A0A096NXT1_PAPAN Loading...

MOB kinase activator 1A

AlphaFold DB (Q5RAE0), UniProt , Accession A0A096NXT1, Species PAPAN (Papio anubis, Olive baboon), Gene MOB1A, Length 216 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	31	Very low	33.1	Very low	223 Å²	223	156.5 Å²	156.5	100%	1.099	84%	0.835	S	S	*	*				0	119	0	-68.4	-177.2	-168.2	0	0	107.2	F3	M1-F3 PolarHBondContact O-N 3.43Å
2	S	24.7	Very low	33.8	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	82%	0.822	S	S	*	*			trans	-77.5	113.8	178.3	35.6	0	0	0	0	109.6	L4	S2-L4 PolarHBondContact O-N 3.13Å
3	F	31.5	Very low	35.2	Very low	173 Å²	173	148 Å²	148	76%	0.759	79%	0.79	S	S	*	*			trans	-73.7	113.5	179.5	-72.7	-86.1	0	0	0	110.4	M1 F5	M1-F3 PolarHBondContact O-N 3.43Å; F3-F5 PolarHBondContact O-N 3.37Å
4	L	27.9	Very low	36	Very low	172 Å²	172	149.8 Å²	149.8	90%	0.901	79%	0.787	S	S	*	*			trans	-77.8	98	174.6	-74.4	163	0	0	0	108.9	S2 S6	S2-L4 PolarHBondContact O-N 3.13Å; L4-S6 PolarHBondContact O-N 2.68Å
5	F	33.2	Very low	37.1	Very low	197 Å²	197	144.6 Å²	144.6	86%	0.864	77%	0.766	S	S	*	*			trans	-68.6	97.4	169.2	-74.7	-80.2	0	0	0	109.6	F3 S7	F3-F5 PolarHBondContact O-N 3.37Å; F5-S7 PolarHBondContact O-N 3.19Å
6	S	26.7	Very low	38.1	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	75%	0.745	S	S	*	*			trans	-71.1	107.1	171.5	-172.8	0	0	0	0	109.9	L4 R8	L4-S6 PolarHBondContact O-N 2.68Å; S6-R8 PolarHBondContact O-N 3.09Å; S6-R8 VanDerWaalsContact O-N 3.15Å
7	S	34.4	Very low	39.2	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	74%	0.743	S	S	*	*			trans	16	85.1	145.4	168.7	0	0	0	0	116.5	F5	F5-S7 PolarHBondContact O-N 3.19Å
8	R	35.3	Very low	41	Very low	187 Å²	187	137.4 Å²	137.4	71%	0.706	71%	0.714	S	S	*	*			trans	-134	115.9	158.6	-92.2	-174.4	173.3	-175.8	-1.8	110.5	S6	S6-R8 PolarHBondContact O-N 3.09Å; S6-R8 VanDerWaalsContact O-N 3.15Å
9	S	37.4	Very low	42.8	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	68%	0.68	S	S	*	*			trans	54.2	129.6	150.1	-171	0	0	0	0	118.8	K11 T12	S9-K11 PolarHBondContact O-N 2.64Å; S9-T12 PolarHBondContact O-OG1 3.36Å
10	S	39.3	Very low	44.5	Very low	123 Å²	123	127.2 Å²	127.2	86%	0.86	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	31.3	-163.9	51.3	0	0	0	0	118.7
11	K	42.9	Very low	46.2	Very low	197 Å²	197	127 Å²	127	86%	0.857	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141	27.8	171.2	-67.4	-169.9	179.4	-177.4	0	113.1	S9 F13	S9-K11 PolarHBondContact O-N 2.64Å; K11-F13 VanDerWaalsContact C-N 3.33Å; K11-F13 PolarHBondContact O-N 3.33Å
12	T	41.6	Very low	48.5	Very low	110 Å²	110	119.5 Å²	119.5	68%	0.675	64%	0.64	S	S	*	*			trans	-60.6	99.1	171.1	-7.7	0	0	0	0	107.9	S9 K14	S9-T12 PolarHBondContact O-OG1 3.36Å; T12-K14 PolarHBondContact O-N 3.02Å
13	F	52.1	Low	51.3	Low	93 Å²	93	114.5 Å²	114.5	41%	0.408	61%	0.605	S	S	.	*			trans	-65.1	103.5	178.3	-167	-76	0	0	0	106.3	K11 K16 N69	K11-F13 VanDerWaalsContact C-N 3.33Å; K11-F13 PolarHBondContact O-N 3.33Å; F13-K16 HydrophobicContact CE1-CG 4.41Å; F13-N69 WeakPolarHBondContact CD1-ND2 3.32Å; F13-N69 WeakPolarHBondContact CE1-ND2 3.4Å; F13-N69 VanDerWaalsContact CG-ND2 3.26Å; F13-N69 WeakPolarHBondContact CG-ND2 3.49Å
14	K	46.8	Very low	53.8	Low	173 Å²	173	109 Å²	109	75%	0.752	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-60.9	137.9	177	-70.2	-175.8	177.8	-179.1	0	107.8	T12 K16	T12-K14 PolarHBondContact O-N 3.02Å; K14-K16 PolarHBondContact O-N 3.34Å
15	P	51.8	Low	56.5	Low	72 Å²	72	101.6 Å²	101.6	47%	0.468	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-49	116.1	165.9	-21	30	0	0	0	107.6	K17 M70	P15-K17 PolarHBondContact O-N 3.09Å; P15-M70 HydrophobicContact CG-SD 3.84Å
16	K	53.3	Low	58.9	Low	99 Å²	99	95 Å²	95	43%	0.43	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-73.8	116.4	172.4	-76.9	-175.9	175.1	-178.7	0	105.2	F13 K14 N18	F13-K16 HydrophobicContact CE1-CG 4.41Å; K14-K16 PolarHBondContact O-N 3.34Å; K16-N18 WeakPolarHBondContact CB-OD1 3.43Å; K16-N18 PolarHBondContact O-N 3.43Å
17	K	57.4	Low	61.8	Low	164 Å²	164	95.7 Å²	95.7	71%	0.713	50%	0.503	S	S	*	.			trans	-67.1	78.8	173.3	-72.6	-172.8	176.4	-175.5	0	108.2	P15 I19 E21	P15-K17 PolarHBondContact O-N 3.09Å; K17-I19 VanDerWaalsContact C-N 3.32Å; K17-E21 IonicContact NZ-OE1 2.92Å; K17-E21 PolarHBondContact NZ-OE1 2.67Å
18	N	70.3	Confident	64.2	Low	41 Å²	41	90.4 Å²	90.4	22%	0.219	47%	0.466	C	S	.	.			trans	-74.6	-28.4	177.6	-70.2	0.3	0	0	0	110.8	K16 P20 V62 Q123 D127	K16-N18 WeakPolarHBondContact CB-OD1 3.43Å; K16-N18 PolarHBondContact O-N 3.43Å; N18-P20 WeakPolarHBondContact O-CD 3.27Å; N18-V62 HydrophobicContact CB-CG1 4.18Å; N18-Q123 PolarHBondContact ND2-NE2 3.49Å; N18-Q123 PolarHBondContact OD1-NE2 3.35Å; N18-D127 PolarHBondContact ND2-OD1 3.15Å
19	I	75.9	Confident	66.5	Low	13 Å²	13	82.7 Å²	82.7	7%	0.067	44%	0.439	C	S	.	.	S	Bend	trans	-86.1	116	177.2	-60.6	169.1	0	0	0	109.1	K17 Q25 L29 V59 V62	K17-I19 VanDerWaalsContact C-N 3.32Å; I19-Q25 HydrophobicContact CG2-CB 3.67Å; I19-L29 HydrophobicContact CD1-CD2 4.15Å; I19-V59 HydrophobicContact CD1-CB 4.49Å; I19-V59 HydrophobicContact CD1-CG1 4.17Å; I19-V59 HydrophobicContact CD1-CG2 4.43Å; I19-V62 HydrophobicContact CD1-CB 4.13Å; I19-V62 HydrophobicContact CD1-CG1 4.05Å; I19-V62 HydrophobicContact CG1-CB 4.47Å; I19-V62 HydrophobicContact CG1-CG1 4.12Å
20	P	77.3	Confident	68.8	Low	58 Å²	58	82.7 Å²	82.7	38%	0.377	43%	0.425	S	S	.	.			trans	-65.5	134.3	-177.3	-21	33.4	0	0	0	112.4	N18 G22 S23 Y26	N18-P20 WeakPolarHBondContact O-CD 3.27Å; P20-G22 PolarHBondContact O-N 2.91Å; P20-S23 VanDerWaalsContact O-CB 3.32Å; P20-S23 WeakPolarHBondContact O-CB 3.47Å; P20-S23 PolarHBondContact O-N 3.36Å; P20-S23 VanDerWaalsContact O-N 3.09Å; P20-S23 PolarHBondContact O-OG 2.92Å; P20-Y26 WeakPolarHBondContact O-CB 3.17Å
21	E	78.4	Confident	70.8	Confident	124 Å²	124	81.5 Å²	81.5	58%	0.579	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	130	173.6	-71.5	-177.3	-172.6	0	0	110.6	K17 Y26	K17-E21 IonicContact NZ-OE1 2.92Å; K17-E21 PolarHBondContact NZ-OE1 2.67Å; E21-Y26 HydrophobicContact CG-CD2 4.47Å; E21-Y26 HydrophobicContact CG-CE1 4.41Å; E21-Y26 HydrophobicContact CG-CE2 4.02Å
22	G	79.3	Confident	72.5	Confident	65 Å²	65	72.1 Å²	72.1	67%	0.67	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	1.4	-175.9	0	0	0	0	0	115	P20	P20-G22 PolarHBondContact O-N 2.91Å
23	S	83.8	Confident	74.4	Confident	12 Å²	12	72 Å²	72	8%	0.084	36%	0.357	C	S	.	.	S	Bend	trans	-74.9	158.3	165.9	65.5	0	0	0	0	111.4	P20 Q25 Y26 E27	P20-S23 VanDerWaalsContact O-CB 3.32Å; P20-S23 WeakPolarHBondContact O-CB 3.47Å; P20-S23 PolarHBondContact O-N 3.36Å; P20-S23 VanDerWaalsContact O-N 3.09Å; P20-S23 PolarHBondContact O-OG 2.92Å; S23-Q25 VanDerWaalsContact C-N 3.3Å; S23-Q25 PolarHBondContact O-N 3.48Å; S23-Y26 VanDerWaalsContact O-CB 3.27Å; S23-Y26 WeakPolarHBondContact O-CB 3.34Å; S23-Y26 PolarHBondContact O-N 2.94Å; S23-Y26 PolarHBondContact OG-N 3.46Å; S23-E27 PolarHBondContact O-N 3.33Å
24	H	84.5	Confident	75.6	Confident	59 Å²	59	71.1 Å²	71.1	27%	0.273	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-41.2	173.3	-176.5	-116.1	0	0	0	112	Y26 E27 L28 E51 E55	H24-Y26 PolarHBondContact O-N 3Å; H24-Y26 VanDerWaalsContact O-N 3.16Å; H24-E27 WeakPolarHBondContact O-CB 3.21Å; H24-E27 PolarHBondContact O-N 2.97Å; H24-L28 PolarHBondContact O-N 3.13Å; H24-E51 IonicContact CE1-OE2 2.68Å; H24-E51 PolarHBondContact CE1-OE2 3.42Å; H24-E51 IonicContact NE2-OE1 3.34Å; H24-E51 IonicContact NE2-OE2 2.64Å; H24-E51 PolarHBondContact NE2-OE2 2.91Å; H24-E55 IonicContact CE1-OE2 3.54Å; H24-E55 PolarHBondContact CE1-OE2 3.49Å; H24-E55 IonicContact CG-OE1 3.81Å; H24-E55 IonicContact ND1-OE1 3.58Å; H24-E55 PolarHBondContact ND1-OE1 3.35Å; H24-E55 IonicContact ND1-OE2 2.72Å; H24-E55 PolarHBondContact ND1-OE2 3.32Å
25	Q	84.6	Confident	76.8	Confident	15 Å²	15	64.2 Å²	64.2	7%	0.07	34%	0.339	C	S	.	.	H	α-helix	trans	-51.4	-36	169.1	-70.6	-176.5	-6.2	0	0	113.7	I19 S23 L29 E55 V59 P133	I19-Q25 HydrophobicContact CG2-CB 3.67Å; S23-Q25 VanDerWaalsContact C-N 3.3Å; S23-Q25 PolarHBondContact O-N 3.48Å; Q25-L29 PolarHBondContact O-N 3.03Å; Q25-E55 HydrophobicContact CG-CG 3.62Å; Q25-E55 WeakPolarHBondContact CG-OE1 3.49Å; Q25-E55 PolarHBondContact N-OE1 3.46Å; Q25-V59 HydrophobicContact CB-CG2 3.62Å; Q25-V59 HydrophobicContact CG-CG2 3.79Å; Q25-V59 WeakPolarHBondContact O-CG2 3.46Å; Q25-P133 PolarHBondContact NE2-O 3.4Å
26	Y	84.5	Confident	77.8	Confident	58 Å²	58	62.7 Å²	62.7	23%	0.227	33%	0.327	C	S	.	.	H	α-helix	trans	-71.6	-33.8	177.4	-177	-108	0	0	0	112.6	P20 E21 S23 H24 K30	P20-Y26 WeakPolarHBondContact O-CB 3.17Å; E21-Y26 HydrophobicContact CG-CD2 4.47Å; E21-Y26 HydrophobicContact CG-CE1 4.41Å; E21-Y26 HydrophobicContact CG-CE2 4.02Å; S23-Y26 VanDerWaalsContact O-CB 3.27Å; S23-Y26 WeakPolarHBondContact O-CB 3.34Å; S23-Y26 PolarHBondContact O-N 2.94Å; S23-Y26 PolarHBondContact OG-N 3.46Å; H24-Y26 PolarHBondContact O-N 3Å; H24-Y26 VanDerWaalsContact O-N 3.16Å; Y26-K30 HydrophobicContact CD1-CD 4.46Å; Y26-K30 HydrophobicContact CE1-CD 4.01Å; Y26-K30 VanDerWaalsContact CE1-NZ 3.3Å; Y26-K30 PolarHBondContact O-N 3.49Å; Y26-K30 VanDerWaalsContact O-N 3.13Å; Y26-K30 WeakPolarHBondContact OH-CE 3.4Å; Y26-K30 PolarHBondContact OH-NZ 2.97Å
27	E	85.8	Confident	78.5	Confident	124 Å²	124	61.3 Å²	61.3	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-68.5	-41.6	174	-62.4	-176.7	167.7	0	0	111.1	S23 H24 L29 K30 H31	S23-E27 PolarHBondContact O-N 3.33Å; H24-E27 WeakPolarHBondContact O-CB 3.21Å; H24-E27 PolarHBondContact O-N 2.97Å; E27-L29 PolarHBondContact O-N 2.92Å; E27-K30 PolarHBondContact O-N 3.27Å; E27-H31 PolarHBondContact O-N 3.34Å
28	L	85.2	Confident	78.8	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-44	172.7	-73.9	173	0	0	0	112.4	H24 K30 H31 A32 P48 E51 E55 W56 V59	H24-L28 PolarHBondContact O-N 3.13Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.23Å; L28-H31 WeakPolarHBondContact O-CB 3.47Å; L28-H31 PolarHBondContact O-N 2.98Å; L28-A32 PolarHBondContact O-N 3.16Å; L28-P48 HydrophobicContact CD2-CG 4.34Å; L28-E51 HydrophobicContact CD2-CB 4.41Å; L28-E51 HydrophobicContact CD2-CG 3.75Å; L28-E55 HydrophobicContact CD1-CB 4.37Å; L28-E55 HydrophobicContact CD1-CG 3.83Å; L28-W56 HydrophobicContact CB-CE3 4.28Å; L28-W56 HydrophobicContact CB-CZ3 4.23Å; L28-W56 HydrophobicContact CD2-CE3 4.05Å; L28-W56 HydrophobicContact CD2-CZ3 4.24Å; L28-V59 HydrophobicContact CB-CG1 4.4Å; L28-V59 HydrophobicContact CB-CG2 4.2Å; L28-V59 HydrophobicContact CD1-CG2 4.39Å
29	L	84.7	Confident	78.7	Confident	25 Å²	25	58.3 Å²	58.3	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-46.3	176.3	-177.8	64.6	0	0	0	111.1	I19 Q25 E27 H31 A32 E33 V59 D63	I19-L29 HydrophobicContact CD1-CD2 4.15Å; Q25-L29 PolarHBondContact O-N 3.03Å; E27-L29 PolarHBondContact O-N 2.92Å; L29-H31 VanDerWaalsContact C-N 3.31Å; L29-H31 PolarHBondContact O-N 3.46Å; L29-A32 WeakPolarHBondContact O-CB 3.47Å; L29-A32 PolarHBondContact O-N 3.23Å; L29-E33 WeakPolarHBondContact O-CG 3.27Å; L29-E33 PolarHBondContact O-N 3.46Å; L29-V59 HydrophobicContact CB-CG1 3.82Å; L29-V59 HydrophobicContact CD1-CG1 4.08Å; L29-D63 HydrophobicContact CD1-CB 4.03Å
30	K	85.1	Confident	78.8	Confident	106 Å²	106	60.6 Å²	60.6	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-39.3	176.7	-79	-175.8	170.6	175	0	112.8	Y26 E27 L28 E33 A34	Y26-K30 HydrophobicContact CD1-CD 4.46Å; Y26-K30 HydrophobicContact CE1-CD 4.01Å; Y26-K30 VanDerWaalsContact CE1-NZ 3.3Å; Y26-K30 PolarHBondContact O-N 3.49Å; Y26-K30 VanDerWaalsContact O-N 3.13Å; Y26-K30 WeakPolarHBondContact OH-CE 3.4Å; Y26-K30 PolarHBondContact OH-NZ 2.97Å; E27-K30 PolarHBondContact O-N 3.27Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.23Å; K30-E33 PolarHBondContact O-N 2.95Å; K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.41Å
31	H	81	Confident	79.1	Confident	97 Å²	97	58.5 Å²	58.5	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175.9	179.5	-83.2	0	0	0	111.5	E27 L28 L29 A34 T35	E27-H31 PolarHBondContact O-N 3.34Å; L28-H31 WeakPolarHBondContact O-CB 3.47Å; L28-H31 PolarHBondContact O-N 2.98Å; L29-H31 VanDerWaalsContact C-N 3.31Å; L29-H31 PolarHBondContact O-N 3.46Å; H31-A34 PolarHBondContact O-N 3.3Å; H31-T35 PolarHBondContact O-N 3.38Å; H31-T35 PolarHBondContact O-OG1 3.42Å
32	A	79	Confident	79.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-50.9	175.3	0	0	0	0	0	111.1	L28 L29 A34 T35 L36 W56	L28-A32 PolarHBondContact O-N 3.16Å; L29-A32 WeakPolarHBondContact O-CB 3.47Å; L29-A32 PolarHBondContact O-N 3.23Å; A32-A34 VanDerWaalsContact C-N 3.32Å; A32-A34 PolarHBondContact O-N 2.87Å; A32-T35 PolarHBondContact O-N 3.34Å; A32-T35 VanDerWaalsContact O-N 3.13Å; A32-L36 WeakPolarHBondContact O-CB 3.4Å; A32-L36 WeakPolarHBondContact O-CD1 3.46Å; A32-L36 WeakPolarHBondContact O-CG 3.49Å; A32-L36 PolarHBondContact O-N 3.2Å; A32-W56 HydrophobicContact CB-CH2 3.7Å; A32-W56 HydrophobicContact CB-CZ3 4.2Å
33	E	81	Confident	79.5	Confident	106 Å²	106	58.7 Å²	58.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-57.9	-41.1	179.2	-73.5	177.8	170.9	0	0	112.6	L29 K30 T35 G37	L29-E33 WeakPolarHBondContact O-CG 3.27Å; L29-E33 PolarHBondContact O-N 3.46Å; K30-E33 PolarHBondContact O-N 2.95Å; E33-T35 VanDerWaalsContact C-N 3.34Å; E33-T35 PolarHBondContact O-N 3.47Å; E33-G37 PolarHBondContact O-N 2.62Å
34	A	76.8	Confident	79.6	Confident	75 Å²	75	58.2 Å²	58.2	62%	0.62	33%	0.329	S	S	*	.	H	α-helix	trans	-65	-38.4	177.5	0	0	0	0	0	112.3	K30 H31 A32	K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.41Å; H31-A34 PolarHBondContact O-N 3.3Å; A32-A34 VanDerWaalsContact C-N 3.32Å; A32-A34 PolarHBondContact O-N 2.87Å
35	T	73.3	Confident	80	Confident	28 Å²	28	55.5 Å²	55.5	17%	0.172	32%	0.317	C	S	.	.	H	α-helix	trans	-77.8	-35.1	-179.2	-51	0	0	0	0	111.6	H31 A32 E33 G37 S38 Q43 A44	H31-T35 PolarHBondContact O-N 3.38Å; H31-T35 PolarHBondContact O-OG1 3.42Å; A32-T35 PolarHBondContact O-N 3.34Å; A32-T35 VanDerWaalsContact O-N 3.13Å; E33-T35 VanDerWaalsContact C-N 3.34Å; E33-T35 PolarHBondContact O-N 3.47Å; T35-G37 PolarHBondContact O-N 2.83Å; T35-S38 VanDerWaalsContact O-CB 3.31Å; T35-S38 WeakPolarHBondContact O-CB 3.43Å; T35-S38 PolarHBondContact O-N 2.83Å; T35-S38 PolarHBondContact O-OG 3.19Å; T35-Q43 HydrophobicContact CG2-CB 4.12Å; T35-A44 HydrophobicContact CG2-CB 3.81Å
36	L	72.1	Confident	80.4	Confident	40 Å²	40	59.7 Å²	59.7	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-53.4	-40.9	170.7	-86.6	152.2	0	0	0	111.7	A32 S38 G39 L41 A44 H185	A32-L36 WeakPolarHBondContact O-CB 3.4Å; A32-L36 WeakPolarHBondContact O-CD1 3.46Å; A32-L36 WeakPolarHBondContact O-CG 3.49Å; A32-L36 PolarHBondContact O-N 3.2Å; L36-S38 PolarHBondContact O-N 2.9Å; L36-G39 PolarHBondContact O-N 3.09Å; L36-L41 HydrophobicContact CD2-CD2 3.35Å; L36-L41 HydrophobicContact CG-CD2 4.47Å; L36-A44 HydrophobicContact CG-CB 4.06Å; L36-H185 HydrophobicContact CD2-CB 4.23Å
37	G	67.9	Low	80.9	Confident	71 Å²	71	59.8 Å²	59.8	73%	0.732	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18	177	0	0	0	0	0	115.2	E33 T35 G39	E33-G37 PolarHBondContact O-N 2.62Å; T35-G37 PolarHBondContact O-N 2.83Å; G37-G39 PolarHBondContact O-N 3.02Å
38	S	63.7	Low	81.2	Confident	77 Å²	77	55 Å²	55	54%	0.538	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12	179.4	76	0	0	0	0	113.9	T35 L36 N40	T35-S38 VanDerWaalsContact O-CB 3.31Å; T35-S38 WeakPolarHBondContact O-CB 3.43Å; T35-S38 PolarHBondContact O-N 2.83Å; T35-S38 PolarHBondContact O-OG 3.19Å; L36-S38 PolarHBondContact O-N 2.9Å; S38-N40 VanDerWaalsContact C-N 3.31Å; S38-N40 PolarHBondContact O-N 3.39Å; S38-N40 PolarHBondContact OG-N 2.77Å
39	G	68.4	Low	81.6	Confident	65 Å²	65	64.2 Å²	64.2	67%	0.67	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-9.4	-177.1	0	0	0	0	0	114.7	L36 G37 L41	L36-G39 PolarHBondContact O-N 3.09Å; G37-G39 PolarHBondContact O-N 3.02Å; G39-L41 PolarHBondContact O-N 2.88Å
40	N	78.5	Confident	82	Confident	61 Å²	61	67 Å²	67	33%	0.326	40%	0.398	S	S	.	.			trans	-97.8	83.1	175.9	-165	-17.5	0	0	0	112	S38 R42 Q43 A44	S38-N40 VanDerWaalsContact C-N 3.31Å; S38-N40 PolarHBondContact O-N 3.39Å; S38-N40 PolarHBondContact OG-N 2.77Å; N40-R42 PolarHBondContact O-N 2.96Å; N40-R42 VanDerWaalsContact O-N 3.15Å; N40-R42 PolarHBondContact OD1-N 3.25Å; N40-Q43 HydrophobicContact CB-CB 4.33Å; N40-Q43 HydrophobicContact CB-CG 4.41Å; N40-Q43 PolarHBondContact ND2-OE1 3.2Å; N40-Q43 PolarHBondContact O-N 2.77Å; N40-Q43 VanDerWaalsContact O-N 3.14Å; N40-Q43 PolarHBondContact OD1-N 2.96Å; N40-A44 PolarHBondContact O-N 3.5Å
