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Mitochondrial import inner membrane translocase subunit TIM22

Essential core component of the TIM22 complex, a complex that mediates the import and insertion of multi-pass transmembrane proteins into the mitochondrial inner membrane. In the TIM22 complex, it constitutes the voltage-activated and signal-gated channel. Forms a twin-pore translocase that uses the membrane potential as external driving force in 2 voltage-dependent steps.

AlphaFold DB , UniProt , Accession G4VI93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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	55.2	Low	70.7	Confident	190 Å²	190	124.9 Å²	124.9	94%	0.936	63%	0.631	S	S	*	*				0	-45.6	0	-159.2	162.2	68.6	0	0	111.8	I5	M1-I5 HydrophobicContact CG-CD1 4.34Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å
2	S	67.7	Low	71.2	Confident	101 Å²	101	118.8 Å²	118.8	71%	0.706	61%	0.609	S	S	*	*	H	α-helix	trans	-65.8	-36.1	178.4	-45.8	0	0	0	0	114.8	Q6	S2-Q6 PolarHBondContact O-N 3.32Å
3	E	74.3	Confident	71.1	Confident	166 Å²	166	115.5 Å²	115.5	78%	0.776	59%	0.592	S	S	*	*	H	α-helix	trans	-69.8	-37.7	-179.8	-72.3	-178.8	150	0	0	113.9	I5 Q6 K7	E3-I5 VanDerWaalsContact C-N 3.34Å; E3-Q6 PolarHBondContact O-N 3.48Å; E3-K7 PolarHBondContact O-N 2.85Å
4	E	74.9	Confident	71.3	Confident	153 Å²	153	120.3 Å²	120.3	72%	0.715	60%	0.599	S	S	*	*	H	α-helix	trans	-66.4	-37.3	177.9	-110.9	-178.2	137	0	0	112.1	K7 T8	E4-K7 PolarHBondContact O-N 3.15Å; E4-T8 WeakPolarHBondContact O-CB 3.37Å; E4-T8 PolarHBondContact O-N 3.42Å; E4-T8 VanDerWaalsContact O-N 3.09Å; E4-T8 PolarHBondContact O-OG1 3.11Å
5	I	69.8	Low	71.7	Confident	105 Å²	105	120.8 Å²	120.8	54%	0.538	60%	0.599	S	S	.	*	H	α-helix	trans	-65.4	-44.4	176.6	-65.1	169.7	0	0	0	109.7	M1 E3 K7 T8 E9	M1-I5 HydrophobicContact CG-CD1 4.34Å; M1-I5 WeakPolarHBondContact O-CG1 3.4Å; E3-I5 VanDerWaalsContact C-N 3.34Å; I5-K7 PolarHBondContact O-N 3.48Å; I5-T8 PolarHBondContact O-N 2.92Å; I5-E9 PolarHBondContact O-N 3.36Å
6	Q	68.6	Low	71.6	Confident	120 Å²	120	121 Å²	121	56%	0.561	60%	0.602	S	S	*	*	H	α-helix	trans	-63.8	-41.8	178.6	-167.7	174.2	-3.8	0	0	112.3	S2 E3 T8 E9 E10	S2-Q6 PolarHBondContact O-N 3.32Å; E3-Q6 PolarHBondContact O-N 3.48Å; Q6-T8 VanDerWaalsContact C-N 3.32Å; Q6-T8 PolarHBondContact O-N 3.19Å; Q6-E9 PolarHBondContact O-N 2.72Å; Q6-E10 PolarHBondContact O-N 3.48Å
7	K	76.1	Confident	71.4	Confident	150 Å²	150	117.2 Å²	117.2	65%	0.652	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-34.6	178	-163.1	176.8	-176.2	-178.9	0	112.6	E3 E4 I5 T11	E3-K7 PolarHBondContact O-N 2.85Å; E4-K7 PolarHBondContact O-N 3.15Å; I5-K7 PolarHBondContact O-N 3.48Å; K7-T11 PolarHBondContact O-N 3.06Å; K7-T11 VanDerWaalsContact O-N 3.14Å; K7-T11 PolarHBondContact O-OG1 3.4Å
8	T	75.6	Confident	71.6	Confident	96 Å²	96	116.2 Å²	116.2	59%	0.589	58%	0.575	S	S	*	*	H	α-helix	trans	-68.1	-40.1	175.7	-53.9	0	0	0	0	111	E4 I5 Q6 T11 S12	E4-T8 WeakPolarHBondContact O-CB 3.37Å; E4-T8 PolarHBondContact O-N 3.42Å; E4-T8 VanDerWaalsContact O-N 3.09Å; E4-T8 PolarHBondContact O-OG1 3.11Å; I5-T8 PolarHBondContact O-N 2.92Å; Q6-T8 VanDerWaalsContact C-N 3.32Å; Q6-T8 PolarHBondContact O-N 3.19Å; T8-T11 PolarHBondContact O-N 2.9Å; T8-S12 PolarHBondContact O-N 2.77Å; T8-S12 VanDerWaalsContact O-N 3.1Å
9	E	71.9	Confident	71.6	Confident	118 Å²	118	116 Å²	116	55%	0.551	57%	0.573	S	S	*	*	H	α-helix	trans	-68.3	-40.2	176.6	-161.7	175.4	175.3	0	0	112.3	I5 Q6 T11 S12 I13	I5-E9 PolarHBondContact O-N 3.36Å; Q6-E9 PolarHBondContact O-N 2.72Å; E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.39Å; E9-S12 PolarHBondContact O-N 3.29Å; E9-S12 PolarHBondContact O-OG 3.38Å; E9-I13 HydrophobicContact CG-CD1 4.28Å; E9-I13 VanDerWaalsContact O-CG1 3.27Å; E9-I13 WeakPolarHBondContact O-CG1 3.31Å; E9-I13 PolarHBondContact O-N 3.45Å
10	E	70.1	Confident	71.1	Confident	104 Å²	104	119.4 Å²	119.4	49%	0.486	58%	0.579	S	S	.	*	H	α-helix	trans	-61.8	-38.7	173.2	-76.7	-171.7	163.4	0	0	112.6	Q6 R14	Q6-E10 PolarHBondContact O-N 3.48Å; E10-R14 WeakPolarHBondContact O-CG 3.35Å; E10-R14 PolarHBondContact O-N 3.34Å; E10-R14 VanDerWaalsContact O-N 3.07Å
11	T	73.9	Confident	70.7	Confident	71 Å²	71	117.8 Å²	117.8	44%	0.436	57%	0.568	S	S	.	*	H	α-helix	trans	-68.8	-42.3	-179.3	-51.1	0	0	0	0	110.9	K7 T8 E9 R14 E15	K7-T11 PolarHBondContact O-N 3.06Å; K7-T11 VanDerWaalsContact O-N 3.14Å; K7-T11 PolarHBondContact O-OG1 3.4Å; T8-T11 PolarHBondContact O-N 2.9Å; E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.39Å; T11-R14 PolarHBondContact O-N 3.41Å; T11-E15 PolarHBondContact O-N 2.95Å
12	S	76.3	Confident	71.5	Confident	51 Å²	51	112.3 Å²	112.3	36%	0.357	54%	0.539	S	S	.	.	H	α-helix	trans	-67.1	-37.8	177.6	68	0	0	0	0	112.7	T8 E9 E15 L16	T8-S12 PolarHBondContact O-N 2.77Å; T8-S12 VanDerWaalsContact O-N 3.1Å; E9-S12 PolarHBondContact O-N 3.29Å; E9-S12 PolarHBondContact O-OG 3.38Å; S12-E15 PolarHBondContact O-N 3.11Å; S12-L16 VanDerWaalsContact O-CG 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.41Å; S12-L16 PolarHBondContact O-N 3.32Å
13	I	69.5	Low	71.1	Confident	76 Å²	76	112 Å²	112	39%	0.39	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-42	174.2	-69.1	168.9	0	0	0	110.7	E9 E15 L16 L17	E9-I13 HydrophobicContact CG-CD1 4.28Å; E9-I13 VanDerWaalsContact O-CG1 3.27Å; E9-I13 WeakPolarHBondContact O-CG1 3.31Å; E9-I13 PolarHBondContact O-N 3.45Å; I13-E15 VanDerWaalsContact C-N 3.35Å; I13-E15 PolarHBondContact O-N 3.01Å; I13-L16 PolarHBondContact O-N 3.48Å; I13-L17 HydrophobicContact CG2-CD1 3.78Å; I13-L17 HydrophobicContact CG2-CG 4.28Å; I13-L17 WeakPolarHBondContact O-CB 3.49Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.4Å; I13-L17 PolarHBondContact O-N 2.85Å
14	R	73.7	Confident	70.6	Confident	183 Å²	183	111 Å²	111	69%	0.691	52%	0.519	S	S	*	.	H	α-helix	trans	-62.1	-41.2	176.2	-76.4	178.4	-178.8	-141	2	112.2	E10 T11 L17 F18	E10-R14 WeakPolarHBondContact O-CG 3.35Å; E10-R14 PolarHBondContact O-N 3.34Å; E10-R14 VanDerWaalsContact O-N 3.07Å; T11-R14 PolarHBondContact O-N 3.41Å; R14-L17 PolarHBondContact O-N 2.86Å; R14-F18 WeakPolarHBondContact O-CB 3.25Å; R14-F18 PolarHBondContact O-N 2.95Å
15	E	78.2	Confident	70.1	Confident	128 Å²	128	108.9 Å²	108.9	60%	0.598	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-42.5	175.9	-73.3	177.4	173.6	0	0	111.9	T11 S12 I13 F18 E19	T11-E15 PolarHBondContact O-N 2.95Å; S12-E15 PolarHBondContact O-N 3.11Å; I13-E15 VanDerWaalsContact C-N 3.35Å; I13-E15 PolarHBondContact O-N 3.01Å; E15-F18 PolarHBondContact O-N 3.4Å; E15-E19 WeakPolarHBondContact O-CB 3.23Å; E15-E19 PolarHBondContact O-N 2.79Å
16	L	70.2	Confident	70	Confident	124 Å²	124	108.7 Å²	108.7	65%	0.649	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-39.8	176.7	-72.9	171.3	0	0	0	112.6	S12 I13 R20	S12-L16 VanDerWaalsContact O-CG 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.41Å; S12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 3.48Å; L16-R20 VanDerWaalsContact O-CB 3.28Å; L16-R20 WeakPolarHBondContact O-CB 3.37Å; L16-R20 PolarHBondContact O-N 3.49Å
17	L	67.8	Low	70	Confident	57 Å²	57	105.7 Å²	105.7	30%	0.298	50%	0.5	S	S	.	.	H	α-helix	trans	-67.7	-45.3	173.4	-69.8	169.4	0	0	0	110.3	I13 R14 E19 R20 Y21	I13-L17 HydrophobicContact CG2-CD1 3.78Å; I13-L17 HydrophobicContact CG2-CG 4.28Å; I13-L17 WeakPolarHBondContact O-CB 3.49Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.4Å; I13-L17 PolarHBondContact O-N 2.85Å; R14-L17 PolarHBondContact O-N 2.86Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-E19 PolarHBondContact O-N 3.38Å; L17-R20 PolarHBondContact O-N 2.92Å; L17-Y21 HydrophobicContact CB-CD2 4.28Å; L17-Y21 HydrophobicContact CD2-CD2 4.24Å; L17-Y21 HydrophobicContact CD2-CE2 3.71Å; L17-Y21 WeakPolarHBondContact O-CB 3.46Å; L17-Y21 WeakPolarHBondContact O-CD2 3.33Å; L17-Y21 PolarHBondContact O-N 3.04Å
18	F	74.4	Confident	69.9	Low	98 Å²	98	101.6 Å²	101.6	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-58.5	-46	177.4	-179	-96.6	0	0	0	111.1	R14 E15 Y21 K22 L25	R14-F18 WeakPolarHBondContact O-CB 3.25Å; R14-F18 PolarHBondContact O-N 2.95Å; E15-F18 PolarHBondContact O-N 3.4Å; F18-Y21 CarbonylContact O-C 3.51Å; F18-Y21 PolarHBondContact O-N 3.43Å; F18-K22 HydrophobicContact CE1-CG 4.46Å; F18-K22 WeakPolarHBondContact O-CA 3.29Å; F18-K22 WeakPolarHBondContact O-CB 3.35Å; F18-K22 PolarHBondContact O-N 3.2Å; F18-L25 HydrophobicContact CD2-CD1 3.92Å; F18-L25 HydrophobicContact CE2-CD1 4.36Å
19	E	71.9	Confident	70.1	Confident	113 Å²	113	102.9 Å²	102.9	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-40.7	175.9	-83.7	-67	133.2	0	0	112.2	E15 L17 Y21 K22	E15-E19 WeakPolarHBondContact O-CB 3.23Å; E15-E19 PolarHBondContact O-N 2.79Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-E19 PolarHBondContact O-N 3.38Å; E19-Y21 PolarHBondContact O-N 3.29Å; E19-K22 WeakPolarHBondContact O-CB 3.35Å; E19-K22 IonicContact OE1-NZ 3.5Å; E19-K22 PolarHBondContact OE1-NZ 2.98Å
20	R	62.8	Low	70.4	Confident	184 Å²	184	100.3 Å²	100.3	69%	0.694	49%	0.492	S	S	*	.	H	α-helix	trans	-66.4	-36.9	177.2	-174.4	-174.5	-72.9	-171.8	-1.9	112.9	L16 L17	L16-R20 VanDerWaalsContact O-CB 3.28Å; L16-R20 WeakPolarHBondContact O-CB 3.37Å; L16-R20 PolarHBondContact O-N 3.49Å; L17-R20 PolarHBondContact O-N 2.92Å
21	Y	62.5	Low	70.6	Confident	86 Å²	86	96 Å²	96	34%	0.337	47%	0.472	S	S	.	.	H	α-helix	trans	-100.9	2.9	-177.7	-66.9	-74.3	0	0	0	113	L17 F18 E19 D23 Y24 L25	L17-Y21 HydrophobicContact CB-CD2 4.28Å; L17-Y21 HydrophobicContact CD2-CD2 4.24Å; L17-Y21 HydrophobicContact CD2-CE2 3.71Å; L17-Y21 WeakPolarHBondContact O-CB 3.46Å; L17-Y21 WeakPolarHBondContact O-CD2 3.33Å; L17-Y21 PolarHBondContact O-N 3.04Å; F18-Y21 CarbonylContact O-C 3.51Å; F18-Y21 PolarHBondContact O-N 3.43Å; E19-Y21 PolarHBondContact O-N 3.29Å; Y21-D23 PolarHBondContact O-N 3.16Å; Y21-D23 VanDerWaalsContact O-N 3.09Å; Y21-Y24 HydrophobicContact CD1-CD2 4.12Å; Y21-Y24 CarbonylContact O-C 3.52Å; Y21-Y24 WeakPolarHBondContact O-CA 3.33Å; Y21-Y24 PolarHBondContact O-N 3.39Å; Y21-L25 WeakPolarHBondContact O-CB 3.46Å; Y21-L25 PolarHBondContact O-N 3.46Å
22	K	70.5	Confident	70.5	Confident	75 Å²	75	100.7 Å²	100.7	33%	0.326	48%	0.482	S	S	.	.	H	α-helix	trans	-51.4	-40.5	-176.3	-173.8	174	-176.2	169.1	0	111.6	F18 E19 L25 N26	F18-K22 HydrophobicContact CE1-CG 4.46Å; F18-K22 WeakPolarHBondContact O-CA 3.29Å; F18-K22 WeakPolarHBondContact O-CB 3.35Å; F18-K22 PolarHBondContact O-N 3.2Å; E19-K22 WeakPolarHBondContact O-CB 3.35Å; E19-K22 IonicContact OE1-NZ 3.5Å; E19-K22 PolarHBondContact OE1-NZ 2.98Å; K22-L25 PolarHBondContact O-N 3.01Å; K22-N26 VanDerWaalsContact CG-ND2 3.3Å; K22-N26 WeakPolarHBondContact CG-ND2 3.43Å; K22-N26 WeakPolarHBondContact O-CB 3.38Å; K22-N26 PolarHBondContact O-N 3.42Å; K22-N26 PolarHBondContact O-ND2 3.2Å
23	D	61.2	Low	70.7	Confident	95 Å²	95	103.2 Å²	103.2	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-45.6	177.9	-69.8	-20.6	0	0	0	111	Y21 R71	Y21-D23 PolarHBondContact O-N 3.16Å; Y21-D23 VanDerWaalsContact O-N 3.09Å; D23-R71 PolarHBondContact O-NH1 3.49Å
24	Y	63	Low	71	Confident	143 Å²	143	103.8 Å²	103.8	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-70.4	-34.9	176.9	-67.1	-81.3	0	0	0	113.6	Y21	Y21-Y24 HydrophobicContact CD1-CD2 4.12Å; Y21-Y24 CarbonylContact O-C 3.52Å; Y21-Y24 WeakPolarHBondContact O-CA 3.33Å; Y21-Y24 PolarHBondContact O-N 3.39Å
25	L	64.1	Low	71	Confident	109 Å²	109	97.8 Å²	97.8	57%	0.571	47%	0.466	S	S	*	.	H	α-helix	trans	-76.4	-35.8	180	-73.9	166.6	0	0	0	112	F18 Y21 K22 L27	F18-L25 HydrophobicContact CD2-CD1 3.92Å; F18-L25 HydrophobicContact CE2-CD1 4.36Å; Y21-L25 WeakPolarHBondContact O-CB 3.46Å; Y21-L25 PolarHBondContact O-N 3.46Å; K22-L25 PolarHBondContact O-N 3.01Å; L25-L27 PolarHBondContact O-N 3.09Å
26	N	66.9	Low	71.1	Confident	101 Å²	101	95 Å²	95	54%	0.54	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	33.3	175	-65.6	-33.7	0	0	0	112.2	K22 S28	K22-N26 VanDerWaalsContact CG-ND2 3.3Å; K22-N26 WeakPolarHBondContact CG-ND2 3.43Å; K22-N26 WeakPolarHBondContact O-CB 3.38Å; K22-N26 PolarHBondContact O-N 3.42Å; K22-N26 PolarHBondContact O-ND2 3.2Å; N26-S28 PolarHBondContact O-N 3.02Å; N26-S28 VanDerWaalsContact O-N 3.13Å
27	L	69.2	Low	71.7	Confident	58 Å²	58	92.8 Å²	92.8	30%	0.304	45%	0.446	S	S	.	.			trans	-66.9	113.5	172.5	-155.2	68.2	0	0	0	108.6	L25 D31 Y35	L25-L27 PolarHBondContact O-N 3.09Å; L27-D31 HydrophobicContact CD1-CB 3.96Å; L27-D31 HydrophobicContact CG-CB 3.95Å; L27-Y35 HydrophobicContact CD1-CE2 4.05Å; L27-Y35 HydrophobicContact CD2-CD2 4.17Å; L27-Y35 HydrophobicContact CD2-CE2 4.3Å
28	S	74.7	Confident	72.4	Confident	64 Å²	64	90.7 Å²	90.7	45%	0.448	43%	0.434	S	S	.	.			trans	-57.8	144.3	176.1	179.5	0	0	0	0	110.2	N26 A30 D31 R32	N26-S28 PolarHBondContact O-N 3.02Å; N26-S28 VanDerWaalsContact O-N 3.13Å; S28-A30 PolarHBondContact O-N 3.37Å; S28-A30 VanDerWaalsContact O-N 3.09Å; S28-A30 PolarHBondContact OG-N 3.29Å; S28-D31 WeakPolarHBondContact O-CA 3.3Å; S28-D31 WeakPolarHBondContact O-CB 3.38Å; S28-D31 PolarHBondContact O-N 3.38Å; S28-R32 PolarHBondContact O-N 2.94Å
29	D	79.5	Confident	72.7	Confident	123 Å²	123	89.2 Å²	89.2	66%	0.658	44%	0.436	S	S	*	.	H	α-helix	trans	-53.3	-32.1	174	-72.9	-46.4	0	0	0	112.1	R32 I33	D29-R32 PolarHBondContact O-N 3.49Å; D29-I33 VanDerWaalsContact O-CG1 3.29Å; D29-I33 WeakPolarHBondContact O-CG1 3.14Å; D29-I33 PolarHBondContact O-N 3.07Å
30	A	78.5	Confident	73.2	Confident	63 Å²	63	90.3 Å²	90.3	52%	0.521	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-41.6	173.9	0	0	0	0	0	112.6	S28 R34	S28-A30 PolarHBondContact O-N 3.37Å; S28-A30 VanDerWaalsContact O-N 3.09Å; S28-A30 PolarHBondContact OG-N 3.29Å; A30-R34 WeakPolarHBondContact O-CB 3.41Å; A30-R34 PolarHBondContact O-N 3.05Å
