.5	89%	0.892	69%	0.693	S	S	*	*			trans	-67.8	126.4	167.4	-71.7	-134.6	-77	0	0	106.9	P246	P246-M248 VanDerWaalsContact C-N 3.33Å; P246-M248 PolarHBondContact O-N 3.02Å
249	D	32.8	Very low	38.2	Very low	239 Å²	239	140.6 Å²	140.6	100%	1.278	70%	0.701	S	S	*	*			trans	-45.1	0	177.3	-63	-50.6	0	0	0	113.7	L247	L247-D249 PolarHBondContact O-N 2.73Å

Retrieved 249 of 249 residues in 524.6 ms (Link to these results)

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