41	L	82.6	Confident	82.5	Confident	13 Å²	13	64.5 Å²	64.5	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-59.1	-26.4	179.3	-66.1	178.4	0	0	0	113.7	L36 G39 A44 V45 K184 H185 F188	L36-L41 HydrophobicContact CD2-CD2 3.35Å; L36-L41 HydrophobicContact CG-CD2 4.47Å; G39-L41 PolarHBondContact O-N 2.88Å; L41-A44 PolarHBondContact O-N 2.82Å; L41-V45 WeakPolarHBondContact O-CG1 3.43Å; L41-V45 PolarHBondContact O-N 3.35Å; L41-K184 HydrophobicContact CD1-CB 3.84Å; L41-K184 HydrophobicContact CD1-CD 3.58Å; L41-K184 HydrophobicContact CD1-CG 3.58Å; L41-H185 HydrophobicContact CD2-CB 4.33Å; L41-F188 HydrophobicContact CB-CD2 3.77Å; L41-F188 HydrophobicContact CB-CE2 4.01Å
42	R	83.5	Confident	83.1	Confident	82 Å²	82	63.4 Å²	63.4	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-68.6	-41.3	177.6	-68	-169.8	179.1	-70.1	-5.2	111.5	N40 A44 V45 M46 F188 D215	N40-R42 PolarHBondContact O-N 2.96Å; N40-R42 VanDerWaalsContact O-N 3.15Å; N40-R42 PolarHBondContact OD1-N 3.25Å; R42-A44 VanDerWaalsContact C-N 3.29Å; R42-V45 WeakPolarHBondContact O-CG2 3.38Å; R42-V45 PolarHBondContact O-N 2.98Å; R42-M46 WeakPolarHBondContact O-CG 3.37Å; R42-F188 HydrophobicContact CG-CD2 3.77Å; R42-F188 HydrophobicContact CG-CE2 3.67Å; R42-F188 HydrophobicContact CG-CZ 4.39Å; R42-D215 PolarHBondContact NE-O 3.42Å
43	Q	84.3	Confident	83.9	Confident	112 Å²	112	66.5 Å²	66.5	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-67.2	-35.5	175	-73.9	176.1	-20.1	0	0	111.3	T35 N40 V45 M46	T35-Q43 HydrophobicContact CG2-CB 4.12Å; N40-Q43 HydrophobicContact CB-CB 4.33Å; N40-Q43 HydrophobicContact CB-CG 4.41Å; N40-Q43 PolarHBondContact ND2-OE1 3.2Å; N40-Q43 PolarHBondContact O-N 2.77Å; N40-Q43 VanDerWaalsContact O-N 3.14Å; N40-Q43 PolarHBondContact OD1-N 2.96Å; Q43-V45 PolarHBondContact O-N 3.36Å; Q43-M46 PolarHBondContact O-N 2.87Å
44	A	85.6	Confident	84.7	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.017	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-24.5	-179.8	0	0	0	0	0	114.1	T35 L36 N40 L41 R42 W56	T35-A44 HydrophobicContact CG2-CB 3.81Å; L36-A44 HydrophobicContact CG-CB 4.06Å; N40-A44 PolarHBondContact O-N 3.5Å; L41-A44 PolarHBondContact O-N 2.82Å; R42-A44 VanDerWaalsContact C-N 3.29Å; A44-W56 WeakPolarHBondContact O-CZ2 3.28Å
45	V	91.7	Very high	85.5	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.012	37%	0.368	C	S	.	.	H	α-helix	trans	-91.9	-13.9	-179.7	-61.4	0	0	0	0	114	L41 R42 Q43 W56 H185 F188 F189 E192 F193	L41-V45 WeakPolarHBondContact O-CG1 3.43Å; L41-V45 PolarHBondContact O-N 3.35Å; R42-V45 WeakPolarHBondContact O-CG2 3.38Å; R42-V45 PolarHBondContact O-N 2.98Å; Q43-V45 PolarHBondContact O-N 3.36Å; V45-W56 PolarHBondContact O-NE1 3.17Å; V45-W56 VanDerWaalsContact O-NE1 3.08Å; V45-H185 VanDerWaalsContact CG1-CD2 3.4Å; V45-H185 WeakPolarHBondContact CG1-CD2 3.31Å; V45-F188 HydrophobicContact CG1-CB 4.08Å; V45-F188 HydrophobicContact CG2-CB 4.1Å; V45-F189 HydrophobicContact CB-CB 4.24Å; V45-F189 HydrophobicContact CB-CD2 3.9Å; V45-F189 HydrophobicContact CG1-CB 3.81Å; V45-F189 HydrophobicContact CG1-CD2 4.05Å; V45-F189 HydrophobicContact CG1-CG 4.46Å; V45-E192 HydrophobicContact CG2-CB 4.29Å; V45-E192 HydrophobicContact CG2-CG 4.47Å; V45-F193 VanDerWaalsContact O-CE2 3.25Å; V45-F193 WeakPolarHBondContact O-CE2 3.34Å; V45-F193 WeakPolarHBondContact O-CZ 3.22Å
46	M	93.3	Very high	86.6	Confident	103 Å²	103	60.4 Å²	60.4	51%	0.507	36%	0.36	S	S	.	.	S	Bend	trans	-64.9	141.3	-178.8	-68.2	-179.6	69.6	0	0	110.5	R42 Q43 P48 W56	R42-M46 WeakPolarHBondContact O-CG 3.37Å; Q43-M46 PolarHBondContact O-N 2.87Å; M46-P48 WeakPolarHBondContact O-CD 3.24Å; M46-W56 WeakPolarHBondContact O-CZ2 3.33Å
47	L	95.1	Very high	87.8	Confident	60 Å²	60	58.5 Å²	58.5	31%	0.314	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-62.4	121.5	170.6	179.3	65.5	0	0	0	108.4	E51 L53 W56 F193	L47-E51 HydrophobicContact CD1-CB 3.82Å; L47-E51 HydrophobicContact CG-CB 4.44Å; L47-L53 HydrophobicContact CD2-CB 4.26Å; L47-L53 HydrophobicContact CD2-CD1 4.43Å; L47-W56 HydrophobicContact CD1-CB 3.4Å; L47-W56 HydrophobicContact CD1-CD2 4.47Å; L47-W56 HydrophobicContact CD1-CG 3.61Å; L47-F193 HydrophobicContact CB-CE1 4.16Å; L47-F193 HydrophobicContact CB-CZ 4.05Å
48	P	93.2	Very high	89.2	Confident	24 Å²	24	55.3 Å²	55.3	16%	0.156	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.8	153.2	176.4	-15.8	28.6	0	0	0	111.3	L28 M46 G50 E51 W56	L28-P48 HydrophobicContact CD2-CG 4.34Å; M46-P48 WeakPolarHBondContact O-CD 3.24Å; P48-G50 PolarHBondContact O-N 3.41Å; P48-E51 HydrophobicContact CB-CB 4.48Å; P48-E51 HydrophobicContact CB-CG 3.65Å; P48-E51 HydrophobicContact CG-CG 4.02Å; P48-E51 WeakPolarHBondContact O-CB 3.44Å; P48-E51 PolarHBondContact O-N 2.83Å; P48-W56 HydrophobicContact CG-CE3 4.48Å; P48-W56 HydrophobicContact CG-CH2 4.44Å; P48-W56 HydrophobicContact CG-CZ3 4.31Å
49	E	92.9	Very high	90.6	Very high	199 Å²	199	51.6 Å²	51.6	93%	0.93	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	128.3	-175.7	-172.9	177.1	-178.6	0	0	111.3	E51	E49-E51 VanDerWaalsContact C-N 3.31Å
50	G	94.1	Very high	92	Very high	82 Å²	82	48.6 Å²	48.6	85%	0.845	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-6.2	179.7	0	0	0	0	0	114.9	P48	P48-G50 PolarHBondContact O-N 3.41Å
51	E	94.3	Very high	92.9	Very high	55 Å²	55	45.7 Å²	45.7	26%	0.257	24%	0.244	S	C	.	.			trans	-82.5	152.7	-176.8	-62.6	-59.5	159.5	0	0	113.6	H24 L28 L47 P48 E49	H24-E51 IonicContact CE1-OE2 2.68Å; H24-E51 PolarHBondContact CE1-OE2 3.42Å; H24-E51 IonicContact NE2-OE1 3.34Å; H24-E51 IonicContact NE2-OE2 2.64Å; H24-E51 PolarHBondContact NE2-OE2 2.91Å; L28-E51 HydrophobicContact CD2-CB 4.41Å; L28-E51 HydrophobicContact CD2-CG 3.75Å; L47-E51 HydrophobicContact CD1-CB 3.82Å; L47-E51 HydrophobicContact CG-CB 4.44Å; P48-E51 HydrophobicContact CB-CB 4.48Å; P48-E51 HydrophobicContact CB-CG 3.65Å; P48-E51 HydrophobicContact CG-CG 4.02Å; P48-E51 WeakPolarHBondContact O-CB 3.44Å; P48-E51 PolarHBondContact O-N 2.83Å; E49-E51 VanDerWaalsContact C-N 3.31Å
52	D	94.1	Very high	93.5	Very high	74 Å²	74	45.6 Å²	45.6	40%	0.396	24%	0.244	S	C	.	.			trans	-76.5	130.6	174.3	-179.4	-97.6	0	0	0	111.3	N54 E55 W56	D52-N54 PolarHBondContact O-N 3.19Å; D52-N54 WeakPolarHBondContact OD1-CA 3.34Å; D52-N54 VanDerWaalsContact OD1-CB 3.28Å; D52-N54 WeakPolarHBondContact OD1-CB 3.28Å; D52-N54 PolarHBondContact OD1-N 3.01Å; D52-E55 HydrophobicContact CB-CB 4.02Å; D52-E55 PolarHBondContact O-N 3.22Å; D52-E55 PolarHBondContact OD1-N 3Å; D52-W56 WeakPolarHBondContact O-CB 3.44Å; D52-W56 PolarHBondContact O-N 3.13Å
53	L	96.2	Very high	94	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-42.7	179.7	176	62.3	0	0	0	112.1	L47 W56 I57 M145 F193	L47-L53 HydrophobicContact CD2-CB 4.26Å; L47-L53 HydrophobicContact CD2-CD1 4.43Å; L53-W56 PolarHBondContact O-N 3.01Å; L53-I57 HydrophobicContact CD1-CD1 4.28Å; L53-I57 HydrophobicContact CD1-CG1 4.05Å; L53-I57 HydrophobicContact CG-CG1 4.38Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.33Å; L53-I57 PolarHBondContact O-N 3.29Å; L53-M145 HydrophobicContact CD2-CE 4.31Å; L53-M145 HydrophobicContact CG-CE 4.43Å; L53-F193 HydrophobicContact CD1-CD1 3.53Å; L53-F193 HydrophobicContact CD1-CE1 3.53Å; L53-F193 HydrophobicContact CD1-CG 4.31Å; L53-F193 HydrophobicContact CD1-CZ 4.32Å
54	N	96.7	Very high	94.6	Very high	47 Å²	47	37.2 Å²	37.2	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-70	-38.6	-176.6	-63.7	-42.9	0	0	0	111.1	D52 W56 I57 A58 F140 F144	D52-N54 PolarHBondContact O-N 3.19Å; D52-N54 WeakPolarHBondContact OD1-CA 3.34Å; D52-N54 VanDerWaalsContact OD1-CB 3.28Å; D52-N54 WeakPolarHBondContact OD1-CB 3.28Å; D52-N54 PolarHBondContact OD1-N 3.01Å; N54-W56 VanDerWaalsContact C-N 3.34Å; N54-I57 PolarHBondContact O-N 3.47Å; N54-A58 VanDerWaalsContact O-CB 3.28Å; N54-A58 WeakPolarHBondContact O-CB 3.45Å; N54-A58 PolarHBondContact O-N 2.94Å; N54-F140 HydrophobicContact CB-CB 4.04Å; N54-F140 HydrophobicContact CB-CD1 4.14Å; N54-F140 HydrophobicContact CB-CD2 3.5Å; N54-F140 VanDerWaalsContact CB-CD2 3.5Å; N54-F140 HydrophobicContact CB-CE2 3.95Å; N54-F140 HydrophobicContact CB-CG 3.61Å; N54-F140 HydrophobicContact CB-CZ 4.44Å; N54-F144 HydrophobicContact CB-CD1 3.64Å; N54-F144 HydrophobicContact CB-CE1 3.54Å; N54-F144 HydrophobicContact CB-CZ 4.35Å; N54-F144 WeakPolarHBondContact O-CE1 3.5Å; N54-F144 VanDerWaalsContact O-CZ 3.25Å; N54-F144 WeakPolarHBondContact O-CZ 3.38Å; N54-F144 VanDerWaalsContact OD1-CD1 3.29Å; N54-F144 WeakPolarHBondContact OD1-CD1 3.37Å
55	E	94.9	Very high	95.2	Very high	33 Å²	33	37.1 Å²	37.1	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-43.9	173.7	-162.1	170.5	-173	0	0	111.4	H24 Q25 L28 D52 I57 A58 V59 F140	H24-E55 IonicContact CE1-OE2 3.54Å; H24-E55 PolarHBondContact CE1-OE2 3.49Å; H24-E55 IonicContact CG-OE1 3.81Å; H24-E55 IonicContact ND1-OE1 3.58Å; H24-E55 PolarHBondContact ND1-OE1 3.35Å; H24-E55 IonicContact ND1-OE2 2.72Å; H24-E55 PolarHBondContact ND1-OE2 3.32Å; Q25-E55 HydrophobicContact CG-CG 3.62Å; Q25-E55 WeakPolarHBondContact CG-OE1 3.49Å; Q25-E55 PolarHBondContact N-OE1 3.46Å; L28-E55 HydrophobicContact CD1-CB 4.37Å; L28-E55 HydrophobicContact CD1-CG 3.83Å; D52-E55 HydrophobicContact CB-CB 4.02Å; D52-E55 PolarHBondContact O-N 3.22Å; D52-E55 PolarHBondContact OD1-N 3Å; E55-I57 PolarHBondContact O-N 3.26Å; E55-A58 WeakPolarHBondContact O-CB 3.38Å; E55-A58 PolarHBondContact O-N 2.88Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 3.43Å; E55-F140 HydrophobicContact CB-CE2 3.98Å; E55-F140 HydrophobicContact CB-CZ 4.32Å
56	W	96	Very high	95.4	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-44.6	174.9	-174.5	-121.9	0	0	0	113.1	L28 A32 A44 V45 M46 L47 P48 D52 L53 N54 A58 N60 F189 F193	L28-W56 HydrophobicContact CB-CE3 4.28Å; L28-W56 HydrophobicContact CB-CZ3 4.23Å; L28-W56 HydrophobicContact CD2-CE3 4.05Å; L28-W56 HydrophobicContact CD2-CZ3 4.24Å; A32-W56 HydrophobicContact CB-CH2 3.7Å; A32-W56 HydrophobicContact CB-CZ3 4.2Å; A44-W56 WeakPolarHBondContact O-CZ2 3.28Å; V45-W56 PolarHBondContact O-NE1 3.17Å; V45-W56 VanDerWaalsContact O-NE1 3.08Å; M46-W56 WeakPolarHBondContact O-CZ2 3.33Å; L47-W56 HydrophobicContact CD1-CB 3.4Å; L47-W56 HydrophobicContact CD1-CD2 4.47Å; L47-W56 HydrophobicContact CD1-CG 3.61Å; P48-W56 HydrophobicContact CG-CE3 4.48Å; P48-W56 HydrophobicContact CG-CH2 4.44Å; P48-W56 HydrophobicContact CG-CZ3 4.31Å; D52-W56 WeakPolarHBondContact O-CB 3.44Å; D52-W56 PolarHBondContact O-N 3.13Å; L53-W56 PolarHBondContact O-N 3.01Å; N54-W56 VanDerWaalsContact C-N 3.34Å; W56-A58 VanDerWaalsContact C-N 3.33Å; W56-A58 PolarHBondContact O-N 3.39Å; W56-N60 VanDerWaalsContact CD2-ND2 3.3Å; W56-N60 VanDerWaalsContact CE2-ND2 3.28Å; W56-N60 WeakPolarHBondContact CZ2-ND2 3.45Å; W56-N60 PolarHBondContact O-N 3.11Å; W56-N60 PolarHBondContact O-ND2 3.37Å; W56-F189 AromaticContact CD1-CE2 3.95Å; W56-F189 AromaticContact NE1-CE2 3.54Å; W56-F193 AromaticContact CD1-CE2 3.68Å; W56-F193 AromaticContact CD1-CZ 3.49Å; W56-F193 VanDerWaalsContact CD1-CZ 3.49Å; W56-F193 AromaticContact NE1-CE2 3.65Å; W56-F193 AromaticContact NE1-CZ 3.62Å
57	I	97.7	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-40.8	173.9	-65.3	-52.3	0	0	0	111.1	L53 N54 E55 T61 F144 M145 A148 F189 F193 L195	L53-I57 HydrophobicContact CD1-CD1 4.28Å; L53-I57 HydrophobicContact CD1-CG1 4.05Å; L53-I57 HydrophobicContact CG-CG1 4.38Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.33Å; L53-I57 PolarHBondContact O-N 3.29Å; N54-I57 PolarHBondContact O-N 3.47Å; E55-I57 PolarHBondContact O-N 3.26Å; I57-T61 VanDerWaalsContact O-CB 3.27Å; I57-T61 WeakPolarHBondContact O-CB 3.32Å; I57-T61 PolarHBondContact O-N 3Å; I57-T61 PolarHBondContact O-OG1 2.98Å; I57-F144 HydrophobicContact CB-CE1 3.99Å; I57-F144 HydrophobicContact CB-CZ 4.11Å; I57-F144 HydrophobicContact CG2-CE1 3.93Å; I57-F144 HydrophobicContact CG2-CZ 3.9Å; I57-M145 HydrophobicContact CG1-CE 4.12Å; I57-A148 HydrophobicContact CG2-CB 3.7Å; I57-F189 HydrophobicContact CD1-CE1 3.53Å; I57-F189 HydrophobicContact CD1-CZ 3.43Å; I57-F189 VanDerWaalsContact CD1-CZ 3.43Å; I57-F193 HydrophobicContact CD1-CB 3.97Å; I57-F193 HydrophobicContact CD1-CD1 4.45Å; I57-F193 HydrophobicContact CD1-CD2 3.59Å; I57-F193 HydrophobicContact CD1-CE2 4.18Å; I57-F193 HydrophobicContact CD1-CG 3.74Å; I57-L195 HydrophobicContact CD1-CD1 3.74Å; I57-L195 HydrophobicContact CD1-CD2 4.22Å
58	A	96.3	Very high	95.6	Very high	3 Å²	3	32 Å²	32	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-51.5	-178.8	0	0	0	0	0	111.3	N54 E55 W56 N60 T61 V62 F132 F140 F144	N54-A58 VanDerWaalsContact O-CB 3.28Å; N54-A58 WeakPolarHBondContact O-CB 3.45Å; N54-A58 PolarHBondContact O-N 2.94Å; E55-A58 WeakPolarHBondContact O-CB 3.38Å; E55-A58 PolarHBondContact O-N 2.88Å; W56-A58 VanDerWaalsContact C-N 3.33Å; W56-A58 PolarHBondContact O-N 3.39Å; A58-N60 PolarHBondContact O-N 3.29Å; A58-T61 PolarHBondContact O-N 2.61Å; A58-V62 WeakPolarHBondContact O-CG2 3.43Å; A58-V62 PolarHBondContact O-N 2.94Å; A58-F132 HydrophobicContact CB-CD1 3.85Å; A58-F132 HydrophobicContact CB-CE1 4.12Å; A58-F140 HydrophobicContact CB-CE1 3.7Å; A58-F140 HydrophobicContact CB-CZ 3.76Å; A58-F144 HydrophobicContact CB-CE2 4.08Å; A58-F144 HydrophobicContact CB-CZ 3.86Å
59	V	94.3	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-50.7	178.9	170	0	0	0	0	111.1	I19 Q25 L28 L29 E55 T61 V62 D63	I19-V59 HydrophobicContact CD1-CB 4.49Å; I19-V59 HydrophobicContact CD1-CG1 4.17Å; I19-V59 HydrophobicContact CD1-CG2 4.43Å; Q25-V59 HydrophobicContact CB-CG2 3.62Å; Q25-V59 HydrophobicContact CG-CG2 3.79Å; Q25-V59 WeakPolarHBondContact O-CG2 3.46Å; L28-V59 HydrophobicContact CB-CG1 4.4Å; L28-V59 HydrophobicContact CB-CG2 4.2Å; L28-V59 HydrophobicContact CD1-CG2 4.39Å; L29-V59 HydrophobicContact CB-CG1 3.82Å; L29-V59 HydrophobicContact CD1-CG1 4.08Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 3.43Å; V59-T61 PolarHBondContact O-N 3.14Å; V59-V62 PolarHBondContact O-N 3.06Å; V59-D63 PolarHBondContact O-N 3.29Å
60	N	95.8	Very high	95.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-68.9	-33.5	-179.2	-77.7	-85.1	0	0	0	112.3	W56 A58 V62 D63 F64 F189	W56-N60 VanDerWaalsContact CD2-ND2 3.3Å; W56-N60 VanDerWaalsContact CE2-ND2 3.28Å; W56-N60 WeakPolarHBondContact CZ2-ND2 3.45Å; W56-N60 PolarHBondContact O-N 3.11Å; W56-N60 PolarHBondContact O-ND2 3.37Å; A58-N60 PolarHBondContact O-N 3.29Å; N60-V62 VanDerWaalsContact C-N 3.33Å; N60-V62 PolarHBondContact O-N 3.1Å; N60-D63 PolarHBondContact O-N 2.98Å; N60-F64 HydrophobicContact CB-CD2 4.37Å; N60-F64 HydrophobicContact CB-CE2 3.92Å; N60-F64 WeakPolarHBondContact O-CD2 3.46Å; N60-F64 WeakPolarHBondContact O-CG 3.43Å; N60-F64 PolarHBondContact O-N 2.98Å; N60-F189 HydrophobicContact CB-CD1 4.38Å; N60-F189 HydrophobicContact CB-CD2 4.08Å; N60-F189 HydrophobicContact CB-CE1 3.77Å; N60-F189 HydrophobicContact CB-CE2 3.45Å; N60-F189 VanDerWaalsContact CB-CE2 3.45Å; N60-F189 HydrophobicContact CB-CZ 3.27Å; N60-F189 WeakPolarHBondContact ND2-CE2 3.31Å
61	T	97.5	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-41.6	174.9	-60	0	0	0	0	111.3	I57 A58 V59 F65 L126 F132 I151 L152	I57-T61 VanDerWaalsContact O-CB 3.27Å; I57-T61 WeakPolarHBondContact O-CB 3.32Å; I57-T61 PolarHBondContact O-N 3Å; I57-T61 PolarHBondContact O-OG1 2.98Å; A58-T61 PolarHBondContact O-N 2.61Å; V59-T61 PolarHBondContact O-N 3.14Å; T61-F65 WeakPolarHBondContact O-CB 3.47Å; T61-F65 PolarHBondContact O-N 3.39Å; T61-L126 HydrophobicContact CG2-CD2 4.16Å; T61-F132 HydrophobicContact CG2-CE1 4.35Å; T61-F132 HydrophobicContact CG2-CZ 4.38Å; T61-I151 HydrophobicContact CG2-CB 4.3Å; T61-I151 HydrophobicContact CG2-CG2 3.64Å; T61-L152 HydrophobicContact CG2-CD2 4.31Å; T61-L152 HydrophobicContact CG2-CG 4.46Å
62	V	95.9	Very high	96.1	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-44.3	174.7	175.5	0	0	0	0	111	N18 I19 A58 V59 N60 F65 N66 L126	N18-V62 HydrophobicContact CB-CG1 4.18Å; I19-V62 HydrophobicContact CD1-CB 4.13Å; I19-V62 HydrophobicContact CD1-CG1 4.05Å; I19-V62 HydrophobicContact CG1-CB 4.47Å; I19-V62 HydrophobicContact CG1-CG1 4.12Å; A58-V62 WeakPolarHBondContact O-CG2 3.43Å; A58-V62 PolarHBondContact O-N 2.94Å; V59-V62 PolarHBondContact O-N 3.06Å; N60-V62 VanDerWaalsContact C-N 3.33Å; N60-V62 PolarHBondContact O-N 3.1Å; V62-F65 PolarHBondContact O-N 2.95Å; V62-N66 PolarHBondContact O-N 3.2Å; V62-N66 PolarHBondContact O-ND2 3.03Å; V62-L126 HydrophobicContact CG2-CD1 4.16Å; V62-L126 HydrophobicContact CG2-CD2 3.92Å; V62-L126 HydrophobicContact CG2-CG 4.47Å