31	D	72.9	Confident	74.2	Confident	14 Å²	14	86.5 Å²	86.5	8%	0.075	43%	0.429	C	S	.	.	H	α-helix	trans	-70.2	-39.2	177.9	-72.5	-31.2	0	0	0	111	L27 S28 I33 R34 Y35 K68	L27-D31 HydrophobicContact CD1-CB 3.96Å; L27-D31 HydrophobicContact CG-CB 3.95Å; S28-D31 WeakPolarHBondContact O-CA 3.3Å; S28-D31 WeakPolarHBondContact O-CB 3.38Å; S28-D31 PolarHBondContact O-N 3.38Å; D31-I33 PolarHBondContact O-N 2.87Å; D31-R34 WeakPolarHBondContact O-CB 3.23Å; D31-R34 PolarHBondContact O-N 3.05Å; D31-R34 IonicContact OD1-NH1 3.65Å; D31-Y35 HydrophobicContact CB-CE2 4.28Å; D31-Y35 WeakPolarHBondContact O-CD2 3.46Å; D31-Y35 PolarHBondContact O-N 2.93Å; D31-K68 IonicContact OD1-NZ 2.63Å; D31-K68 PolarHBondContact OD1-NZ 3.49Å; D31-K68 IonicContact OD2-NZ 2.81Å; D31-K68 PolarHBondContact OD2-NZ 2.97Å
32	R	72.2	Confident	75.2	Confident	170 Å²	170	84.5 Å²	84.5	64%	0.642	42%	0.424	S	S	*	.	H	α-helix	trans	-59.8	-47.9	175	-167.5	-179.7	-169.9	-164.8	3.3	111.6	S28 D29 R34 Y35 V36	S28-R32 PolarHBondContact O-N 2.94Å; D29-R32 PolarHBondContact O-N 3.49Å; R32-R34 VanDerWaalsContact C-N 3.28Å; R32-R34 PolarHBondContact O-N 2.84Å; R32-Y35 PolarHBondContact O-N 3Å; R32-V36 WeakPolarHBondContact O-CG2 3.44Å; R32-V36 PolarHBondContact O-N 3.48Å; R32-V36 VanDerWaalsContact O-N 3.07Å
33	I	80.4	Confident	75.8	Confident	104 Å²	104	83.6 Å²	83.6	53%	0.533	43%	0.427	S	S	.	.	H	α-helix	trans	-60.1	-41.9	176.3	-69	166	0	0	0	110.3	D29 D31 V36 N37	D29-I33 VanDerWaalsContact O-CG1 3.29Å; D29-I33 WeakPolarHBondContact O-CG1 3.14Å; D29-I33 PolarHBondContact O-N 3.07Å; D31-I33 PolarHBondContact O-N 2.87Å; I33-V36 PolarHBondContact O-N 2.84Å; I33-N37 WeakPolarHBondContact O-CB 3.22Å; I33-N37 VanDerWaalsContact O-CG 3.28Å; I33-N37 PolarHBondContact O-N 2.64Å; I33-N37 PolarHBondContact O-ND2 2.66Å
34	R	75.5	Confident	76.8	Confident	87 Å²	87	82.3 Å²	82.3	33%	0.328	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-46	178.1	-175.3	-177.8	-75.9	176.8	-27.7	112.8	A30 D31 R32 N37 F38 D65	A30-R34 WeakPolarHBondContact O-CB 3.41Å; A30-R34 PolarHBondContact O-N 3.05Å; D31-R34 WeakPolarHBondContact O-CB 3.23Å; D31-R34 PolarHBondContact O-N 3.05Å; D31-R34 IonicContact OD1-NH1 3.65Å; R32-R34 VanDerWaalsContact C-N 3.28Å; R32-R34 PolarHBondContact O-N 2.84Å; R34-N37 PolarHBondContact O-N 3.13Å; R34-F38 WeakPolarHBondContact O-CB 3.45Å; R34-F38 PolarHBondContact O-N 2.89Å; R34-D65 WeakPolarHBondContact CD-OD2 3.19Å; R34-D65 IonicContact CZ-OD1 3.11Å; R34-D65 IonicContact CZ-OD2 2.8Å; R34-D65 IonicContact NE-OD2 3.29Å; R34-D65 PolarHBondContact NE-OD2 3.16Å; R34-D65 IonicContact NH1-OD1 3.66Å; R34-D65 PolarHBondContact NH1-OD1 2.82Å; R34-D65 IonicContact NH1-OD2 2.66Å; R34-D65 PolarHBondContact NH1-OD2 3.37Å; R34-D65 VanDerWaalsContact NH2-CG 3.35Å; R34-D65 IonicContact NH2-OD1 2.93Å; R34-D65 PolarHBondContact NH2-OD1 3.29Å; R34-D65 IonicContact NH2-OD2 3Å; R34-D65 PolarHBondContact NH2-OD2 3.48Å
35	Y	74.6	Confident	77.6	Confident	58 Å²	58	76 Å²	76	23%	0.227	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-37.9	177.4	-73.2	-61.7	0	0	0	112.6	L27 D31 R32 F38 S39 M72	L27-Y35 HydrophobicContact CD1-CE2 4.05Å; L27-Y35 HydrophobicContact CD2-CD2 4.17Å; L27-Y35 HydrophobicContact CD2-CE2 4.3Å; D31-Y35 HydrophobicContact CB-CE2 4.28Å; D31-Y35 WeakPolarHBondContact O-CD2 3.46Å; D31-Y35 PolarHBondContact O-N 2.93Å; R32-Y35 PolarHBondContact O-N 3Å; Y35-F38 PolarHBondContact O-N 2.94Å; Y35-S39 VanDerWaalsContact O-CB 3.3Å; Y35-S39 WeakPolarHBondContact O-CB 3.4Å; Y35-S39 PolarHBondContact O-N 2.85Å; Y35-M72 HydrophobicContact CE1-SD 4.28Å
36	V	79.8	Confident	78.4	Confident	70 Å²	70	75.7 Å²	75.7	42%	0.424	41%	0.405	S	S	.	.	H	α-helix	trans	-64.9	-43.2	175.5	171	0	0	0	0	110.9	R32 I33 S39 K40	R32-V36 WeakPolarHBondContact O-CG2 3.44Å; R32-V36 PolarHBondContact O-N 3.48Å; R32-V36 VanDerWaalsContact O-N 3.07Å; I33-V36 PolarHBondContact O-N 2.84Å; V36-S39 PolarHBondContact O-N 3.03Å; V36-K40 WeakPolarHBondContact O-CG 3.04Å; V36-K40 PolarHBondContact O-N 2.86Å
37	N	82.7	Confident	79.2	Confident	76 Å²	76	77.5 Å²	77.5	41%	0.406	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-45.2	176.5	-71.6	-15.1	0	0	0	111.3	I33 R34 S39 K40 E41	I33-N37 WeakPolarHBondContact O-CB 3.22Å; I33-N37 VanDerWaalsContact O-CG 3.28Å; I33-N37 PolarHBondContact O-N 2.64Å; I33-N37 PolarHBondContact O-ND2 2.66Å; R34-N37 PolarHBondContact O-N 3.13Å; N37-S39 VanDerWaalsContact C-N 3.34Å; N37-S39 PolarHBondContact O-N 2.9Å; N37-K40 WeakPolarHBondContact O-CB 3.43Å; N37-K40 PolarHBondContact O-N 2.81Å; N37-E41 WeakPolarHBondContact O-CG 3.32Å; N37-E41 PolarHBondContact O-N 2.63Å
38	F	83.2	Confident	79.5	Confident	14 Å²	14	76.8 Å²	76.8	6%	0.061	42%	0.422	C	S	.	.	H	α-helix	trans	-60.3	-42.3	174.9	177.3	-109.9	0	0	0	112.2	R34 Y35 K40 E41 L42 T57 I58 H61 M72	R34-F38 WeakPolarHBondContact O-CB 3.45Å; R34-F38 PolarHBondContact O-N 2.89Å; Y35-F38 PolarHBondContact O-N 2.94Å; F38-K40 VanDerWaalsContact C-N 3.32Å; F38-K40 PolarHBondContact O-N 3.48Å; F38-E41 PolarHBondContact O-N 2.6Å; F38-L42 HydrophobicContact CE1-CD2 3.96Å; F38-L42 HydrophobicContact CZ-CB 4.44Å; F38-L42 HydrophobicContact CZ-CD1 4.31Å; F38-L42 HydrophobicContact CZ-CD2 4.16Å; F38-L42 WeakPolarHBondContact O-CB 2.98Å; F38-L42 PolarHBondContact O-N 3.42Å; F38-T57 HydrophobicContact CD2-CG2 4.14Å; F38-T57 HydrophobicContact CE2-CG2 3.96Å; F38-I58 HydrophobicContact CZ-CG1 4.49Å; F38-H61 AromaticContact CD1-CD2 3.74Å; F38-H61 AromaticContact CD1-NE2 3.73Å; F38-H61 HydrophobicContact CD2-CB 3.35Å; F38-H61 AromaticContact CD2-CD2 3.6Å; F38-H61 AromaticContact CD2-CG 3.21Å; F38-H61 AromaticContact CD2-ND1 3.56Å; F38-H61 AromaticContact CE1-CD2 3.82Å; F38-H61 HydrophobicContact CE2-CB 3.3Å; F38-H61 AromaticContact CE2-CD2 3.66Å; F38-H61 AromaticContact CE2-CG 3.48Å; F38-H61 VanDerWaalsContact CE2-CG 3.48Å; F38-H61 HydrophobicContact CG-CB 4.23Å; F38-H61 AromaticContact CG-CD2 3.63Å; F38-H61 AromaticContact CG-CE1 3.68Å; F38-H61 AromaticContact CG-CG 3.59Å; F38-H61 AromaticContact CG-ND1 3.62Å; F38-H61 AromaticContact CG-NE2 3.69Å; F38-H61 HydrophobicContact CZ-CB 4.17Å; F38-H61 AromaticContact CZ-CD2 3.76Å; F38-M72 HydrophobicContact CE1-CE 3.71Å; F38-M72 HydrophobicContact CE1-SD 4.21Å; F38-M72 HydrophobicContact CZ-CE 4.31Å
39	S	79.9	Confident	79.4	Confident	66 Å²	66	81 Å²	81	46%	0.462	44%	0.439	S	S	.	.	H	α-helix	trans	-60.3	-40.7	176.1	172.8	0	0	0	0	112.1	Y35 V36 N37 S43	Y35-S39 VanDerWaalsContact O-CB 3.3Å; Y35-S39 WeakPolarHBondContact O-CB 3.4Å; Y35-S39 PolarHBondContact O-N 2.85Å; V36-S39 PolarHBondContact O-N 3.03Å; N37-S39 VanDerWaalsContact C-N 3.34Å; N37-S39 PolarHBondContact O-N 2.9Å; S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.06Å; S39-S43 PolarHBondContact O-N 3.03Å; S39-S43 PolarHBondContact O-OG 3.01Å
40	K	84	Confident	79.2	Confident	137 Å²	137	79.4 Å²	79.4	60%	0.596	43%	0.431	S	S	*	.	H	α-helix	trans	-65.5	-47.2	174.8	-72.3	176.4	-178.7	178.2	0	111.8	V36 N37 F38 L42 S43 A44	V36-K40 WeakPolarHBondContact O-CG 3.04Å; V36-K40 PolarHBondContact O-N 2.86Å; N37-K40 WeakPolarHBondContact O-CB 3.43Å; N37-K40 PolarHBondContact O-N 2.81Å; F38-K40 VanDerWaalsContact C-N 3.32Å; F38-K40 PolarHBondContact O-N 3.48Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-S43 PolarHBondContact O-N 3.29Å; K40-A44 WeakPolarHBondContact O-CB 3.46Å; K40-A44 PolarHBondContact O-N 2.83Å
41	E	82.7	Confident	79.2	Confident	103 Å²	103	81.3 Å²	81.3	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-40	178.3	-70.1	176	-176.6	0	0	112	N37 F38 A44 A45 T57	N37-E41 WeakPolarHBondContact O-CG 3.32Å; N37-E41 PolarHBondContact O-N 2.63Å; F38-E41 PolarHBondContact O-N 2.6Å; E41-A44 PolarHBondContact O-N 3.3Å; E41-A45 VanDerWaalsContact O-CB 3.25Å; E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 3.48Å; E41-T57 HydrophobicContact CB-CG2 3.53Å
42	L	83	Confident	79.6	Confident	45 Å²	45	83.6 Å²	83.6	24%	0.236	46%	0.455	C	S	.	.	H	α-helix	trans	-66.6	-43.5	178.1	-176.1	66.6	0	0	0	110.7	F38 K40 A45 L46 L54 I58	F38-L42 HydrophobicContact CE1-CD2 3.96Å; F38-L42 HydrophobicContact CZ-CB 4.44Å; F38-L42 HydrophobicContact CZ-CD1 4.31Å; F38-L42 HydrophobicContact CZ-CD2 4.16Å; F38-L42 WeakPolarHBondContact O-CB 2.98Å; F38-L42 PolarHBondContact O-N 3.42Å; K40-L42 VanDerWaalsContact C-N 3.34Å; L42-A45 PolarHBondContact O-N 2.76Å; L42-L46 HydrophobicContact CD1-CD1 4.42Å; L42-L46 HydrophobicContact CG-CD1 4.04Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 2.86Å; L42-L54 HydrophobicContact CD1-CD1 3.46Å; L42-L54 VanDerWaalsContact CD1-CD1 3.46Å; L42-I58 HydrophobicContact CD1-CD1 4.18Å; L42-I58 HydrophobicContact CD1-CG1 3.94Å
43	S	83	Confident	79.8	Confident	56 Å²	56	77.4 Å²	77.4	39%	0.392	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-40.7	176.2	-56.7	0	0	0	0	111.7	S39 K40 L46 N47	S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.06Å; S39-S43 PolarHBondContact O-N 3.03Å; S39-S43 PolarHBondContact O-OG 3.01Å; K40-S43 PolarHBondContact O-N 3.29Å; S43-L46 PolarHBondContact O-N 3.47Å; S43-N47 WeakPolarHBondContact O-CB 3.3Å; S43-N47 VanDerWaalsContact O-CG 3.28Å; S43-N47 PolarHBondContact O-N 3.43Å; S43-N47 PolarHBondContact O-ND2 3.09Å
44	A	83	Confident	79.8	Confident	67 Å²	67	74.8 Å²	74.8	55%	0.554	42%	0.424	S	S	*	.	H	α-helix	trans	-64.8	-40.6	174.6	0	0	0	0	0	111.9	K40 E41 N47 G48	K40-A44 WeakPolarHBondContact O-CB 3.46Å; K40-A44 PolarHBondContact O-N 2.83Å; E41-A44 PolarHBondContact O-N 3.3Å; A44-N47 PolarHBondContact O-N 3.1Å; A44-G48 PolarHBondContact O-N 3.31Å; A44-G48 VanDerWaalsContact O-N 3.11Å
45	A	79.2	Confident	80.2	Confident	10 Å²	10	78.2 Å²	78.2	8%	0.083	44%	0.442	C	S	.	.	H	α-helix	trans	-70.3	-36.4	177.5	0	0	0	0	0	112.9	E41 L42 G48 L54	E41-A45 VanDerWaalsContact O-CB 3.25Å; E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 3.48Å; L42-A45 PolarHBondContact O-N 2.76Å; A45-G48 PolarHBondContact O-N 2.98Å; A45-L54 HydrophobicContact CB-CB 4.27Å; A45-L54 HydrophobicContact CB-CD1 4.11Å
46	L	81.2	Confident	80.6	Confident	104 Å²	104	83.3 Å²	83.3	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-66	-39.7	173.6	-90.9	155	0	0	0	112	L42 S43 G48 L54	L42-L46 HydrophobicContact CD1-CD1 4.42Å; L42-L46 HydrophobicContact CG-CD1 4.04Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 2.86Å; S43-L46 PolarHBondContact O-N 3.47Å; L46-G48 VanDerWaalsContact C-N 3.32Å; L46-L54 HydrophobicContact CG-CD1 4.23Å
47	N	83	Confident	80.6	Confident	138 Å²	138	81 Å²	81	74%	0.738	45%	0.447	S	S	*	.	H	α-helix	trans	-77.8	-15.7	179.1	-71.6	-20.8	0	0	0	113.6	S43 A44 D49	S43-N47 WeakPolarHBondContact O-CB 3.3Å; S43-N47 VanDerWaalsContact O-CG 3.28Å; S43-N47 PolarHBondContact O-N 3.43Å; S43-N47 PolarHBondContact O-ND2 3.09Å; A44-N47 PolarHBondContact O-N 3.1Å; N47-D49 VanDerWaalsContact C-N 3.34Å
48	G	76.6	Confident	80.4	Confident	44 Å²	44	80.4 Å²	80.4	45%	0.454	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.1	-176.6	0	0	0	0	0	115.3	A44 A45 L46 D50	A44-G48 PolarHBondContact O-N 3.31Å; A44-G48 VanDerWaalsContact O-N 3.11Å; A45-G48 PolarHBondContact O-N 2.98Å; L46-G48 VanDerWaalsContact C-N 3.32Å; G48-D50 PolarHBondContact O-N 3Å
49	D	71.6	Confident	80.4	Confident	152 Å²	152	81.7 Å²	81.7	81%	0.813	45%	0.453	S	S	*	.			trans	50.3	12.5	-175.6	-76.5	-29.7	0	0	0	115.9	N47 P51	N47-D49 VanDerWaalsContact C-N 3.34Å; D49-P51 WeakPolarHBondContact O-CD 3.17Å
50	D	75.3	Confident	80.4	Confident	90 Å²	90	83.4 Å²	83.4	48%	0.481	46%	0.457	S	S	.	.			trans	-101.2	106.4	-179	-84.3	-30.9	0	0	0	111.1	G48 S52 S53 L54	G48-D50 PolarHBondContact O-N 3Å; D50-S52 PolarHBondContact O-N 3.19Å; D50-S52 VanDerWaalsContact O-N 3.16Å; D50-S53 PolarHBondContact O-N 3.38Å; D50-S53 VanDerWaalsContact O-N 3.15Å; D50-L54 PolarHBondContact O-N 3.42Å
51	P	78.5	Confident	79.9	Confident	103 Å²	103	78 Å²	78	67%	0.669	43%	0.434	S	S	*	.	H	α-helix	trans	-64.9	-24.1	-178.9	25.8	-34.5	0	0	0	112.7	D49 K55	D49-P51 WeakPolarHBondContact O-CD 3.17Å; P51-K55 WeakPolarHBondContact O-CB 3.15Å; P51-K55 PolarHBondContact O-N 3.3Å
52	S	81.4	Confident	79.5	Confident	61 Å²	61	76.6 Å²	76.6	43%	0.427	43%	0.429	S	S	.	.	H	α-helix	trans	-72	-37	177.7	69.5	0	0	0	0	112.4	D50 K55 R56	D50-S52 PolarHBondContact O-N 3.19Å; D50-S52 VanDerWaalsContact O-N 3.16Å; S52-K55 PolarHBondContact O-N 2.79Å; S52-R56 WeakPolarHBondContact O-CG 3.34Å; S52-R56 PolarHBondContact O-N 2.96Å
53	S	77.1	Confident	79.3	Confident	40 Å²	40	82 Å²	82	28%	0.28	45%	0.451	S	S	.	.	H	α-helix	trans	-66.9	-46	175.9	-64.2	0	0	0	0	110.5	D50 K55 R56 T57	D50-S53 PolarHBondContact O-N 3.38Å; D50-S53 VanDerWaalsContact O-N 3.15Å; S53-K55 PolarHBondContact O-N 3.11Å; S53-R56 PolarHBondContact O-N 2.83Å; S53-T57 PolarHBondContact O-N 3.21Å; S53-T57 PolarHBondContact O-OG1 3.01Å; S53-T57 VanDerWaalsContact O-OG1 3.11Å
54	L	79.8	Confident	78.8	Confident	49 Å²	49	83.1 Å²	83.1	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-59	-46.9	175.1	-175.7	65.3	0	0	0	111.9	L42 A45 L46 D50 R56 T57 I58	L42-L54 HydrophobicContact CD1-CD1 3.46Å; L42-L54 VanDerWaalsContact CD1-CD1 3.46Å; A45-L54 HydrophobicContact CB-CB 4.27Å; A45-L54 HydrophobicContact CB-CD1 4.11Å; L46-L54 HydrophobicContact CG-CD1 4.23Å; D50-L54 PolarHBondContact O-N 3.42Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.44Å; L54-T57 PolarHBondContact O-N 2.98Å; L54-I58 HydrophobicContact CD1-CD1 3.87Å; L54-I58 HydrophobicContact CD1-CG1 4.31Å; L54-I58 HydrophobicContact CG-CD1 3.86Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 2.72Å
55	K	84.9	Confident	78.1	Confident	160 Å²	160	81.2 Å²	81.2	70%	0.696	44%	0.44	S	S	*	.	H	α-helix	trans	-60.4	-40.9	177.7	-175.4	176.1	178.8	-179.7	0	111.6	P51 S52 S53 S59	P51-K55 WeakPolarHBondContact O-CB 3.15Å; P51-K55 PolarHBondContact O-N 3.3Å; S52-K55 PolarHBondContact O-N 2.79Å; S53-K55 PolarHBondContact O-N 3.11Å; K55-S59 WeakPolarHBondContact O-CB 3.39Å; K55-S59 PolarHBondContact O-N 3.38Å
56	R	82.4	Confident	77.4	Confident	165 Å²	165	85 Å²	85	62%	0.623	46%	0.463	S	S	*	.	H	α-helix	trans	-66.6	-45.7	177	-76.3	175.4	-176.7	157.7	1.4	112	S52 S53 L54 S59 N60	S52-R56 WeakPolarHBondContact O-CG 3.34Å; S52-R56 PolarHBondContact O-N 2.96Å; S53-R56 PolarHBondContact O-N 2.83Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.44Å; R56-S59 PolarHBondContact O-N 2.8Å; R56-N60 VanDerWaalsContact O-CB 3.23Å; R56-N60 WeakPolarHBondContact O-CB 3.21Å; R56-N60 PolarHBondContact O-N 3.47Å; R56-N60 PolarHBondContact O-ND2 2.99Å