63	D	94.2	Very high	96.2	Very high	18 Å²	18	19.9 Å²	19.9	10%	0.096	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-50.2	177.1	179.5	40.5	0	0	0	111.7	L29 V59 N60 F65 N66 Q67 H185	L29-D63 HydrophobicContact CD1-CB 4.03Å; V59-D63 PolarHBondContact O-N 3.29Å; N60-D63 PolarHBondContact O-N 2.98Å; D63-F65 VanDerWaalsContact C-N 3.34Å; D63-F65 PolarHBondContact O-N 2.86Å; D63-N66 PolarHBondContact O-N 2.8Å; D63-N66 VanDerWaalsContact O-N 3.14Å; D63-Q67 WeakPolarHBondContact O-CG 3.48Å; D63-Q67 PolarHBondContact O-N 3.19Å; D63-Q67 PolarHBondContact OD1-NE2 3.5Å; D63-Q67 PolarHBondContact OD2-NE2 2.9Å; D63-H185 IonicContact OD2-CE1 3.85Å
64	F	97.1	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-41.2	176.9	-67.8	-50.7	0	0	0	113.1	N60 N66 Q67 I68 L152 H185 F186 F189	N60-F64 HydrophobicContact CB-CD2 4.37Å; N60-F64 HydrophobicContact CB-CE2 3.92Å; N60-F64 WeakPolarHBondContact O-CD2 3.46Å; N60-F64 WeakPolarHBondContact O-CG 3.43Å; N60-F64 PolarHBondContact O-N 2.98Å; F64-N66 VanDerWaalsContact C-N 3.33Å; F64-N66 PolarHBondContact O-N 3.07Å; F64-Q67 PolarHBondContact O-N 3.42Å; F64-I68 WeakPolarHBondContact O-CB 3.31Å; F64-I68 WeakPolarHBondContact O-CD1 3.2Å; F64-I68 WeakPolarHBondContact O-CG1 3.5Å; F64-I68 PolarHBondContact O-N 2.92Å; F64-L152 HydrophobicContact CD2-CD2 3.96Å; F64-H185 HydrophobicContact CE1-CB 4.25Å; F64-H185 AromaticContact CE1-CE1 3.62Å; F64-H185 AromaticContact CE1-CG 3.7Å; F64-H185 AromaticContact CE1-ND1 3.31Å; F64-H185 VanDerWaalsContact CE1-ND1 3.31Å; F64-H185 WeakPolarHBondContact CE1-ND1 3.28Å; F64-H185 AromaticContact CZ-CE1 3.64Å; F64-H185 AromaticContact CZ-ND1 3.78Å; F64-H185 AromaticContact CZ-NE2 3.84Å; F64-F186 HydrophobicContact CB-CD2 3.99Å; F64-F186 HydrophobicContact CB-CE2 4.41Å; F64-F186 HydrophobicContact CD1-CB 3.94Å; F64-F186 AromaticContact CD1-CD2 3.78Å; F64-F186 HydrophobicContact CD1-CD2 3.78Å; F64-F186 HydrophobicContact CD1-CG 4.37Å; F64-F186 AromaticContact CD2-CD2 3.96Å; F64-F186 HydrophobicContact CD2-CD2 3.96Å; F64-F186 HydrophobicContact CD2-CE2 4.48Å; F64-F186 HydrophobicContact CE1-CB 3.81Å; F64-F186 HydrophobicContact CE1-CD2 4.27Å; F64-F186 HydrophobicContact CE2-CD2 4.45Å; F64-F186 AromaticContact CG-CD2 3.64Å; F64-F186 HydrophobicContact CG-CD2 3.64Å; F64-F186 HydrophobicContact CG-CE2 4.36Å; F64-F186 HydrophobicContact CZ-CB 4.4Å; F64-F189 HydrophobicContact CD2-CD1 4.48Å; F64-F189 HydrophobicContact CE2-CB 3.74Å; F64-F189 AromaticContact CE2-CD1 3.54Å; F64-F189 HydrophobicContact CE2-CD1 3.54Å; F64-F189 HydrophobicContact CE2-CD2 4.26Å; F64-F189 HydrophobicContact CE2-CE1 4.18Å; F64-F189 AromaticContact CE2-CG 3.57Å; F64-F189 HydrophobicContact CE2-CG 3.57Å; F64-F189 HydrophobicContact CZ-CB 3.6Å; F64-F189 HydrophobicContact CZ-CD1 4.28Å; F64-F189 HydrophobicContact CZ-CD2 4.43Å; F64-F189 AromaticContact CZ-CG 3.87Å; F64-F189 HydrophobicContact CZ-CG 3.87Å
65	F	97.8	Very high	96.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.1	-48.8	174.3	166	-104.3	0	0	0	111.1	T61 V62 D63 Q67 I68 N69 M119 V122 Q123 L126 L155	T61-F65 WeakPolarHBondContact O-CB 3.47Å; T61-F65 PolarHBondContact O-N 3.39Å; V62-F65 PolarHBondContact O-N 2.95Å; D63-F65 VanDerWaalsContact C-N 3.34Å; D63-F65 PolarHBondContact O-N 2.86Å; F65-Q67 PolarHBondContact O-N 2.66Å; F65-I68 PolarHBondContact O-N 2.77Å; F65-N69 WeakPolarHBondContact O-CB 3.36Å; F65-N69 PolarHBondContact O-N 2.96Å; F65-M119 HydrophobicContact CD2-SD 4.01Å; F65-M119 HydrophobicContact CE2-CB 4.22Å; F65-M119 HydrophobicContact CE2-SD 3.7Å; F65-V122 HydrophobicContact CB-CG1 4.21Å; F65-V122 HydrophobicContact CD2-CB 3.89Å; F65-V122 HydrophobicContact CD2-CG1 3.39Å; F65-V122 HydrophobicContact CE2-CB 3.97Å; F65-V122 HydrophobicContact CE2-CG1 3.9Å; F65-V122 HydrophobicContact CG-CG1 3.88Å; F65-Q123 VanDerWaalsContact CE1-OE1 3.27Å; F65-Q123 HydrophobicContact CZ-CB 4.09Å; F65-L126 HydrophobicContact CB-CD1 3.92Å; F65-L126 HydrophobicContact CD1-CD1 3.74Å; F65-L126 HydrophobicContact CE1-CD1 4.41Å; F65-L126 HydrophobicContact CG-CD1 3.82Å; F65-L155 HydrophobicContact CB-CD1 4.2Å; F65-L155 HydrophobicContact CD2-CD2 4.32Å
66	N	96	Very high	96.3	Very high	22 Å²	22	19 Å²	19	12%	0.118	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-44.4	179.2	-74.7	-38.4	0	0	0	112.1	V62 D63 F64 N69 M70	V62-N66 PolarHBondContact O-N 3.2Å; V62-N66 PolarHBondContact O-ND2 3.03Å; D63-N66 PolarHBondContact O-N 2.8Å; D63-N66 VanDerWaalsContact O-N 3.14Å; F64-N66 VanDerWaalsContact C-N 3.33Å; F64-N66 PolarHBondContact O-N 3.07Å; N66-N69 PolarHBondContact O-N 3.46Å; N66-M70 WeakPolarHBondContact O-CG 3.33Å; N66-M70 PolarHBondContact O-N 3.3Å
67	Q	95.4	Very high	96.3	Very high	36 Å²	36	24.9 Å²	24.9	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-47.8	178.5	-70.7	-179	29.8	0	0	112.2	D63 F64 F65 N69 M70 L71 S182	D63-Q67 WeakPolarHBondContact O-CG 3.48Å; D63-Q67 PolarHBondContact O-N 3.19Å; D63-Q67 PolarHBondContact OD1-NE2 3.5Å; D63-Q67 PolarHBondContact OD2-NE2 2.9Å; F64-Q67 PolarHBondContact O-N 3.42Å; F65-Q67 PolarHBondContact O-N 2.66Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-N69 PolarHBondContact O-N 3.4Å; Q67-M70 HydrophobicContact CG-CE 4.44Å; Q67-M70 PolarHBondContact O-N 2.89Å; Q67-L71 WeakPolarHBondContact O-CB 3.25Å; Q67-L71 WeakPolarHBondContact O-CG 3.46Å; Q67-L71 PolarHBondContact O-N 3.39Å; Q67-S182 WeakPolarHBondContact CB-OG 3.15Å; Q67-S182 PolarHBondContact OE1-OG 3.45Å
68	I	97.6	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-40.4	179.4	-65	166.3	0	0	0	110.4	F64 F65 M70 L71 Y72 M119 L155 V158 Y159	F64-I68 WeakPolarHBondContact O-CB 3.31Å; F64-I68 WeakPolarHBondContact O-CD1 3.2Å; F64-I68 WeakPolarHBondContact O-CG1 3.5Å; F64-I68 PolarHBondContact O-N 2.92Å; F65-I68 PolarHBondContact O-N 2.77Å; I68-M70 VanDerWaalsContact C-N 3.35Å; I68-M70 PolarHBondContact O-N 3.5Å; I68-L71 PolarHBondContact O-N 3.41Å; I68-Y72 WeakPolarHBondContact O-CB 3.25Å; I68-Y72 PolarHBondContact O-N 2.93Å; I68-M119 HydrophobicContact CB-CE 4.44Å; I68-M119 HydrophobicContact CG2-CE 3.62Å; I68-L155 HydrophobicContact CD1-CB 3.62Å; I68-L155 HydrophobicContact CD1-CD1 4.2Å; I68-L155 HydrophobicContact CD1-CD2 4.09Å; I68-L155 HydrophobicContact CD1-CG 4.17Å; I68-V158 HydrophobicContact CG2-CB 3.72Å; I68-V158 HydrophobicContact CG2-CG1 3.57Å; I68-V158 HydrophobicContact CG2-CG2 4.25Å; I68-Y159 HydrophobicContact CD1-CD2 3.97Å; I68-Y159 HydrophobicContact CD1-CE2 3.43Å; I68-Y159 VanDerWaalsContact CD1-CE2 3.43Å; I68-Y159 HydrophobicContact CG1-CD2 4.2Å; I68-Y159 HydrophobicContact CG1-CE1 4.28Å; I68-Y159 HydrophobicContact CG1-CE2 3.47Å; I68-Y159 VanDerWaalsContact CG1-CE2 3.47Å; I68-Y159 WeakPolarHBondContact CG1-OH 3.41Å
69	N	95.5	Very high	96.3	Very high	14 Å²	14	28 Å²	28	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-38.3	178.9	-174.9	64.1	0	0	0	112.1	F13 F65 N66 Q67 G73 M119	F13-N69 WeakPolarHBondContact CD1-ND2 3.32Å; F13-N69 WeakPolarHBondContact CE1-ND2 3.4Å; F13-N69 VanDerWaalsContact CG-ND2 3.26Å; F13-N69 WeakPolarHBondContact CG-ND2 3.49Å; F65-N69 WeakPolarHBondContact O-CB 3.36Å; F65-N69 PolarHBondContact O-N 2.96Å; N66-N69 PolarHBondContact O-N 3.46Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-N69 PolarHBondContact O-N 3.4Å; N69-G73 PolarHBondContact O-N 3.36Å; N69-M119 HydrophobicContact CB-CE 4.46Å; N69-M119 HydrophobicContact CB-SD 4.39Å
70	M	95.9	Very high	96.5	Very high	87 Å²	87	30.9 Å²	30.9	43%	0.429	17%	0.17	S	C	.	.	H	α-helix	trans	-65	-48.2	171.4	-72	-174.2	-66.4	0	0	112.1	P15 N66 Q67 I68 Y72 G73 T74	P15-M70 HydrophobicContact CG-SD 3.84Å; N66-M70 WeakPolarHBondContact O-CG 3.33Å; N66-M70 PolarHBondContact O-N 3.3Å; Q67-M70 HydrophobicContact CG-CE 4.44Å; Q67-M70 PolarHBondContact O-N 2.89Å; I68-M70 VanDerWaalsContact C-N 3.35Å; I68-M70 PolarHBondContact O-N 3.5Å; M70-Y72 PolarHBondContact O-N 3.14Å; M70-G73 WeakPolarHBondContact O-CA 3.29Å; M70-G73 PolarHBondContact O-N 2.86Å; M70-G73 VanDerWaalsContact O-N 3.17Å; M70-T74 PolarHBondContact O-N 3.19Å
71	L	95.8	Very high	96.6	Very high	22 Å²	22	36.7 Å²	36.7	12%	0.115	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-44.6	178.7	-75.3	169.6	0	0	0	112	Q67 I68 G73 T74 Y159 H178 L179	Q67-L71 WeakPolarHBondContact O-CB 3.25Å; Q67-L71 WeakPolarHBondContact O-CG 3.46Å; Q67-L71 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 3.41Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-T74 PolarHBondContact O-N 3.08Å; L71-T74 PolarHBondContact O-OG1 3.15Å; L71-Y159 HydrophobicContact CD1-CE1 4.03Å; L71-H178 HydrophobicContact CD2-CB 4.21Å; L71-L179 HydrophobicContact CD1-CD1 4.19Å; L71-L179 HydrophobicContact CD2-CB 4.43Å
72	Y	97.4	Very high	96.6	Very high	20 Å²	20	41.1 Å²	41.1	8%	0.078	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-37.2	176.4	-176.1	-109.5	0	0	0	111.3	I68 M70 T74 I75 T76 C79 P112 I115 V158	I68-Y72 WeakPolarHBondContact O-CB 3.25Å; I68-Y72 PolarHBondContact O-N 2.93Å; M70-Y72 PolarHBondContact O-N 3.14Å; Y72-T74 PolarHBondContact O-N 3.01Å; Y72-I75 HydrophobicContact CD2-CD1 3.92Å; Y72-I75 HydrophobicContact CD2-CG1 3.95Å; Y72-I75 HydrophobicContact CE2-CD1 4.14Å; Y72-I75 HydrophobicContact CE2-CG1 4.31Å; Y72-I75 VanDerWaalsContact O-CG1 3.26Å; Y72-I75 WeakPolarHBondContact O-CG1 3.21Å; Y72-I75 PolarHBondContact O-N 3.48Å; Y72-T76 HydrophobicContact CD1-CG2 4.05Å; Y72-T76 HydrophobicContact CE1-CG2 3.87Å; Y72-T76 WeakPolarHBondContact O-CG2 2.79Å; Y72-T76 PolarHBondContact O-N 2.77Å; Y72-C79 HydrophobicContact CE2-CB 4.02Å; Y72-C79 PolarHBondContact OH-SG 3.37Å; Y72-P112 WeakPolarHBondContact OH-CA 3.42Å; Y72-I115 HydrophobicContact CD1-CG2 3.51Å; Y72-I115 HydrophobicContact CD2-CD1 3.83Å; Y72-I115 HydrophobicContact CD2-CG2 4.38Å; Y72-I115 HydrophobicContact CE1-CB 4Å; Y72-I115 HydrophobicContact CE1-CD1 4.23Å; Y72-I115 HydrophobicContact CE1-CG2 3.46Å; Y72-I115 VanDerWaalsContact CE1-CG2 3.46Å; Y72-I115 HydrophobicContact CE2-CD1 3.3Å; Y72-I115 HydrophobicContact CE2-CG2 4.37Å; Y72-I115 HydrophobicContact CG-CG2 3.98Å; Y72-V158 HydrophobicContact CD2-CG1 4.37Å
73	G	96.8	Very high	96.7	Very high	37 Å²	37	43.4 Å²	43.4	38%	0.381	25%	0.25	S	S	.	.	H	α-helix	trans	-50.8	-38.3	175.3	0	0	0	0	0	113.7	N69 M70 L71 I75 T76	N69-G73 PolarHBondContact O-N 3.36Å; M70-G73 WeakPolarHBondContact O-CA 3.29Å; M70-G73 PolarHBondContact O-N 2.86Å; M70-G73 VanDerWaalsContact O-N 3.17Å; L71-G73 VanDerWaalsContact C-N 3.31Å; G73-I75 VanDerWaalsContact C-N 3.3Å; G73-I75 PolarHBondContact O-N 3.29Å; G73-T76 PolarHBondContact O-OG1 2.86Å; G73-T76 VanDerWaalsContact O-OG1 3.06Å
74	T	95.6	Very high	96.9	Very high	52 Å²	52	42.8 Å²	42.8	32%	0.319	25%	0.247	S	C	.	.	H	α-helix	trans	-70.6	-24	-179.2	70.8	0	0	0	0	113.6	M70 L71 Y72	M70-T74 PolarHBondContact O-N 3.19Å; L71-T74 PolarHBondContact O-N 3.08Å; L71-T74 PolarHBondContact O-OG1 3.15Å; Y72-T74 PolarHBondContact O-N 3.01Å
75	I	96	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-108.1	3.5	-176.1	64.5	153.7	0	0	0	114.3	Y72 G73 E77 F78 C79 I162 H166 V170 L173	Y72-I75 HydrophobicContact CD2-CD1 3.92Å; Y72-I75 HydrophobicContact CD2-CG1 3.95Å; Y72-I75 HydrophobicContact CE2-CD1 4.14Å; Y72-I75 HydrophobicContact CE2-CG1 4.31Å; Y72-I75 VanDerWaalsContact O-CG1 3.26Å; Y72-I75 WeakPolarHBondContact O-CG1 3.21Å; Y72-I75 PolarHBondContact O-N 3.48Å; G73-I75 VanDerWaalsContact C-N 3.3Å; G73-I75 PolarHBondContact O-N 3.29Å; I75-E77 PolarHBondContact O-N 3.27Å; I75-E77 VanDerWaalsContact O-N 3.11Å; I75-F78 HydrophobicContact CB-CD2 4.27Å; I75-F78 PolarHBondContact O-N 3.22Å; I75-C79 PolarHBondContact O-N 2.88Å; I75-C79 VanDerWaalsContact O-N 3.15Å; I75-I162 HydrophobicContact CD1-CD1 4.46Å; I75-I162 HydrophobicContact CD1-CG1 3.81Å; I75-I162 HydrophobicContact CD1-CG2 4.46Å; I75-H166 HydrophobicContact CD1-CB 3.6Å; I75-V170 HydrophobicContact CG2-CG2 3.89Å; I75-L173 HydrophobicContact CG2-CD1 4.03Å
76	T	97	Very high	96.9	Very high	76 Å²	76	49.3 Å²	49.3	47%	0.466	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.8	-176	50.2	0	0	0	0	113.7	Y72 G73 F78 C79	Y72-T76 HydrophobicContact CD1-CG2 4.05Å; Y72-T76 HydrophobicContact CE1-CG2 3.87Å; Y72-T76 WeakPolarHBondContact O-CG2 2.79Å; Y72-T76 PolarHBondContact O-N 2.77Å; G73-T76 PolarHBondContact O-OG1 2.86Å; G73-T76 VanDerWaalsContact O-OG1 3.06Å; T76-F78 VanDerWaalsContact C-N 3.28Å; T76-F78 PolarHBondContact O-N 3.32Å; T76-C79 PolarHBondContact O-N 3.36Å
77	E	95.9	Very high	97.1	Very high	124 Å²	124	48.3 Å²	48.3	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.2	176.9	67.4	-176.4	138.9	0	0	113.7	I75	I75-E77 PolarHBondContact O-N 3.27Å; I75-E77 VanDerWaalsContact O-N 3.11Å
78	F	97.4	Very high	97.2	Very high	64 Å²	64	47.2 Å²	47.2	28%	0.281	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-23.8	178	-50.2	-78.8	0	0	0	112.5	I75 T76 T80 S83 H166 L173	I75-F78 HydrophobicContact CB-CD2 4.27Å; I75-F78 PolarHBondContact O-N 3.22Å; T76-F78 VanDerWaalsContact C-N 3.28Å; T76-F78 PolarHBondContact O-N 3.32Å; F78-T80 PolarHBondContact O-N 3.4Å; F78-S83 PolarHBondContact O-OG 3.47Å; F78-H166 PolarHBondContact O-CE1 3.39Å; F78-L173 HydrophobicContact CE2-CD1 3.92Å; F78-L173 HydrophobicContact CE2-CD2 4.41Å; F78-L173 HydrophobicContact CE2-CG 4.36Å
79	C	98.3	Very high	97.1	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.027	28%	0.28	C	S	.	.			trans	-92.9	83.1	179.3	-166.3	0	0	0	0	110.9	Y72 I75 T76 H161 H166	Y72-C79 HydrophobicContact CE2-CB 4.02Å; Y72-C79 PolarHBondContact OH-SG 3.37Å; I75-C79 PolarHBondContact O-N 2.88Å; I75-C79 VanDerWaalsContact O-N 3.15Å; T76-C79 PolarHBondContact O-N 3.36Å; C79-H161 PolarHBondContact SG-NE2 3.19Å; C79-H161 VanDerWaalsContact SG-NE2 3.43Å; C79-H166 VanDerWaalsContact CB-NE2 3.32Å; C79-H166 WeakPolarHBondContact CB-NE2 3.27Å; C79-H166 PolarHBondContact SG-NE2 3.32Å
80	T	98.1	Very high	96.9	Very high	60 Å²	60	46.9 Å²	46.9	37%	0.368	28%	0.28	S	S	.	.			trans	-107.2	164.7	-178.6	70.5	0	0	0	0	111	F78 A82 S83 C84	F78-T80 PolarHBondContact O-N 3.4Å; T80-A82 PolarHBondContact O-N 2.92Å; T80-A82 PolarHBondContact OG1-N 3.28Å; T80-S83 PolarHBondContact N-OG 3.14Å; T80-S83 PolarHBondContact O-N 3.43Å; T80-S83 PolarHBondContact O-OG 3.4Å; T80-S83 PolarHBondContact OG1-N 3.27Å; T80-S83 PolarHBondContact OG1-OG 3.5Å; T80-C84 PolarHBondContact O-N 3.44Å
81	E	98.2	Very high	96.7	Very high	123 Å²	123	49.2 Å²	49.2	58%	0.575	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.1	173.7	-56.1	-161.3	156.6	0	0	112.8	P85 S110 P112	E81-P85 WeakPolarHBondContact O-CA 3.26Å; E81-P85 WeakPolarHBondContact O-CB 3.43Å; E81-S110 PolarHBondContact OE1-OG 3.29Å; E81-P112 HydrophobicContact CG-CG 4.14Å
82	A	97.8	Very high	96.5	Very high	93 Å²	93	58.5 Å²	58.5	77%	0.769	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-42.9	177	0	0	0	0	0	112.2	T80	T80-A82 PolarHBondContact O-N 2.92Å; T80-A82 PolarHBondContact OG1-N 3.28Å
83	S	97.2	Very high	96.5	Very high	59 Å²	59	61.6 Å²	61.6	41%	0.413	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.1	178.3	52.6	0	0	0	0	112.6	F78 T80	F78-S83 PolarHBondContact O-OG 3.47Å; T80-S83 PolarHBondContact N-OG 3.14Å; T80-S83 PolarHBondContact O-N 3.43Å; T80-S83 PolarHBondContact O-OG 3.4Å; T80-S83 PolarHBondContact OG1-N 3.27Å; T80-S83 PolarHBondContact OG1-OG 3.5Å
84	C	98.2	Very high	96.5	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.034	35%	0.348	C	S	.	.			trans	-132.1	68.2	-177.7	-56.9	0	0	0	0	111.2	T80 V86 S110 A111 H166	T80-C84 PolarHBondContact O-N 3.44Å; C84-V86 PolarHBondContact O-N 2.95Å; C84-V86 VanDerWaalsContact O-N 3.13Å; C84-S110 WeakPolarHBondContact O-CA 3.34Å; C84-S110 WeakPolarHBondContact O-CB 3.37Å; C84-A111 HydrophobicContact CB-CB 3.55Å; C84-A111 PolarHBondContact O-N 3.5Å; C84-H166 VanDerWaalsContact SG-CE1 3.54Å; C84-H166 PolarHBondContact SG-NE2 2.89Å
85	P	97.9	Very high	96.6	Very high	85 Å²	85	62.4 Å²	62.4	55%	0.552	34%	0.336	S	S	*	.	S	Bend	trans	-67	-15	-175.1	28.3	-36.8	0	0	0	113.7	E81 S110	E81-P85 WeakPolarHBondContact O-CA 3.26Å; E81-P85 WeakPolarHBondContact O-CB 3.43Å; P85-S110 VanDerWaalsContact O-CA 3.31Å; P85-S110 WeakPolarHBondContact O-CA 3.5Å; P85-S110 PolarHBondContact O-N 3.17Å
86	V	98	Very high	96.7	Very high	52 Å²	52	66 Å²	66	32%	0.315	35%	0.353	S	S	.	.	S	Bend	trans	-132.8	146.9	172.3	-63.9	0	0	0	0	109.9	C84 S88 E94 C109	C84-V86 PolarHBondContact O-N 2.95Å; C84-V86 VanDerWaalsContact O-N 3.13Å; V86-S88 PolarHBondContact O-N 3.24Å; V86-E94 HydrophobicContact CB-CG 4.47Å; V86-C109 WeakPolarHBondContact CA-O 3.48Å