57	T	80.1	Confident	76.5	Confident	21 Å²	21	88.4 Å²	88.4	13%	0.129	48%	0.476	C	S	.	.	H	α-helix	trans	-60.6	-48.9	178.5	-59.5	0	0	0	0	111.4	F38 E41 S53 L54 H61	F38-T57 HydrophobicContact CD2-CG2 4.14Å; F38-T57 HydrophobicContact CE2-CG2 3.96Å; E41-T57 HydrophobicContact CB-CG2 3.53Å; S53-T57 PolarHBondContact O-N 3.21Å; S53-T57 PolarHBondContact O-OG1 3.01Å; S53-T57 VanDerWaalsContact O-OG1 3.11Å; L54-T57 PolarHBondContact O-N 2.98Å; T57-H61 WeakPolarHBondContact O-CB 3.15Å; T57-H61 PolarHBondContact O-N 2.86Å
58	I	79.7	Confident	75.4	Confident	63 Å²	63	85.2 Å²	85.2	32%	0.323	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-47	177.8	-66.4	173.9	0	0	0	110.2	F38 L42 L54 N60 H61 I62	F38-I58 HydrophobicContact CZ-CG1 4.49Å; L42-I58 HydrophobicContact CD1-CD1 4.18Å; L42-I58 HydrophobicContact CD1-CG1 3.94Å; L54-I58 HydrophobicContact CD1-CD1 3.87Å; L54-I58 HydrophobicContact CD1-CG1 4.31Å; L54-I58 HydrophobicContact CG-CD1 3.86Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 2.72Å; I58-N60 PolarHBondContact O-N 3.1Å; I58-H61 PolarHBondContact O-N 3.03Å; I58-I62 HydrophobicContact CG2-CD1 3.43Å; I58-I62 VanDerWaalsContact CG2-CD1 3.43Å; I58-I62 HydrophobicContact CG2-CG1 4.1Å; I58-I62 WeakPolarHBondContact O-CB 3.44Å; I58-I62 WeakPolarHBondContact O-CG1 3.29Å; I58-I62 PolarHBondContact O-N 2.88Å
59	S	81.3	Confident	74.3	Confident	41 Å²	41	85.4 Å²	85.4	29%	0.287	45%	0.446	S	S	.	.	H	α-helix	trans	-59.4	-48.5	178.8	-177.1	0	0	0	0	111.7	K55 R56 H61 I62 F63	K55-S59 WeakPolarHBondContact O-CB 3.39Å; K55-S59 PolarHBondContact O-N 3.38Å; R56-S59 PolarHBondContact O-N 2.8Å; S59-H61 VanDerWaalsContact C-N 3.29Å; S59-H61 PolarHBondContact O-N 3.33Å; S59-I62 PolarHBondContact O-N 2.82Å; S59-I62 VanDerWaalsContact O-N 3.16Å; S59-F63 WeakPolarHBondContact O-CB 3.2Å; S59-F63 VanDerWaalsContact O-CD2 3.23Å; S59-F63 WeakPolarHBondContact O-CD2 3.22Å; S59-F63 PolarHBondContact O-N 3Å; S59-F63 WeakPolarHBondContact OG-CD2 3.47Å; S59-F63 WeakPolarHBondContact OG-CE2 3.3Å
60	N	80.8	Confident	73.4	Confident	102 Å²	102	85.4 Å²	85.4	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-40.1	180	-71.6	-13	0	0	0	111.1	R56 I58 S64	R56-N60 VanDerWaalsContact O-CB 3.23Å; R56-N60 WeakPolarHBondContact O-CB 3.21Å; R56-N60 PolarHBondContact O-N 3.47Å; R56-N60 PolarHBondContact O-ND2 2.99Å; I58-N60 PolarHBondContact O-N 3.1Å; N60-S64 VanDerWaalsContact O-CB 3.22Å; N60-S64 WeakPolarHBondContact O-CB 3.28Å; N60-S64 PolarHBondContact O-N 2.85Å; N60-S64 PolarHBondContact O-OG 3.43Å
61	H	74.3	Confident	72.4	Confident	23 Å²	23	84.9 Å²	84.9	11%	0.106	44%	0.436	C	S	.	.	H	α-helix	trans	-69.1	-37.7	175.4	-165.6	66.5	0	0	0	112.7	F38 T57 I58 S59	F38-H61 AromaticContact CD1-CD2 3.74Å; F38-H61 AromaticContact CD1-NE2 3.73Å; F38-H61 HydrophobicContact CD2-CB 3.35Å; F38-H61 AromaticContact CD2-CD2 3.6Å; F38-H61 AromaticContact CD2-CG 3.21Å; F38-H61 AromaticContact CD2-ND1 3.56Å; F38-H61 AromaticContact CE1-CD2 3.82Å; F38-H61 HydrophobicContact CE2-CB 3.3Å; F38-H61 AromaticContact CE2-CD2 3.66Å; F38-H61 AromaticContact CE2-CG 3.48Å; F38-H61 VanDerWaalsContact CE2-CG 3.48Å; F38-H61 HydrophobicContact CG-CB 4.23Å; F38-H61 AromaticContact CG-CD2 3.63Å; F38-H61 AromaticContact CG-CE1 3.68Å; F38-H61 AromaticContact CG-CG 3.59Å; F38-H61 AromaticContact CG-ND1 3.62Å; F38-H61 AromaticContact CG-NE2 3.69Å; F38-H61 HydrophobicContact CZ-CB 4.17Å; F38-H61 AromaticContact CZ-CD2 3.76Å; T57-H61 WeakPolarHBondContact O-CB 3.15Å; T57-H61 PolarHBondContact O-N 2.86Å; I58-H61 PolarHBondContact O-N 3.03Å; S59-H61 VanDerWaalsContact C-N 3.29Å; S59-H61 PolarHBondContact O-N 3.33Å
62	I	73.7	Confident	71.1	Confident	74 Å²	74	84.5 Å²	84.5	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-47.2	178.1	-70.3	173.1	0	0	0	111.4	I58 S59 L69	I58-I62 HydrophobicContact CG2-CD1 3.43Å; I58-I62 VanDerWaalsContact CG2-CD1 3.43Å; I58-I62 HydrophobicContact CG2-CG1 4.1Å; I58-I62 WeakPolarHBondContact O-CB 3.44Å; I58-I62 WeakPolarHBondContact O-CG1 3.29Å; I58-I62 PolarHBondContact O-N 2.88Å; S59-I62 PolarHBondContact O-N 2.82Å; S59-I62 VanDerWaalsContact O-N 3.16Å; I62-L69 HydrophobicContact CB-CD1 4.1Å; I62-L69 HydrophobicContact CB-CD2 4.33Å; I62-L69 HydrophobicContact CG1-CD1 4.32Å; I62-L69 HydrophobicContact CG1-CD2 3.62Å; I62-L69 HydrophobicContact CG2-CD1 4.04Å; I62-L69 WeakPolarHBondContact O-CD1 3.34Å
63	F	78	Confident	69.7	Low	159 Å²	159	91.5 Å²	91.5	70%	0.697	45%	0.449	S	S	*	.	H	α-helix	trans	-77.2	-26.8	-175.5	-81.2	-74.2	0	0	0	113.4	S59 D65	S59-F63 WeakPolarHBondContact O-CB 3.2Å; S59-F63 VanDerWaalsContact O-CD2 3.23Å; S59-F63 WeakPolarHBondContact O-CD2 3.22Å; S59-F63 PolarHBondContact O-N 3Å; S59-F63 WeakPolarHBondContact OG-CD2 3.47Å; S59-F63 WeakPolarHBondContact OG-CE2 3.3Å; F63-D65 VanDerWaalsContact C-N 3.3Å; F63-D65 PolarHBondContact O-N 2.95Å
64	S	72.5	Confident	68.3	Low	79 Å²	79	96.8 Å²	96.8	55%	0.552	47%	0.474	S	S	*	.	H	α-helix	trans	-69	-30.6	179.4	-62.6	0	0	0	0	112.2	N60	N60-S64 VanDerWaalsContact O-CB 3.22Å; N60-S64 WeakPolarHBondContact O-CB 3.28Å; N60-S64 PolarHBondContact O-N 2.85Å; N60-S64 PolarHBondContact O-OG 3.43Å
65	D	68.3	Low	66.7	Low	28 Å²	28	100.6 Å²	100.6	15%	0.15	49%	0.494	C	S	.	.			trans	-146.9	63	-173.5	-58.8	-80.6	0	0	0	113.2	R34 F63 E67 K68 L69	R34-D65 WeakPolarHBondContact CD-OD2 3.19Å; R34-D65 IonicContact CZ-OD1 3.11Å; R34-D65 IonicContact CZ-OD2 2.8Å; R34-D65 IonicContact NE-OD2 3.29Å; R34-D65 PolarHBondContact NE-OD2 3.16Å; R34-D65 IonicContact NH1-OD1 3.66Å; R34-D65 PolarHBondContact NH1-OD1 2.82Å; R34-D65 IonicContact NH1-OD2 2.66Å; R34-D65 PolarHBondContact NH1-OD2 3.37Å; R34-D65 VanDerWaalsContact NH2-CG 3.35Å; R34-D65 IonicContact NH2-OD1 2.93Å; R34-D65 PolarHBondContact NH2-OD1 3.29Å; R34-D65 IonicContact NH2-OD2 3Å; R34-D65 PolarHBondContact NH2-OD2 3.48Å; F63-D65 VanDerWaalsContact C-N 3.3Å; F63-D65 PolarHBondContact O-N 2.95Å; D65-E67 PolarHBondContact O-N 3.28Å; D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 HydrophobicContact CB-CG 4.4Å; D65-K68 PolarHBondContact O-N 3.05Å; D65-L69 VanDerWaalsContact O-CD1 3.22Å; D65-L69 WeakPolarHBondContact O-CD1 3.38Å
66	P	64.3	Low	64.8	Low	89 Å²	89	99.9 Å²	99.9	58%	0.578	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.9	-177.8	20.2	-32.5	0	0	0	113.1	K68	P66-K68 VanDerWaalsContact C-N 3.32Å; P66-K68 PolarHBondContact O-N 3.07Å
67	E	64.1	Low	63.4	Low	175 Å²	175	99.5 Å²	99.5	82%	0.818	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.3	-178.1	-54.8	-171.6	-179.4	0	0	113.5	D65	D65-E67 PolarHBondContact O-N 3.28Å
68	K	58.3	Low	62.3	Low	72 Å²	72	104.2 Å²	104.2	31%	0.313	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.6	-174.6	-58.5	-166.2	-177.2	-167.7	0	113.9	D31 D65 P66 I70 R71	D31-K68 IonicContact OD1-NZ 2.63Å; D31-K68 PolarHBondContact OD1-NZ 3.49Å; D31-K68 IonicContact OD2-NZ 2.81Å; D31-K68 PolarHBondContact OD2-NZ 2.97Å; D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 HydrophobicContact CB-CG 4.4Å; D65-K68 PolarHBondContact O-N 3.05Å; P66-K68 VanDerWaalsContact C-N 3.32Å; P66-K68 PolarHBondContact O-N 3.07Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 2.89Å; K68-R71 PolarHBondContact O-N 3.33Å
69	L	53.9	Low	61.2	Low	47 Å²	47	107.3 Å²	107.3	25%	0.246	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-77.5	-12.9	179.2	-76.3	130.7	0	0	0	115.2	I62 D65 R71 M72	I62-L69 HydrophobicContact CB-CD1 4.1Å; I62-L69 HydrophobicContact CB-CD2 4.33Å; I62-L69 HydrophobicContact CG1-CD1 4.32Å; I62-L69 HydrophobicContact CG1-CD2 3.62Å; I62-L69 HydrophobicContact CG2-CD1 4.04Å; I62-L69 WeakPolarHBondContact O-CD1 3.34Å; D65-L69 VanDerWaalsContact O-CD1 3.22Å; D65-L69 WeakPolarHBondContact O-CD1 3.38Å; L69-R71 PolarHBondContact O-N 3.34Å; L69-R71 VanDerWaalsContact O-N 3.1Å; L69-M72 PolarHBondContact O-N 2.96Å
70	I	53.2	Low	60.4	Low	153 Å²	153	107.3 Å²	107.3	79%	0.785	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-62.2	-17.3	172.1	-59.2	174.7	0	0	0	110.6	K68	K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 2.89Å
71	R	53.4	Low	59.7	Low	78 Å²	78	105 Å²	105	29%	0.294	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-89.5	6.8	-179.5	-57.3	-158	-156.5	-177.2	1.9	116.3	D23 K68 L69	D23-R71 PolarHBondContact O-NH1 3.49Å; K68-R71 PolarHBondContact O-N 3.33Å; L69-R71 PolarHBondContact O-N 3.34Å; L69-R71 VanDerWaalsContact O-N 3.1Å
72	M	50.8	Low	59.5	Low	96 Å²	96	108.6 Å²	108.6	47%	0.473	56%	0.563	S	S	.	*			trans	-117.8	67.6	-173.8	-126.1	173.1	75.3	0	0	112.1	Y35 F38 L69	Y35-M72 HydrophobicContact CE1-SD 4.28Å; F38-M72 HydrophobicContact CE1-CE 3.71Å; F38-M72 HydrophobicContact CE1-SD 4.21Å; F38-M72 HydrophobicContact CZ-CE 4.31Å; L69-M72 PolarHBondContact O-N 2.96Å
73	K	52	Low	59.6	Low	207 Å²	207	111 Å²	111	90%	0.9	57%	0.573	S	S	*	*			trans	-109.8	83.2	168.2	-139.4	177.1	-176.7	-176.5	0	110.5
74	L	48	Very low	59.6	Low	152 Å²	152	108 Å²	108	80%	0.796	56%	0.56	S	S	*	*	S	Bend	trans	35.6	123.1	146.8	-124.6	78.7	0	0	0	121.4
75	L	47.4	Very low	59.5	Low	129 Å²	129	107 Å²	107	68%	0.675	55%	0.549	S	S	*	.			trans	77	99.7	167.9	-72.2	111.9	0	0	0	118.4	F77	L75-F77 HydrophobicContact CB-CD2 4.41Å; L75-F77 HydrophobicContact CB-CE2 4.37Å; L75-F77 HydrophobicContact CD2-CE2 4.17Å; L75-F77 PolarHBondContact O-N 3.36Å
76	T	44.7	Very low	60	Low	144 Å²	144	111.8 Å²	111.8	88%	0.883	57%	0.572	S	S	*	*			trans	-67.3	83.8	164.7	50.9	0	0	0	0	111
77	F	52.7	Low	60.9	Low	158 Å²	158	111.6 Å²	111.6	69%	0.693	57%	0.569	S	S	*	*			trans	-84	133.4	148.1	-72.1	-81.1	0	0	0	107	L75 L79	L75-F77 HydrophobicContact CB-CD2 4.41Å; L75-F77 HydrophobicContact CB-CE2 4.37Å; L75-F77 HydrophobicContact CD2-CE2 4.17Å; L75-F77 PolarHBondContact O-N 3.36Å; F77-L79 PolarHBondContact O-N 2.88Å
78	P	58	Low	61.6	Low	120 Å²	120	110.3 Å²	110.3	78%	0.779	56%	0.556	S	S	*	*			trans	-56.3	114.8	166.6	24.8	-31.2	0	0	0	106.5	P80	P78-P80 WeakPolarHBondContact O-CD 3.29Å; P78-P80 VanDerWaalsContact O-N 3.11Å
79	L	56.5	Low	62.7	Low	128 Å²	128	116 Å²	116	67%	0.67	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-58.4	121.9	175.5	-118.9	82.7	0	0	0	106	F77	F77-L79 PolarHBondContact O-N 2.88Å
80	P	62.6	Low	64.2	Low	40 Å²	40	116.8 Å²	116.8	26%	0.26	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-55.9	139.8	175.6	18.4	-25.9	0	0	0	107.8	P78 E84 L85	P78-P80 WeakPolarHBondContact O-CD 3.29Å; P78-P80 VanDerWaalsContact O-N 3.11Å; P80-E84 HydrophobicContact CB-CB 3.85Å; P80-E84 WeakPolarHBondContact CB-OE2 3.12Å; P80-L85 HydrophobicContact CB-CG 4.35Å; P80-L85 HydrophobicContact CG-CD2 3.67Å; P80-L85 HydrophobicContact CG-CG 3.83Å; P80-L85 WeakPolarHBondContact O-CD1 3.46Å
81	P	68	Low	65.8	Low	53 Å²	53	114.5 Å²	114.5	34%	0.344	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-61.3	156.4	-175.8	34.7	-41.4	0	0	0	109.2	E83 E84 L85	P81-E83 HydrophobicContact CB-CG 4.33Å; P81-E83 WeakPolarHBondContact CB-OE1 2.92Å; P81-E83 WeakPolarHBondContact CB-OE2 3.44Å; P81-E83 HydrophobicContact CG-CG 4.03Å; P81-E83 VanDerWaalsContact CG-OE1 3.3Å; P81-E83 WeakPolarHBondContact CG-OE1 3.29Å; P81-E83 PolarHBondContact O-N 3.45Å; P81-E84 HydrophobicContact CG-CB 4.18Å; P81-E84 HydrophobicContact CG-CG 3.85Å; P81-E84 PolarHBondContact O-N 3.45Å; P81-L85 PolarHBondContact O-N 3.28Å; P81-L85 VanDerWaalsContact O-N 3.1Å
82	N	68.7	Low	67.3	Low	99 Å²	99	116 Å²	116	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-57	-29.6	-168	-67.9	-52.6	0	0	0	112.5	L85 M86	N82-L85 PolarHBondContact O-N 2.91Å; N82-M86 WeakPolarHBondContact O-CB 3.35Å; N82-M86 PolarHBondContact O-N 2.87Å
83	E	77.2	Confident	69.1	Low	126 Å²	126	113.2 Å²	113.2	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-61.1	-45.2	172.2	61	-86.3	-158.2	0	0	112.7	P81 M86 V87	P81-E83 HydrophobicContact CB-CG 4.33Å; P81-E83 WeakPolarHBondContact CB-OE1 2.92Å; P81-E83 WeakPolarHBondContact CB-OE2 3.44Å; P81-E83 HydrophobicContact CG-CG 4.03Å; P81-E83 VanDerWaalsContact CG-OE1 3.3Å; P81-E83 WeakPolarHBondContact CG-OE1 3.29Å; P81-E83 PolarHBondContact O-N 3.45Å; E83-M86 PolarHBondContact O-N 3.19Å; E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.42Å; E83-V87 PolarHBondContact O-N 2.85Å
84	E	76.2	Confident	71.1	Confident	94 Å²	94	105.1 Å²	105.1	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-69	-38	176.8	-75.6	-172	-168.1	0	0	111.6	P80 P81 M86 V87 R88	P80-E84 HydrophobicContact CB-CB 3.85Å; P80-E84 WeakPolarHBondContact CB-OE2 3.12Å; P81-E84 HydrophobicContact CG-CB 4.18Å; P81-E84 HydrophobicContact CG-CG 3.85Å; P81-E84 PolarHBondContact O-N 3.45Å; E84-M86 VanDerWaalsContact C-N 3.34Å; E84-V87 PolarHBondContact O-N 3.4Å; E84-R88 WeakPolarHBondContact O-CB 3.49Å; E84-R88 VanDerWaalsContact O-CG 3.27Å; E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.49Å
85	L	71.5	Confident	73.3	Confident	60 Å²	60	102.2 Å²	102.2	31%	0.314	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-40.1	174.3	-75.9	170.1	0	0	0	111.9	P80 P81 N82 R89	P80-L85 HydrophobicContact CB-CG 4.35Å; P80-L85 HydrophobicContact CG-CD2 3.67Å; P80-L85 HydrophobicContact CG-CG 3.83Å; P80-L85 WeakPolarHBondContact O-CD1 3.46Å; P81-L85 PolarHBondContact O-N 3.28Å; P81-L85 VanDerWaalsContact O-N 3.1Å; N82-L85 PolarHBondContact O-N 2.91Å; L85-R89 VanDerWaalsContact O-CB 3.31Å; L85-R89 WeakPolarHBondContact O-CB 3.33Å; L85-R89 PolarHBondContact O-N 3.07Å
86	M	77.8	Confident	75.5	Confident	128 Å²	128	99.7 Å²	99.7	63%	0.631	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-45.8	175.7	-178.3	175	173	0	0	110.8	N82 E83 E84 R89 V90	N82-M86 WeakPolarHBondContact O-CB 3.35Å; N82-M86 PolarHBondContact O-N 2.87Å; E83-M86 PolarHBondContact O-N 3.19Å; E84-M86 VanDerWaalsContact C-N 3.34Å; M86-R89 PolarHBondContact O-N 3.18Å; M86-V90 WeakPolarHBondContact O-CG2 3.31Å; M86-V90 PolarHBondContact O-N 3.35Å