87	M	98.5	Very high	96.8	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.331	C	S	.	.			trans	-73.8	113.8	167	-176.3	64.6	-180	0	0	109.7	Y95 C109 A111 Y114 I115 R157 H161	M87-Y95 HydrophobicContact CE-CD2 4.4Å; M87-Y95 HydrophobicContact CG-CD2 4Å; M87-Y95 HydrophobicContact CG-CG 4.47Å; M87-Y95 PolarHBondContact O-N 3.45Å; M87-C109 PolarHBondContact N-O 2.97Å; M87-C109 VanDerWaalsContact N-O 3.09Å; M87-A111 HydrophobicContact CB-CB 4.49Å; M87-A111 HydrophobicContact SD-CB 3.76Å; M87-Y114 HydrophobicContact CB-CD1 4.32Å; M87-Y114 HydrophobicContact CB-CD2 3.76Å; M87-Y114 HydrophobicContact CB-CG 3.66Å; M87-Y114 HydrophobicContact CE-CD1 4.03Å; M87-Y114 HydrophobicContact CE-CE1 4.31Å; M87-Y114 HydrophobicContact CG-CD1 3.6Å; M87-Y114 HydrophobicContact CG-CD2 3.81Å; M87-Y114 HydrophobicContact CG-CE1 4.12Å; M87-Y114 HydrophobicContact CG-CE2 4.29Å; M87-Y114 HydrophobicContact CG-CG 3.46Å; M87-Y114 VanDerWaalsContact CG-CG 3.46Å; M87-Y114 HydrophobicContact SD-CD1 4.01Å; M87-Y114 HydrophobicContact SD-CG 4.21Å; M87-I115 HydrophobicContact CE-CD1 4.25Å; M87-I115 HydrophobicContact CE-CG1 4.08Å; M87-I115 HydrophobicContact SD-CD1 4.14Å; M87-I115 HydrophobicContact SD-CG1 4.06Å; M87-R157 HydrophobicContact CE-CB 4.11Å; M87-R157 VanDerWaalsContact CE-O 3.31Å; M87-R157 WeakPolarHBondContact CE-O 3.27Å; M87-H161 HydrophobicContact CE-CB 3.58Å; M87-H161 HydrophobicContact SD-CB 4.1Å
88	S	97.9	Very high	96.8	Very high	13 Å²	13	57.4 Å²	57.4	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.9	-178.1	65	0	0	0	0	112.9	V86 Y93 H161	V86-S88 PolarHBondContact O-N 3.24Å; S88-Y93 CarbonylContact C-O 3.48Å; S88-Y93 WeakPolarHBondContact CA-O 3.26Å; S88-Y93 WeakPolarHBondContact CB-O 3.36Å; S88-H161 WeakPolarHBondContact O-CA 3.32Å; S88-H161 PolarHBondContact O-ND1 3.04Å
89	A	96.2	Very high	96.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	86.9	166.3	0	0	0	0	0	108.7	Y93 Y95 A160 P203	A89-Y93 PolarHBondContact N-O 2.89Å; A89-Y93 WeakPolarHBondContact O-CD2 3.4Å; A89-Y95 HydrophobicContact CB-CE2 3.84Å; A89-A160 HydrophobicContact CB-CB 3.55Å; A89-P203 HydrophobicContact CB-CB 3.73Å; A89-P203 HydrophobicContact CB-CG 4.35Å
90	G	91.7	Very high	96.1	Very high	7 Å²	7	57.7 Å²	57.7	7%	0.072	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-169.4	-173.6	0	0	0	0	0	112.7	R92 H164	G90-R92 VanDerWaalsContact C-N 3.3Å; G90-R92 PolarHBondContact O-N 3.12Å; G90-H164 WeakPolarHBondContact CA-ND1 2.92Å; G90-H164 VanDerWaalsContact N-CG 3.35Å
91	P	90.4	Very high	95.7	Very high	136 Å²	136	59.2 Å²	59.2	88%	0.883	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.7	-169.8	28.2	-34.6	0	0	0	114.6
92	R	92.6	Very high	95.3	Very high	216 Å²	216	60.1 Å²	60.1	82%	0.815	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-17	-171.8	-57.6	-174.1	-159.1	178.1	7.5	114.2	G90	G90-R92 VanDerWaalsContact C-N 3.3Å; G90-R92 PolarHBondContact O-N 3.12Å
93	Y	96.7	Very high	95	Very high	86 Å²	86	57.4 Å²	57.4	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	102.9	-171.3	-57.9	-82.3	0	0	0	109.6	S88 A89 A202 P203	S88-Y93 CarbonylContact C-O 3.48Å; S88-Y93 WeakPolarHBondContact CA-O 3.26Å; S88-Y93 WeakPolarHBondContact CB-O 3.36Å; A89-Y93 PolarHBondContact N-O 2.89Å; A89-Y93 WeakPolarHBondContact O-CD2 3.4Å; Y93-A202 HydrophobicContact CE1-CB 4.31Å; Y93-A202 WeakPolarHBondContact OH-CB 3.41Å; Y93-P203 HydrophobicContact CD1-CG 3.83Å; Y93-P203 HydrophobicContact CD2-CB 3.77Å; Y93-P203 HydrophobicContact CD2-CG 3.77Å; Y93-P203 HydrophobicContact CE1-CG 4.04Å; Y93-P203 HydrophobicContact CE2-CB 3.98Å; Y93-P203 HydrophobicContact CE2-CG 3.99Å; Y93-P203 HydrophobicContact CG-CB 4.15Å; Y93-P203 HydrophobicContact CG-CG 3.68Å
94	E	97.5	Very high	94.7	Very high	84 Å²	84	62.5 Å²	62.5	39%	0.393	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.8	171.8	-170.2	-176.3	134.6	0	0	108.9	V86 H96 K108	V86-E94 HydrophobicContact CB-CG 4.47Å; E94-H96 IonicContact OE1-CD2 3.42Å; E94-H96 PolarHBondContact OE1-CD2 3.04Å; E94-H96 IonicContact OE1-CE1 2.92Å; E94-H96 IonicContact OE1-NE2 2.72Å; E94-H96 PolarHBondContact OE1-NE2 3.47Å; E94-K108 WeakPolarHBondContact OE1-CD 3.42Å; E94-K108 WeakPolarHBondContact OE1-CE 3.35Å; E94-K108 IonicContact OE1-NZ 3.48Å; E94-K108 PolarHBondContact OE1-NZ 3.06Å; E94-K108 IonicContact OE2-NZ 2.91Å; E94-K108 PolarHBondContact OE2-NZ 3.42Å
95	Y	97.9	Very high	94.5	Very high	21 Å²	21	70.6 Å²	70.6	8%	0.082	37%	0.366	C	S	.	.			trans	-109.9	122.6	-179.6	-57.9	-61	0	0	0	110.9	M87 A89 R157 P203	M87-Y95 HydrophobicContact CE-CD2 4.4Å; M87-Y95 HydrophobicContact CG-CD2 4Å; M87-Y95 HydrophobicContact CG-CG 4.47Å; M87-Y95 PolarHBondContact O-N 3.45Å; A89-Y95 HydrophobicContact CB-CE2 3.84Å; Y95-R157 HydrophobicContact CD1-CG 4.03Å; Y95-R157 HydrophobicContact CD2-CB 3.95Å; Y95-R157 HydrophobicContact CD2-CG 4.14Å; Y95-R157 HydrophobicContact CE1-CG 3.82Å; Y95-R157 HydrophobicContact CE2-CB 3.78Å; Y95-R157 HydrophobicContact CE2-CG 3.93Å; Y95-R157 HydrophobicContact CG-CB 4.39Å; Y95-R157 HydrophobicContact CG-CG 4.17Å; Y95-P203 WeakPolarHBondContact OH-CG 3.33Å
96	H	97.5	Very high	94.5	Very high	75 Å²	75	70.7 Å²	70.7	35%	0.347	37%	0.367	S	S	.	.			trans	-96	145.8	173.8	-61.4	171.8	0	0	0	110.6	E94 P106 I107	E94-H96 IonicContact OE1-CD2 3.42Å; E94-H96 PolarHBondContact OE1-CD2 3.04Å; E94-H96 IonicContact OE1-CE1 2.92Å; E94-H96 IonicContact OE1-NE2 2.72Å; E94-H96 PolarHBondContact OE1-NE2 3.47Å; H96-P106 HydrophobicContact CB-CB 3.71Å; H96-I107 CarbonylContact C-O 3.57Å; H96-I107 WeakPolarHBondContact CA-O 3.4Å; H96-I107 WeakPolarHBondContact CB-O 3.36Å
97	W	98.1	Very high	94.4	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.008	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-93.3	131.3	-177.7	178.6	-105.2	0	0	0	111.8	D99 P106 I107 Y114 Y117 L118 W121	W97-D99 HydrophobicContact CZ2-CB 3.93Å; W97-P106 CarbonylContact O-C 3.58Å; W97-P106 VanDerWaalsContact O-CA 3.27Å; W97-P106 WeakPolarHBondContact O-CA 3.41Å; W97-I107 HydrophobicContact CB-CG1 4.11Å; W97-I107 PolarHBondContact N-O 2.91Å; W97-I107 PolarHBondContact O-N 2.82Å; W97-Y114 HydrophobicContact CB-CD2 3.81Å; W97-Y114 HydrophobicContact CB-CE2 3.88Å; W97-Y114 HydrophobicContact CE3-CD2 4.25Å; W97-Y114 HydrophobicContact CE3-CE1 4.2Å; W97-Y114 AromaticContact CE3-CE2 3.85Å; W97-Y114 HydrophobicContact CE3-CE2 3.85Å; W97-Y114 AromaticContact CE3-CZ 3.8Å; W97-Y117 AromaticContact CD1-CD2 3.59Å; W97-Y117 HydrophobicContact CD2-CD2 4.35Å; W97-Y117 VanDerWaalsContact CE2-CB 3.47Å; W97-Y117 AromaticContact CG-CD2 3.94Å; W97-Y117 HydrophobicContact CG-CD2 3.94Å; W97-Y117 WeakPolarHBondContact CH2-O 3.46Å; W97-Y117 AromaticContact NE1-CD2 3.81Å; W97-Y117 AromaticContact NE1-CG 3.88Å; W97-L118 HydrophobicContact CH2-CB 4.28Å; W97-L118 HydrophobicContact CH2-CD1 4.37Å; W97-L118 HydrophobicContact CZ3-CB 3.81Å; W97-L118 HydrophobicContact CZ3-CD1 4Å; W97-W121 HydrophobicContact CH2-CB 3.7Å; W97-W121 HydrophobicContact CH2-CD2 4.39Å; W97-W121 AromaticContact CH2-CG 3.98Å; W97-W121 HydrophobicContact CH2-CG 3.98Å; W97-W121 HydrophobicContact CZ2-CB 3.96Å; W97-W121 HydrophobicContact CZ2-CG 4.27Å
98	A	96.3	Very high	94.4	Very high	19 Å²	19	77.7 Å²	77.7	16%	0.157	40%	0.395	C	S	.	.			trans	-153.5	136	164.2	0	0	0	0	0	108.7	I103 P106 R154	A98-I103 VanDerWaalsContact CA-O 3.31Å; A98-I103 WeakPolarHBondContact CA-O 3.25Å; A98-I103 WeakPolarHBondContact CB-O 3.31Å; A98-P106 HydrophobicContact CB-CG 4.21Å; A98-R154 VanDerWaalsContact O-CZ 3.28Å; A98-R154 PolarHBondContact O-NH1 3.24Å; A98-R154 PolarHBondContact O-NH2 3.16Å
99	D	92.2	Very high	94.4	Very high	25 Å²	25	77.7 Å²	77.7	13%	0.134	40%	0.395	C	S	.	.			trans	-100.4	-13.6	173.7	56.6	22.9	0	0	0	112.3	W97 T101 N102 I103 W121	W97-D99 HydrophobicContact CZ2-CB 3.93Å; D99-T101 PolarHBondContact O-N 3.22Å; D99-T101 PolarHBondContact OD1-N 2.91Å; D99-T101 PolarHBondContact OD1-OG1 3.39Å; D99-N102 PolarHBondContact OD1-N 2.98Å; D99-N102 WeakPolarHBondContact OD2-CB 3.47Å; D99-I103 PolarHBondContact N-O 2.82Å; D99-I103 VanDerWaalsContact N-O 3.1Å; D99-I103 PolarHBondContact OD1-N 3Å; D99-W121 HydrophobicContact CB-CG 4.46Å
100	G	89.7	Confident	94.5	Very high	49 Å²	49	78.1 Å²	78.1	51%	0.505	40%	0.398	S	S	.	.	S	Bend	trans	80.8	-6.6	-176.8	0	0	0	0	0	114.4	I103	G100-I103 PolarHBondContact N-O 2.83Å
101	T	89.4	Confident	94.8	Very high	91 Å²	91	77.8 Å²	77.8	56%	0.558	40%	0.395	S	S	*	.	S	Bend	trans	-113.2	-75.5	-179.9	53.8	0	0	0	0	110.5	D99 K104	D99-T101 PolarHBondContact O-N 3.22Å; D99-T101 PolarHBondContact OD1-N 2.91Å; D99-T101 PolarHBondContact OD1-OG1 3.39Å; T101-K104 WeakPolarHBondContact O-CE 3.46Å
102	N	90	Very high	95.2	Very high	143 Å²	143	72.6 Å²	72.6	77%	0.765	36%	0.361	S	S	*	.	S	Bend	trans	-78	-38.6	-179.9	-54.8	-56.7	0	0	0	111.5	D99	D99-N102 PolarHBondContact OD1-N 2.98Å; D99-N102 WeakPolarHBondContact OD2-CB 3.47Å
103	I	90.8	Very high	95.5	Very high	36 Å²	36	66.4 Å²	66.4	19%	0.185	34%	0.34	C	S	.	.			trans	-121	89.6	179.4	-60	174	0	0	0	108	A98 D99 G100 K105 I107 Y117	A98-I103 VanDerWaalsContact CA-O 3.31Å; A98-I103 WeakPolarHBondContact CA-O 3.25Å; A98-I103 WeakPolarHBondContact CB-O 3.31Å; D99-I103 PolarHBondContact N-O 2.82Å; D99-I103 VanDerWaalsContact N-O 3.1Å; D99-I103 PolarHBondContact OD1-N 3Å; G100-I103 PolarHBondContact N-O 2.83Å; I103-K105 WeakPolarHBondContact CG2-O 3.4Å; I103-I107 HydrophobicContact CD1-CD1 3.9Å; I103-I107 HydrophobicContact CG2-CD1 4.25Å; I103-I107 HydrophobicContact CG2-CG1 4.11Å; I103-I107 HydrophobicContact CG2-CG2 4.04Å; I103-Y117 HydrophobicContact CD1-CE2 4.3Å
104	K	90.9	Very high	95.5	Very high	165 Å²	165	62.4 Å²	62.4	72%	0.717	32%	0.324	S	S	*	.			trans	-76.9	-35.4	-178.9	-63.7	-175.6	178.7	179.7	0	113.4	T101	T101-K104 WeakPolarHBondContact O-CE 3.46Å
105	K	94.9	Very high	95.6	Very high	176 Å²	176	58.4 Å²	58.4	77%	0.765	31%	0.306	S	S	*	.	S	Bend	trans	-97	130.6	178.7	-69	-174.4	179.6	-179.3	0	109.1	I103 I107	I103-K105 WeakPolarHBondContact CG2-O 3.4Å; K105-I107 WeakPolarHBondContact O-CG2 3.19Å; K105-I107 PolarHBondContact O-N 3.13Å
106	P	96.8	Very high	95.6	Very high	87 Å²	87	62.2 Å²	62.2	57%	0.565	33%	0.328	S	S	*	.			trans	-53.7	126.8	176	-26.9	35.1	0	0	0	112.1	H96 W97 A98	H96-P106 HydrophobicContact CB-CB 3.71Å; W97-P106 CarbonylContact O-C 3.58Å; W97-P106 VanDerWaalsContact O-CA 3.27Å; W97-P106 WeakPolarHBondContact O-CA 3.41Å; A98-P106 HydrophobicContact CB-CG 4.21Å
107	I	97.3	Very high	95.6	Very high	62 Å²	62	62.1 Å²	62.1	32%	0.318	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-112	149.5	176.8	65	170.7	0	0	0	111.1	H96 W97 I103 K105	H96-I107 CarbonylContact C-O 3.57Å; H96-I107 WeakPolarHBondContact CA-O 3.4Å; H96-I107 WeakPolarHBondContact CB-O 3.36Å; W97-I107 HydrophobicContact CB-CG1 4.11Å; W97-I107 PolarHBondContact N-O 2.91Å; W97-I107 PolarHBondContact O-N 2.82Å; I103-I107 HydrophobicContact CD1-CD1 3.9Å; I103-I107 HydrophobicContact CG2-CD1 4.25Å; I103-I107 HydrophobicContact CG2-CG1 4.11Å; I103-I107 HydrophobicContact CG2-CG2 4.04Å; K105-I107 WeakPolarHBondContact O-CG2 3.19Å; K105-I107 PolarHBondContact O-N 3.13Å
108	K	97.7	Very high	95.6	Very high	137 Å²	137	62 Å²	62	60%	0.596	32%	0.324	S	S	*	.			trans	-78.7	136.3	164.7	-65.6	-170.7	177.6	-128.4	0	109.3	E94	E94-K108 WeakPolarHBondContact OE1-CD 3.42Å; E94-K108 WeakPolarHBondContact OE1-CE 3.35Å; E94-K108 IonicContact OE1-NZ 3.48Å; E94-K108 PolarHBondContact OE1-NZ 3.06Å; E94-K108 IonicContact OE2-NZ 2.91Å; E94-K108 PolarHBondContact OE2-NZ 3.42Å
109	C	97.3	Very high	95.6	Very high	14 Å²	14	61.8 Å²	61.8	10%	0.095	32%	0.32	C	S	.	.			trans	-152.5	163.8	170.5	60	0	0	0	0	110.4	V86 M87 K113	V86-C109 WeakPolarHBondContact CA-O 3.48Å; M87-C109 PolarHBondContact N-O 2.97Å; M87-C109 VanDerWaalsContact N-O 3.09Å; C109-K113 HydrophobicContact CB-CB 4.31Å; C109-K113 HydrophobicContact CB-CD 4.11Å; C109-K113 HydrophobicContact CB-CG 4.22Å
110	S	98.6	Very high	95.8	Very high	9 Å²	9	64 Å²	64	6%	0.063	34%	0.335	C	S	.	.			trans	-58.6	155.8	172.4	60.5	0	0	0	0	111.5	E81 C84 P85 K113 Y114	E81-S110 PolarHBondContact OE1-OG 3.29Å; C84-S110 WeakPolarHBondContact O-CA 3.34Å; C84-S110 WeakPolarHBondContact O-CB 3.37Å; P85-S110 VanDerWaalsContact O-CA 3.31Å; P85-S110 WeakPolarHBondContact O-CA 3.5Å; P85-S110 PolarHBondContact O-N 3.17Å; S110-K113 PolarHBondContact O-N 3.43Å; S110-K113 WeakPolarHBondContact OG-CB 3.41Å; S110-Y114 WeakPolarHBondContact O-CB 3.45Å; S110-Y114 PolarHBondContact O-N 2.81Å
111	A	98.7	Very high	96.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-48.5	176.1	0	0	0	0	0	113.4	C84 M87 K113 Y114 I115 H161	C84-A111 HydrophobicContact CB-CB 3.55Å; C84-A111 PolarHBondContact O-N 3.5Å; M87-A111 HydrophobicContact CB-CB 4.49Å; M87-A111 HydrophobicContact SD-CB 3.76Å; A111-K113 VanDerWaalsContact C-N 3.3Å; A111-K113 PolarHBondContact O-N 2.95Å; A111-Y114 WeakPolarHBondContact O-CB 3.33Å; A111-Y114 PolarHBondContact O-N 3.35Å; A111-I115 WeakPolarHBondContact O-CB 3.5Å; A111-I115 VanDerWaalsContact O-CG1 3.27Å; A111-I115 WeakPolarHBondContact O-CG1 3.36Å; A111-I115 PolarHBondContact O-N 2.94Å; A111-H161 WeakPolarHBondContact CB-CE1 3.48Å; A111-H161 WeakPolarHBondContact CB-NE2 3.18Å
112	P	98.5	Very high	96.5	Very high	28 Å²	28	58.9 Å²	58.9	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-39.5	178.3	22.2	-34.4	0	0	0	112.9	Y72 E81 I115 D116	Y72-P112 WeakPolarHBondContact OH-CA 3.42Å; E81-P112 HydrophobicContact CG-CG 4.14Å; P112-I115 PolarHBondContact O-N 3.28Å; P112-D116 WeakPolarHBondContact O-CB 3.5Å; P112-D116 PolarHBondContact O-N 2.97Å
113	K	97.9	Very high	96.8	Very high	86 Å²	86	52.4 Å²	52.4	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-67.9	-39.8	177	-173.7	168.5	-176.4	173.4	0	112.4	C109 S110 A111 Y117	C109-K113 HydrophobicContact CB-CB 4.31Å; C109-K113 HydrophobicContact CB-CD 4.11Å; C109-K113 HydrophobicContact CB-CG 4.22Å; S110-K113 PolarHBondContact O-N 3.43Å; S110-K113 WeakPolarHBondContact OG-CB 3.41Å; A111-K113 VanDerWaalsContact C-N 3.3Å; A111-K113 PolarHBondContact O-N 2.95Å; K113-Y117 HydrophobicContact CD-CE2 4.24Å; K113-Y117 WeakPolarHBondContact CE-OH 3.33Å; K113-Y117 HydrophobicContact CG-CD2 4.18Å; K113-Y117 HydrophobicContact CG-CE2 3.66Å; K113-Y117 VanDerWaalsContact O-CD2 3.29Å; K113-Y117 WeakPolarHBondContact O-CD2 3.19Å; K113-Y117 PolarHBondContact O-N 3.29Å; K113-Y117 VanDerWaalsContact O-N 3.1Å
114	Y	98.5	Very high	97.1	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-47.6	174.1	-174.3	-78.9	0	0	0	111.2	M87 W97 S110 A111 Y117 L118 R157	M87-Y114 HydrophobicContact CB-CD1 4.32Å; M87-Y114 HydrophobicContact CB-CD2 3.76Å; M87-Y114 HydrophobicContact CB-CG 3.66Å; M87-Y114 HydrophobicContact CE-CD1 4.03Å; M87-Y114 HydrophobicContact CE-CE1 4.31Å; M87-Y114 HydrophobicContact CG-CD1 3.6Å; M87-Y114 HydrophobicContact CG-CD2 3.81Å; M87-Y114 HydrophobicContact CG-CE1 4.12Å; M87-Y114 HydrophobicContact CG-CE2 4.29Å; M87-Y114 HydrophobicContact CG-CG 3.46Å; M87-Y114 VanDerWaalsContact CG-CG 3.46Å; M87-Y114 HydrophobicContact SD-CD1 4.01Å; M87-Y114 HydrophobicContact SD-CG 4.21Å; W97-Y114 HydrophobicContact CB-CD2 3.81Å; W97-Y114 HydrophobicContact CB-CE2 3.88Å; W97-Y114 HydrophobicContact CE3-CD2 4.25Å; W97-Y114 HydrophobicContact CE3-CE1 4.2Å; W97-Y114 AromaticContact CE3-CE2 3.85Å; W97-Y114 HydrophobicContact CE3-CE2 3.85Å; W97-Y114 AromaticContact CE3-CZ 3.8Å; S110-Y114 WeakPolarHBondContact O-CB 3.45Å; S110-Y114 PolarHBondContact O-N 2.81Å; A111-Y114 WeakPolarHBondContact O-CB 3.33Å; A111-Y114 PolarHBondContact O-N 3.35Å; Y114-Y117 PolarHBondContact O-N 3.3Å; Y114-L118 HydrophobicContact CD1-CB 4.43Å; Y114-L118 HydrophobicContact CE1-CB 4.33Å; Y114-L118 HydrophobicContact CE1-CD2 4.17Å; Y114-L118 WeakPolarHBondContact O-CB 3.43Å; Y114-L118 PolarHBondContact O-N 3.33Å; Y114-R157 PolarHBondContact OH-NH1 3.47Å
115	I	98.4	Very high	97.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-38.6	-176	-65.2	167.7	0	0	0	110.2	Y72 M87 A111 P112 L118 M119 V158	Y72-I115 HydrophobicContact CD1-CG2 3.51Å; Y72-I115 HydrophobicContact CD2-CD1 3.83Å; Y72-I115 HydrophobicContact CD2-CG2 4.38Å; Y72-I115 HydrophobicContact CE1-CB 4Å; Y72-I115 HydrophobicContact CE1-CD1 4.23Å; Y72-I115 HydrophobicContact CE1-CG2 3.46Å; Y72-I115 VanDerWaalsContact CE1-CG2 3.46Å; Y72-I115 HydrophobicContact CE2-CD1 3.3Å; Y72-I115 HydrophobicContact CE2-CG2 4.37Å; Y72-I115 HydrophobicContact CG-CG2 3.98Å; M87-I115 HydrophobicContact CE-CD1 4.25Å; M87-I115 HydrophobicContact CE-CG1 4.08Å; M87-I115 HydrophobicContact SD-CD1 4.14Å; M87-I115 HydrophobicContact SD-CG1 4.06Å; A111-I115 WeakPolarHBondContact O-CB 3.5Å; A111-I115 VanDerWaalsContact O-CG1 3.27Å; A111-I115 WeakPolarHBondContact O-CG1 3.36Å; A111-I115 PolarHBondContact O-N 2.94Å; P112-I115 PolarHBondContact O-N 3.28Å; I115-L118 PolarHBondContact O-N 3.36Å; I115-M119 HydrophobicContact CG2-CE 3.98Å; I115-M119 HydrophobicContact CG2-CG 4.09Å; I115-M119 VanDerWaalsContact O-CG 3.3Å; I115-M119 WeakPolarHBondContact O-CG 3.23Å; I115-M119 PolarHBondContact O-N 3.32Å; I115-V158 HydrophobicContact CD1-CG1 4.26Å; I115-V158 HydrophobicContact CG1-CG2 4.35Å