87	V	84.2	Confident	77.8	Confident	84 Å²	84	95.8 Å²	95.8	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-46.8	176.5	171.9	0	0	0	0	111	E83 E84 R89 V90 M91	E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.42Å; E83-V87 PolarHBondContact O-N 2.85Å; E84-V87 PolarHBondContact O-N 3.4Å; V87-R89 PolarHBondContact O-N 2.69Å; V87-V90 PolarHBondContact O-N 2.83Å; V87-M91 HydrophobicContact CG1-CG 4.33Å; V87-M91 HydrophobicContact CG1-SD 3.97Å; V87-M91 WeakPolarHBondContact O-CG 3.25Å; V87-M91 PolarHBondContact O-N 3.18Å
88	R	78.8	Confident	79.9	Confident	148 Å²	148	89 Å²	89	56%	0.558	46%	0.46	S	S	*	.	H	α-helix	trans	-58.6	-46.1	175.2	-74.3	171.9	-177.7	-97.1	2.1	111.7	E84 V90 M91 D92	E84-R88 WeakPolarHBondContact O-CB 3.49Å; E84-R88 VanDerWaalsContact O-CG 3.27Å; E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.49Å; R88-V90 VanDerWaalsContact C-N 3.3Å; R88-V90 PolarHBondContact O-N 2.86Å; R88-M91 PolarHBondContact O-N 3.24Å; R88-D92 WeakPolarHBondContact O-CB 3.37Å; R88-D92 PolarHBondContact O-N 2.99Å
89	R	80.8	Confident	81.7	Confident	193 Å²	193	88.8 Å²	88.8	73%	0.728	45%	0.452	S	S	*	.	H	α-helix	trans	-60.2	-39.7	176.8	-174.9	-176.5	-64.7	155.7	1.5	112.1	L85 M86 V87 S93	L85-R89 VanDerWaalsContact O-CB 3.31Å; L85-R89 WeakPolarHBondContact O-CB 3.33Å; L85-R89 PolarHBondContact O-N 3.07Å; M86-R89 PolarHBondContact O-N 3.18Å; V87-R89 PolarHBondContact O-N 2.69Å; R89-S93 WeakPolarHBondContact O-CB 3.34Å; R89-S93 PolarHBondContact O-N 2.89Å; R89-S93 VanDerWaalsContact O-N 3.15Å
90	V	86.3	Confident	83.6	Confident	62 Å²	62	87.9 Å²	87.9	38%	0.376	45%	0.447	S	S	.	.	H	α-helix	trans	-65.8	-47.9	175.1	170.7	0	0	0	0	110.1	M86 V87 R88 D92 S93 F96	M86-V90 WeakPolarHBondContact O-CG2 3.31Å; M86-V90 PolarHBondContact O-N 3.35Å; V87-V90 PolarHBondContact O-N 2.83Å; R88-V90 VanDerWaalsContact C-N 3.3Å; R88-V90 PolarHBondContact O-N 2.86Å; V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 PolarHBondContact O-N 3.49Å; V90-S93 WeakPolarHBondContact O-CB 3.27Å; V90-S93 PolarHBondContact O-N 3.24Å; V90-S93 VanDerWaalsContact O-N 3.11Å; V90-S93 PolarHBondContact O-OG 3.01Å; V90-F96 HydrophobicContact CG1-CB 4.41Å; V90-F96 HydrophobicContact CG1-CD2 3.74Å; V90-F96 HydrophobicContact CG1-CE2 4.14Å; V90-F96 HydrophobicContact CG1-CG 4.02Å; V90-F96 WeakPolarHBondContact O-CB 3.41Å; V90-F96 WeakPolarHBondContact O-CG 3.34Å
91	M	87	Confident	85.1	Confident	106 Å²	106	87.8 Å²	87.8	52%	0.522	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-35.2	-179.9	-70.6	-175.7	71.1	0	0	113.4	V87 R88 S93 F96	V87-M91 HydrophobicContact CG1-CG 4.33Å; V87-M91 HydrophobicContact CG1-SD 3.97Å; V87-M91 WeakPolarHBondContact O-CG 3.25Å; V87-M91 PolarHBondContact O-N 3.18Å; R88-M91 PolarHBondContact O-N 3.24Å; M91-S93 VanDerWaalsContact C-N 3.3Å; M91-F96 HydrophobicContact CB-CE1 4.42Å; M91-F96 HydrophobicContact CG-CE1 3.98Å
92	D	84.7	Confident	86.5	Confident	109 Å²	109	87.2 Å²	87.2	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-79.8	-13.4	177.3	-72.9	-27.6	0	0	0	113	R88 V90 C94	R88-D92 WeakPolarHBondContact O-CB 3.37Å; R88-D92 PolarHBondContact O-N 2.99Å; V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 PolarHBondContact O-N 3.49Å; D92-C94 PolarHBondContact O-N 3.03Å
93	S	89.2	Confident	87.9	Confident	37 Å²	37	89.2 Å²	89.2	26%	0.259	45%	0.448	S	S	.	.	S	Bend	trans	-67.5	132.5	-179.7	77.2	0	0	0	0	111.5	R89 V90 M91 P95 F96 K97	R89-S93 WeakPolarHBondContact O-CB 3.34Å; R89-S93 PolarHBondContact O-N 2.89Å; R89-S93 VanDerWaalsContact O-N 3.15Å; V90-S93 WeakPolarHBondContact O-CB 3.27Å; V90-S93 PolarHBondContact O-N 3.24Å; V90-S93 VanDerWaalsContact O-N 3.11Å; V90-S93 PolarHBondContact O-OG 3.01Å; M91-S93 VanDerWaalsContact C-N 3.3Å; S93-P95 VanDerWaalsContact C-CD 3.43Å; S93-F96 PolarHBondContact O-N 3.3Å; S93-F96 VanDerWaalsContact O-N 3.11Å; S93-F96 WeakPolarHBondContact OG-CB 3.32Å; S93-F96 PolarHBondContact OG-N 3.05Å; S93-K97 PolarHBondContact O-N 2.74Å
94	C	92.4	Very high	88.8	Confident	38 Å²	38	84.7 Å²	84.7	26%	0.257	44%	0.435	S	S	.	.	H	α-helix	trans	-51.7	-42.9	174.2	-58.8	0	0	0	0	114.7	D92 F96 K97 A98 C163	D92-C94 PolarHBondContact O-N 3.03Å; C94-F96 VanDerWaalsContact C-N 3.32Å; C94-F96 PolarHBondContact O-N 3.45Å; C94-K97 PolarHBondContact O-N 3.14Å; C94-A98 VanDerWaalsContact O-CB 3.27Å; C94-A98 WeakPolarHBondContact O-CB 3.48Å; C94-A98 PolarHBondContact O-N 3.48Å; C94-C163 WeakPolarHBondContact CA-SG 3.41Å; C94-C163 HydrophobicContact CB-CB 3.72Å; C94-C163 WeakPolarHBondContact CB-SG 3.48Å; C94-C163 WeakPolarHBondContact SG-CB 3.38Å; C94-C163 CovalentContact SG-SG 2.04Å; C94-C163 PolarHBondContact SG-SG 2.97Å
95	P	94.5	Very high	89.8	Confident	90 Å²	90	80.6 Å²	80.6	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-63.7	-38.2	177.9	24.5	-34.8	0	0	0	112.2	S93 A98 L99	S93-P95 VanDerWaalsContact C-CD 3.43Å; P95-A98 PolarHBondContact O-N 3.02Å; P95-L99 WeakPolarHBondContact O-CB 3.5Å; P95-L99 VanDerWaalsContact O-CG 3.24Å; P95-L99 WeakPolarHBondContact O-CG 3.34Å; P95-L99 PolarHBondContact O-N 2.93Å
96	F	93.7	Very high	91	Very high	76 Å²	76	82.1 Å²	82.1	33%	0.333	42%	0.423	S	S	.	.	H	α-helix	trans	-68.8	-44.9	178.1	-174.6	-96.1	0	0	0	111.9	V90 M91 S93 C94 A98 L99 L100	V90-F96 HydrophobicContact CG1-CB 4.41Å; V90-F96 HydrophobicContact CG1-CD2 3.74Å; V90-F96 HydrophobicContact CG1-CE2 4.14Å; V90-F96 HydrophobicContact CG1-CG 4.02Å; V90-F96 WeakPolarHBondContact O-CB 3.41Å; V90-F96 WeakPolarHBondContact O-CG 3.34Å; M91-F96 HydrophobicContact CB-CE1 4.42Å; M91-F96 HydrophobicContact CG-CE1 3.98Å; S93-F96 PolarHBondContact O-N 3.3Å; S93-F96 VanDerWaalsContact O-N 3.11Å; S93-F96 WeakPolarHBondContact OG-CB 3.32Å; S93-F96 PolarHBondContact OG-N 3.05Å; C94-F96 VanDerWaalsContact C-N 3.32Å; C94-F96 PolarHBondContact O-N 3.45Å; F96-A98 VanDerWaalsContact C-N 3.3Å; F96-A98 PolarHBondContact O-N 3.3Å; F96-L99 PolarHBondContact O-N 3.09Å; F96-L100 WeakPolarHBondContact O-CB 3.38Å; F96-L100 PolarHBondContact O-N 2.95Å
97	K	93.7	Very high	91.9	Very high	63 Å²	63	79 Å²	79	27%	0.274	41%	0.411	S	S	.	.	H	α-helix	trans	-56.9	-44.8	173.8	-70.2	-175.5	-178.9	177.4	0	111.4	S93 C94 L100 S101 E166	S93-K97 PolarHBondContact O-N 2.74Å; C94-K97 PolarHBondContact O-N 3.14Å; K97-L100 PolarHBondContact O-N 3.1Å; K97-S101 WeakPolarHBondContact O-CB 3.27Å; K97-S101 PolarHBondContact O-N 3.42Å; K97-E166 IonicContact NZ-OE2 2.99Å
98	A	95.2	Very high	92.5	Very high	14 Å²	14	80.5 Å²	80.5	12%	0.116	42%	0.415	C	S	.	.	H	α-helix	trans	-64.1	-42.1	177.5	0	0	0	0	0	112.2	C94 P95 F96 S101 C102 T156	C94-A98 VanDerWaalsContact O-CB 3.27Å; C94-A98 WeakPolarHBondContact O-CB 3.48Å; C94-A98 PolarHBondContact O-N 3.48Å; P95-A98 PolarHBondContact O-N 3.02Å; F96-A98 VanDerWaalsContact C-N 3.3Å; F96-A98 PolarHBondContact O-N 3.3Å; A98-S101 PolarHBondContact O-N 3.38Å; A98-C102 VanDerWaalsContact O-CB 3.23Å; A98-C102 WeakPolarHBondContact O-CB 3.31Å; A98-C102 PolarHBondContact O-N 3.4Å; A98-T156 HydrophobicContact CB-CG2 4.2Å
99	L	96.7	Very high	93.3	Very high	117 Å²	117	73.4 Å²	73.4	61%	0.613	39%	0.389	S	S	*	.	H	α-helix	trans	-64.9	-42.9	176	-76.8	171	0	0	0	112.5	P95 F96 S101 C102 F103	P95-L99 WeakPolarHBondContact O-CB 3.5Å; P95-L99 VanDerWaalsContact O-CG 3.24Å; P95-L99 WeakPolarHBondContact O-CG 3.34Å; P95-L99 PolarHBondContact O-N 2.93Å; F96-L99 PolarHBondContact O-N 3.09Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-C102 VanDerWaalsContact O-CB 3.31Å; L99-C102 WeakPolarHBondContact O-CB 3.49Å; L99-C102 PolarHBondContact O-N 3.5Å; L99-F103 PolarHBondContact O-N 3.04Å
100	L	95.6	Very high	93.9	Very high	109 Å²	109	65 Å²	65	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-63.2	-43.7	176.9	-175.8	63	0	0	0	110.8	F96 K97 C102 F103 G104	F96-L100 WeakPolarHBondContact O-CB 3.38Å; F96-L100 PolarHBondContact O-N 2.95Å; K97-L100 PolarHBondContact O-N 3.1Å; L100-C102 VanDerWaalsContact C-N 3.34Å; L100-F103 PolarHBondContact O-N 3.05Å; L100-G104 PolarHBondContact O-N 2.9Å
101	S	95.5	Very high	94.3	Very high	38 Å²	38	66 Å²	66	27%	0.266	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-34.5	175.1	-170.2	0	0	0	0	112.7	K97 A98 L99 G105 G155	K97-S101 WeakPolarHBondContact O-CB 3.27Å; K97-S101 PolarHBondContact O-N 3.42Å; A98-S101 PolarHBondContact O-N 3.38Å; L99-S101 VanDerWaalsContact C-N 3.34Å; S101-G105 PolarHBondContact O-N 3.36Å; S101-G155 VanDerWaalsContact OG-C 3.26Å; S101-G155 WeakPolarHBondContact OG-CA 3.33Å; S101-G155 PolarHBondContact OG-O 2.74Å; S101-G155 VanDerWaalsContact OG-O 3.07Å
102	C	96.7	Very high	94.6	Very high	41 Å²	41	66.1 Å²	66.1	28%	0.277	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-49.4	173.4	-177.1	0	0	0	0	110.4	A98 L99 L100 G105 F106 A152 T156	A98-C102 VanDerWaalsContact O-CB 3.23Å; A98-C102 WeakPolarHBondContact O-CB 3.31Å; A98-C102 PolarHBondContact O-N 3.4Å; L99-C102 VanDerWaalsContact O-CB 3.31Å; L99-C102 WeakPolarHBondContact O-CB 3.49Å; L99-C102 PolarHBondContact O-N 3.5Å; L100-C102 VanDerWaalsContact C-N 3.34Å; C102-G105 PolarHBondContact O-N 3.11Å; C102-F106 WeakPolarHBondContact O-CB 3.33Å; C102-F106 PolarHBondContact O-N 3.39Å; C102-A152 WeakPolarHBondContact O-CB 3.38Å; C102-T156 WeakPolarHBondContact CB-OG1 3.35Å
103	F	97.5	Very high	94.9	Very high	140 Å²	140	60.9 Å²	60.9	61%	0.614	33%	0.334	S	S	*	.	H	α-helix	trans	-63.5	-46.2	178	-176.8	-100.1	0	0	0	111.8	L99 L100 G105 F106 V107	L99-F103 PolarHBondContact O-N 3.04Å; L100-F103 PolarHBondContact O-N 3.05Å; F103-G105 VanDerWaalsContact C-N 3.35Å; F103-G105 PolarHBondContact O-N 3.15Å; F103-F106 WeakPolarHBondContact O-CB 3.31Å; F103-F106 PolarHBondContact O-N 2.93Å; F103-V107 HydrophobicContact CD1-CG2 4.34Å; F103-V107 HydrophobicContact CE1-CG2 3.93Å; F103-V107 HydrophobicContact CE2-CG2 4.31Å; F103-V107 HydrophobicContact CZ-CG2 3.91Å; F103-V107 WeakPolarHBondContact O-CG2 3.42Å; F103-V107 PolarHBondContact O-N 2.66Å
104	G	97.2	Very high	95	Very high	31 Å²	31	64 Å²	64	32%	0.32	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-45.2	175.3	0	0	0	0	0	112.4	L100 V107 L108	L100-G104 PolarHBondContact O-N 2.9Å; G104-V107 PolarHBondContact O-N 3.45Å; G104-L108 WeakPolarHBondContact O-CB 3.33Å; G104-L108 WeakPolarHBondContact O-CG 3.47Å; G104-L108 PolarHBondContact O-N 3.37Å
105	G	96.2	Very high	94.9	Very high	9 Å²	9	68.7 Å²	68.7	9%	0.093	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-39.5	174.7	0	0	0	0	0	112.8	S101 C102 F103 G109 F151	S101-G105 PolarHBondContact O-N 3.36Å; C102-G105 PolarHBondContact O-N 3.11Å; F103-G105 VanDerWaalsContact C-N 3.35Å; F103-G105 PolarHBondContact O-N 3.15Å; G105-G109 PolarHBondContact O-N 2.8Å; G105-F151 WeakPolarHBondContact O-CB 3.49Å
106	F	97.5	Very high	94.6	Very high	92 Å²	92	65.6 Å²	65.6	40%	0.404	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-46.3	177.2	-172.4	-90.1	0	0	0	111.9	C102 F103 G110 A148 A152	C102-F106 WeakPolarHBondContact O-CB 3.33Å; C102-F106 PolarHBondContact O-N 3.39Å; F103-F106 WeakPolarHBondContact O-CB 3.31Å; F103-F106 PolarHBondContact O-N 2.93Å; F106-G110 PolarHBondContact O-N 3.45Å; F106-A148 HydrophobicContact CD1-CB 4.4Å; F106-A148 HydrophobicContact CD2-CB 3.65Å; F106-A148 HydrophobicContact CE1-CB 4.42Å; F106-A148 HydrophobicContact CE2-CB 3.68Å; F106-A148 HydrophobicContact CG-CB 4.03Å; F106-A148 HydrophobicContact CZ-CB 4.08Å; F106-A148 WeakPolarHBondContact O-CB 3.16Å; F106-A152 HydrophobicContact CB-CB 4.06Å; F106-A152 HydrophobicContact CD2-CB 4.43Å
107	V	97.4	Very high	94.2	Very high	62 Å²	62	62.2 Å²	62.2	38%	0.376	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-49.8	178.2	173.4	0	0	0	0	110.7	F103 G104 G109 G110 I111	F103-V107 HydrophobicContact CD1-CG2 4.34Å; F103-V107 HydrophobicContact CE1-CG2 3.93Å; F103-V107 HydrophobicContact CE2-CG2 4.31Å; F103-V107 HydrophobicContact CZ-CG2 3.91Å; F103-V107 WeakPolarHBondContact O-CG2 3.42Å; F103-V107 PolarHBondContact O-N 2.66Å; G104-V107 PolarHBondContact O-N 3.45Å; V107-G109 PolarHBondContact O-N 3.47Å; V107-G110 PolarHBondContact O-N 2.9Å; V107-I111 HydrophobicContact CG1-CD1 3.96Å; V107-I111 WeakPolarHBondContact O-CG1 3.07Å; V107-I111 PolarHBondContact O-N 2.89Å
108	L	96.2	Very high	93.7	Very high	115 Å²	115	62.8 Å²	62.8	60%	0.602	34%	0.342	S	S	*	.	H	α-helix	trans	-62.2	-43.3	178.8	-71.8	176.2	0	0	0	112.1	G104 G110 I111 F112	G104-L108 WeakPolarHBondContact O-CB 3.33Å; G104-L108 WeakPolarHBondContact O-CG 3.47Å; G104-L108 PolarHBondContact O-N 3.37Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.23Å; L108-I111 PolarHBondContact O-N 3.44Å; L108-F112 VanDerWaalsContact O-CB 3.25Å; L108-F112 WeakPolarHBondContact O-CB 3.48Å; L108-F112 PolarHBondContact O-N 3.45Å
109	G	94.7	Very high	93.1	Very high	0 Å²	0	67 Å²	67	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-32.3	177.5	0	0	0	0	0	113.1	G105 V107 G113 H147	G105-G109 PolarHBondContact O-N 2.8Å; V107-G109 PolarHBondContact O-N 3.47Å; G109-G113 PolarHBondContact O-N 3.08Å; G109-H147 VanDerWaalsContact O-CB 3.3Å; G109-H147 WeakPolarHBondContact O-CB 3.08Å
110	G	94.2	Very high	91.8	Very high	15 Å²	15	65.4 Å²	65.4	16%	0.155	36%	0.358	C	S	.	.	H	α-helix	trans	-67.5	-45.8	173.2	0	0	0	0	0	112.2	F106 V107 L108 G113 L114	F106-G110 PolarHBondContact O-N 3.45Å; V107-G110 PolarHBondContact O-N 2.9Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.23Å; G110-G113 PolarHBondContact O-N 2.85Å; G110-L114 WeakPolarHBondContact O-CG 3.46Å; G110-L114 PolarHBondContact O-N 3.19Å
111	I	95.4	Very high	90.1	Very high	84 Å²	84	64.3 Å²	64.3	43%	0.431	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-48.9	175	-67.2	168.7	0	0	0	110.2	V107 L108 G113 L114 F115	V107-I111 HydrophobicContact CG1-CD1 3.96Å; V107-I111 WeakPolarHBondContact O-CG1 3.07Å; V107-I111 PolarHBondContact O-N 2.89Å; L108-I111 PolarHBondContact O-N 3.44Å; I111-G113 VanDerWaalsContact C-N 3.31Å; I111-G113 PolarHBondContact O-N 3.33Å; I111-L114 PolarHBondContact O-N 3.01Å; I111-F115 HydrophobicContact CG2-CD2 3.64Å; I111-F115 HydrophobicContact CG2-CE2 3.38Å; I111-F115 WeakPolarHBondContact O-CD2 3.3Å; I111-F115 PolarHBondContact O-N 2.9Å