116	D	97.4	Very high	97.3	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-48.3	172.5	-176	61.3	0	0	0	112.4	P112 L118 M119 T120	P112-D116 WeakPolarHBondContact O-CB 3.5Å; P112-D116 PolarHBondContact O-N 2.97Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.37Å; D116-M119 PolarHBondContact O-N 3.41Å; D116-T120 WeakPolarHBondContact O-CB 3.18Å; D116-T120 PolarHBondContact O-N 2.89Å; D116-T120 PolarHBondContact O-OG1 2.95Å
117	Y	97.6	Very high	97.2	Very high	73 Å²	73	41.1 Å²	41.1	29%	0.286	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-41.3	173.8	-68.7	-34	0	0	0	112.5	W97 I103 K113 Y114 W121	W97-Y117 AromaticContact CD1-CD2 3.59Å; W97-Y117 HydrophobicContact CD2-CD2 4.35Å; W97-Y117 VanDerWaalsContact CE2-CB 3.47Å; W97-Y117 AromaticContact CG-CD2 3.94Å; W97-Y117 HydrophobicContact CG-CD2 3.94Å; W97-Y117 WeakPolarHBondContact CH2-O 3.46Å; W97-Y117 AromaticContact NE1-CD2 3.81Å; W97-Y117 AromaticContact NE1-CG 3.88Å; I103-Y117 HydrophobicContact CD1-CE2 4.3Å; K113-Y117 HydrophobicContact CD-CE2 4.24Å; K113-Y117 WeakPolarHBondContact CE-OH 3.33Å; K113-Y117 HydrophobicContact CG-CD2 4.18Å; K113-Y117 HydrophobicContact CG-CE2 3.66Å; K113-Y117 VanDerWaalsContact O-CD2 3.29Å; K113-Y117 WeakPolarHBondContact O-CD2 3.19Å; K113-Y117 PolarHBondContact O-N 3.29Å; K113-Y117 VanDerWaalsContact O-N 3.1Å; Y114-Y117 PolarHBondContact O-N 3.3Å; Y117-W121 WeakPolarHBondContact O-CB 3.5Å; Y117-W121 PolarHBondContact O-N 3.34Å
118	L	98	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-49.7	178.9	175.8	59.7	0	0	0	111.6	W97 Y114 I115 D116 T120 W121 V122 R154 V158	W97-L118 HydrophobicContact CH2-CB 4.28Å; W97-L118 HydrophobicContact CH2-CD1 4.37Å; W97-L118 HydrophobicContact CZ3-CB 3.81Å; W97-L118 HydrophobicContact CZ3-CD1 4Å; Y114-L118 HydrophobicContact CD1-CB 4.43Å; Y114-L118 HydrophobicContact CE1-CB 4.33Å; Y114-L118 HydrophobicContact CE1-CD2 4.17Å; Y114-L118 WeakPolarHBondContact O-CB 3.43Å; Y114-L118 PolarHBondContact O-N 3.33Å; I115-L118 PolarHBondContact O-N 3.36Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.37Å; L118-T120 VanDerWaalsContact C-N 3.33Å; L118-T120 PolarHBondContact O-N 2.76Å; L118-W121 HydrophobicContact CD1-CE3 4.2Å; L118-W121 PolarHBondContact O-N 3.43Å; L118-V122 HydrophobicContact CD1-CG2 3.73Å; L118-V122 HydrophobicContact CG-CG2 4.32Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.3Å; L118-R154 HydrophobicContact CD1-CB 3.47Å; L118-R154 VanDerWaalsContact CD1-CB 3.47Å; L118-R154 HydrophobicContact CD1-CG 4.3Å; L118-R154 HydrophobicContact CD2-CB 4.24Å; L118-R154 WeakPolarHBondContact CD2-O 3.47Å; L118-V158 HydrophobicContact CD2-CG2 3.57Å
119	M	97.5	Very high	96.9	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-40.1	-177.1	-65.7	-49.6	179.9	0	0	111.3	F65 I68 N69 I115 D116 Q123 L155 V158	F65-M119 HydrophobicContact CD2-SD 4.01Å; F65-M119 HydrophobicContact CE2-CB 4.22Å; F65-M119 HydrophobicContact CE2-SD 3.7Å; I68-M119 HydrophobicContact CB-CE 4.44Å; I68-M119 HydrophobicContact CG2-CE 3.62Å; N69-M119 HydrophobicContact CB-CE 4.46Å; N69-M119 HydrophobicContact CB-SD 4.39Å; I115-M119 HydrophobicContact CG2-CE 3.98Å; I115-M119 HydrophobicContact CG2-CG 4.09Å; I115-M119 VanDerWaalsContact O-CG 3.3Å; I115-M119 WeakPolarHBondContact O-CG 3.23Å; I115-M119 PolarHBondContact O-N 3.32Å; D116-M119 PolarHBondContact O-N 3.41Å; M119-Q123 WeakPolarHBondContact O-CB 3.35Å; M119-Q123 PolarHBondContact O-N 3.01Å; M119-L155 HydrophobicContact SD-CD2 4.29Å; M119-V158 HydrophobicContact CE-CG1 4.34Å; M119-V158 HydrophobicContact CE-CG2 4.11Å
120	T	96.2	Very high	96.8	Very high	72 Å²	72	42.8 Å²	42.8	44%	0.442	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-50.3	173.5	-56.5	0	0	0	0	110.9	D116 L118 V122 Q123 D124	D116-T120 WeakPolarHBondContact O-CB 3.18Å; D116-T120 PolarHBondContact O-N 2.89Å; D116-T120 PolarHBondContact O-OG1 2.95Å; L118-T120 VanDerWaalsContact C-N 3.33Å; L118-T120 PolarHBondContact O-N 2.76Å; T120-V122 PolarHBondContact O-N 2.65Å; T120-Q123 PolarHBondContact O-N 3.47Å; T120-D124 PolarHBondContact O-N 2.87Å
121	W	97.1	Very high	96.7	Very high	32 Å²	32	43.2 Å²	43.2	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-43	179.9	177.4	82.3	0	0	0	112.5	W97 D99 Y117 L118 D124 Q125 T150 I151	W97-W121 HydrophobicContact CH2-CB 3.7Å; W97-W121 HydrophobicContact CH2-CD2 4.39Å; W97-W121 AromaticContact CH2-CG 3.98Å; W97-W121 HydrophobicContact CH2-CG 3.98Å; W97-W121 HydrophobicContact CZ2-CB 3.96Å; W97-W121 HydrophobicContact CZ2-CG 4.27Å; D99-W121 HydrophobicContact CB-CG 4.46Å; Y117-W121 WeakPolarHBondContact O-CB 3.5Å; Y117-W121 PolarHBondContact O-N 3.34Å; L118-W121 HydrophobicContact CD1-CE3 4.2Å; L118-W121 PolarHBondContact O-N 3.43Å; W121-D124 PolarHBondContact O-N 2.72Å; W121-Q125 HydrophobicContact CD2-CG 4.27Å; W121-Q125 HydrophobicContact CE3-CG 4.48Å; W121-Q125 HydrophobicContact CH2-CG 4.1Å; W121-Q125 HydrophobicContact CZ2-CG 3.89Å; W121-Q125 HydrophobicContact CZ3-CG 4.4Å; W121-Q125 WeakPolarHBondContact O-CG 3.43Å; W121-Q125 PolarHBondContact O-N 2.94Å; W121-Q125 VanDerWaalsContact O-N 3.14Å; W121-T150 HydrophobicContact CH2-CG2 3.88Å; W121-I151 HydrophobicContact CH2-CG1 3.96Å; W121-I151 HydrophobicContact CZ3-CG1 3.78Å
122	V	97.5	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-44.8	177.1	173.4	0	0	0	0	110.4	F65 L118 T120 D124 Q125 L126 I151 L155	F65-V122 HydrophobicContact CB-CG1 4.21Å; F65-V122 HydrophobicContact CD2-CB 3.89Å; F65-V122 HydrophobicContact CD2-CG1 3.39Å; F65-V122 HydrophobicContact CE2-CB 3.97Å; F65-V122 HydrophobicContact CE2-CG1 3.9Å; F65-V122 HydrophobicContact CG-CG1 3.88Å; L118-V122 HydrophobicContact CD1-CG2 3.73Å; L118-V122 HydrophobicContact CG-CG2 4.32Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.3Å; T120-V122 PolarHBondContact O-N 2.65Å; V122-D124 VanDerWaalsContact C-N 3.31Å; V122-D124 PolarHBondContact O-N 3.15Å; V122-Q125 WeakPolarHBondContact O-CB 3.46Å; V122-Q125 PolarHBondContact O-N 3.5Å; V122-Q125 VanDerWaalsContact O-N 3.11Å; V122-L126 HydrophobicContact CG1-CD1 3.77Å; V122-L126 HydrophobicContact CG1-CG 4.05Å; V122-L126 WeakPolarHBondContact O-CG 3.26Å; V122-L126 PolarHBondContact O-N 3.01Å; V122-I151 HydrophobicContact CG1-CG2 3.71Å; V122-I151 HydrophobicContact CG2-CG2 4Å; V122-L155 HydrophobicContact CG2-CD2 4.27Å
123	Q	96.2	Very high	96.3	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-56	-47	176.1	-178.2	75.7	49.8	0	0	111.2	N18 F65 M119 T120 Q125 L126 D127	N18-Q123 PolarHBondContact ND2-NE2 3.49Å; N18-Q123 PolarHBondContact OD1-NE2 3.35Å; F65-Q123 VanDerWaalsContact CE1-OE1 3.27Å; F65-Q123 HydrophobicContact CZ-CB 4.09Å; M119-Q123 WeakPolarHBondContact O-CB 3.35Å; M119-Q123 PolarHBondContact O-N 3.01Å; T120-Q123 PolarHBondContact O-N 3.47Å; Q123-Q125 VanDerWaalsContact C-N 3.26Å; Q123-Q125 PolarHBondContact O-N 3.36Å; Q123-L126 PolarHBondContact O-N 3.43Å; Q123-L126 VanDerWaalsContact O-N 3.1Å; Q123-D127 WeakPolarHBondContact CG-OD2 3.48Å; Q123-D127 PolarHBondContact NE2-OD1 3.42Å; Q123-D127 PolarHBondContact NE2-OD2 3.27Å; Q123-D127 WeakPolarHBondContact O-CB 3.39Å; Q123-D127 PolarHBondContact O-N 2.93Å
124	D	95.5	Very high	95.8	Very high	96 Å²	96	39.8 Å²	39.8	51%	0.513	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-35.4	178.7	-67.1	-19	0	0	0	112.3	T120 W121 V122 D128	T120-D124 PolarHBondContact O-N 2.87Å; W121-D124 PolarHBondContact O-N 2.72Å; V122-D124 VanDerWaalsContact C-N 3.31Å; V122-D124 PolarHBondContact O-N 3.15Å; D124-D128 PolarHBondContact O-N 2.8Å
125	Q	95.7	Very high	95.3	Very high	41 Å²	41	46.7 Å²	46.7	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-70.4	-40.2	174.4	-60.7	-57.3	-77.8	0	0	112.4	W121 V122 Q123 D127 D128 F132 I151	W121-Q125 HydrophobicContact CD2-CG 4.27Å; W121-Q125 HydrophobicContact CE3-CG 4.48Å; W121-Q125 HydrophobicContact CH2-CG 4.1Å; W121-Q125 HydrophobicContact CZ2-CG 3.89Å; W121-Q125 HydrophobicContact CZ3-CG 4.4Å; W121-Q125 WeakPolarHBondContact O-CG 3.43Å; W121-Q125 PolarHBondContact O-N 2.94Å; W121-Q125 VanDerWaalsContact O-N 3.14Å; V122-Q125 WeakPolarHBondContact O-CB 3.46Å; V122-Q125 PolarHBondContact O-N 3.5Å; V122-Q125 VanDerWaalsContact O-N 3.11Å; Q123-Q125 VanDerWaalsContact C-N 3.26Å; Q123-Q125 PolarHBondContact O-N 3.36Å; Q125-D127 VanDerWaalsContact C-N 3.34Å; Q125-D128 PolarHBondContact O-N 2.75Å; Q125-F132 VanDerWaalsContact O-CD2 3.25Å; Q125-F132 WeakPolarHBondContact O-CD2 3.5Å; Q125-I151 HydrophobicContact CB-CD1 3.87Å; Q125-I151 HydrophobicContact CG-CD1 4.35Å
126	L	95.5	Very high	94.6	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-72.7	-28.5	-178.7	-65.2	179.2	0	0	0	112.4	T61 V62 F65 V122 Q123 D128 F132 I151	T61-L126 HydrophobicContact CG2-CD2 4.16Å; V62-L126 HydrophobicContact CG2-CD1 4.16Å; V62-L126 HydrophobicContact CG2-CD2 3.92Å; V62-L126 HydrophobicContact CG2-CG 4.47Å; F65-L126 HydrophobicContact CB-CD1 3.92Å; F65-L126 HydrophobicContact CD1-CD1 3.74Å; F65-L126 HydrophobicContact CE1-CD1 4.41Å; F65-L126 HydrophobicContact CG-CD1 3.82Å; V122-L126 HydrophobicContact CG1-CD1 3.77Å; V122-L126 HydrophobicContact CG1-CG 4.05Å; V122-L126 WeakPolarHBondContact O-CG 3.26Å; V122-L126 PolarHBondContact O-N 3.01Å; Q123-L126 PolarHBondContact O-N 3.43Å; Q123-L126 VanDerWaalsContact O-N 3.1Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-F132 HydrophobicContact CD2-CD1 3.76Å; L126-F132 HydrophobicContact CD2-CD2 4.17Å; L126-F132 HydrophobicContact CD2-CE1 3.49Å; L126-F132 VanDerWaalsContact CD2-CE1 3.49Å; L126-F132 HydrophobicContact CD2-CE2 3.94Å; L126-F132 HydrophobicContact CD2-CG 4.11Å; L126-F132 HydrophobicContact CD2-CZ 3.61Å; L126-I151 HydrophobicContact CD2-CD1 4.39Å
127	D	94.1	Very high	94.1	Very high	80 Å²	80	52.6 Å²	52.6	43%	0.428	29%	0.286	S	S	.	.	S	Bend	trans	-82.5	-12.5	176.5	-68.6	-11.5	0	0	0	112.4	N18 Q123 Q125 E129	N18-D127 PolarHBondContact ND2-OD1 3.15Å; Q123-D127 WeakPolarHBondContact CG-OD2 3.48Å; Q123-D127 PolarHBondContact NE2-OD1 3.42Å; Q123-D127 PolarHBondContact NE2-OD2 3.27Å; Q123-D127 WeakPolarHBondContact O-CB 3.39Å; Q123-D127 PolarHBondContact O-N 2.93Å; Q125-D127 VanDerWaalsContact C-N 3.34Å; D127-E129 PolarHBondContact O-N 3.33Å
128	D	94.7	Very high	93.8	Very high	59 Å²	59	52.5 Å²	52.5	32%	0.316	29%	0.293	S	S	.	.			trans	-78.9	98.4	176.2	-174	-11.7	0	0	0	110.7	D124 Q125 L126 T130 L131 F132	D124-D128 PolarHBondContact O-N 2.8Å; Q125-D128 PolarHBondContact O-N 2.75Å; L126-D128 VanDerWaalsContact C-N 3.34Å; D128-T130 VanDerWaalsContact CG-OG1 3.28Å; D128-T130 PolarHBondContact O-N 3.23Å; D128-T130 WeakPolarHBondContact OD1-CA 3.44Å; D128-T130 VanDerWaalsContact OD1-CB 3.27Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.38Å; D128-T130 PolarHBondContact OD1-N 3.35Å; D128-T130 PolarHBondContact OD1-OG1 2.96Å; D128-T130 PolarHBondContact OD2-OG1 2.75Å; D128-L131 HydrophobicContact CB-CB 4.26Å; D128-L131 HydrophobicContact CB-CD1 4.16Å; D128-L131 HydrophobicContact CB-CG 4.23Å; D128-L131 CarbonylContact O-C 3.6Å; D128-L131 WeakPolarHBondContact O-CA 3.44Å; D128-L131 PolarHBondContact O-N 2.92Å; D128-F132 PolarHBondContact O-N 2.93Å
129	E	94.2	Very high	93.6	Very high	88 Å²	88	57.6 Å²	57.6	41%	0.411	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.1	176.3	-72.4	-73.3	159	0	0	114.3	D127 P133 S134	D127-E129 PolarHBondContact O-N 3.33Å; E129-P133 WeakPolarHBondContact O-CA 3.29Å; E129-S134 VanDerWaalsContact CD-OG 3.26Å; E129-S134 WeakPolarHBondContact OE1-CB 3.49Å; E129-S134 PolarHBondContact OE1-OG 3.22Å; E129-S134 PolarHBondContact OE2-N 2.84Å; E129-S134 PolarHBondContact OE2-OG 3.41Å; E129-S134 VanDerWaalsContact OE2-OG 3.09Å
130	T	95.3	Very high	93.6	Very high	100 Å²	100	58.7 Å²	58.7	61%	0.613	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.9	172.4	76.9	0	0	0	0	112.5	D128 P141	D128-T130 VanDerWaalsContact CG-OG1 3.28Å; D128-T130 PolarHBondContact O-N 3.23Å; D128-T130 WeakPolarHBondContact OD1-CA 3.44Å; D128-T130 VanDerWaalsContact OD1-CB 3.27Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.38Å; D128-T130 PolarHBondContact OD1-N 3.35Å; D128-T130 PolarHBondContact OD1-OG1 2.96Å; D128-T130 PolarHBondContact OD2-OG1 2.75Å; T130-P141 WeakPolarHBondContact O-CD 3.36Å; T130-P141 VanDerWaalsContact O-CG 3.24Å; T130-P141 WeakPolarHBondContact O-CG 3.17Å
131	L	95.8	Very high	93.7	Very high	19 Å²	19	57 Å²	57	10%	0.099	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-46.4	176.1	-63.9	-179.9	0	0	0	112	D128 P133 P141 F144 V147	D128-L131 HydrophobicContact CB-CB 4.26Å; D128-L131 HydrophobicContact CB-CD1 4.16Å; D128-L131 HydrophobicContact CB-CG 4.23Å; D128-L131 CarbonylContact O-C 3.6Å; D128-L131 WeakPolarHBondContact O-CA 3.44Å; D128-L131 PolarHBondContact O-N 2.92Å; L131-P133 VanDerWaalsContact C-CD 3.47Å; L131-P133 WeakPolarHBondContact O-CD 3.08Å; L131-P141 HydrophobicContact CD2-CG 4.34Å; L131-F144 WeakPolarHBondContact O-CD2 3.42Å; L131-V147 HydrophobicContact CD1-CG1 4.41Å; L131-V147 HydrophobicContact CD2-CG2 4.27Å
132	F	95.6	Very high	93.7	Very high	12 Å²	12	66.2 Å²	66.2	5%	0.053	36%	0.362	C	S	.	.	S	Bend	trans	-120.8	73.3	-179.5	-74.2	-103.3	0	0	0	109.6	A58 T61 Q125 L126 D128 S134 F144 V147 I151	A58-F132 HydrophobicContact CB-CD1 3.85Å; A58-F132 HydrophobicContact CB-CE1 4.12Å; T61-F132 HydrophobicContact CG2-CE1 4.35Å; T61-F132 HydrophobicContact CG2-CZ 4.38Å; Q125-F132 VanDerWaalsContact O-CD2 3.25Å; Q125-F132 WeakPolarHBondContact O-CD2 3.5Å; L126-F132 HydrophobicContact CD2-CD1 3.76Å; L126-F132 HydrophobicContact CD2-CD2 4.17Å; L126-F132 HydrophobicContact CD2-CE1 3.49Å; L126-F132 VanDerWaalsContact CD2-CE1 3.49Å; L126-F132 HydrophobicContact CD2-CE2 3.94Å; L126-F132 HydrophobicContact CD2-CG 4.11Å; L126-F132 HydrophobicContact CD2-CZ 3.61Å; D128-F132 PolarHBondContact O-N 2.93Å; F132-S134 PolarHBondContact O-N 3.43Å; F132-F144 AromaticContact CD1-CE2 3.99Å; F132-F144 HydrophobicContact CD1-CE2 3.99Å; F132-F144 AromaticContact CE1-CE2 3.68Å; F132-F144 HydrophobicContact CE1-CE2 3.68Å; F132-F144 HydrophobicContact CE1-CZ 4.37Å; F132-F144 HydrophobicContact CE2-CE2 4.4Å; F132-F144 HydrophobicContact CG-CE2 4.47Å; F132-F144 AromaticContact CZ-CE2 3.88Å; F132-F144 HydrophobicContact CZ-CE2 3.88Å; F132-V147 HydrophobicContact CE2-CG1 4.12Å; F132-I151 HydrophobicContact CE2-CD1 3.83Å; F132-I151 HydrophobicContact CZ-CD1 3.77Å
133	P	93.8	Very high	93.7	Very high	4 Å²	4	70 Å²	70	3%	0.026	38%	0.382	C	S	.	.			trans	-60.3	131.1	177	25.1	-34.5	0	0	0	111	Q25 E129 L131 V138 F140	Q25-P133 PolarHBondContact NE2-O 3.4Å; E129-P133 WeakPolarHBondContact O-CA 3.29Å; L131-P133 VanDerWaalsContact C-CD 3.47Å; L131-P133 WeakPolarHBondContact O-CD 3.08Å; P133-V138 HydrophobicContact CB-CB 3.97Å; P133-V138 HydrophobicContact CB-CG1 3.67Å; P133-V138 HydrophobicContact CG-CG1 4.45Å; P133-F140 HydrophobicContact CG-CD1 3.82Å; P133-F140 HydrophobicContact CG-CD2 4.27Å; P133-F140 HydrophobicContact CG-CE1 3.95Å; P133-F140 HydrophobicContact CG-CE2 4.37Å; P133-F140 HydrophobicContact CG-CG 4Å; P133-F140 HydrophobicContact CG-CZ 4.22Å
134	S	88.2	Confident	93.8	Very high	25 Å²	25	69.7 Å²	69.7	18%	0.175	38%	0.381	C	S	.	.			trans	-101.3	-13.7	175.4	65.4	0	0	0	0	113	E129 F132	E129-S134 VanDerWaalsContact CD-OG 3.26Å; E129-S134 WeakPolarHBondContact OE1-CB 3.49Å; E129-S134 PolarHBondContact OE1-OG 3.22Å; E129-S134 PolarHBondContact OE2-N 2.84Å; E129-S134 PolarHBondContact OE2-OG 3.41Å; E129-S134 VanDerWaalsContact OE2-OG 3.09Å; F132-S134 PolarHBondContact O-N 3.43Å
135	K	86.8	Confident	93.9	Very high	146 Å²	146	67.6 Å²	67.6	64%	0.635	37%	0.369	S	S	*	.	S	Bend	trans	-86	131.2	-176.4	-66.4	178.6	-175.1	171.8	0	111.9	G137 V138	K135-G137 PolarHBondContact O-N 2.86Å; K135-V138 HydrophobicContact CB-CB 4.49Å; K135-V138 HydrophobicContact CB-CG2 3.78Å; K135-V138 WeakPolarHBondContact O-CB 3.48Å; K135-V138 PolarHBondContact O-N 3.37Å; K135-V138 VanDerWaalsContact O-N 3.13Å
136	I	84.6	Confident	94	Very high	150 Å²	150	69.3 Å²	69.3	77%	0.769	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.1	175.3	-59.4	173.2	0	0	0	110.2	V138	I136-V138 VanDerWaalsContact C-N 3.29Å; I136-V138 PolarHBondContact O-N 3.1Å
137	G	86.3	Confident	94.1	Very high	76 Å²	76	69.7 Å²	69.7	78%	0.784	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-3.7	177.7	0	0	0	0	0	115.1	K135 P139	K135-G137 PolarHBondContact O-N 2.86Å; G137-P139 WeakPolarHBondContact O-CD 3.4Å