112	F	93.1	Very high	88.1	Confident	108 Å²	108	69.7 Å²	69.7	47%	0.474	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-40.8	177	179.7	-100.5	0	0	0	112.1	L108 F115 S116 F151	L108-F112 VanDerWaalsContact O-CB 3.25Å; L108-F112 WeakPolarHBondContact O-CB 3.48Å; L108-F112 PolarHBondContact O-N 3.45Å; F112-F115 PolarHBondContact O-N 3.49Å; F112-S116 WeakPolarHBondContact O-CB 3.4Å; F112-S116 PolarHBondContact O-N 3Å; F112-F151 AromaticContact CD1-CE2 3.79Å; F112-F151 HydrophobicContact CD1-CE2 3.79Å; F112-F151 HydrophobicContact CD1-CZ 4.16Å; F112-F151 HydrophobicContact CE1-CE2 4.27Å; F112-F151 HydrophobicContact CG-CE2 4.41Å; F112-F151 HydrophobicContact CG-CZ 4.49Å
113	G	90.8	Very high	86.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-69	-33.3	178.2	0	0	0	0	0	113.7	G109 G110 I111 A117	G109-G113 PolarHBondContact O-N 3.08Å; G110-G113 PolarHBondContact O-N 2.85Å; I111-G113 VanDerWaalsContact C-N 3.31Å; I111-G113 PolarHBondContact O-N 3.33Å; G113-A117 VanDerWaalsContact O-CB 3.26Å; G113-A117 WeakPolarHBondContact O-CB 3.38Å; G113-A117 PolarHBondContact O-N 3.22Å
114	L	90.2	Very high	83.9	Confident	101 Å²	101	69.3 Å²	69.3	53%	0.529	39%	0.392	S	S	.	.	H	α-helix	trans	-66.6	-45.3	171.1	-75.6	169.3	0	0	0	111.2	G110 I111 A117 S118 S144	G110-L114 WeakPolarHBondContact O-CG 3.46Å; G110-L114 PolarHBondContact O-N 3.19Å; I111-L114 PolarHBondContact O-N 3.01Å; L114-A117 PolarHBondContact O-N 2.88Å; L114-S118 PolarHBondContact O-N 3.06Å; L114-S144 WeakPolarHBondContact CD2-OG 3.4Å; L114-S144 WeakPolarHBondContact CG-OG 3.44Å; L114-S144 PolarHBondContact N-OG 2.04Å
115	F	91	Very high	81.7	Confident	137 Å²	137	71.9 Å²	71.9	60%	0.601	40%	0.402	S	S	*	.	H	α-helix	trans	-62	-45.6	174.8	-76.9	-61.2	0	0	0	111.7	I111 F112 A117 S118 V119	I111-F115 HydrophobicContact CG2-CD2 3.64Å; I111-F115 HydrophobicContact CG2-CE2 3.38Å; I111-F115 WeakPolarHBondContact O-CD2 3.3Å; I111-F115 PolarHBondContact O-N 2.9Å; F112-F115 PolarHBondContact O-N 3.49Å; F115-A117 PolarHBondContact O-N 3.49Å; F115-S118 WeakPolarHBondContact O-CB 3.22Å; F115-S118 PolarHBondContact O-N 3.26Å; F115-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 PolarHBondContact O-OG 2.94Å; F115-V119 PolarHBondContact O-N 3.05Å; F115-V119 VanDerWaalsContact O-N 3.16Å
116	S	88.4	Confident	79.5	Confident	25 Å²	25	83 Å²	83	18%	0.175	44%	0.442	C	S	.	.	H	α-helix	trans	-61.3	-43.2	176.6	176.9	0	0	0	0	111.9	F112 S118 V119 D120	F112-S116 WeakPolarHBondContact O-CB 3.4Å; F112-S116 PolarHBondContact O-N 3Å; S116-S118 PolarHBondContact O-N 2.93Å; S116-V119 VanDerWaalsContact O-CG2 3.32Å; S116-V119 WeakPolarHBondContact O-CG2 3.23Å; S116-V119 PolarHBondContact O-N 3.48Å; S116-D120 PolarHBondContact O-N 2.63Å
117	A	84.6	Confident	77.3	Confident	6 Å²	6	81.5 Å²	81.5	5%	0.05	45%	0.454	C	S	.	.	H	α-helix	trans	-66.9	-24.8	176.6	0	0	0	0	0	113.2	G113 L114 F115 M140	G113-A117 VanDerWaalsContact O-CB 3.26Å; G113-A117 WeakPolarHBondContact O-CB 3.38Å; G113-A117 PolarHBondContact O-N 3.22Å; L114-A117 PolarHBondContact O-N 2.88Å; F115-A117 PolarHBondContact O-N 3.49Å; A117-M140 HydrophobicContact CB-CB 4.32Å; A117-M140 HydrophobicContact CB-CG 3.99Å
118	S	83.9	Confident	75.1	Confident	75 Å²	75	83.6 Å²	83.6	52%	0.524	48%	0.477	S	S	.	.	H	α-helix	trans	-76.3	-31.7	175.2	76.9	0	0	0	0	113.5	L114 F115 S116	L114-S118 PolarHBondContact O-N 3.06Å; F115-S118 WeakPolarHBondContact O-CB 3.22Å; F115-S118 PolarHBondContact O-N 3.26Å; F115-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 PolarHBondContact O-OG 2.94Å; S116-S118 PolarHBondContact O-N 2.93Å
119	V	81.9	Confident	73.2	Confident	103 Å²	103	85.6 Å²	85.6	62%	0.624	48%	0.483	S	S	*	.	H	α-helix	trans	-90.9	-28.2	-179.1	-60.5	0	0	0	0	113.1	F115 S116 P121	F115-V119 PolarHBondContact O-N 3.05Å; F115-V119 VanDerWaalsContact O-N 3.16Å; S116-V119 VanDerWaalsContact O-CG2 3.32Å; S116-V119 WeakPolarHBondContact O-CG2 3.23Å; S116-V119 PolarHBondContact O-N 3.48Å; V119-P121 WeakPolarHBondContact O-CD 3.31Å
120	D	69.1	Low	71.5	Confident	82 Å²	82	91.6 Å²	91.6	44%	0.439	52%	0.52	S	S	.	.			trans	-111.5	67.8	-178.5	-67.8	-56.6	0	0	0	112.7	S116 M122 R143	S116-D120 PolarHBondContact O-N 2.63Å; D120-M122 PolarHBondContact O-N 3.37Å; D120-R143 PolarHBondContact O-NH1 2.72Å
121	P	61.3	Low	70	Confident	86 Å²	86	94.4 Å²	94.4	56%	0.558	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	3	175.4	30	-34.4	0	0	0	113.6	V119	V119-P121 WeakPolarHBondContact O-CD 3.31Å
122	M	53.1	Low	68.9	Low	151 Å²	151	93.9 Å²	93.9	74%	0.744	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	2.5	-155.8	-74	-107.4	68.3	0	0	117.4	D120	D120-M122 PolarHBondContact O-N 3.37Å
123	S	54.4	Low	68.1	Low	95 Å²	95	94.1 Å²	94.1	66%	0.664	55%	0.547	S	S	*	.	S	Bend	trans	-102.6	-0.7	-169.4	-41.2	0	0	0	0	117.2
124	T	51	Low	67.6	Low	78 Å²	78	104 Å²	104	48%	0.479	58%	0.584	S	S	.	*	S	Bend	trans	-128.9	-2.9	-177.7	51.2	0	0	0	0	114.6	Y126 E139	T124-Y126 VanDerWaalsContact C-N 3.28Å; T124-Y126 PolarHBondContact O-N 3.22Å; T124-E139 WeakPolarHBondContact CB-OE1 3.31Å; T124-E139 WeakPolarHBondContact CB-OE2 3.18Å; T124-E139 VanDerWaalsContact CG2-CD 3.46Å; T124-E139 HydrophobicContact CG2-CG 4.43Å; T124-E139 WeakPolarHBondContact CG2-OE1 3.39Å; T124-E139 PolarHBondContact OG1-OE1 3.47Å; T124-E139 PolarHBondContact OG1-OE2 2.97Å
125	V	50.6	Low	67.2	Low	85 Å²	85	104 Å²	104	52%	0.515	58%	0.582	S	S	.	*			trans	-94.3	52.1	179.7	-165.2	0	0	0	0	110.4
126	Y	51.2	Low	66.7	Low	242 Å²	242	99.8 Å²	99.8	95%	0.949	57%	0.567	S	S	*	*			trans	-95.3	80.8	161.9	-117.2	-85.3	0	0	0	107.2	T124	T124-Y126 VanDerWaalsContact C-N 3.28Å; T124-Y126 PolarHBondContact O-N 3.22Å
127	G	51	Low	66.4	Low	62 Å²	62	104.5 Å²	104.5	64%	0.639	59%	0.588	S	S	*	*	S	Bend	trans	129.8	83.5	168.7	0	0	0	0	0	116.7	E129	G127-E129 PolarHBondContact O-N 2.77Å
128	A	50.5	Low	66.5	Low	105 Å²	105	112.1 Å²	112.1	87%	0.868	62%	0.62	S	S	*	*	S	Bend	trans	64.5	25.5	132.3	0	0	0	0	0	122.5
129	E	56.5	Low	66.5	Low	157 Å²	157	111 Å²	111	73%	0.734	61%	0.606	S	S	*	*			trans	-135.5	133.2	161.9	-104	175.2	146	0	0	110.5	G127 P131	G127-E129 PolarHBondContact O-N 2.77Å; E129-P131 VanDerWaalsContact O-N 3.1Å
130	T	59	Low	66.6	Low	126 Å²	126	109 Å²	109	77%	0.773	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-51.3	119.2	170.7	47.5	0	0	0	0	107.9	T132	T130-T132 PolarHBondContact O-N 3.43Å
131	P	62.5	Low	67.5	Low	74 Å²	74	112.4 Å²	112.4	48%	0.481	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-64.8	116.8	-169	27.8	-35.7	0	0	0	107.9	E129 T133 V136	E129-P131 VanDerWaalsContact O-N 3.1Å; P131-T133 PolarHBondContact O-N 2.92Å; P131-V136 HydrophobicContact CB-CG2 3.62Å; P131-V136 HydrophobicContact CG-CG2 4.11Å
132	T	73.2	Confident	68.9	Low	74 Å²	74	111.9 Å²	111.9	45%	0.454	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-60.4	137.1	176.7	-63.9	0	0	0	0	107	T130 R134 Q135 V136	T130-T132 PolarHBondContact O-N 3.43Å; T132-R134 HydrophobicContact CG2-CB 4.09Å; T132-R134 CarbonylContact O-C 3.59Å; T132-R134 PolarHBondContact O-N 3.43Å; T132-Q135 VanDerWaalsContact N-OE1 3.1Å; T132-Q135 WeakPolarHBondContact O-CA 3.3Å; T132-Q135 WeakPolarHBondContact O-CB 3.29Å; T132-Q135 PolarHBondContact O-N 2.88Å; T132-V136 PolarHBondContact O-N 3.26Å; T132-V136 VanDerWaalsContact O-N 3.11Å
133	T	76.1	Confident	70.5	Confident	113 Å²	113	107 Å²	107	69%	0.693	57%	0.57	S	S	*	*	H	α-helix	trans	-49.7	-34.8	-179.6	53.8	0	0	0	0	112.3	P131 V136 M137	P131-T133 PolarHBondContact O-N 2.92Å; T133-V136 PolarHBondContact O-N 3.39Å; T133-M137 WeakPolarHBondContact O-CB 3.49Å; T133-M137 WeakPolarHBondContact O-CG 3.42Å; T133-M137 PolarHBondContact O-N 3.22Å
134	R	80.7	Confident	72.3	Confident	207 Å²	207	102.9 Å²	102.9	78%	0.781	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-40.1	172.7	-68.2	-174.8	171	-179.3	-2	114.2	T132 K138	T132-R134 HydrophobicContact CG2-CB 4.09Å; T132-R134 CarbonylContact O-C 3.59Å; T132-R134 PolarHBondContact O-N 3.43Å; R134-K138 VanDerWaalsContact O-CB 3.27Å; R134-K138 WeakPolarHBondContact O-CB 3.48Å; R134-K138 PolarHBondContact O-N 3.11Å
135	Q	81.3	Confident	74.4	Confident	102 Å²	102	101.5 Å²	101.5	48%	0.477	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-45	177	-70.8	168.9	-24	0	0	110.3	T132 M137 K138 E139	T132-Q135 VanDerWaalsContact N-OE1 3.1Å; T132-Q135 WeakPolarHBondContact O-CA 3.3Å; T132-Q135 WeakPolarHBondContact O-CB 3.29Å; T132-Q135 PolarHBondContact O-N 2.88Å; Q135-M137 PolarHBondContact O-N 2.9Å; Q135-K138 PolarHBondContact O-N 2.99Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 3.43Å
136	V	80.7	Confident	76.4	Confident	48 Å²	48	100.6 Å²	100.6	29%	0.291	53%	0.529	S	S	.	.	H	α-helix	trans	-58.7	-49.7	174.8	-177.8	0	0	0	0	110.8	P131 T132 T133 K138 E139 M140	P131-V136 HydrophobicContact CB-CG2 3.62Å; P131-V136 HydrophobicContact CG-CG2 4.11Å; T132-V136 PolarHBondContact O-N 3.26Å; T132-V136 VanDerWaalsContact O-N 3.11Å; T133-V136 PolarHBondContact O-N 3.39Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 3.41Å; V136-E139 PolarHBondContact O-N 3.46Å; V136-M140 HydrophobicContact CG1-CE 3.69Å; V136-M140 HydrophobicContact CG1-CG 4.23Å; V136-M140 HydrophobicContact CG1-SD 3.91Å; V136-M140 WeakPolarHBondContact O-CB 3.24Å; V136-M140 VanDerWaalsContact O-CG 3.28Å; V136-M140 WeakPolarHBondContact O-CG 3.35Å; V136-M140 PolarHBondContact O-N 3.44Å
137	M	83	Confident	78.5	Confident	124 Å²	124	91.7 Å²	91.7	61%	0.611	50%	0.496	S	S	*	.	H	α-helix	trans	-61.1	-40.2	178.7	-73.3	-63.1	-65.3	0	0	112.2	T133 Q135 E139 Y141	T133-M137 WeakPolarHBondContact O-CB 3.49Å; T133-M137 WeakPolarHBondContact O-CG 3.42Å; T133-M137 PolarHBondContact O-N 3.22Å; Q135-M137 PolarHBondContact O-N 2.9Å; M137-E139 VanDerWaalsContact C-N 3.35Å; M137-Y141 VanDerWaalsContact O-CB 3.26Å; M137-Y141 WeakPolarHBondContact O-CB 3.45Å; M137-Y141 PolarHBondContact O-N 2.91Å
138	K	85.2	Confident	80.7	Confident	165 Å²	165	88.8 Å²	88.8	72%	0.717	47%	0.466	S	S	*	.	H	α-helix	trans	-65.2	-39.9	177	-171.5	179.5	-176.3	-177.5	0	111.6	R134 Q135 V136 S142	R134-K138 VanDerWaalsContact O-CB 3.27Å; R134-K138 WeakPolarHBondContact O-CB 3.48Å; R134-K138 PolarHBondContact O-N 3.11Å; Q135-K138 PolarHBondContact O-N 2.99Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 3.41Å; K138-S142 WeakPolarHBondContact O-CB 3.48Å; K138-S142 PolarHBondContact O-N 3.44Å
139	E	83.7	Confident	82.9	Confident	51 Å²	51	89.7 Å²	89.7	24%	0.238	45%	0.45	C	S	.	.	H	α-helix	trans	-69.3	-47.2	177.6	-171.9	-178.8	164.7	0	0	112.1	T124 Q135 V136 M137 Y141 S142 R143	T124-E139 WeakPolarHBondContact CB-OE1 3.31Å; T124-E139 WeakPolarHBondContact CB-OE2 3.18Å; T124-E139 VanDerWaalsContact CG2-CD 3.46Å; T124-E139 HydrophobicContact CG2-CG 4.43Å; T124-E139 WeakPolarHBondContact CG2-OE1 3.39Å; T124-E139 PolarHBondContact OG1-OE1 3.47Å; T124-E139 PolarHBondContact OG1-OE2 2.97Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 3.43Å; V136-E139 PolarHBondContact O-N 3.46Å; M137-E139 VanDerWaalsContact C-N 3.35Å; E139-Y141 VanDerWaalsContact C-N 3.28Å; E139-Y141 PolarHBondContact O-N 3.19Å; E139-S142 PolarHBondContact O-N 2.97Å; E139-S142 VanDerWaalsContact O-N 3.13Å; E139-R143 WeakPolarHBondContact O-CG 3.23Å; E139-R143 PolarHBondContact O-N 3.26Å; E139-R143 IonicContact OE1-CZ 3.16Å; E139-R143 IonicContact OE1-NE 3.16Å; E139-R143 PolarHBondContact OE1-NE 3.01Å; E139-R143 VanDerWaalsContact OE1-NE 3.16Å; E139-R143 IonicContact OE1-NH2 2.63Å; E139-R143 PolarHBondContact OE1-NH2 3.46Å
140	M	84.6	Confident	84.7	Confident	61 Å²	61	85.1 Å²	85.1	30%	0.3	44%	0.435	S	S	.	.	H	α-helix	trans	-55.3	-45.8	174.3	-74	-179.3	166.4	0	0	110.9	A117 V136 R143 S144	A117-M140 HydrophobicContact CB-CB 4.32Å; A117-M140 HydrophobicContact CB-CG 3.99Å; V136-M140 HydrophobicContact CG1-CE 3.69Å; V136-M140 HydrophobicContact CG1-CG 4.23Å; V136-M140 HydrophobicContact CG1-SD 3.91Å; V136-M140 WeakPolarHBondContact O-CB 3.24Å; V136-M140 VanDerWaalsContact O-CG 3.28Å; V136-M140 WeakPolarHBondContact O-CG 3.35Å; V136-M140 PolarHBondContact O-N 3.44Å; M140-R143 PolarHBondContact O-N 2.86Å; M140-S144 VanDerWaalsContact O-CB 3.28Å; M140-S144 WeakPolarHBondContact O-CB 3.37Å; M140-S144 PolarHBondContact O-N 3.37Å; M140-S144 PolarHBondContact O-OG 3.01Å
141	Y	89	Confident	86.5	Confident	155 Å²	155	83 Å²	83	61%	0.608	42%	0.416	S	S	*	.	H	α-helix	trans	-62.4	-45.7	176.2	-178.7	-99.1	0	0	0	111.9	M137 E139 R143 S144 L145	M137-Y141 VanDerWaalsContact O-CB 3.26Å; M137-Y141 WeakPolarHBondContact O-CB 3.45Å; M137-Y141 PolarHBondContact O-N 2.91Å; E139-Y141 VanDerWaalsContact C-N 3.28Å; E139-Y141 PolarHBondContact O-N 3.19Å; Y141-R143 PolarHBondContact O-N 3.37Å; Y141-S144 PolarHBondContact O-N 2.8Å; Y141-L145 HydrophobicContact CE1-CD1 4.2Å; Y141-L145 VanDerWaalsContact O-CB 3.22Å; Y141-L145 WeakPolarHBondContact O-CB 3.27Å; Y141-L145 PolarHBondContact O-N 3.26Å
142	S	90.1	Very high	88.1	Confident	75 Å²	75	79.9 Å²	79.9	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-43.9	178.7	-174.3	0	0	0	0	112.3	K138 E139 S146	K138-S142 WeakPolarHBondContact O-CB 3.48Å; K138-S142 PolarHBondContact O-N 3.44Å; E139-S142 PolarHBondContact O-N 2.97Å; E139-S142 VanDerWaalsContact O-N 3.13Å; S142-S146 WeakPolarHBondContact O-CB 3.24Å; S142-S146 PolarHBondContact O-N 2.82Å
143	R	86.7	Confident	89.2	Confident	47 Å²	47	82 Å²	82	18%	0.177	40%	0.402	C	S	.	.	H	α-helix	trans	-65.7	-47.7	176.4	-69.3	-176	-173.7	-171.3	3.3	111.2	D120 E139 M140 Y141 L145 S146 H147	D120-R143 PolarHBondContact O-NH1 2.72Å; E139-R143 WeakPolarHBondContact O-CG 3.23Å; E139-R143 PolarHBondContact O-N 3.26Å; E139-R143 IonicContact OE1-CZ 3.16Å; E139-R143 IonicContact OE1-NE 3.16Å; E139-R143 PolarHBondContact OE1-NE 3.01Å; E139-R143 VanDerWaalsContact OE1-NE 3.16Å; E139-R143 IonicContact OE1-NH2 2.63Å; E139-R143 PolarHBondContact OE1-NH2 3.46Å; M140-R143 PolarHBondContact O-N 2.86Å; Y141-R143 PolarHBondContact O-N 3.37Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.4Å; R143-S146 WeakPolarHBondContact O-CB 3.46Å; R143-S146 PolarHBondContact O-N 3.07Å; R143-S146 VanDerWaalsContact O-N 3.11Å; R143-H147 PolarHBondContact O-CD2 2.9Å; R143-H147 PolarHBondContact O-N 3.33Å
144	S	92.4	Very high	90.1	Very high	10 Å²	10	79.3 Å²	79.3	7%	0.07	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-43.6	178.7	-56.4	0	0	0	0	112	L114 M140 Y141 S146 H147 A148	L114-S144 WeakPolarHBondContact CD2-OG 3.4Å; L114-S144 WeakPolarHBondContact CG-OG 3.44Å; L114-S144 PolarHBondContact N-OG 2.04Å; M140-S144 VanDerWaalsContact O-CB 3.28Å; M140-S144 WeakPolarHBondContact O-CB 3.37Å; M140-S144 PolarHBondContact O-N 3.37Å; M140-S144 PolarHBondContact O-OG 3.01Å; Y141-S144 PolarHBondContact O-N 2.8Å; S144-S146 VanDerWaalsContact C-N 3.35Å; S144-S146 PolarHBondContact O-N 2.93Å; S144-H147 PolarHBondContact O-N 3.44Å; S144-A148 VanDerWaalsContact O-CB 3.28Å; S144-A148 WeakPolarHBondContact O-CB 3.25Å; S144-A148 PolarHBondContact O-N 2.99Å
145	L	94.4	Very high	90.8	Very high	48 Å²	48	70 Å²	70	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-38.2	176.3	-167.9	101.7	0	0	0	112	Y141 R143 K149	Y141-L145 HydrophobicContact CE1-CD1 4.2Å; Y141-L145 VanDerWaalsContact O-CB 3.22Å; Y141-L145 WeakPolarHBondContact O-CB 3.27Å; Y141-L145 PolarHBondContact O-N 3.26Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.4Å; L145-K149 HydrophobicContact CD2-CD 4.41Å; L145-K149 WeakPolarHBondContact O-CB 3.03Å; L145-K149 VanDerWaalsContact O-CG 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.43Å; L145-K149 PolarHBondContact O-N 2.85Å
146	S	93.5	Very high	91.5	Very high	67 Å²	67	67.4 Å²	67.4	47%	0.469	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-46.7	176.5	-171	0	0	0	0	111.6	S142 R143 S144 K149 S150	S142-S146 WeakPolarHBondContact O-CB 3.24Å; S142-S146 PolarHBondContact O-N 2.82Å; R143-S146 WeakPolarHBondContact O-CB 3.46Å; R143-S146 PolarHBondContact O-N 3.07Å; R143-S146 VanDerWaalsContact O-N 3.11Å; S144-S146 VanDerWaalsContact C-N 3.35Å; S144-S146 PolarHBondContact O-N 2.93Å; S146-K149 PolarHBondContact O-N 3.01Å; S146-S150 PolarHBondContact O-N 3.02Å; S146-S150 VanDerWaalsContact O-N 3.08Å; S146-S150 PolarHBondContact O-OG 3.45Å
147	H	94.3	Very high	92.2	Very high	55 Å²	55	68.5 Å²	68.5	26%	0.255	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-46.9	175	-69.4	-65.6	0	0	0	111.5	G109 R143 S144 K149 S150 F151	G109-H147 VanDerWaalsContact O-CB 3.3Å; G109-H147 WeakPolarHBondContact O-CB 3.08Å; R143-H147 PolarHBondContact O-CD2 2.9Å; R143-H147 PolarHBondContact O-N 3.33Å; S144-H147 PolarHBondContact O-N 3.44Å; H147-K149 VanDerWaalsContact C-N 3.29Å; H147-K149 PolarHBondContact O-N 2.93Å; H147-S150 PolarHBondContact O-N 2.92Å; H147-S150 VanDerWaalsContact O-N 3.12Å; H147-F151 WeakPolarHBondContact O-CD2 3.28Å; H147-F151 PolarHBondContact O-N 3.29Å
148	A	96.5	Very high	92.8	Very high	1 Å²	1	65 Å²	65	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-53.1	-45.4	175.8	0	0	0	0	0	112.2	F106 S144 A152	F106-A148 HydrophobicContact CD1-CB 4.4Å; F106-A148 HydrophobicContact CD2-CB 3.65Å; F106-A148 HydrophobicContact CE1-CB 4.42Å; F106-A148 HydrophobicContact CE2-CB 3.68Å; F106-A148 HydrophobicContact CG-CB 4.03Å; F106-A148 HydrophobicContact CZ-CB 4.08Å; F106-A148 WeakPolarHBondContact O-CB 3.16Å; S144-A148 VanDerWaalsContact O-CB 3.28Å; S144-A148 WeakPolarHBondContact O-CB 3.25Å; S144-A148 PolarHBondContact O-N 2.99Å; A148-A152 WeakPolarHBondContact O-CB 3.31Å; A148-A152 PolarHBondContact O-N 3.34Å
149	K	97.1	Very high	93.3	Very high	124 Å²	124	57.9 Å²	57.9	54%	0.539	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-43.3	176.8	-74.9	173.8	179.7	179.7	0	112.9	L145 S146 H147 A152 M153	L145-K149 HydrophobicContact CD2-CD 4.41Å; L145-K149 WeakPolarHBondContact O-CB 3.03Å; L145-K149 VanDerWaalsContact O-CG 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.43Å; L145-K149 PolarHBondContact O-N 2.85Å; S146-K149 PolarHBondContact O-N 3.01Å; H147-K149 VanDerWaalsContact C-N 3.29Å; H147-K149 PolarHBondContact O-N 2.93Å; K149-A152 PolarHBondContact O-N 3.39Å; K149-M153 WeakPolarHBondContact O-CB 3.28Å; K149-M153 PolarHBondContact O-N 3Å
150	S	95.1	Very high	93.8	Very high	61 Å²	61	56.7 Å²	56.7	43%	0.427	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-46	179.2	-65.6	0	0	0	0	112.1	S146 H147 M153 I154	S146-S150 PolarHBondContact O-N 3.02Å; S146-S150 VanDerWaalsContact O-N 3.08Å; S146-S150 PolarHBondContact O-OG 3.45Å; H147-S150 PolarHBondContact O-N 2.92Å; H147-S150 VanDerWaalsContact O-N 3.12Å; S150-M153 PolarHBondContact O-N 3.32Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 2.72Å
151	F	95.5	Very high	94.3	Very high	82 Å²	82	55.3 Å²	55.3	36%	0.36	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-38.6	176.7	-82.4	-91.5	0	0	0	112.1	G105 F112 H147 M153 I154 G155	G105-F151 WeakPolarHBondContact O-CB 3.49Å; F112-F151 AromaticContact CD1-CE2 3.79Å; F112-F151 HydrophobicContact CD1-CE2 3.79Å; F112-F151 HydrophobicContact CD1-CZ 4.16Å; F112-F151 HydrophobicContact CE1-CE2 4.27Å; F112-F151 HydrophobicContact CG-CE2 4.41Å; F112-F151 HydrophobicContact CG-CZ 4.49Å; H147-F151 WeakPolarHBondContact O-CD2 3.28Å; H147-F151 PolarHBondContact O-N 3.29Å; F151-M153 VanDerWaalsContact C-N 3.35Å; F151-M153 PolarHBondContact O-N 3.05Å; F151-I154 PolarHBondContact O-N 2.93Å; F151-G155 PolarHBondContact O-N 3.39Å
152	A	96.8	Very high	94.5	Very high	7 Å²	7	50.7 Å²	50.7	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-43.4	173	0	0	0	0	0	111.9	C102 F106 A148 K149 T156	C102-A152 WeakPolarHBondContact O-CB 3.38Å; F106-A152 HydrophobicContact CB-CB 4.06Å; F106-A152 HydrophobicContact CD2-CB 4.43Å; A148-A152 WeakPolarHBondContact O-CB 3.31Å; A148-A152 PolarHBondContact O-N 3.34Å; K149-A152 PolarHBondContact O-N 3.39Å; A152-T156 WeakPolarHBondContact O-CB 3.38Å; A152-T156 PolarHBondContact O-N 2.77Å; A152-T156 PolarHBondContact O-OG1 3.26Å
153	M	96	Very high	94.6	Very high	119 Å²	119	47.3 Å²	47.3	59%	0.586	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-49.9	176	-178.9	-171	-98.7	0	0	111.2	K149 S150 F151 G155 T156 L157	K149-M153 WeakPolarHBondContact O-CB 3.28Å; K149-M153 PolarHBondContact O-N 3Å; S150-M153 PolarHBondContact O-N 3.32Å; F151-M153 VanDerWaalsContact C-N 3.35Å; F151-M153 PolarHBondContact O-N 3.05Å; M153-G155 VanDerWaalsContact C-N 3.34Å; M153-G155 PolarHBondContact O-N 3Å; M153-T156 PolarHBondContact O-N 3.44Å; M153-L157 HydrophobicContact CG-CD1 3.93Å; M153-L157 HydrophobicContact CG-CG 4.38Å; M153-L157 WeakPolarHBondContact O-CB 3.45Å; M153-L157 VanDerWaalsContact O-CG 3.3Å; M153-L157 WeakPolarHBondContact O-CG 3.29Å; M153-L157 PolarHBondContact O-N 2.91Å
154	I	94.9	Very high	94.9	Very high	56 Å²	56	47.8 Å²	47.8	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-45.7	179.7	-67.4	165.4	0	0	0	110.5	S150 F151 L157 F158 I188 F204	S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 2.72Å; F151-I154 PolarHBondContact O-N 2.93Å; I154-L157 PolarHBondContact O-N 3.5Å; I154-F158 WeakPolarHBondContact O-CB 3.41Å; I154-F158 PolarHBondContact O-N 2.86Å; I154-I188 HydrophobicContact CG1-CD1 4.35Å; I154-F204 HydrophobicContact CG2-CE1 3.93Å
155	G	95.4	Very high	94.9	Very high	12 Å²	12	48.9 Å²	48.9	12%	0.124	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-45.2	177.1	0	0	0	0	0	112.7	S101 F151 M153 L157 F158 A159	S101-G155 VanDerWaalsContact OG-C 3.26Å; S101-G155 WeakPolarHBondContact OG-CA 3.33Å; S101-G155 PolarHBondContact OG-O 2.74Å; S101-G155 VanDerWaalsContact OG-O 3.07Å; F151-G155 PolarHBondContact O-N 3.39Å; M153-G155 VanDerWaalsContact C-N 3.34Å; M153-G155 PolarHBondContact O-N 3Å; G155-L157 PolarHBondContact O-N 2.96Å; G155-F158 PolarHBondContact O-N 2.65Å; G155-A159 WeakPolarHBondContact O-CB 3.3Å; G155-A159 PolarHBondContact O-N 2.86Å
156	T	96.7	Very high	94.7	Very high	47 Å²	47	49.5 Å²	49.5	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-45.8	176.5	-55.9	0	0	0	0	111.5	A98 C102 A152 M153 G160	A98-T156 HydrophobicContact CB-CG2 4.2Å; C102-T156 WeakPolarHBondContact CB-OG1 3.35Å; A152-T156 WeakPolarHBondContact O-CB 3.38Å; A152-T156 PolarHBondContact O-N 2.77Å; A152-T156 PolarHBondContact O-OG1 3.26Å; M153-T156 PolarHBondContact O-N 3.44Å; T156-G160 WeakPolarHBondContact O-CA 3.34Å; T156-G160 PolarHBondContact O-N 2.85Å
157	L	96.2	Very high	94.4	Very high	71 Å²	71	50.5 Å²	50.5	37%	0.372	28%	0.284	S	S	.	.	H	α-helix	trans	-66.5	-41.8	179.2	-70.6	174.8	0	0	0	111.4	M153 I154 G155 T161 V184 I188	M153-L157 HydrophobicContact CG-CD1 3.93Å; M153-L157 HydrophobicContact CG-CG 4.38Å; M153-L157 WeakPolarHBondContact O-CB 3.45Å; M153-L157 VanDerWaalsContact O-CG 3.3Å; M153-L157 WeakPolarHBondContact O-CG 3.29Å; M153-L157 PolarHBondContact O-N 2.91Å; I154-L157 PolarHBondContact O-N 3.5Å; G155-L157 PolarHBondContact O-N 2.96Å; L157-T161 VanDerWaalsContact O-CB 3.31Å; L157-T161 WeakPolarHBondContact O-CB 3.49Å; L157-T161 WeakPolarHBondContact O-CG2 3.41Å; L157-T161 PolarHBondContact O-N 2.78Å; L157-T161 PolarHBondContact O-OG1 2.94Å; L157-V184 HydrophobicContact CB-CG1 3.84Å; L157-V184 HydrophobicContact CB-CG2 3.89Å; L157-V184 HydrophobicContact CD1-CG1 4.4Å; L157-I188 HydrophobicContact CD1-CG2 4.12Å
158	F	95.4	Very high	94.3	Very high	52 Å²	52	57.5 Å²	57.5	23%	0.228	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-57.1	178.1	-172.8	-92.2	0	0	0	111.3	I154 G155 G160 T161 E162 S180 S208	I154-F158 WeakPolarHBondContact O-CB 3.41Å; I154-F158 PolarHBondContact O-N 2.86Å; G155-F158 PolarHBondContact O-N 2.65Å; F158-G160 VanDerWaalsContact C-N 3.32Å; F158-G160 PolarHBondContact O-N 2.9Å; F158-T161 PolarHBondContact O-N 3.49Å; F158-T161 PolarHBondContact O-OG1 2.9Å; F158-E162 WeakPolarHBondContact O-CB 3.2Å; F158-E162 PolarHBondContact O-N 3.44Å; F158-S180 WeakPolarHBondContact CE2-OG 3.32Å; F158-S208 VanDerWaalsContact CE2-OG 3.28Å; F158-S208 WeakPolarHBondContact CE2-OG 3.46Å
159	A	94.9	Very high	94	Very high	14 Å²	14	62 Å²	62	12%	0.116	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-37.2	179.8	0	0	0	0	0	112.8	G155 C163	G155-A159 WeakPolarHBondContact O-CB 3.3Å; G155-A159 PolarHBondContact O-N 2.86Å; A159-C163 VanDerWaalsContact O-CB 3.28Å; A159-C163 WeakPolarHBondContact O-CB 3.11Å; A159-C163 PolarHBondContact O-N 3.29Å
160	G	94.7	Very high	93.5	Very high	26 Å²	26	59.3 Å²	59.3	27%	0.268	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-44.4	176.9	0	0	0	0	0	112.9	T156 F158 A164	T156-G160 WeakPolarHBondContact O-CA 3.34Å; T156-G160 PolarHBondContact O-N 2.85Å; F158-G160 VanDerWaalsContact C-N 3.32Å; F158-G160 PolarHBondContact O-N 2.9Å; G160-A164 WeakPolarHBondContact O-CB 3.25Å; G160-A164 PolarHBondContact O-N 3.35Å
161	T	94.9	Very high	93.1	Very high	32 Å²	32	62.4 Å²	62.4	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-40	178.7	52.9	0	0	0	0	112	L157 F158 A164 L165 S180 I183 V184	L157-T161 VanDerWaalsContact O-CB 3.31Å; L157-T161 WeakPolarHBondContact O-CB 3.49Å; L157-T161 WeakPolarHBondContact O-CG2 3.41Å; L157-T161 PolarHBondContact O-N 2.78Å; L157-T161 PolarHBondContact O-OG1 2.94Å; F158-T161 PolarHBondContact O-N 3.49Å; F158-T161 PolarHBondContact O-OG1 2.9Å; T161-A164 PolarHBondContact O-N 2.95Å; T161-L165 WeakPolarHBondContact O-CB 3.43Å; T161-L165 WeakPolarHBondContact O-CG 3.4Å; T161-L165 PolarHBondContact O-N 2.89Å; T161-S180 WeakPolarHBondContact OG1-CB 3.37Å; T161-I183 HydrophobicContact CG2-CG2 4.2Å; T161-V184 HydrophobicContact CG2-CG2 3.91Å; T161-V184 WeakPolarHBondContact OG1-CG2 3.48Å
162	E	93	Very high	92.7	Very high	58 Å²	58	61.8 Å²	61.8	27%	0.271	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-48.7	174.4	-173.2	-178.2	-167.3	0	0	111.2	F158 A164 L165 E166	F158-E162 WeakPolarHBondContact O-CB 3.2Å; F158-E162 PolarHBondContact O-N 3.44Å; E162-A164 VanDerWaalsContact C-N 3.33Å; E162-A164 PolarHBondContact O-N 3.49Å; E162-L165 PolarHBondContact O-N 2.86Å; E162-E166 WeakPolarHBondContact O-CB 3.4Å; E162-E166 PolarHBondContact O-N 2.82Å
163	C	91.9	Very high	92.4	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.034	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-36.5	179.1	-169.1	0	0	0	0	112.8	C94 A159 S167	C94-C163 WeakPolarHBondContact CA-SG 3.41Å; C94-C163 HydrophobicContact CB-CB 3.72Å; C94-C163 WeakPolarHBondContact CB-SG 3.48Å; C94-C163 WeakPolarHBondContact SG-CB 3.38Å; C94-C163 CovalentContact SG-SG 2.04Å; C94-C163 PolarHBondContact SG-SG 2.97Å; A159-C163 VanDerWaalsContact O-CB 3.28Å; A159-C163 WeakPolarHBondContact O-CB 3.11Å; A159-C163 PolarHBondContact O-N 3.29Å; C163-S167 VanDerWaalsContact O-CB 3.31Å; C163-S167 WeakPolarHBondContact O-CB 3.44Å; C163-S167 PolarHBondContact O-N 3.12Å; C163-S167 PolarHBondContact O-OG 3.42Å
164	A	92.7	Very high	92.1	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-65.5	-41.5	174.3	0	0	0	0	0	112	G160 T161 E162 S167 Y168	G160-A164 WeakPolarHBondContact O-CB 3.25Å; G160-A164 PolarHBondContact O-N 3.35Å; T161-A164 PolarHBondContact O-N 2.95Å; E162-A164 VanDerWaalsContact C-N 3.33Å; E162-A164 PolarHBondContact O-N 3.49Å; A164-S167 PolarHBondContact O-N 3.02Å; A164-Y168 WeakPolarHBondContact O-CB 3.14Å; A164-Y168 PolarHBondContact O-N 3.39Å
165	L	92	Very high	92	Very high	32 Å²	32	63.5 Å²	63.5	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-41.4	175.9	-75.3	171	0	0	0	112	T161 E162 Y168 R169 L179 I183	T161-L165 WeakPolarHBondContact O-CB 3.43Å; T161-L165 WeakPolarHBondContact O-CG 3.4Å; T161-L165 PolarHBondContact O-N 2.89Å; E162-L165 PolarHBondContact O-N 2.86Å; L165-Y168 PolarHBondContact O-N 2.9Å; L165-R169 WeakPolarHBondContact O-CB 3.46Å; L165-R169 PolarHBondContact O-N 3.46Å; L165-L179 HydrophobicContact CD1-CB 3.77Å; L165-I183 HydrophobicContact CD1-CD1 4.34Å
166	E	90.5	Very high	91.8	Very high	61 Å²	61	63.1 Å²	63.1	29%	0.285	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175.6	-174	176.1	-157.9	0	0	110.8	K97 E162 Y168 R169 G170	K97-E166 IonicContact NZ-OE2 2.99Å; E162-E166 WeakPolarHBondContact O-CB 3.4Å; E162-E166 PolarHBondContact O-N 2.82Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 2.68Å; E166-R169 PolarHBondContact O-N 2.64Å; E166-G170 WeakPolarHBondContact O-CA 3.38Å; E166-G170 PolarHBondContact O-N 3.3Å