138	V	91.8	Very high	94.3	Very high	71 Å²	71	65.9 Å²	65.9	43%	0.43	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-85.3	118.3	170.9	-178.6	0	0	0	0	108.8	P133 K135 I136	P133-V138 HydrophobicContact CB-CB 3.97Å; P133-V138 HydrophobicContact CB-CG1 3.67Å; P133-V138 HydrophobicContact CG-CG1 4.45Å; K135-V138 HydrophobicContact CB-CB 4.49Å; K135-V138 HydrophobicContact CB-CG2 3.78Å; K135-V138 WeakPolarHBondContact O-CB 3.48Å; K135-V138 PolarHBondContact O-N 3.37Å; K135-V138 VanDerWaalsContact O-N 3.13Å; I136-V138 VanDerWaalsContact C-N 3.29Å; I136-V138 PolarHBondContact O-N 3.1Å
139	P	94	Very high	94.5	Very high	108 Å²	108	66.6 Å²	66.6	70%	0.701	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-74	145.2	-178.2	30.2	-34.6	0	0	0	111.5	G137	G137-P139 WeakPolarHBondContact O-CD 3.4Å
140	F	96.8	Very high	94.7	Very high	35 Å²	35	64.5 Å²	64.5	15%	0.154	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-60.8	145.1	168.5	-74.2	-89.8	0	0	0	111.3	N54 E55 A58 P133 F144	N54-F140 HydrophobicContact CB-CB 4.04Å; N54-F140 HydrophobicContact CB-CD1 4.14Å; N54-F140 HydrophobicContact CB-CD2 3.5Å; N54-F140 VanDerWaalsContact CB-CD2 3.5Å; N54-F140 HydrophobicContact CB-CE2 3.95Å; N54-F140 HydrophobicContact CB-CG 3.61Å; N54-F140 HydrophobicContact CB-CZ 4.44Å; E55-F140 HydrophobicContact CB-CE2 3.98Å; E55-F140 HydrophobicContact CB-CZ 4.32Å; A58-F140 HydrophobicContact CB-CE1 3.7Å; A58-F140 HydrophobicContact CB-CZ 3.76Å; P133-F140 HydrophobicContact CG-CD1 3.82Å; P133-F140 HydrophobicContact CG-CD2 4.27Å; P133-F140 HydrophobicContact CG-CE1 3.95Å; P133-F140 HydrophobicContact CG-CE2 4.37Å; P133-F140 HydrophobicContact CG-CG 4Å; P133-F140 HydrophobicContact CG-CZ 4.22Å; F140-F144 HydrophobicContact CB-CB 4.1Å; F140-F144 HydrophobicContact CB-CG 4.17Å; F140-F144 HydrophobicContact CD1-CB 4.35Å; F140-F144 HydrophobicContact CD1-CD1 4.15Å; F140-F144 AromaticContact CD1-CD2 3.4Å; F140-F144 HydrophobicContact CD1-CD2 3.4Å; F140-F144 HydrophobicContact CD1-CE1 4.33Å; F140-F144 AromaticContact CD1-CE2 3.59Å; F140-F144 HydrophobicContact CD1-CE2 3.59Å; F140-F144 AromaticContact CD1-CG 3.68Å; F140-F144 HydrophobicContact CD1-CG 3.68Å; F140-F144 HydrophobicContact CD1-CZ 4.06Å; F140-F144 AromaticContact CE1-CD2 3.93Å; F140-F144 HydrophobicContact CE1-CD2 3.93Å; F140-F144 AromaticContact CE1-CE2 3.61Å; F140-F144 HydrophobicContact CE1-CE2 3.61Å; F140-F144 AromaticContact CE1-CZ 3.98Å; F140-F144 HydrophobicContact CE1-CZ 3.98Å; F140-F144 HydrophobicContact CG-CD2 4.39Å; F140-F144 HydrophobicContact CG-CG 4.25Å
141	P	97.6	Very high	94.8	Very high	36 Å²	36	59.8 Å²	59.8	23%	0.234	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-69.8	157.5	179	33.7	-40.8	0	0	0	111.4	T130 L131 N143 F144	T130-P141 WeakPolarHBondContact O-CD 3.36Å; T130-P141 VanDerWaalsContact O-CG 3.24Å; T130-P141 WeakPolarHBondContact O-CG 3.17Å; L131-P141 HydrophobicContact CD2-CG 4.34Å; P141-N143 WeakPolarHBondContact CB-OD1 3.31Å; P141-N143 PolarHBondContact O-N 3.1Å; P141-F144 HydrophobicContact CG-CB 4Å; P141-F144 WeakPolarHBondContact O-CB 3.37Å; P141-F144 PolarHBondContact O-N 3.44Å
142	K	97.4	Very high	95	Very high	226 Å²	226	58.9 Å²	58.9	98%	0.983	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.2	-177.7	-65.7	-176.5	179.1	180	0	114.1
143	N	97.4	Very high	95.1	Very high	80 Å²	80	61.1 Å²	61.1	43%	0.428	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.1	178.9	67.3	-40.5	0	0	0	113.5	P141 M145 S146 V147	P141-N143 WeakPolarHBondContact CB-OD1 3.31Å; P141-N143 PolarHBondContact O-N 3.1Å; N143-M145 VanDerWaalsContact C-N 3.31Å; N143-M145 PolarHBondContact O-N 3.31Å; N143-S146 WeakPolarHBondContact O-CA 3.3Å; N143-S146 WeakPolarHBondContact O-CB 3.18Å; N143-S146 PolarHBondContact O-N 3.22Å; N143-V147 PolarHBondContact O-N 3.07Å; N143-V147 VanDerWaalsContact O-N 3.12Å
144	F	98.1	Very high	95.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-47.3	-53	-177.1	166.6	-102.7	0	0	0	112.3	N54 I57 A58 L131 F132 F140 P141 S146 V147 A148	N54-F144 HydrophobicContact CB-CD1 3.64Å; N54-F144 HydrophobicContact CB-CE1 3.54Å; N54-F144 HydrophobicContact CB-CZ 4.35Å; N54-F144 WeakPolarHBondContact O-CE1 3.5Å; N54-F144 VanDerWaalsContact O-CZ 3.25Å; N54-F144 WeakPolarHBondContact O-CZ 3.38Å; N54-F144 VanDerWaalsContact OD1-CD1 3.29Å; N54-F144 WeakPolarHBondContact OD1-CD1 3.37Å; I57-F144 HydrophobicContact CB-CE1 3.99Å; I57-F144 HydrophobicContact CB-CZ 4.11Å; I57-F144 HydrophobicContact CG2-CE1 3.93Å; I57-F144 HydrophobicContact CG2-CZ 3.9Å; A58-F144 HydrophobicContact CB-CE2 4.08Å; A58-F144 HydrophobicContact CB-CZ 3.86Å; L131-F144 WeakPolarHBondContact O-CD2 3.42Å; F132-F144 AromaticContact CD1-CE2 3.99Å; F132-F144 HydrophobicContact CD1-CE2 3.99Å; F132-F144 AromaticContact CE1-CE2 3.68Å; F132-F144 HydrophobicContact CE1-CE2 3.68Å; F132-F144 HydrophobicContact CE1-CZ 4.37Å; F132-F144 HydrophobicContact CE2-CE2 4.4Å; F132-F144 HydrophobicContact CG-CE2 4.47Å; F132-F144 AromaticContact CZ-CE2 3.88Å; F132-F144 HydrophobicContact CZ-CE2 3.88Å; F140-F144 HydrophobicContact CB-CB 4.1Å; F140-F144 HydrophobicContact CB-CG 4.17Å; F140-F144 HydrophobicContact CD1-CB 4.35Å; F140-F144 HydrophobicContact CD1-CD1 4.15Å; F140-F144 AromaticContact CD1-CD2 3.4Å; F140-F144 HydrophobicContact CD1-CD2 3.4Å; F140-F144 HydrophobicContact CD1-CE1 4.33Å; F140-F144 AromaticContact CD1-CE2 3.59Å; F140-F144 HydrophobicContact CD1-CE2 3.59Å; F140-F144 AromaticContact CD1-CG 3.68Å; F140-F144 HydrophobicContact CD1-CG 3.68Å; F140-F144 HydrophobicContact CD1-CZ 4.06Å; F140-F144 AromaticContact CE1-CD2 3.93Å; F140-F144 HydrophobicContact CE1-CD2 3.93Å; F140-F144 AromaticContact CE1-CE2 3.61Å; F140-F144 HydrophobicContact CE1-CE2 3.61Å; F140-F144 AromaticContact CE1-CZ 3.98Å; F140-F144 HydrophobicContact CE1-CZ 3.98Å; F140-F144 HydrophobicContact CG-CD2 4.39Å; F140-F144 HydrophobicContact CG-CG 4.25Å; P141-F144 HydrophobicContact CG-CB 4Å; P141-F144 WeakPolarHBondContact O-CB 3.37Å; P141-F144 PolarHBondContact O-N 3.44Å; F144-S146 PolarHBondContact O-N 2.9Å; F144-V147 WeakPolarHBondContact O-CA 3.42Å; F144-V147 WeakPolarHBondContact O-CB 3.4Å; F144-V147 PolarHBondContact O-N 3.27Å; F144-A148 HydrophobicContact CE1-CB 4.45Å; F144-A148 HydrophobicContact CZ-CB 4.24Å; F144-A148 PolarHBondContact O-N 2.85Å
145	M	98.1	Very high	95.8	Very high	51 Å²	51	61.6 Å²	61.6	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-59.5	-35.8	-178.1	-170.1	60.8	65.7	0	0	112.1	L53 I57 N143 K149 L195	L53-M145 HydrophobicContact CD2-CE 4.31Å; L53-M145 HydrophobicContact CG-CE 4.43Å; I57-M145 HydrophobicContact CG1-CE 4.12Å; N143-M145 VanDerWaalsContact C-N 3.31Å; N143-M145 PolarHBondContact O-N 3.31Å; M145-K149 HydrophobicContact CG-CD 4.45Å; M145-K149 WeakPolarHBondContact O-CB 3.23Å; M145-K149 WeakPolarHBondContact O-CG 3.35Å; M145-K149 PolarHBondContact O-N 2.99Å; M145-L195 HydrophobicContact SD-CD2 3.66Å
146	S	98	Very high	96.4	Very high	78 Å²	78	54.7 Å²	54.7	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-38	176.3	-177.4	0	0	0	0	112	N143 F144 T150	N143-S146 WeakPolarHBondContact O-CA 3.3Å; N143-S146 WeakPolarHBondContact O-CB 3.18Å; N143-S146 PolarHBondContact O-N 3.22Å; F144-S146 PolarHBondContact O-N 2.9Å; S146-T150 WeakPolarHBondContact O-CB 3.44Å; S146-T150 PolarHBondContact O-N 3.33Å; S146-T150 VanDerWaalsContact O-N 3.13Å; S146-T150 PolarHBondContact O-OG1 3Å
147	V	97.9	Very high	97.1	Very high	18 Å²	18	49.3 Å²	49.3	11%	0.109	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-50.7	175.6	177.2	0	0	0	0	110.2	L131 F132 N143 F144 K149 T150 I151	L131-V147 HydrophobicContact CD1-CG1 4.41Å; L131-V147 HydrophobicContact CD2-CG2 4.27Å; F132-V147 HydrophobicContact CE2-CG1 4.12Å; N143-V147 PolarHBondContact O-N 3.07Å; N143-V147 VanDerWaalsContact O-N 3.12Å; F144-V147 WeakPolarHBondContact O-CA 3.42Å; F144-V147 WeakPolarHBondContact O-CB 3.4Å; F144-V147 PolarHBondContact O-N 3.27Å; V147-K149 PolarHBondContact O-N 2.86Å; V147-T150 WeakPolarHBondContact O-CA 3.26Å; V147-T150 WeakPolarHBondContact O-CB 3.46Å; V147-T150 PolarHBondContact O-N 3.33Å; V147-I151 HydrophobicContact CG1-CD1 3.91Å; V147-I151 HydrophobicContact CG1-CG1 4.49Å; V147-I151 WeakPolarHBondContact O-CG1 3.42Å; V147-I151 PolarHBondContact O-N 3.41Å
148	A	98.5	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-46.7	178.3	0	0	0	0	0	112.1	I57 F144 T150 I151 L152	I57-A148 HydrophobicContact CG2-CB 3.7Å; F144-A148 HydrophobicContact CE1-CB 4.45Å; F144-A148 HydrophobicContact CZ-CB 4.24Å; F144-A148 PolarHBondContact O-N 2.85Å; A148-T150 VanDerWaalsContact C-N 3.27Å; A148-T150 PolarHBondContact O-N 3.11Å; A148-I151 PolarHBondContact O-N 3.24Å; A148-L152 WeakPolarHBondContact O-CB 3.42Å; A148-L152 WeakPolarHBondContact O-CG 3.2Å; A148-L152 PolarHBondContact O-N 3.15Å
149	K	98.7	Very high	98	Very high	74 Å²	74	42.3 Å²	42.3	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-38.5	174	-72.2	-172.1	-178.8	-157	0	112.5	M145 V147 K153 N194 L195	M145-K149 HydrophobicContact CG-CD 4.45Å; M145-K149 WeakPolarHBondContact O-CB 3.23Å; M145-K149 WeakPolarHBondContact O-CG 3.35Å; M145-K149 PolarHBondContact O-N 2.99Å; V147-K149 PolarHBondContact O-N 2.86Å; K149-K153 WeakPolarHBondContact O-CB 3.31Å; K149-K153 PolarHBondContact O-N 2.9Å; K149-N194 WeakPolarHBondContact CE-O 3.31Å; K149-N194 PolarHBondContact NZ-O 3.33Å; K149-L195 WeakPolarHBondContact CB-O 3.37Å; K149-L195 HydrophobicContact CG-CB 4.22Å; K149-L195 HydrophobicContact CG-CD2 4.12Å; K149-L195 VanDerWaalsContact CG-O 3.23Å; K149-L195 WeakPolarHBondContact CG-O 3.37Å
150	T	98	Very high	98.2	Very high	44 Å²	44	37.2 Å²	37.2	27%	0.27	18%	0.184	S	C	.	.	H	α-helix	trans	-68	-43.5	177.8	-60	0	0	0	0	111.6	W121 S146 V147 A148 R154	W121-T150 HydrophobicContact CH2-CG2 3.88Å; S146-T150 WeakPolarHBondContact O-CB 3.44Å; S146-T150 PolarHBondContact O-N 3.33Å; S146-T150 VanDerWaalsContact O-N 3.13Å; S146-T150 PolarHBondContact O-OG1 3Å; V147-T150 WeakPolarHBondContact O-CA 3.26Å; V147-T150 WeakPolarHBondContact O-CB 3.46Å; V147-T150 PolarHBondContact O-N 3.33Å; A148-T150 VanDerWaalsContact C-N 3.27Å; A148-T150 PolarHBondContact O-N 3.11Å; T150-R154 VanDerWaalsContact O-CG 3.31Å; T150-R154 WeakPolarHBondContact O-CG 3.31Å; T150-R154 PolarHBondContact O-N 3.47Å; T150-R154 VanDerWaalsContact O-N 3.1Å
151	I	98.5	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-57	175.7	-69.4	167	0	0	0	109.9	T61 W121 V122 Q125 L126 F132 V147 A148 K153 R154 L155	T61-I151 HydrophobicContact CG2-CB 4.3Å; T61-I151 HydrophobicContact CG2-CG2 3.64Å; W121-I151 HydrophobicContact CH2-CG1 3.96Å; W121-I151 HydrophobicContact CZ3-CG1 3.78Å; V122-I151 HydrophobicContact CG1-CG2 3.71Å; V122-I151 HydrophobicContact CG2-CG2 4Å; Q125-I151 HydrophobicContact CB-CD1 3.87Å; Q125-I151 HydrophobicContact CG-CD1 4.35Å; L126-I151 HydrophobicContact CD2-CD1 4.39Å; F132-I151 HydrophobicContact CE2-CD1 3.83Å; F132-I151 HydrophobicContact CZ-CD1 3.77Å; V147-I151 HydrophobicContact CG1-CD1 3.91Å; V147-I151 HydrophobicContact CG1-CG1 4.49Å; V147-I151 WeakPolarHBondContact O-CG1 3.42Å; V147-I151 PolarHBondContact O-N 3.41Å; A148-I151 PolarHBondContact O-N 3.24Å; I151-K153 VanDerWaalsContact C-N 3.33Å; I151-K153 PolarHBondContact O-N 3.03Å; I151-R154 PolarHBondContact O-N 3.18Å; I151-L155 HydrophobicContact CG2-CD1 3.71Å; I151-L155 HydrophobicContact CG2-CG 4.14Å; I151-L155 WeakPolarHBondContact O-CG 3.29Å; I151-L155 PolarHBondContact O-N 3.36Å
152	L	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-43.8	-177.1	-66.9	167.4	0	0	0	111.5	T61 F64 A148 R154 L155 F156 F186 V190 L195 I196	T61-L152 HydrophobicContact CG2-CD2 4.31Å; T61-L152 HydrophobicContact CG2-CG 4.46Å; F64-L152 HydrophobicContact CD2-CD2 3.96Å; A148-L152 WeakPolarHBondContact O-CB 3.42Å; A148-L152 WeakPolarHBondContact O-CG 3.2Å; A148-L152 PolarHBondContact O-N 3.15Å; L152-R154 VanDerWaalsContact C-N 3.3Å; L152-R154 PolarHBondContact O-N 3.48Å; L152-L155 PolarHBondContact O-N 3.05Å; L152-F156 PolarHBondContact O-N 2.86Å; L152-F186 HydrophobicContact CB-CE2 4.4Å; L152-F186 HydrophobicContact CB-CZ 4.26Å; L152-F186 HydrophobicContact CD2-CD2 4.5Å; L152-F186 HydrophobicContact CD2-CE2 3.71Å; L152-F186 HydrophobicContact CD2-CZ 4.37Å; L152-F186 WeakPolarHBondContact O-CZ 3.37Å; L152-V190 HydrophobicContact CB-CG1 4.38Å; L152-V190 HydrophobicContact CD1-CG1 4.35Å; L152-L195 HydrophobicContact CD1-CB 3.98Å; L152-L195 HydrophobicContact CD1-CD1 3.4Å; L152-L195 VanDerWaalsContact CD1-CD1 3.4Å; L152-L195 HydrophobicContact CD1-CG 4.24Å; L152-I196 HydrophobicContact CB-CD1 4.19Å; L152-I196 HydrophobicContact CB-CG1 4.38Å
153	K	98.4	Very high	98.3	Very high	60 Å²	60	24.4 Å²	24.4	26%	0.261	12%	0.124	S	C	.	.	H	α-helix	trans	-56.8	-43.3	174.1	176.2	173.1	67.5	172.8	0	112.8	K149 I151 I196 E200	K149-K153 WeakPolarHBondContact O-CB 3.31Å; K149-K153 PolarHBondContact O-N 2.9Å; I151-K153 VanDerWaalsContact C-N 3.33Å; I151-K153 PolarHBondContact O-N 3.03Å; K153-I196 HydrophobicContact CB-CG1 4.43Å; K153-E200 HydrophobicContact CD-CB 4.2Å; K153-E200 HydrophobicContact CD-CG 3.69Å; K153-E200 WeakPolarHBondContact CD-OE1 3.35Å; K153-E200 HydrophobicContact CG-CB 4.42Å; K153-E200 HydrophobicContact CG-CG 4.43Å; K153-E200 IonicContact NZ-OE1 2.73Å; K153-E200 PolarHBondContact NZ-OE1 3.13Å
154	R	98.5	Very high	98.3	Very high	39 Å²	39	24.5 Å²	24.5	15%	0.147	12%	0.121	C	C	.	.	H	α-helix	trans	-72.3	-38.7	-179.6	-70.1	176	178.1	-139.8	-4.3	111.2	A98 L118 T150 I151 L152 F156 R157	A98-R154 VanDerWaalsContact O-CZ 3.28Å; A98-R154 PolarHBondContact O-NH1 3.24Å; A98-R154 PolarHBondContact O-NH2 3.16Å; L118-R154 HydrophobicContact CD1-CB 3.47Å; L118-R154 VanDerWaalsContact CD1-CB 3.47Å; L118-R154 HydrophobicContact CD1-CG 4.3Å; L118-R154 HydrophobicContact CD2-CB 4.24Å; L118-R154 WeakPolarHBondContact CD2-O 3.47Å; T150-R154 VanDerWaalsContact O-CG 3.31Å; T150-R154 WeakPolarHBondContact O-CG 3.31Å; T150-R154 PolarHBondContact O-N 3.47Å; T150-R154 VanDerWaalsContact O-N 3.1Å; I151-R154 PolarHBondContact O-N 3.18Å; L152-R154 VanDerWaalsContact C-N 3.3Å; L152-R154 PolarHBondContact O-N 3.48Å; R154-F156 VanDerWaalsContact C-N 3.32Å; R154-F156 PolarHBondContact O-N 2.97Å; R154-R157 VanDerWaalsContact O-CB 3.23Å; R154-R157 WeakPolarHBondContact O-CB 3.21Å; R154-R157 PolarHBondContact O-N 2.84Å; R154-R157 VanDerWaalsContact O-N 3.07Å
155	L	98.7	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-39.4	173.8	-74.3	-178.8	0	0	0	112.4	F65 I68 M119 V122 I151 L152 R157 V158 F186	F65-L155 HydrophobicContact CB-CD1 4.2Å; F65-L155 HydrophobicContact CD2-CD2 4.32Å; I68-L155 HydrophobicContact CD1-CB 3.62Å; I68-L155 HydrophobicContact CD1-CD1 4.2Å; I68-L155 HydrophobicContact CD1-CD2 4.09Å; I68-L155 HydrophobicContact CD1-CG 4.17Å; M119-L155 HydrophobicContact SD-CD2 4.29Å; V122-L155 HydrophobicContact CG2-CD2 4.27Å; I151-L155 HydrophobicContact CG2-CD1 3.71Å; I151-L155 HydrophobicContact CG2-CG 4.14Å; I151-L155 WeakPolarHBondContact O-CG 3.29Å; I151-L155 PolarHBondContact O-N 3.36Å; L152-L155 PolarHBondContact O-N 3.05Å; L155-R157 PolarHBondContact O-N 2.88Å; L155-R157 VanDerWaalsContact O-N 3.14Å; L155-V158 WeakPolarHBondContact O-CB 3.44Å; L155-V158 PolarHBondContact O-N 2.88Å; L155-F186 HydrophobicContact CB-CE2 4.45Å
156	F	98.7	Very high	98.3	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-53.8	-33.7	172.8	171.4	-96.6	0	0	0	113	L152 R154 V158 Y159 A160 F183 F186 I187 I196 E200 L201 P203 L204 I208	L152-F156 PolarHBondContact O-N 2.86Å; R154-F156 VanDerWaalsContact C-N 3.32Å; R154-F156 PolarHBondContact O-N 2.97Å; F156-V158 PolarHBondContact O-N 3Å; F156-Y159 WeakPolarHBondContact O-CB 3.14Å; F156-Y159 PolarHBondContact O-N 3.36Å; F156-A160 HydrophobicContact CE1-CB 4.09Å; F156-A160 HydrophobicContact CZ-CB 4.3Å; F156-A160 PolarHBondContact O-N 3Å; F156-F183 HydrophobicContact CD2-CE2 4.06Å; F156-F183 AromaticContact CE2-CE2 3.84Å; F156-F183 HydrophobicContact CE2-CE2 3.84Å; F156-F183 HydrophobicContact CE2-CZ 4.07Å; F156-F186 HydrophobicContact CB-CE1 3.91Å; F156-F186 HydrophobicContact CB-CZ 4.05Å; F156-F186 HydrophobicContact CD2-CE1 4.13Å; F156-I187 HydrophobicContact CD2-CD1 4.28Å; F156-I187 HydrophobicContact CE2-CD1 4.16Å; F156-I196 HydrophobicContact CB-CD1 4.12Å; F156-E200 WeakPolarHBondContact CE1-O 3.22Å; F156-L201 HydrophobicContact CD1-CD2 4.27Å; F156-L201 HydrophobicContact CD2-CD2 3.59Å; F156-L201 HydrophobicContact CE1-CD2 4.25Å; F156-L201 HydrophobicContact CE2-CD2 3.55Å; F156-L201 HydrophobicContact CG-CD2 3.96Å; F156-L201 HydrophobicContact CZ-CB 4.41Å; F156-L201 HydrophobicContact CZ-CD2 3.91Å; F156-P203 HydrophobicContact CE1-CG 4.33Å; F156-L204 HydrophobicContact CE2-CB 4.33Å; F156-L204 HydrophobicContact CE2-CD1 3.97Å; F156-L204 HydrophobicContact CE2-CG 4.45Å; F156-L204 HydrophobicContact CZ-CB 4.07Å; F156-L204 HydrophobicContact CZ-CD1 4.12Å; F156-L204 HydrophobicContact CZ-CG 4.15Å; F156-I208 HydrophobicContact CE2-CD1 4.34Å