167	S	88.7	Confident	91.6	Very high	88 Å²	88	61 Å²	61	62%	0.615	34%	0.338	S	S	*	.	H	α-helix	trans	-63.1	-34.3	176.8	-59.4	0	0	0	0	112.5	C163 A164	C163-S167 VanDerWaalsContact O-CB 3.31Å; C163-S167 WeakPolarHBondContact O-CB 3.44Å; C163-S167 PolarHBondContact O-N 3.12Å; C163-S167 PolarHBondContact O-OG 3.42Å; A164-S167 PolarHBondContact O-N 3.02Å
168	Y	91	Very high	91.6	Very high	202 Å²	202	59.5 Å²	59.5	79%	0.792	33%	0.332	S	S	*	.	H	α-helix	trans	-77.6	-42.1	178.7	-179.2	-105.8	0	0	0	113	A164 L165 E166	A164-Y168 WeakPolarHBondContact O-CB 3.14Å; A164-Y168 PolarHBondContact O-N 3.39Å; L165-Y168 PolarHBondContact O-N 2.9Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 2.68Å
169	R	89.8	Confident	91.6	Very high	96 Å²	96	60.7 Å²	60.7	36%	0.362	34%	0.34	S	S	.	.	H	α-helix	trans	-90	-23.3	-175.7	-66.9	-177.6	71.4	-174.1	5	113.9	L165 E166 K171 N176	L165-R169 WeakPolarHBondContact O-CB 3.46Å; L165-R169 PolarHBondContact O-N 3.46Å; E166-R169 PolarHBondContact O-N 2.64Å; R169-K171 PolarHBondContact O-N 2.81Å; R169-N176 PolarHBondContact NH1-OD1 3.5Å
170	G	87.4	Confident	91.6	Very high	67 Å²	67	60 Å²	60	69%	0.691	33%	0.334	S	S	*	.			trans	63.9	25.2	-174.4	0	0	0	0	0	113.9	E166	E166-G170 WeakPolarHBondContact O-CA 3.38Å; E166-G170 PolarHBondContact O-N 3.3Å
171	K	86.9	Confident	91.7	Very high	127 Å²	127	58.8 Å²	58.8	55%	0.552	32%	0.321	S	S	*	.			trans	-138.1	143.8	-179.9	-63.2	-171.3	179.3	-171.7	0	110.2	R169 N176	R169-K171 PolarHBondContact O-N 2.81Å; K171-N176 PolarHBondContact O-ND2 3.35Å
172	S	86.3	Confident	91.7	Very high	69 Å²	69	58.7 Å²	58.7	48%	0.483	32%	0.324	S	S	.	.			trans	-112.6	71.9	179.2	54.8	0	0	0	0	111.8	R216	S172-R216 PolarHBondContact O-NH1 3.16Å; S172-R216 PolarHBondContact O-NH2 3.33Å
173	D	90.6	Very high	91.9	Very high	69 Å²	69	60.2 Å²	60.2	37%	0.369	33%	0.333	S	S	.	.			trans	-109	163.3	-176.6	-58.5	-44.3	0	0	0	112.3	L175 N176	D173-L175 PolarHBondContact O-N 3.29Å; D173-N176 WeakPolarHBondContact O-CB 3.34Å; D173-N176 PolarHBondContact O-N 2.82Å
174	L	91.1	Very high	92.1	Very high	54 Å²	54	60.3 Å²	60.3	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-49.6	-31.7	174.2	-78	163.2	0	0	0	113.4	N176 S177 T178 D212 Y213	L174-N176 PolarHBondContact O-N 2.9Å; L174-S177 PolarHBondContact O-N 3.34Å; L174-T178 PolarHBondContact O-N 2.9Å; L174-T178 VanDerWaalsContact O-N 3.08Å; L174-T178 PolarHBondContact O-OG1 3.12Å; L174-T178 VanDerWaalsContact O-OG1 3.06Å; L174-D212 WeakPolarHBondContact CA-OD2 3.48Å; L174-D212 HydrophobicContact CD2-CB 3.84Å; L174-D212 VanDerWaalsContact CD2-OD2 3.31Å; L174-D212 WeakPolarHBondContact CD2-OD2 3.23Å; L174-Y213 HydrophobicContact CD1-CD2 4.37Å
175	L	92.1	Very high	92.2	Very high	95 Å²	95	57.6 Å²	57.6	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-30.2	178.3	-70.1	175.9	0	0	0	113.1	D173 T178 L179	D173-L175 PolarHBondContact O-N 3.29Å; L175-T178 PolarHBondContact O-N 3.45Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.34Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.28Å; L175-L179 PolarHBondContact O-N 2.96Å
176	N	91.8	Very high	92.3	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-39.8	179.2	-65.6	-11.4	0	0	0	110.9	R169 K171 D173 L174 L179 S180	R169-N176 PolarHBondContact NH1-OD1 3.5Å; K171-N176 PolarHBondContact O-ND2 3.35Å; D173-N176 WeakPolarHBondContact O-CB 3.34Å; D173-N176 PolarHBondContact O-N 2.82Å; L174-N176 PolarHBondContact O-N 2.9Å; N176-L179 PolarHBondContact O-N 3.41Å; N176-S180 VanDerWaalsContact O-CB 3.29Å; N176-S180 WeakPolarHBondContact O-CB 3.3Å; N176-S180 PolarHBondContact O-N 2.98Å; N176-S180 PolarHBondContact O-OG 3.3Å
177	S	92.4	Very high	92.5	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.028	32%	0.32	C	S	.	.	H	α-helix	trans	-68.7	-37.9	175.2	-48.2	0	0	0	0	111.6	L174 S180 G181 S208 D212	L174-S177 PolarHBondContact O-N 3.34Å; S177-S180 VanDerWaalsContact CA-OG 3.3Å; S177-S180 WeakPolarHBondContact CA-OG 3.33Å; S177-S180 PolarHBondContact O-OG 3.44Å; S177-S180 VanDerWaalsContact O-OG 3.05Å; S177-G181 PolarHBondContact O-N 2.9Å; S177-S208 VanDerWaalsContact O-CB 3.31Å; S177-S208 WeakPolarHBondContact O-CB 3.41Å; S177-D212 PolarHBondContact OG-OD2 3.49Å
178	T	95.5	Very high	92.8	Very high	39 Å²	39	54.6 Å²	54.6	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-47.3	173.5	-46.3	0	0	0	0	111.8	L174 L175 A182 S205 T209	L174-T178 PolarHBondContact O-N 2.9Å; L174-T178 VanDerWaalsContact O-N 3.08Å; L174-T178 PolarHBondContact O-OG1 3.12Å; L174-T178 VanDerWaalsContact O-OG1 3.06Å; L175-T178 PolarHBondContact O-N 3.45Å; T178-A182 WeakPolarHBondContact O-CB 3.45Å; T178-A182 PolarHBondContact O-N 3.16Å; T178-S205 WeakPolarHBondContact O-CB 3.14Å; T178-T209 WeakPolarHBondContact CB-OG1 3.22Å; T178-T209 PolarHBondContact OG1-OG1 2.94Å
179	L	95.6	Very high	92.8	Very high	76 Å²	76	45.6 Å²	45.6	40%	0.398	27%	0.273	S	S	.	.	H	α-helix	trans	-69.9	-44.7	-178	-73.9	172.2	0	0	0	112.2	L165 L175 N176 G181 A182 I183	L165-L179 HydrophobicContact CD1-CB 3.77Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.34Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.28Å; L175-L179 PolarHBondContact O-N 2.96Å; N176-L179 PolarHBondContact O-N 3.41Å; L179-G181 VanDerWaalsContact C-N 3.34Å; L179-G181 PolarHBondContact O-N 2.97Å; L179-A182 PolarHBondContact O-N 2.87Å; L179-I183 WeakPolarHBondContact O-CB 3.19Å; L179-I183 WeakPolarHBondContact O-CD1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.49Å; L179-I183 PolarHBondContact O-N 2.9Å
180	S	95.1	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-45.4	174	52.4	0	0	0	0	110.9	F158 T161 N176 S177 A182 I183 V184	F158-S180 WeakPolarHBondContact CE2-OG 3.32Å; T161-S180 WeakPolarHBondContact OG1-CB 3.37Å; N176-S180 VanDerWaalsContact O-CB 3.29Å; N176-S180 WeakPolarHBondContact O-CB 3.3Å; N176-S180 PolarHBondContact O-N 2.98Å; N176-S180 PolarHBondContact O-OG 3.3Å; S177-S180 VanDerWaalsContact CA-OG 3.3Å; S177-S180 WeakPolarHBondContact CA-OG 3.33Å; S177-S180 PolarHBondContact O-OG 3.44Å; S177-S180 VanDerWaalsContact O-OG 3.05Å; S180-A182 PolarHBondContact O-N 3.45Å; S180-I183 PolarHBondContact O-N 2.92Å; S180-V184 WeakPolarHBondContact O-CB 3.45Å; S180-V184 VanDerWaalsContact O-CG2 3.3Å; S180-V184 WeakPolarHBondContact O-CG2 3.05Å; S180-V184 PolarHBondContact O-N 3.36Å
181	G	95.5	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-48.5	173.1	0	0	0	0	0	112.5	S177 L179 G185 F204	S177-G181 PolarHBondContact O-N 2.9Å; L179-G181 VanDerWaalsContact C-N 3.34Å; L179-G181 PolarHBondContact O-N 2.97Å; G181-G185 WeakPolarHBondContact O-CA 3.14Å; G181-G185 PolarHBondContact O-N 3.26Å; G181-F204 WeakPolarHBondContact O-CB 3.46Å
182	A	96.7	Very high	93.4	Very high	30 Å²	30	53.2 Å²	53.2	25%	0.248	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-43.5	177.5	0	0	0	0	0	112.8	T178 L179 S180 G186 A201	T178-A182 WeakPolarHBondContact O-CB 3.45Å; T178-A182 PolarHBondContact O-N 3.16Å; L179-A182 PolarHBondContact O-N 2.87Å; S180-A182 PolarHBondContact O-N 3.45Å; A182-G186 WeakPolarHBondContact O-CA 3.33Å; A182-G186 PolarHBondContact O-N 2.81Å; A182-A201 HydrophobicContact CB-CB 4.44Å; A182-A201 WeakPolarHBondContact O-CB 3.33Å
183	I	96.2	Very high	93.8	Very high	91 Å²	91	51.4 Å²	51.4	47%	0.467	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-47.7	-179.3	-69.8	165	0	0	0	110.7	T161 L165 L179 S180 G187	T161-I183 HydrophobicContact CG2-CG2 4.2Å; L165-I183 HydrophobicContact CD1-CD1 4.34Å; L179-I183 WeakPolarHBondContact O-CB 3.19Å; L179-I183 WeakPolarHBondContact O-CD1 3.26Å; L179-I183 WeakPolarHBondContact O-CG1 3.49Å; L179-I183 PolarHBondContact O-N 2.9Å; S180-I183 PolarHBondContact O-N 2.92Å; I183-G187 WeakPolarHBondContact O-CA 3.3Å; I183-G187 PolarHBondContact O-N 2.85Å
184	V	95.7	Very high	94	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-50.9	-178.3	175.9	0	0	0	0	110.4	L157 T161 S180 G186 G187 I188	L157-V184 HydrophobicContact CB-CG1 3.84Å; L157-V184 HydrophobicContact CB-CG2 3.89Å; L157-V184 HydrophobicContact CD1-CG1 4.4Å; T161-V184 HydrophobicContact CG2-CG2 3.91Å; T161-V184 WeakPolarHBondContact OG1-CG2 3.48Å; S180-V184 WeakPolarHBondContact O-CB 3.45Å; S180-V184 VanDerWaalsContact O-CG2 3.3Å; S180-V184 WeakPolarHBondContact O-CG2 3.05Å; S180-V184 PolarHBondContact O-N 3.36Å; V184-G186 VanDerWaalsContact C-N 3.34Å; V184-G186 PolarHBondContact O-N 2.84Å; V184-G187 PolarHBondContact O-N 3.02Å; V184-I188 VanDerWaalsContact O-CG1 3.31Å; V184-I188 WeakPolarHBondContact O-CG1 3.32Å; V184-I188 WeakPolarHBondContact O-CG2 3.3Å; V184-I188 PolarHBondContact O-N 2.95Å
185	G	94.5	Very high	94.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-40.7	178.8	0	0	0	0	0	112.6	G181 G189	G181-G185 WeakPolarHBondContact O-CA 3.14Å; G181-G185 PolarHBondContact O-N 3.26Å; G185-G189 PolarHBondContact O-N 3.26Å
186	G	95.5	Very high	94.2	Very high	16 Å²	16	56.5 Å²	56.5	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-47.4	173	0	0	0	0	0	112.2	A182 V184 G189 F190 G197	A182-G186 WeakPolarHBondContact O-CA 3.33Å; A182-G186 PolarHBondContact O-N 2.81Å; V184-G186 VanDerWaalsContact C-N 3.34Å; V184-G186 PolarHBondContact O-N 2.84Å; G186-G189 PolarHBondContact O-N 2.82Å; G186-F190 VanDerWaalsContact O-CB 3.23Å; G186-F190 WeakPolarHBondContact O-CB 3.4Å; G186-F190 PolarHBondContact O-N 3.3Å; G186-G197 WeakPolarHBondContact CA-O 3.31Å
187	G	95.1	Very high	94.4	Very high	47 Å²	47	56.6 Å²	56.6	49%	0.485	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-42.1	-177.4	0	0	0	0	0	113.7	I183 V184	I183-G187 WeakPolarHBondContact O-CA 3.3Å; I183-G187 PolarHBondContact O-N 2.85Å; V184-G187 PolarHBondContact O-N 3.02Å
188	I	93.6	Very high	94.6	Very high	56 Å²	56	62 Å²	62	29%	0.287	35%	0.348	S	S	.	.	H	α-helix	trans	-73.8	-39.3	175.7	69.3	-173.6	0	0	0	111.5	I154 L157 V184 F190 R191 F204	I154-I188 HydrophobicContact CG1-CD1 4.35Å; L157-I188 HydrophobicContact CD1-CG2 4.12Å; V184-I188 VanDerWaalsContact O-CG1 3.31Å; V184-I188 WeakPolarHBondContact O-CG1 3.32Å; V184-I188 WeakPolarHBondContact O-CG2 3.3Å; V184-I188 PolarHBondContact O-N 2.95Å; I188-F190 VanDerWaalsContact C-N 3.34Å; I188-F190 PolarHBondContact O-N 3.41Å; I188-R191 PolarHBondContact O-N 3.38Å; I188-F204 HydrophobicContact CD1-CE1 4.2Å; I188-F204 HydrophobicContact CD1-CE2 4.22Å; I188-F204 HydrophobicContact CD1-CZ 3.75Å
189	G	92.1	Very high	94.6	Very high	12 Å²	12	66.7 Å²	66.7	12%	0.124	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-30.3	-179.7	0	0	0	0	0	113	G185 G186 R191 A192 G193 G197	G185-G189 PolarHBondContact O-N 3.26Å; G186-G189 PolarHBondContact O-N 2.82Å; G189-R191 PolarHBondContact O-N 2.93Å; G189-R191 VanDerWaalsContact O-N 3.16Å; G189-A192 PolarHBondContact O-N 2.99Å; G189-G193 PolarHBondContact O-N 2.72Å; G189-G197 PolarHBondContact O-N 2.85Å
190	F	94.2	Very high	94.6	Very high	134 Å²	134	63.8 Å²	63.8	59%	0.588	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-60.6	-27.3	179.3	-163.8	-98.6	0	0	0	112.6	G186 I188 A192 G193 L194	G186-F190 VanDerWaalsContact O-CB 3.23Å; G186-F190 WeakPolarHBondContact O-CB 3.4Å; G186-F190 PolarHBondContact O-N 3.3Å; I188-F190 VanDerWaalsContact C-N 3.34Å; I188-F190 PolarHBondContact O-N 3.41Å; F190-A192 PolarHBondContact O-N 3.37Å; F190-G193 PolarHBondContact O-N 3.47Å; F190-G193 VanDerWaalsContact O-N 3.08Å; F190-L194 HydrophobicContact CD2-CD1 4.43Å; F190-L194 HydrophobicContact CE2-CD1 3.9Å
191	R	91.1	Very high	94.7	Very high	232 Å²	232	64.9 Å²	64.9	88%	0.875	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-64.9	-23.2	174.1	-63	177.7	98.2	80.5	-5.2	113	I188 G189	I188-R191 PolarHBondContact O-N 3.38Å; G189-R191 PolarHBondContact O-N 2.93Å; G189-R191 VanDerWaalsContact O-N 3.16Å
192	A	91.6	Very high	94.7	Very high	85 Å²	85	67.1 Å²	67.1	70%	0.702	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-95	-2.8	174.6	0	0	0	0	0	113.3	G189 F190 A196	G189-A192 PolarHBondContact O-N 2.99Å; F190-A192 PolarHBondContact O-N 3.37Å; A192-A196 HydrophobicContact CB-CB 3.77Å
193	G	94.3	Very high	94.7	Very high	31 Å²	31	67.6 Å²	67.6	32%	0.32	40%	0.395	S	S	.	.			trans	124.8	167.7	178.4	0	0	0	0	0	113.6	G189 F190 Q195 A196 G197	G189-G193 PolarHBondContact O-N 2.72Å; F190-G193 PolarHBondContact O-N 3.47Å; F190-G193 VanDerWaalsContact O-N 3.08Å; G193-Q195 PolarHBondContact O-N 2.89Å; G193-A196 PolarHBondContact O-N 2.84Å; G193-G197 PolarHBondContact O-N 3.38Å
194	L	94.4	Very high	94.7	Very high	115 Å²	115	66.2 Å²	66.2	60%	0.602	39%	0.386	S	S	*	.	H	α-helix	trans	-62.9	-42.6	-177	-178.5	64.7	0	0	0	112.4	F190 G197 L198	F190-L194 HydrophobicContact CD2-CD1 4.43Å; F190-L194 HydrophobicContact CE2-CD1 3.9Å; L194-G197 PolarHBondContact O-N 3.43Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L194-L198 WeakPolarHBondContact O-CG 3.2Å; L194-L198 PolarHBondContact O-N 3.49Å
195	Q	93.7	Very high	94.7	Very high	173 Å²	173	66.9 Å²	66.9	81%	0.808	39%	0.391	S	S	*	.	H	α-helix	trans	-63.4	-43.1	177.7	-70.8	-176.9	-30.9	0	0	111.7	G193 G197 L198 L199	G193-Q195 PolarHBondContact O-N 2.89Å; Q195-G197 VanDerWaalsContact C-N 3.34Å; Q195-L198 PolarHBondContact O-N 2.88Å; Q195-L199 WeakPolarHBondContact O-CB 3.31Å; Q195-L199 PolarHBondContact O-N 3.46Å
196	A	94.2	Very high	94.8	Very high	36 Å²	36	72.6 Å²	72.6	30%	0.298	42%	0.42	S	S	.	.	H	α-helix	trans	-65.3	-37.8	175.9	0	0	0	0	0	111.8	A192 G193 G200	A192-A196 HydrophobicContact CB-CB 3.77Å; G193-A196 PolarHBondContact O-N 2.84Å; A196-G200 WeakPolarHBondContact O-CA 3.45Å; A196-G200 PolarHBondContact O-N 3.36Å
197	G	95	Very high	94.8	Very high	5 Å²	5	78.2 Å²	78.2	5%	0.052	44%	0.44	C	S	.	.	H	α-helix	trans	-62	-47	173.4	0	0	0	0	0	113	G186 G189 G193 L194 Q195 G200 A201	G186-G197 WeakPolarHBondContact CA-O 3.31Å; G189-G197 PolarHBondContact O-N 2.85Å; G193-G197 PolarHBondContact O-N 3.38Å; L194-G197 PolarHBondContact O-N 3.43Å; Q195-G197 VanDerWaalsContact C-N 3.34Å; G197-G200 PolarHBondContact O-N 3.01Å; G197-A201 WeakPolarHBondContact O-CB 3.31Å; G197-A201 PolarHBondContact O-N 3.08Å