157	R	98.5	Very high	98.2	Very high	37 Å²	37	25.5 Å²	25.5	14%	0.14	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-30	178.7	-57.9	175.5	174.8	178.2	-7.6	112	M87 Y95 Y114 R154 L155 H161	M87-R157 HydrophobicContact CE-CB 4.11Å; M87-R157 VanDerWaalsContact CE-O 3.31Å; M87-R157 WeakPolarHBondContact CE-O 3.27Å; Y95-R157 HydrophobicContact CD1-CG 4.03Å; Y95-R157 HydrophobicContact CD2-CB 3.95Å; Y95-R157 HydrophobicContact CD2-CG 4.14Å; Y95-R157 HydrophobicContact CE1-CG 3.82Å; Y95-R157 HydrophobicContact CE2-CB 3.78Å; Y95-R157 HydrophobicContact CE2-CG 3.93Å; Y95-R157 HydrophobicContact CG-CB 4.39Å; Y95-R157 HydrophobicContact CG-CG 4.17Å; Y114-R157 PolarHBondContact OH-NH1 3.47Å; R154-R157 VanDerWaalsContact O-CB 3.23Å; R154-R157 WeakPolarHBondContact O-CB 3.21Å; R154-R157 PolarHBondContact O-N 2.84Å; R154-R157 VanDerWaalsContact O-N 3.07Å; L155-R157 PolarHBondContact O-N 2.88Å; L155-R157 VanDerWaalsContact O-N 3.14Å; R157-H161 VanDerWaalsContact O-CB 3.29Å; R157-H161 WeakPolarHBondContact O-CB 2.81Å; R157-H161 PolarHBondContact O-N 3.01Å
158	V	98.7	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.8	-46.2	176.2	-171.2	0	0	0	0	110.1	I68 Y72 I115 L118 M119 L155 F156 A160 H161 I162	I68-V158 HydrophobicContact CG2-CB 3.72Å; I68-V158 HydrophobicContact CG2-CG1 3.57Å; I68-V158 HydrophobicContact CG2-CG2 4.25Å; Y72-V158 HydrophobicContact CD2-CG1 4.37Å; I115-V158 HydrophobicContact CD1-CG1 4.26Å; I115-V158 HydrophobicContact CG1-CG2 4.35Å; L118-V158 HydrophobicContact CD2-CG2 3.57Å; M119-V158 HydrophobicContact CE-CG1 4.34Å; M119-V158 HydrophobicContact CE-CG2 4.11Å; L155-V158 WeakPolarHBondContact O-CB 3.44Å; L155-V158 PolarHBondContact O-N 2.88Å; F156-V158 PolarHBondContact O-N 3Å; V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 PolarHBondContact O-N 3.36Å; V158-H161 PolarHBondContact O-N 2.97Å; V158-I162 HydrophobicContact CG1-CD1 3.97Å; V158-I162 HydrophobicContact CG1-CG1 4.45Å; V158-I162 VanDerWaalsContact O-CG1 3.25Å; V158-I162 WeakPolarHBondContact O-CG1 3.32Å; V158-I162 PolarHBondContact O-N 2.68Å
159	Y	98.6	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-49.7	171.6	-78	-63.4	0	0	0	111.8	I68 L71 F156 H161 I162 Y163 L179 S182 F183 F186	I68-Y159 HydrophobicContact CD1-CD2 3.97Å; I68-Y159 HydrophobicContact CD1-CE2 3.43Å; I68-Y159 VanDerWaalsContact CD1-CE2 3.43Å; I68-Y159 HydrophobicContact CG1-CD2 4.2Å; I68-Y159 HydrophobicContact CG1-CE1 4.28Å; I68-Y159 HydrophobicContact CG1-CE2 3.47Å; I68-Y159 VanDerWaalsContact CG1-CE2 3.47Å; I68-Y159 WeakPolarHBondContact CG1-OH 3.41Å; L71-Y159 HydrophobicContact CD1-CE1 4.03Å; F156-Y159 WeakPolarHBondContact O-CB 3.14Å; F156-Y159 PolarHBondContact O-N 3.36Å; Y159-H161 VanDerWaalsContact C-N 3.28Å; Y159-H161 PolarHBondContact O-N 2.91Å; Y159-I162 PolarHBondContact O-N 2.8Å; Y159-I162 VanDerWaalsContact O-N 3.17Å; Y159-Y163 VanDerWaalsContact O-CD2 3.31Å; Y159-Y163 WeakPolarHBondContact O-CD2 3.31Å; Y159-Y163 PolarHBondContact O-N 3.1Å; Y159-L179 HydrophobicContact CD1-CD1 3.81Å; Y159-L179 HydrophobicContact CE1-CD1 3.96Å; Y159-S182 PolarHBondContact OH-O 3.31Å; Y159-S182 PolarHBondContact OH-OG 3.38Å; Y159-F183 HydrophobicContact CD1-CB 3.93Å; Y159-F183 AromaticContact CD1-CD2 3.74Å; Y159-F183 HydrophobicContact CD1-CD2 3.74Å; Y159-F183 HydrophobicContact CD1-CG 4.2Å; Y159-F183 AromaticContact CD2-CD2 3.78Å; Y159-F183 HydrophobicContact CD2-CD2 3.78Å; Y159-F183 HydrophobicContact CD2-CE2 4.36Å; Y159-F183 HydrophobicContact CE1-CB 3.84Å; Y159-F183 HydrophobicContact CE1-CD2 4.24Å; Y159-F183 HydrophobicContact CE2-CD2 4.25Å; Y159-F183 AromaticContact CG-CD2 3.49Å; Y159-F183 HydrophobicContact CG-CD2 3.49Å; Y159-F183 VanDerWaalsContact CG-CD2 3.49Å; Y159-F183 HydrophobicContact CG-CE2 4.12Å; Y159-F183 HydrophobicContact CG-CG 4.39Å; Y159-F186 HydrophobicContact CD2-CD1 4.31Å; Y159-F186 HydrophobicContact CD2-CG 4.33Å; Y159-F186 HydrophobicContact CE2-CB 3.92Å; Y159-F186 HydrophobicContact CE2-CD1 4.17Å; Y159-F186 AromaticContact CE2-CD2 3.95Å; Y159-F186 HydrophobicContact CE2-CD2 3.95Å; Y159-F186 AromaticContact CE2-CG 3.74Å; Y159-F186 HydrophobicContact CE2-CG 3.74Å
160	A	98.5	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-41.9	179.5	0	0	0	0	0	111.9	A89 F156 V158 H164 P203 L204	A89-A160 HydrophobicContact CB-CB 3.55Å; F156-A160 HydrophobicContact CE1-CB 4.09Å; F156-A160 HydrophobicContact CZ-CB 4.3Å; F156-A160 PolarHBondContact O-N 3Å; V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 PolarHBondContact O-N 3.36Å; A160-H164 WeakPolarHBondContact O-CB 3.12Å; A160-H164 PolarHBondContact O-CD2 3.09Å; A160-H164 VanDerWaalsContact O-CD2 3.24Å; A160-H164 PolarHBondContact O-N 3.47Å; A160-P203 HydrophobicContact CB-CB 4.25Å; A160-L204 HydrophobicContact CB-CD1 4.11Å; A160-L204 HydrophobicContact CB-CG 4.11Å
161	H	98.5	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-48.4	174.1	178.3	64.5	0	0	0	112.4	C79 M87 S88 A111 R157 V158 Y159 Y163 H164 Q165 H166	C79-H161 PolarHBondContact SG-NE2 3.19Å; C79-H161 VanDerWaalsContact SG-NE2 3.43Å; M87-H161 HydrophobicContact CE-CB 3.58Å; M87-H161 HydrophobicContact SD-CB 4.1Å; S88-H161 WeakPolarHBondContact O-CA 3.32Å; S88-H161 PolarHBondContact O-ND1 3.04Å; A111-H161 WeakPolarHBondContact CB-CE1 3.48Å; A111-H161 WeakPolarHBondContact CB-NE2 3.18Å; R157-H161 VanDerWaalsContact O-CB 3.29Å; R157-H161 WeakPolarHBondContact O-CB 2.81Å; R157-H161 PolarHBondContact O-N 3.01Å; V158-H161 PolarHBondContact O-N 2.97Å; Y159-H161 VanDerWaalsContact C-N 3.28Å; Y159-H161 PolarHBondContact O-N 2.91Å; H161-Y163 PolarHBondContact O-N 2.92Å; H161-H164 PolarHBondContact O-N 3.26Å; H161-Q165 WeakPolarHBondContact O-CB 2.97Å; H161-Q165 PolarHBondContact O-N 2.9Å; H161-H166 AromaticContact CD2-CD2 3.93Å; H161-H166 AromaticContact CE1-NE2 3.97Å; H161-H166 AromaticContact NE2-CD2 3.42Å; H161-H166 PolarHBondContact NE2-CD2 3.35Å; H161-H166 AromaticContact NE2-NE2 3.34Å; H161-H166 PolarHBondContact NE2-NE2 2.81Å
162	I	98.4	Very high	97.7	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	18%	0.175	C	C	.	.	I	π-helix	trans	-58.1	-50.5	179.8	-67	168.3	0	0	0	110.9	I75 V158 Y159 H164 H166 F167 V170 L179	I75-I162 HydrophobicContact CD1-CD1 4.46Å; I75-I162 HydrophobicContact CD1-CG1 3.81Å; I75-I162 HydrophobicContact CD1-CG2 4.46Å; V158-I162 HydrophobicContact CG1-CD1 3.97Å; V158-I162 HydrophobicContact CG1-CG1 4.45Å; V158-I162 VanDerWaalsContact O-CG1 3.25Å; V158-I162 WeakPolarHBondContact O-CG1 3.32Å; V158-I162 PolarHBondContact O-N 2.68Å; Y159-I162 PolarHBondContact O-N 2.8Å; Y159-I162 VanDerWaalsContact O-N 3.17Å; I162-H164 VanDerWaalsContact C-N 3.31Å; I162-H164 PolarHBondContact O-N 3.36Å; I162-H166 CarbonylContact O-C 3.55Å; I162-H166 VanDerWaalsContact O-C 3.31Å; I162-H166 WeakPolarHBondContact O-CA 3.29Å; I162-H166 PolarHBondContact O-N 3.48Å; I162-F167 PolarHBondContact O-N 2.9Å; I162-V170 HydrophobicContact CG2-CG2 3.84Å; I162-L179 HydrophobicContact CG2-CD1 4.04Å; I162-L179 HydrophobicContact CG2-CD2 3.72Å
163	Y	97.9	Very high	97.6	Very high	26 Å²	26	39.2 Å²	39.2	10%	0.102	19%	0.186	C	C	.	.	I	π-helix	trans	-63.2	-34	-179.4	-85.6	-71.4	0	0	0	113.5	Y159 H161 F167 L179 N180 F183 L204 L207	Y159-Y163 VanDerWaalsContact O-CD2 3.31Å; Y159-Y163 WeakPolarHBondContact O-CD2 3.31Å; Y159-Y163 PolarHBondContact O-N 3.1Å; H161-Y163 PolarHBondContact O-N 2.92Å; Y163-F167 AromaticContact CD1-CD2 3.73Å; Y163-F167 HydrophobicContact CD1-CD2 3.73Å; Y163-F167 HydrophobicContact CD1-CE2 4.01Å; Y163-F167 HydrophobicContact CE1-CD2 4.02Å; Y163-F167 AromaticContact CE1-CE2 3.85Å; Y163-F167 HydrophobicContact CE1-CE2 3.85Å; Y163-F167 WeakPolarHBondContact O-CB 3.36Å; Y163-L179 HydrophobicContact CD1-CD2 4.17Å; Y163-L179 HydrophobicContact CD2-CD2 4.47Å; Y163-L179 HydrophobicContact CE1-CD2 3.82Å; Y163-L179 HydrophobicContact CE1-CG 4.25Å; Y163-L179 HydrophobicContact CE2-CD1 4.14Å; Y163-L179 HydrophobicContact CE2-CD2 4.14Å; Y163-L179 HydrophobicContact CE2-CG 4.01Å; Y163-L179 HydrophobicContact CG-CD2 4.48Å; Y163-N180 WeakPolarHBondContact CE1-OD1 3.25Å; Y163-N180 WeakPolarHBondContact OH-CA 3.32Å; Y163-N180 PolarHBondContact OH-OD1 3.06Å; Y163-F183 HydrophobicContact CE2-CB 3.93Å; Y163-F183 AromaticContact CE2-CD1 3.59Å; Y163-F183 HydrophobicContact CE2-CD1 3.59Å; Y163-F183 HydrophobicContact CE2-CD2 4.17Å; Y163-F183 HydrophobicContact CE2-CE1 4.14Å; Y163-F183 AromaticContact CE2-CG 3.62Å; Y163-F183 HydrophobicContact CE2-CG 3.62Å; Y163-F183 AromaticContact CZ-CD1 3.91Å; Y163-L204 HydrophobicContact CD2-CD1 3.76Å; Y163-L204 HydrophobicContact CD2-CD2 4.35Å; Y163-L204 HydrophobicContact CE2-CD1 4.42Å; Y163-L204 HydrophobicContact CG-CD1 4.44Å; Y163-L204 HydrophobicContact CG-CD2 4.22Å; Y163-L207 HydrophobicContact CD1-CD2 3.73Å; Y163-L207 HydrophobicContact CD2-CD2 4.02Å; Y163-L207 HydrophobicContact CE1-CD2 3.49Å; Y163-L207 VanDerWaalsContact CE1-CD2 3.49Å; Y163-L207 HydrophobicContact CE2-CD2 3.8Å; Y163-L207 HydrophobicContact CG-CD2 3.98Å
164	H	97.4	Very high	97.4	Very high	81 Å²	81	43.8 Å²	43.8	38%	0.375	21%	0.208	S	C	.	.	I	π-helix	trans	-87.2	-29.6	-178	-85.1	-85.2	0	0	0	114	G90 A160 H161 I162 P203	G90-H164 WeakPolarHBondContact CA-ND1 2.92Å; G90-H164 VanDerWaalsContact N-CG 3.35Å; A160-H164 WeakPolarHBondContact O-CB 3.12Å; A160-H164 PolarHBondContact O-CD2 3.09Å; A160-H164 VanDerWaalsContact O-CD2 3.24Å; A160-H164 PolarHBondContact O-N 3.47Å; H161-H164 PolarHBondContact O-N 3.26Å; I162-H164 VanDerWaalsContact C-N 3.31Å; I162-H164 PolarHBondContact O-N 3.36Å; H164-P203 PolarHBondContact NE2-O 2.87Å
165	Q	97.4	Very high	97.2	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	21%	0.214	S	C	.	.	I	π-helix	trans	-118.1	-23.4	-169	-58.7	-60.6	-72.8	0	0	113.7	H161	H161-Q165 WeakPolarHBondContact O-CB 2.97Å; H161-Q165 PolarHBondContact O-N 2.9Å
166	H	97.6	Very high	97	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.028	23%	0.228	C	C	.	.	I	π-helix	trans	-130.2	9.7	-171.7	-65.3	-60.1	0	0	0	113.8	I75 F78 C79 C84 H161 I162 D168 S169 V170	I75-H166 HydrophobicContact CD1-CB 3.6Å; F78-H166 PolarHBondContact O-CE1 3.39Å; C79-H166 VanDerWaalsContact CB-NE2 3.32Å; C79-H166 WeakPolarHBondContact CB-NE2 3.27Å; C79-H166 PolarHBondContact SG-NE2 3.32Å; C84-H166 VanDerWaalsContact SG-CE1 3.54Å; C84-H166 PolarHBondContact SG-NE2 2.89Å; H161-H166 AromaticContact CD2-CD2 3.93Å; H161-H166 AromaticContact CE1-NE2 3.97Å; H161-H166 AromaticContact NE2-CD2 3.42Å; H161-H166 PolarHBondContact NE2-CD2 3.35Å; H161-H166 AromaticContact NE2-NE2 3.34Å; H161-H166 PolarHBondContact NE2-NE2 2.81Å; I162-H166 CarbonylContact O-C 3.55Å; I162-H166 VanDerWaalsContact O-C 3.31Å; I162-H166 WeakPolarHBondContact O-CA 3.29Å; I162-H166 PolarHBondContact O-N 3.48Å; H166-D168 VanDerWaalsContact C-N 3.27Å; H166-D168 PolarHBondContact O-N 3.43Å; H166-S169 WeakPolarHBondContact O-CB 3.45Å; H166-S169 PolarHBondContact O-N 2.89Å; H166-S169 VanDerWaalsContact O-N 3.08Å; H166-V170 WeakPolarHBondContact O-CG2 3.27Å; H166-V170 PolarHBondContact O-N 3.19Å
167	F	96.6	Very high	96.7	Very high	61 Å²	61	50.6 Å²	50.6	27%	0.268	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-37.5	-179.7	-167.7	-107.8	0	0	0	112.2	I162 Y163 S169 V170 M171 E176 L179	I162-F167 PolarHBondContact O-N 2.9Å; Y163-F167 AromaticContact CD1-CD2 3.73Å; Y163-F167 HydrophobicContact CD1-CD2 3.73Å; Y163-F167 HydrophobicContact CD1-CE2 4.01Å; Y163-F167 HydrophobicContact CE1-CD2 4.02Å; Y163-F167 AromaticContact CE1-CE2 3.85Å; Y163-F167 HydrophobicContact CE1-CE2 3.85Å; Y163-F167 WeakPolarHBondContact O-CB 3.36Å; F167-S169 VanDerWaalsContact C-N 3.34Å; F167-S169 PolarHBondContact O-N 3.38Å; F167-V170 WeakPolarHBondContact O-CB 3.17Å; F167-V170 PolarHBondContact O-N 2.76Å; F167-M171 HydrophobicContact CD1-CG 4.15Å; F167-M171 HydrophobicContact CD1-SD 3.86Å; F167-M171 HydrophobicContact CE1-CG 3.86Å; F167-M171 HydrophobicContact CE1-SD 3.49Å; F167-M171 WeakPolarHBondContact CE1-SD 3.4Å; F167-M171 HydrophobicContact CZ-CG 4.22Å; F167-M171 HydrophobicContact CZ-SD 4.31Å; F167-M171 WeakPolarHBondContact O-CG 3.21Å; F167-M171 PolarHBondContact O-N 3.3Å; F167-E176 HydrophobicContact CE2-CB 4.33Å; F167-E176 HydrophobicContact CZ-CB 4.4Å; F167-L179 HydrophobicContact CD2-CD2 4.11Å; F167-L179 HydrophobicContact CE2-CD2 4.33Å
168	D	96.6	Very high	96.3	Very high	119 Å²	119	54.1 Å²	54.1	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-61.4	-41.9	174	-67.7	-21.2	0	0	0	111.9	H166 M171 Q172	H166-D168 VanDerWaalsContact C-N 3.27Å; H166-D168 PolarHBondContact O-N 3.43Å; D168-M171 PolarHBondContact O-N 3.26Å; D168-Q172 VanDerWaalsContact O-CG 3.28Å; D168-Q172 WeakPolarHBondContact O-CG 3.35Å; D168-Q172 PolarHBondContact O-N 3.14Å
169	S	97	Very high	96.2	Very high	17 Å²	17	54.1 Å²	54.1	12%	0.119	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.1	174.6	-54.3	0	0	0	0	111.4	H166 F167 M171 Q172 L173	H166-S169 WeakPolarHBondContact O-CB 3.45Å; H166-S169 PolarHBondContact O-N 2.89Å; H166-S169 VanDerWaalsContact O-N 3.08Å; F167-S169 VanDerWaalsContact C-N 3.34Å; F167-S169 PolarHBondContact O-N 3.38Å; S169-M171 VanDerWaalsContact C-N 3.32Å; S169-M171 PolarHBondContact O-N 3.34Å; S169-Q172 PolarHBondContact O-N 2.93Å; S169-L173 VanDerWaalsContact O-CG 3.29Å; S169-L173 WeakPolarHBondContact O-CG 3.39Å; S169-L173 PolarHBondContact O-N 3.42Å
170	V	96.2	Very high	95.9	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-42.7	175.6	170.1	0	0	0	0	111.1	I75 I162 H166 F167 L173 Q174 E175 E176 L179	I75-V170 HydrophobicContact CG2-CG2 3.89Å; I162-V170 HydrophobicContact CG2-CG2 3.84Å; H166-V170 WeakPolarHBondContact O-CG2 3.27Å; H166-V170 PolarHBondContact O-N 3.19Å; F167-V170 WeakPolarHBondContact O-CB 3.17Å; F167-V170 PolarHBondContact O-N 2.76Å; V170-L173 CarbonylContact O-C 3.56Å; V170-L173 PolarHBondContact O-N 3.43Å; V170-Q174 PolarHBondContact O-N 3.36Å; V170-Q174 VanDerWaalsContact O-N 3.09Å; V170-E175 HydrophobicContact CG1-CB 4.07Å; V170-E175 PolarHBondContact O-N 3.25Å; V170-E176 HydrophobicContact CG1-CB 4.11Å; V170-L179 HydrophobicContact CG1-CB 4.27Å; V170-L179 HydrophobicContact CG1-CD2 3.98Å; V170-L179 HydrophobicContact CG2-CD2 4.29Å
171	M	95.2	Very high	95.6	Very high	97 Å²	97	60.2 Å²	60.2	48%	0.478	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-41.1	175.3	-72	-174.6	68.8	0	0	112.4	F167 D168 S169 L173 Q174	F167-M171 HydrophobicContact CD1-CG 4.15Å; F167-M171 HydrophobicContact CD1-SD 3.86Å; F167-M171 HydrophobicContact CE1-CG 3.86Å; F167-M171 HydrophobicContact CE1-SD 3.49Å; F167-M171 WeakPolarHBondContact CE1-SD 3.4Å; F167-M171 HydrophobicContact CZ-CG 4.22Å; F167-M171 HydrophobicContact CZ-SD 4.31Å; F167-M171 WeakPolarHBondContact O-CG 3.21Å; F167-M171 PolarHBondContact O-N 3.3Å; D168-M171 PolarHBondContact O-N 3.26Å; S169-M171 VanDerWaalsContact C-N 3.32Å; S169-M171 PolarHBondContact O-N 3.34Å; M171-L173 PolarHBondContact O-N 2.89Å; M171-Q174 PolarHBondContact O-N 3.17Å
172	Q	96	Very high	95.4	Very high	145 Å²	145	60.6 Å²	60.6	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-62.9	-32.8	175.9	-73.4	171.9	22.8	0	0	112.1	D168 S169 Q174	D168-Q172 VanDerWaalsContact O-CG 3.28Å; D168-Q172 WeakPolarHBondContact O-CG 3.35Å; D168-Q172 PolarHBondContact O-N 3.14Å; S169-Q172 PolarHBondContact O-N 2.93Å; Q172-Q174 VanDerWaalsContact C-N 3.32Å
173	L	96.1	Very high	95.2	Very high	42 Å²	42	60.4 Å²	60.4	22%	0.22	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.4	174.5	-65.9	172.7	0	0	0	113.6	I75 F78 S169 V170 M171 E175	I75-L173 HydrophobicContact CG2-CD1 4.03Å; F78-L173 HydrophobicContact CE2-CD1 3.92Å; F78-L173 HydrophobicContact CE2-CD2 4.41Å; F78-L173 HydrophobicContact CE2-CG 4.36Å; S169-L173 VanDerWaalsContact O-CG 3.29Å; S169-L173 WeakPolarHBondContact O-CG 3.39Å; S169-L173 PolarHBondContact O-N 3.42Å; V170-L173 CarbonylContact O-C 3.56Å; V170-L173 PolarHBondContact O-N 3.43Å; M171-L173 PolarHBondContact O-N 2.89Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 HydrophobicContact CB-CB 4.46Å; L173-E175 HydrophobicContact CB-CG 3.91Å; L173-E175 PolarHBondContact O-N 3.43Å
174	Q	95.5	Very high	95	Very high	156 Å²	156	61 Å²	61	73%	0.729	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	34.4	-175.2	-54	179.3	4	0	0	113.4	V170 M171 Q172 E176	V170-Q174 PolarHBondContact O-N 3.36Å; V170-Q174 VanDerWaalsContact O-N 3.09Å; M171-Q174 PolarHBondContact O-N 3.17Å; Q172-Q174 VanDerWaalsContact C-N 3.32Å; Q174-E176 VanDerWaalsContact C-OE2 3.26Å; Q174-E176 WeakPolarHBondContact CA-OE2 3.31Å