198	L	96.6	Very high	94.8	Very high	117 Å²	117	76.4 Å²	76.4	61%	0.613	42%	0.42	S	S	*	.	H	α-helix	trans	-65.8	-43.7	178.3	-69.9	175.4	0	0	0	112.2	L194 Q195 G200 A201 A202	L194-L198 HydrophobicContact CG-CD1 4.45Å; L194-L198 WeakPolarHBondContact O-CG 3.2Å; L194-L198 PolarHBondContact O-N 3.49Å; Q195-L198 PolarHBondContact O-N 2.88Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-A201 PolarHBondContact O-N 2.96Å; L198-A202 WeakPolarHBondContact O-CB 3.34Å; L198-A202 PolarHBondContact O-N 3.11Å
199	L	96.2	Very high	94.9	Very high	138 Å²	138	75.6 Å²	75.6	72%	0.723	42%	0.418	S	S	*	.	H	α-helix	trans	-63.3	-42.3	175.7	-169.9	79.5	0	0	0	111.1	Q195 A202 G203	Q195-L199 WeakPolarHBondContact O-CB 3.31Å; Q195-L199 PolarHBondContact O-N 3.46Å; L199-A202 PolarHBondContact O-N 3.03Å; L199-G203 PolarHBondContact O-N 3.08Å
200	G	95.3	Very high	95	Very high	16 Å²	16	77.7 Å²	77.7	17%	0.165	43%	0.434	C	S	.	.	H	α-helix	trans	-62.3	-45.6	176.2	0	0	0	0	0	112.2	A196 G197 L198 G203 F204	A196-G200 WeakPolarHBondContact O-CA 3.45Å; A196-G200 PolarHBondContact O-N 3.36Å; G197-G200 PolarHBondContact O-N 3.01Å; L198-G200 VanDerWaalsContact C-N 3.34Å; G200-G203 PolarHBondContact O-N 3.36Å; G200-F204 WeakPolarHBondContact O-CB 3.39Å; G200-F204 VanDerWaalsContact O-CD2 3.31Å; G200-F204 WeakPolarHBondContact O-CD2 3.19Å; G200-F204 PolarHBondContact O-N 3.26Å
201	A	96.3	Very high	95	Very high	22 Å²	22	74.7 Å²	74.7	18%	0.182	42%	0.424	C	S	.	.	H	α-helix	trans	-61.4	-45.6	175.8	0	0	0	0	0	111.9	A182 G197 L198 S205	A182-A201 HydrophobicContact CB-CB 4.44Å; A182-A201 WeakPolarHBondContact O-CB 3.33Å; G197-A201 WeakPolarHBondContact O-CB 3.31Å; G197-A201 PolarHBondContact O-N 3.08Å; L198-A201 PolarHBondContact O-N 2.96Å; A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 3.03Å; A201-S205 PolarHBondContact O-OG 3.45Å
202	A	96.9	Very high	95	Very high	47 Å²	47	65 Å²	65	39%	0.388	39%	0.389	S	S	.	.	H	α-helix	trans	-62.5	-48.9	176.5	0	0	0	0	0	111.7	L198 L199 S205 I206	L198-A202 WeakPolarHBondContact O-CB 3.34Å; L198-A202 PolarHBondContact O-N 3.11Å; L199-A202 PolarHBondContact O-N 3.03Å; A202-S205 PolarHBondContact O-N 2.74Å; A202-S205 PolarHBondContact O-OG 3.49Å; A202-I206 WeakPolarHBondContact O-CB 3.38Å; A202-I206 WeakPolarHBondContact O-CD1 3.35Å; A202-I206 VanDerWaalsContact O-CG1 3.25Å; A202-I206 WeakPolarHBondContact O-CG1 3.49Å; A202-I206 PolarHBondContact O-N 3.45Å
203	G	96.4	Very high	95.1	Very high	41 Å²	41	66.8 Å²	66.8	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-48.7	-179.7	0	0	0	0	0	112.9	L199 G200 I206 F207	L199-G203 PolarHBondContact O-N 3.08Å; G200-G203 PolarHBondContact O-N 3.36Å; G203-I206 PolarHBondContact O-N 2.89Å; G203-F207 VanDerWaalsContact O-CB 3.3Å; G203-F207 WeakPolarHBondContact O-CB 3.28Å; G203-F207 PolarHBondContact O-N 3.29Å
204	F	95.3	Very high	95.1	Very high	61 Å²	61	71.2 Å²	71.2	27%	0.268	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-38	179.9	-85.4	-112.8	0	0	0	112.3	I154 G181 I188 G200 S208	I154-F204 HydrophobicContact CG2-CE1 3.93Å; G181-F204 WeakPolarHBondContact O-CB 3.46Å; I188-F204 HydrophobicContact CD1-CE1 4.2Å; I188-F204 HydrophobicContact CD1-CE2 4.22Å; I188-F204 HydrophobicContact CD1-CZ 3.75Å; G200-F204 WeakPolarHBondContact O-CB 3.39Å; G200-F204 VanDerWaalsContact O-CD2 3.31Å; G200-F204 WeakPolarHBondContact O-CD2 3.19Å; G200-F204 PolarHBondContact O-N 3.26Å; F204-S208 VanDerWaalsContact O-CB 3.22Å; F204-S208 WeakPolarHBondContact O-CB 3.26Å; F204-S208 PolarHBondContact O-N 3.46Å; F204-S208 PolarHBondContact O-OG 3.41Å
205	S	96.3	Very high	95	Very high	20 Å²	20	72 Å²	72	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-64.2	-43.8	176.7	61.8	0	0	0	0	111.8	T178 A201 A202 T209	T178-S205 WeakPolarHBondContact O-CB 3.14Å; A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 3.03Å; A201-S205 PolarHBondContact O-OG 3.45Å; A202-S205 PolarHBondContact O-N 2.74Å; A202-S205 PolarHBondContact O-OG 3.49Å; S205-T209 VanDerWaalsContact O-CB 3.29Å; S205-T209 WeakPolarHBondContact O-CB 3.28Å; S205-T209 PolarHBondContact O-N 2.95Å; S205-T209 PolarHBondContact O-OG1 3.36Å
206	I	97	Very high	94.8	Very high	120 Å²	120	68.5 Å²	68.5	62%	0.615	37%	0.365	S	S	*	.	H	α-helix	trans	-64.6	-49.8	176.7	-67.6	167.4	0	0	0	110.4	A202 G203 S208 T209 A210	A202-I206 WeakPolarHBondContact O-CB 3.38Å; A202-I206 WeakPolarHBondContact O-CD1 3.35Å; A202-I206 VanDerWaalsContact O-CG1 3.25Å; A202-I206 WeakPolarHBondContact O-CG1 3.49Å; A202-I206 PolarHBondContact O-N 3.45Å; G203-I206 PolarHBondContact O-N 2.89Å; I206-S208 PolarHBondContact O-N 2.91Å; I206-T209 PolarHBondContact O-N 2.96Å; I206-A210 WeakPolarHBondContact O-CB 3.28Å; I206-A210 PolarHBondContact O-N 3.5Å
207	F	95.3	Very high	94.6	Very high	134 Å²	134	72.3 Å²	72.3	59%	0.588	38%	0.376	S	S	*	.	H	α-helix	trans	-59	-48.6	-179.5	176.2	-104.9	0	0	0	111.8	G203 T209 A210 I211	G203-F207 VanDerWaalsContact O-CB 3.3Å; G203-F207 WeakPolarHBondContact O-CB 3.28Å; G203-F207 PolarHBondContact O-N 3.29Å; F207-T209 VanDerWaalsContact C-N 3.34Å; F207-T209 PolarHBondContact O-N 2.82Å; F207-A210 PolarHBondContact O-N 2.94Å; F207-I211 HydrophobicContact CD2-CG1 4.38Å; F207-I211 HydrophobicContact CE1-CG1 4.19Å; F207-I211 HydrophobicContact CE2-CD1 4.15Å; F207-I211 HydrophobicContact CE2-CG1 3.95Å; F207-I211 HydrophobicContact CZ-CD1 4.23Å; F207-I211 HydrophobicContact CZ-CG1 3.85Å; F207-I211 WeakPolarHBondContact O-CG1 3.41Å; F207-I211 PolarHBondContact O-N 3.37Å
208	S	94.5	Very high	94.2	Very high	10 Å²	10	78.7 Å²	78.7	7%	0.07	40%	0.402	C	S	.	.	H	α-helix	trans	-65.1	-39.5	-178.9	-51.4	0	0	0	0	111.6	F158 S177 F204 I206 I211 D212	F158-S208 VanDerWaalsContact CE2-OG 3.28Å; F158-S208 WeakPolarHBondContact CE2-OG 3.46Å; S177-S208 VanDerWaalsContact O-CB 3.31Å; S177-S208 WeakPolarHBondContact O-CB 3.41Å; F204-S208 VanDerWaalsContact O-CB 3.22Å; F204-S208 WeakPolarHBondContact O-CB 3.26Å; F204-S208 PolarHBondContact O-N 3.46Å; F204-S208 PolarHBondContact O-OG 3.41Å; I206-S208 PolarHBondContact O-N 2.91Å; S208-I211 PolarHBondContact O-N 3.11Å; S208-D212 WeakPolarHBondContact O-CB 3.42Å; S208-D212 PolarHBondContact O-N 3.25Å
209	T	95.4	Very high	92.1	Very high	39 Å²	39	82.8 Å²	82.8	24%	0.239	43%	0.425	C	S	.	.	H	α-helix	trans	-65.3	-40.9	175.7	-53.5	0	0	0	0	111.5	T178 S205 I206 F207 Y213	T178-T209 WeakPolarHBondContact CB-OG1 3.22Å; T178-T209 PolarHBondContact OG1-OG1 2.94Å; S205-T209 VanDerWaalsContact O-CB 3.29Å; S205-T209 WeakPolarHBondContact O-CB 3.28Å; S205-T209 PolarHBondContact O-N 2.95Å; S205-T209 PolarHBondContact O-OG1 3.36Å; I206-T209 PolarHBondContact O-N 2.96Å; F207-T209 VanDerWaalsContact C-N 3.34Å; F207-T209 PolarHBondContact O-N 2.82Å; T209-Y213 WeakPolarHBondContact O-CB 3.46Å; T209-Y213 PolarHBondContact O-N 3.19Å
210	A	95.6	Very high	91.9	Very high	55 Å²	55	80.1 Å²	80.1	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-42.6	178.9	0	0	0	0	0	112	I206 F207 Y214	I206-A210 WeakPolarHBondContact O-CB 3.28Å; I206-A210 PolarHBondContact O-N 3.5Å; F207-A210 PolarHBondContact O-N 2.94Å; A210-Y214 WeakPolarHBondContact O-CB 3.27Å; A210-Y214 PolarHBondContact O-N 2.9Å
211	I	93.2	Very high	91.8	Very high	72 Å²	72	83.4 Å²	83.4	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-46.9	177.2	-64.6	-63.4	0	0	0	111.3	F207 S208 Y213 Y214 F215	F207-I211 HydrophobicContact CD2-CG1 4.38Å; F207-I211 HydrophobicContact CE1-CG1 4.19Å; F207-I211 HydrophobicContact CE2-CD1 4.15Å; F207-I211 HydrophobicContact CE2-CG1 3.95Å; F207-I211 HydrophobicContact CZ-CD1 4.23Å; F207-I211 HydrophobicContact CZ-CG1 3.85Å; F207-I211 WeakPolarHBondContact O-CG1 3.41Å; F207-I211 PolarHBondContact O-N 3.37Å; S208-I211 PolarHBondContact O-N 3.11Å; I211-Y213 VanDerWaalsContact C-N 3.35Å; I211-Y213 PolarHBondContact O-N 2.74Å; I211-Y214 WeakPolarHBondContact O-CB 3.49Å; I211-Y214 PolarHBondContact O-N 3.38Å; I211-F215 HydrophobicContact CG2-CD2 3.71Å; I211-F215 HydrophobicContact CG2-CE2 3.43Å; I211-F215 VanDerWaalsContact CG2-CE2 3.43Å; I211-F215 WeakPolarHBondContact O-CD2 3.37Å; I211-F215 PolarHBondContact O-N 3.13Å
212	D	91.4	Very high	91.5	Very high	27 Å²	27	86.8 Å²	86.8	14%	0.144	44%	0.436	C	S	.	.	H	α-helix	trans	-65.2	-39.8	178.4	-169.8	31.7	0	0	0	111.3	L174 S177 S208 Y214 F215 R216	L174-D212 WeakPolarHBondContact CA-OD2 3.48Å; L174-D212 HydrophobicContact CD2-CB 3.84Å; L174-D212 VanDerWaalsContact CD2-OD2 3.31Å; L174-D212 WeakPolarHBondContact CD2-OD2 3.23Å; S177-D212 PolarHBondContact OG-OD2 3.49Å; S208-D212 WeakPolarHBondContact O-CB 3.42Å; S208-D212 PolarHBondContact O-N 3.25Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-Y214 PolarHBondContact O-N 2.94Å; D212-F215 PolarHBondContact O-N 2.61Å; D212-R216 WeakPolarHBondContact O-CB 3.41Å; D212-R216 VanDerWaalsContact O-CG 3.29Å; D212-R216 WeakPolarHBondContact O-CG 3.43Å; D212-R216 PolarHBondContact O-N 2.82Å; D212-R216 IonicContact OD1-CZ 3Å; D212-R216 IonicContact OD1-NE 2.96Å; D212-R216 PolarHBondContact OD1-NE 3.16Å; D212-R216 IonicContact OD1-NH2 3.73Å; D212-R216 IonicContact OD2-CZ 2.82Å; D212-R216 IonicContact OD2-NE 2.89Å; D212-R216 PolarHBondContact OD2-NE 2.89Å; D212-R216 IonicContact OD2-NH2 3.34Å; D212-R216 PolarHBondContact OD2-NH2 3.46Å
213	Y	94.2	Very high	91.2	Very high	124 Å²	124	89.2 Å²	89.2	49%	0.486	44%	0.439	S	S	.	.	H	α-helix	trans	-59	-45.4	173.1	-178.7	-89.5	0	0	0	111.7	L174 T209 I211 R216 H217	L174-Y213 HydrophobicContact CD1-CD2 4.37Å; T209-Y213 WeakPolarHBondContact O-CB 3.46Å; T209-Y213 PolarHBondContact O-N 3.19Å; I211-Y213 VanDerWaalsContact C-N 3.35Å; I211-Y213 PolarHBondContact O-N 2.74Å; Y213-R216 PolarHBondContact O-N 2.63Å; Y213-H217 AromaticContact CD1-ND1 3.88Å; Y213-H217 AromaticContact CD2-CE1 3.29Å; Y213-H217 WeakPolarHBondContact CD2-CE1 3.44Å; Y213-H217 AromaticContact CD2-ND1 3.55Å; Y213-H217 AromaticContact CE1-ND1 3.76Å; Y213-H217 AromaticContact CE2-CE1 2.92Å; Y213-H217 WeakPolarHBondContact CE2-CE1 2.95Å; Y213-H217 AromaticContact CE2-ND1 3.44Å; Y213-H217 WeakPolarHBondContact CE2-ND1 3.37Å; Y213-H217 AromaticContact CE2-NE2 3.39Å; Y213-H217 WeakPolarHBondContact CE2-NE2 3.41Å; Y213-H217 AromaticContact CG-CE1 3.99Å; Y213-H217 AromaticContact CG-ND1 3.76Å; Y213-H217 AromaticContact CZ-CD2 3.82Å; Y213-H217 AromaticContact CZ-CE1 3.33Å; Y213-H217 AromaticContact CZ-CG 3.83Å; Y213-H217 AromaticContact CZ-ND1 3.51Å; Y213-H217 AromaticContact CZ-NE2 3.49Å; Y213-H217 PolarHBondContact O-N 3.08Å; Y213-H217 VanDerWaalsContact O-N 3.11Å; Y213-H217 PolarHBondContact O-ND1 3.3Å; Y213-H217 PolarHBondContact OH-NE2 2.98Å
214	Y	95	Very high	90.9	Very high	123 Å²	123	92.2 Å²	92.2	48%	0.482	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-45.7	178.2	178.2	-97.4	0	0	0	112.1	A210 I211 D212 K218	A210-Y214 WeakPolarHBondContact O-CB 3.27Å; A210-Y214 PolarHBondContact O-N 2.9Å; I211-Y214 WeakPolarHBondContact O-CB 3.49Å; I211-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-Y214 PolarHBondContact O-N 2.94Å; Y214-K218 HydrophobicContact CE1-CD 3.82Å; Y214-K218 HydrophobicContact CE2-CD 4.42Å; Y214-K218 VanDerWaalsContact O-CB 3.29Å; Y214-K218 WeakPolarHBondContact O-CB 3.46Å; Y214-K218 PolarHBondContact O-N 3.23Å; Y214-K218 WeakPolarHBondContact OH-CD 3.43Å; Y214-K218 PolarHBondContact OH-NZ 3.26Å
215	F	92.1	Very high	90.6	Very high	132 Å²	132	94.3 Å²	94.3	58%	0.579	45%	0.451	S	S	*	.	H	α-helix	trans	-68.6	-35	179.4	-74.4	-52.6	0	0	0	113.2	I211 D212	I211-F215 HydrophobicContact CG2-CD2 3.71Å; I211-F215 HydrophobicContact CG2-CE2 3.43Å; I211-F215 VanDerWaalsContact CG2-CE2 3.43Å; I211-F215 WeakPolarHBondContact O-CD2 3.37Å; I211-F215 PolarHBondContact O-N 3.13Å; D212-F215 PolarHBondContact O-N 2.61Å
216	R	88.7	Confident	90.2	Very high	100 Å²	100	99.6 Å²	99.6	38%	0.377	47%	0.474	S	S	.	.	H	α-helix	trans	-72.9	-28.1	178.4	-70.4	177.3	-170.4	-104.6	5	114.4	S172 D212 Y213	S172-R216 PolarHBondContact O-NH1 3.16Å; S172-R216 PolarHBondContact O-NH2 3.33Å; D212-R216 WeakPolarHBondContact O-CB 3.41Å; D212-R216 VanDerWaalsContact O-CG 3.29Å; D212-R216 WeakPolarHBondContact O-CG 3.43Å; D212-R216 PolarHBondContact O-N 2.82Å; D212-R216 IonicContact OD1-CZ 3Å; D212-R216 IonicContact OD1-NE 2.96Å; D212-R216 PolarHBondContact OD1-NE 3.16Å; D212-R216 IonicContact OD1-NH2 3.73Å; D212-R216 IonicContact OD2-CZ 2.82Å; D212-R216 IonicContact OD2-NE 2.89Å; D212-R216 PolarHBondContact OD2-NE 2.89Å; D212-R216 IonicContact OD2-NH2 3.34Å; D212-R216 PolarHBondContact OD2-NH2 3.46Å; Y213-R216 PolarHBondContact O-N 2.63Å
217	H	89.9	Confident	89.6	Confident	115 Å²	115	98 Å²	98	53%	0.532	46%	0.463	S	S	.	.	H	α-helix	trans	-94.9	-15.3	-178.8	-71.8	75.2	0	0	0	113.9	Y213	Y213-H217 AromaticContact CD1-ND1 3.88Å; Y213-H217 AromaticContact CD2-CE1 3.29Å; Y213-H217 WeakPolarHBondContact CD2-CE1 3.44Å; Y213-H217 AromaticContact CD2-ND1 3.55Å; Y213-H217 AromaticContact CE1-ND1 3.76Å; Y213-H217 AromaticContact CE2-CE1 2.92Å; Y213-H217 WeakPolarHBondContact CE2-CE1 2.95Å; Y213-H217 AromaticContact CE2-ND1 3.44Å; Y213-H217 WeakPolarHBondContact CE2-ND1 3.37Å; Y213-H217 AromaticContact CE2-NE2 3.39Å; Y213-H217 WeakPolarHBondContact CE2-NE2 3.41Å; Y213-H217 AromaticContact CG-CE1 3.99Å; Y213-H217 AromaticContact CG-ND1 3.76Å; Y213-H217 AromaticContact CZ-CD2 3.82Å; Y213-H217 AromaticContact CZ-CE1 3.33Å; Y213-H217 AromaticContact CZ-CG 3.83Å; Y213-H217 AromaticContact CZ-ND1 3.51Å; Y213-H217 AromaticContact CZ-NE2 3.49Å; Y213-H217 PolarHBondContact O-N 3.08Å; Y213-H217 VanDerWaalsContact O-N 3.11Å; Y213-H217 PolarHBondContact O-ND1 3.3Å; Y213-H217 PolarHBondContact OH-NE2 2.98Å
218	K	86	Confident	89.2	Confident	140 Å²	140	95 Å²	95	61%	0.609	45%	0.452	S	S	*	.	H	α-helix	trans	-84.2	-19.9	-179.7	-172.7	173.4	178.7	-177.7	0	113.3	Y214	Y214-K218 HydrophobicContact CE1-CD 3.82Å; Y214-K218 HydrophobicContact CE2-CD 4.42Å; Y214-K218 VanDerWaalsContact O-CB 3.29Å; Y214-K218 WeakPolarHBondContact O-CB 3.46Å; Y214-K218 PolarHBondContact O-N 3.23Å; Y214-K218 WeakPolarHBondContact OH-CD 3.43Å; Y214-K218 PolarHBondContact OH-NZ 3.26Å
219	N	54.1	Low	88.7	Confident	203 Å²	203	102.7 Å²	102.7	100%	1.086	49%	0.487	S	S	*	.			trans	-98.7	0	171.7	-76.2	1	0	0	0	110.5

Retrieved 219 of 219 residues in 59.4 ms (Link to these results)

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