175	E	94.4	Very high	94.8	Very high	57 Å²	57	57.2 Å²	57.2	27%	0.266	29%	0.292	S	S	.	.			trans	-103.8	4.5	-176.7	-67.9	-66.2	176.4	0	0	113.1	V170 L173 A177 H178 L179	V170-E175 HydrophobicContact CG1-CB 4.07Å; V170-E175 PolarHBondContact O-N 3.25Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 HydrophobicContact CB-CB 4.46Å; L173-E175 HydrophobicContact CB-CG 3.91Å; L173-E175 PolarHBondContact O-N 3.43Å; E175-A177 VanDerWaalsContact C-N 3.26Å; E175-A177 PolarHBondContact O-N 2.9Å; E175-H178 PolarHBondContact O-N 3.25Å; E175-H178 VanDerWaalsContact O-N 3.15Å; E175-H178 IonicContact OE2-CE1 2.8Å; E175-H178 IonicContact OE2-CG 3.9Å; E175-H178 IonicContact OE2-ND1 2.9Å; E175-H178 PolarHBondContact OE2-ND1 3.35Å; E175-L179 PolarHBondContact O-N 3.21Å
176	E	93.7	Very high	94.8	Very high	66 Å²	66	53.2 Å²	53.2	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-31.2	-174.9	70.2	-78	-176.9	0	0	112.8	F167 V170 Q174 N180	F167-E176 HydrophobicContact CE2-CB 4.33Å; F167-E176 HydrophobicContact CZ-CB 4.4Å; V170-E176 HydrophobicContact CG1-CB 4.11Å; Q174-E176 VanDerWaalsContact C-OE2 3.26Å; Q174-E176 WeakPolarHBondContact CA-OE2 3.31Å; E176-N180 VanDerWaalsContact O-CB 3.22Å; E176-N180 WeakPolarHBondContact O-CB 3.41Å; E176-N180 PolarHBondContact O-N 2.93Å; E176-N180 PolarHBondContact O-ND2 3.17Å
177	A	91.5	Very high	94.7	Very high	59 Å²	59	53 Å²	53	49%	0.488	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-42.4	176	0	0	0	0	0	111.7	E175 T181	E175-A177 VanDerWaalsContact C-N 3.26Å; E175-A177 PolarHBondContact O-N 2.9Å; A177-T181 WeakPolarHBondContact O-CB 3.29Å; A177-T181 PolarHBondContact O-N 3.32Å; A177-T181 PolarHBondContact O-OG1 3Å
178	H	91.8	Very high	94.6	Very high	111 Å²	111	50.3 Å²	50.3	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-68.2	-46.5	177.2	-62.4	109.9	0	0	0	111.2	L71 E175 N180 T181 S182	L71-H178 HydrophobicContact CD2-CB 4.21Å; E175-H178 PolarHBondContact O-N 3.25Å; E175-H178 VanDerWaalsContact O-N 3.15Å; E175-H178 IonicContact OE2-CE1 2.8Å; E175-H178 IonicContact OE2-CG 3.9Å; E175-H178 IonicContact OE2-ND1 2.9Å; E175-H178 PolarHBondContact OE2-ND1 3.35Å; H178-N180 PolarHBondContact O-N 3.46Å; H178-T181 PolarHBondContact O-N 2.88Å; H178-S182 VanDerWaalsContact O-CB 3.26Å; H178-S182 WeakPolarHBondContact O-CB 3.5Å; H178-S182 PolarHBondContact O-N 2.94Å
179	L	95.1	Very high	94.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-49.4	175.6	176.5	64.1	0	0	0	111.2	L71 Y159 I162 Y163 F167 V170 E175 S182 F183	L71-L179 HydrophobicContact CD1-CD1 4.19Å; L71-L179 HydrophobicContact CD2-CB 4.43Å; Y159-L179 HydrophobicContact CD1-CD1 3.81Å; Y159-L179 HydrophobicContact CE1-CD1 3.96Å; I162-L179 HydrophobicContact CG2-CD1 4.04Å; I162-L179 HydrophobicContact CG2-CD2 3.72Å; Y163-L179 HydrophobicContact CD1-CD2 4.17Å; Y163-L179 HydrophobicContact CD2-CD2 4.47Å; Y163-L179 HydrophobicContact CE1-CD2 3.82Å; Y163-L179 HydrophobicContact CE1-CG 4.25Å; Y163-L179 HydrophobicContact CE2-CD1 4.14Å; Y163-L179 HydrophobicContact CE2-CD2 4.14Å; Y163-L179 HydrophobicContact CE2-CG 4.01Å; Y163-L179 HydrophobicContact CG-CD2 4.48Å; F167-L179 HydrophobicContact CD2-CD2 4.11Å; F167-L179 HydrophobicContact CE2-CD2 4.33Å; V170-L179 HydrophobicContact CG1-CB 4.27Å; V170-L179 HydrophobicContact CG1-CD2 3.98Å; V170-L179 HydrophobicContact CG2-CD2 4.29Å; E175-L179 PolarHBondContact O-N 3.21Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-F183 WeakPolarHBondContact O-CB 3.38Å; L179-F183 PolarHBondContact O-N 2.87Å
180	N	93.1	Very high	94.6	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-40.5	-178.2	-72.9	-35.6	0	0	0	112.7	Y163 E176 H178 K184	Y163-N180 WeakPolarHBondContact CE1-OD1 3.25Å; Y163-N180 WeakPolarHBondContact OH-CA 3.32Å; Y163-N180 PolarHBondContact OH-OD1 3.06Å; E176-N180 VanDerWaalsContact O-CB 3.22Å; E176-N180 WeakPolarHBondContact O-CB 3.41Å; E176-N180 PolarHBondContact O-N 2.93Å; E176-N180 PolarHBondContact O-ND2 3.17Å; H178-N180 PolarHBondContact O-N 3.46Å; N180-K184 WeakPolarHBondContact O-CB 3.38Å; N180-K184 PolarHBondContact O-N 3.23Å
181	T	91.6	Very high	94.5	Very high	76 Å²	76	48 Å²	48	47%	0.466	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-48	178.5	-57.9	0	0	0	0	110.8	A177 H178 K184 H185	A177-T181 WeakPolarHBondContact O-CB 3.29Å; A177-T181 PolarHBondContact O-N 3.32Å; A177-T181 PolarHBondContact O-OG1 3Å; H178-T181 PolarHBondContact O-N 2.88Å; T181-K184 PolarHBondContact O-N 3.08Å; T181-H185 WeakPolarHBondContact O-CB 3.31Å; T181-H185 PolarHBondContact O-N 3.44Å
182	S	94	Very high	94.5	Very high	8 Å²	8	48.3 Å²	48.3	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-44.2	178.7	-169.5	0	0	0	0	111.7	Q67 Y159 H178 L179 H185 F186	Q67-S182 WeakPolarHBondContact CB-OG 3.15Å; Q67-S182 PolarHBondContact OE1-OG 3.45Å; Y159-S182 PolarHBondContact OH-O 3.31Å; Y159-S182 PolarHBondContact OH-OG 3.38Å; H178-S182 VanDerWaalsContact O-CB 3.26Å; H178-S182 WeakPolarHBondContact O-CB 3.5Å; H178-S182 PolarHBondContact O-N 2.94Å; L179-S182 PolarHBondContact O-N 3.35Å; S182-H185 PolarHBondContact O-N 2.89Å; S182-F186 WeakPolarHBondContact O-CB 3.47Å; S182-F186 PolarHBondContact O-N 2.91Å
183	F	95.6	Very high	94.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-41	176	-177.9	-119.5	0	0	0	112.6	F156 Y159 Y163 L179 F186 I187 L204 L207 I208 L211	F156-F183 HydrophobicContact CD2-CE2 4.06Å; F156-F183 AromaticContact CE2-CE2 3.84Å; F156-F183 HydrophobicContact CE2-CE2 3.84Å; F156-F183 HydrophobicContact CE2-CZ 4.07Å; Y159-F183 HydrophobicContact CD1-CB 3.93Å; Y159-F183 AromaticContact CD1-CD2 3.74Å; Y159-F183 HydrophobicContact CD1-CD2 3.74Å; Y159-F183 HydrophobicContact CD1-CG 4.2Å; Y159-F183 AromaticContact CD2-CD2 3.78Å; Y159-F183 HydrophobicContact CD2-CD2 3.78Å; Y159-F183 HydrophobicContact CD2-CE2 4.36Å; Y159-F183 HydrophobicContact CE1-CB 3.84Å; Y159-F183 HydrophobicContact CE1-CD2 4.24Å; Y159-F183 HydrophobicContact CE2-CD2 4.25Å; Y159-F183 AromaticContact CG-CD2 3.49Å; Y159-F183 HydrophobicContact CG-CD2 3.49Å; Y159-F183 VanDerWaalsContact CG-CD2 3.49Å; Y159-F183 HydrophobicContact CG-CE2 4.12Å; Y159-F183 HydrophobicContact CG-CG 4.39Å; Y163-F183 HydrophobicContact CE2-CB 3.93Å; Y163-F183 AromaticContact CE2-CD1 3.59Å; Y163-F183 HydrophobicContact CE2-CD1 3.59Å; Y163-F183 HydrophobicContact CE2-CD2 4.17Å; Y163-F183 HydrophobicContact CE2-CE1 4.14Å; Y163-F183 AromaticContact CE2-CG 3.62Å; Y163-F183 HydrophobicContact CE2-CG 3.62Å; Y163-F183 AromaticContact CZ-CD1 3.91Å; L179-F183 WeakPolarHBondContact O-CB 3.38Å; L179-F183 PolarHBondContact O-N 2.87Å; F183-F186 WeakPolarHBondContact O-CB 3.39Å; F183-F186 PolarHBondContact O-N 3.22Å; F183-I187 HydrophobicContact CD1-CG1 4.32Å; F183-I187 HydrophobicContact CD2-CG1 3.99Å; F183-I187 HydrophobicContact CE1-CG1 3.88Å; F183-I187 HydrophobicContact CE2-CD1 3.68Å; F183-I187 HydrophobicContact CE2-CG1 3.54Å; F183-I187 HydrophobicContact CG-CG1 4.37Å; F183-I187 HydrophobicContact CZ-CD1 3.68Å; F183-I187 HydrophobicContact CZ-CG1 3.46Å; F183-I187 VanDerWaalsContact CZ-CG1 3.46Å; F183-I187 WeakPolarHBondContact O-CB 3.42Å; F183-I187 VanDerWaalsContact O-CG1 3.31Å; F183-I187 WeakPolarHBondContact O-CG1 3.28Å; F183-I187 PolarHBondContact O-N 3.21Å; F183-L204 HydrophobicContact CE1-CD1 4.04Å; F183-L204 HydrophobicContact CE2-CD1 3.66Å; F183-L204 HydrophobicContact CZ-CB 4.08Å; F183-L204 HydrophobicContact CZ-CD1 3.34Å; F183-L204 HydrophobicContact CZ-CG 4.38Å; F183-L207 HydrophobicContact CD1-CD2 3.96Å; F183-L207 HydrophobicContact CE1-CD2 3.63Å; F183-L207 HydrophobicContact CE1-CG 4.02Å; F183-I208 HydrophobicContact CE1-CG1 4.15Å; F183-I208 HydrophobicContact CZ-CD1 4.31Å; F183-I208 HydrophobicContact CZ-CG1 3.92Å; F183-L211 HydrophobicContact CD1-CD1 3.64Å; F183-L211 HydrophobicContact CE1-CD1 3.77Å
184	K	93.4	Very high	94.7	Very high	39 Å²	39	46.7 Å²	46.7	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-44.1	177.3	-172.7	175	175.6	-170.2	0	111.4	L41 N180 T181 I187 F188 L211 D215	L41-K184 HydrophobicContact CD1-CB 3.84Å; L41-K184 HydrophobicContact CD1-CD 3.58Å; L41-K184 HydrophobicContact CD1-CG 3.58Å; N180-K184 WeakPolarHBondContact O-CB 3.38Å; N180-K184 PolarHBondContact O-N 3.23Å; T181-K184 PolarHBondContact O-N 3.08Å; K184-I187 PolarHBondContact O-N 2.95Å; K184-F188 HydrophobicContact CD-CE2 4.35Å; K184-F188 HydrophobicContact CD-CZ 4.3Å; K184-F188 VanDerWaalsContact CE-CE2 3.5Å; K184-F188 HydrophobicContact CG-CD2 4.36Å; K184-F188 HydrophobicContact CG-CE1 4.28Å; K184-F188 HydrophobicContact CG-CE2 3.93Å; K184-F188 HydrophobicContact CG-CZ 3.89Å; K184-F188 WeakPolarHBondContact O-CG 3.48Å; K184-F188 PolarHBondContact O-N 3.36Å; K184-L211 HydrophobicContact CB-CD1 4.46Å; K184-L211 HydrophobicContact CB-CD2 4.48Å; K184-L211 HydrophobicContact CD-CD2 4.18Å; K184-L211 HydrophobicContact CG-CD2 4.45Å; K184-D215 WeakPolarHBondContact CE-OD2 3.4Å; K184-D215 IonicContact NZ-OD1 3.28Å; K184-D215 PolarHBondContact NZ-OD1 2.86Å; K184-D215 IonicContact NZ-OD2 3.85Å; K184-D215 PolarHBondContact NZ-OD2 3.31Å
185	H	93.5	Very high	94.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-50.1	173.4	-179.5	-147.9	0	0	0	111	L36 L41 V45 D63 F64 T181 S182 I187 F188 F189	L36-H185 HydrophobicContact CD2-CB 4.23Å; L41-H185 HydrophobicContact CD2-CB 4.33Å; V45-H185 VanDerWaalsContact CG1-CD2 3.4Å; V45-H185 WeakPolarHBondContact CG1-CD2 3.31Å; D63-H185 IonicContact OD2-CE1 3.85Å; F64-H185 HydrophobicContact CE1-CB 4.25Å; F64-H185 AromaticContact CE1-CE1 3.62Å; F64-H185 AromaticContact CE1-CG 3.7Å; F64-H185 AromaticContact CE1-ND1 3.31Å; F64-H185 VanDerWaalsContact CE1-ND1 3.31Å; F64-H185 WeakPolarHBondContact CE1-ND1 3.28Å; F64-H185 AromaticContact CZ-CE1 3.64Å; F64-H185 AromaticContact CZ-ND1 3.78Å; F64-H185 AromaticContact CZ-NE2 3.84Å; T181-H185 WeakPolarHBondContact O-CB 3.31Å; T181-H185 PolarHBondContact O-N 3.44Å; S182-H185 PolarHBondContact O-N 2.89Å; H185-I187 PolarHBondContact O-N 2.95Å; H185-F188 PolarHBondContact O-N 2.65Å; H185-F189 WeakPolarHBondContact O-CB 3.35Å; H185-F189 PolarHBondContact O-N 3.13Å
186	F	96.7	Very high	95	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-49.5	176.8	-179.8	-87	0	0	0	112.5	F64 L152 L155 F156 Y159 S182 F183 F188 F189 V190 I196	F64-F186 HydrophobicContact CB-CD2 3.99Å; F64-F186 HydrophobicContact CB-CE2 4.41Å; F64-F186 HydrophobicContact CD1-CB 3.94Å; F64-F186 AromaticContact CD1-CD2 3.78Å; F64-F186 HydrophobicContact CD1-CD2 3.78Å; F64-F186 HydrophobicContact CD1-CG 4.37Å; F64-F186 AromaticContact CD2-CD2 3.96Å; F64-F186 HydrophobicContact CD2-CD2 3.96Å; F64-F186 HydrophobicContact CD2-CE2 4.48Å; F64-F186 HydrophobicContact CE1-CB 3.81Å; F64-F186 HydrophobicContact CE1-CD2 4.27Å; F64-F186 HydrophobicContact CE2-CD2 4.45Å; F64-F186 AromaticContact CG-CD2 3.64Å; F64-F186 HydrophobicContact CG-CD2 3.64Å; F64-F186 HydrophobicContact CG-CE2 4.36Å; F64-F186 HydrophobicContact CZ-CB 4.4Å; L152-F186 HydrophobicContact CB-CE2 4.4Å; L152-F186 HydrophobicContact CB-CZ 4.26Å; L152-F186 HydrophobicContact CD2-CD2 4.5Å; L152-F186 HydrophobicContact CD2-CE2 3.71Å; L152-F186 HydrophobicContact CD2-CZ 4.37Å; L152-F186 WeakPolarHBondContact O-CZ 3.37Å; L155-F186 HydrophobicContact CB-CE2 4.45Å; F156-F186 HydrophobicContact CB-CE1 3.91Å; F156-F186 HydrophobicContact CB-CZ 4.05Å; F156-F186 HydrophobicContact CD2-CE1 4.13Å; Y159-F186 HydrophobicContact CD2-CD1 4.31Å; Y159-F186 HydrophobicContact CD2-CG 4.33Å; Y159-F186 HydrophobicContact CE2-CB 3.92Å; Y159-F186 HydrophobicContact CE2-CD1 4.17Å; Y159-F186 AromaticContact CE2-CD2 3.95Å; Y159-F186 HydrophobicContact CE2-CD2 3.95Å; Y159-F186 AromaticContact CE2-CG 3.74Å; Y159-F186 HydrophobicContact CE2-CG 3.74Å; S182-F186 WeakPolarHBondContact O-CB 3.47Å; S182-F186 PolarHBondContact O-N 2.91Å; F183-F186 WeakPolarHBondContact O-CB 3.39Å; F183-F186 PolarHBondContact O-N 3.22Å; F186-F188 PolarHBondContact O-N 3.42Å; F186-F189 PolarHBondContact O-N 2.88Å; F186-V190 HydrophobicContact CD1-CG1 4.25Å; F186-V190 HydrophobicContact CD1-CG2 4.49Å; F186-V190 HydrophobicContact CE1-CG1 3.82Å; F186-V190 HydrophobicContact CE1-CG2 4.3Å; F186-V190 HydrophobicContact CE2-CG1 4.24Å; F186-V190 HydrophobicContact CZ-CG1 3.82Å; F186-V190 WeakPolarHBondContact O-CG1 3.37Å; F186-V190 WeakPolarHBondContact O-CG2 3.39Å; F186-V190 PolarHBondContact O-N 3.18Å; F186-I196 HydrophobicContact CE1-CD1 3.83Å; F186-I196 HydrophobicContact CZ-CD1 3.77Å
187	I	96.1	Very high	95.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-42.1	-177.8	-71.6	-62.6	0	0	0	112	F156 F183 K184 H185 F189 V190 Q191 L201 I208	F156-I187 HydrophobicContact CD2-CD1 4.28Å; F156-I187 HydrophobicContact CE2-CD1 4.16Å; F183-I187 HydrophobicContact CD1-CG1 4.32Å; F183-I187 HydrophobicContact CD2-CG1 3.99Å; F183-I187 HydrophobicContact CE1-CG1 3.88Å; F183-I187 HydrophobicContact CE2-CD1 3.68Å; F183-I187 HydrophobicContact CE2-CG1 3.54Å; F183-I187 HydrophobicContact CG-CG1 4.37Å; F183-I187 HydrophobicContact CZ-CD1 3.68Å; F183-I187 HydrophobicContact CZ-CG1 3.46Å; F183-I187 VanDerWaalsContact CZ-CG1 3.46Å; F183-I187 WeakPolarHBondContact O-CB 3.42Å; F183-I187 VanDerWaalsContact O-CG1 3.31Å; F183-I187 WeakPolarHBondContact O-CG1 3.28Å; F183-I187 PolarHBondContact O-N 3.21Å; K184-I187 PolarHBondContact O-N 2.95Å; H185-I187 PolarHBondContact O-N 2.95Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-V190 HydrophobicContact CD1-CG2 4.44Å; I187-V190 WeakPolarHBondContact O-CG2 3.49Å; I187-Q191 HydrophobicContact CG2-CG 4.42Å; I187-Q191 VanDerWaalsContact O-CB 3.31Å; I187-Q191 WeakPolarHBondContact O-CB 3.49Å; I187-Q191 WeakPolarHBondContact O-CG 3.49Å; I187-Q191 PolarHBondContact O-N 3.48Å; I187-L201 HydrophobicContact CD1-CD2 4.06Å; I187-I208 HydrophobicContact CD1-CD1 3.71Å; I187-I208 HydrophobicContact CD1-CG1 3.88Å; I187-I208 HydrophobicContact CG1-CD1 4.46Å; I187-I208 HydrophobicContact CG1-CG1 4.08Å; I187-I208 HydrophobicContact CG2-CG1 4.28Å; I187-I208 HydrophobicContact CG2-CG2 3.88Å
188	F	94	Very high	95.2	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-41.8	176.8	-71.7	-4.3	0	0	0	111.4	L41 R42 V45 K184 H185 F186 Q191 E192 D215	L41-F188 HydrophobicContact CB-CD2 3.77Å; L41-F188 HydrophobicContact CB-CE2 4.01Å; R42-F188 HydrophobicContact CG-CD2 3.77Å; R42-F188 HydrophobicContact CG-CE2 3.67Å; R42-F188 HydrophobicContact CG-CZ 4.39Å; V45-F188 HydrophobicContact CG1-CB 4.08Å; V45-F188 HydrophobicContact CG2-CB 4.1Å; K184-F188 HydrophobicContact CD-CE2 4.35Å; K184-F188 HydrophobicContact CD-CZ 4.3Å; K184-F188 VanDerWaalsContact CE-CE2 3.5Å; K184-F188 HydrophobicContact CG-CD2 4.36Å; K184-F188 HydrophobicContact CG-CE1 4.28Å; K184-F188 HydrophobicContact CG-CE2 3.93Å; K184-F188 HydrophobicContact CG-CZ 3.89Å; K184-F188 WeakPolarHBondContact O-CG 3.48Å; K184-F188 PolarHBondContact O-N 3.36Å; H185-F188 PolarHBondContact O-N 2.65Å; F186-F188 PolarHBondContact O-N 3.42Å; F188-Q191 PolarHBondContact O-N 3.12Å; F188-E192 VanDerWaalsContact O-CB 3.29Å; F188-E192 WeakPolarHBondContact O-CB 3.19Å; F188-E192 PolarHBondContact O-N 3.29Å; F188-D215 WeakPolarHBondContact CE2-OD2 3.33Å; F188-D215 HydrophobicContact CZ-CB 4.35Å; F188-D215 WeakPolarHBondContact CZ-OD2 3.42Å
189	F	96.2	Very high	95.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-48.1	178.6	-169.1	-93.1	0	0	0	112.6	V45 W56 I57 N60 F64 H185 F186 I187 Q191 E192 F193 L195	V45-F189 HydrophobicContact CB-CB 4.24Å; V45-F189 HydrophobicContact CB-CD2 3.9Å; V45-F189 HydrophobicContact CG1-CB 3.81Å; V45-F189 HydrophobicContact CG1-CD2 4.05Å; V45-F189 HydrophobicContact CG1-CG 4.46Å; W56-F189 AromaticContact CD1-CE2 3.95Å; W56-F189 AromaticContact NE1-CE2 3.54Å; I57-F189 HydrophobicContact CD1-CE1 3.53Å; I57-F189 HydrophobicContact CD1-CZ 3.43Å; I57-F189 VanDerWaalsContact CD1-CZ 3.43Å; N60-F189 HydrophobicContact CB-CD1 4.38Å; N60-F189 HydrophobicContact CB-CD2 4.08Å; N60-F189 HydrophobicContact CB-CE1 3.77Å; N60-F189 HydrophobicContact CB-CE2 3.45Å; N60-F189 VanDerWaalsContact CB-CE2 3.45Å; N60-F189 HydrophobicContact CB-CZ 3.27Å; N60-F189 WeakPolarHBondContact ND2-CE2 3.31Å; F64-F189 HydrophobicContact CD2-CD1 4.48Å; F64-F189 HydrophobicContact CE2-CB 3.74Å; F64-F189 AromaticContact CE2-CD1 3.54Å; F64-F189 HydrophobicContact CE2-CD1 3.54Å; F64-F189 HydrophobicContact CE2-CD2 4.26Å; F64-F189 HydrophobicContact CE2-CE1 4.18Å; F64-F189 AromaticContact CE2-CG 3.57Å; F64-F189 HydrophobicContact CE2-CG 3.57Å; F64-F189 HydrophobicContact CZ-CB 3.6Å; F64-F189 HydrophobicContact CZ-CD1 4.28Å; F64-F189 HydrophobicContact CZ-CD2 4.43Å; F64-F189 AromaticContact CZ-CG 3.87Å; F64-F189 HydrophobicContact CZ-CG 3.87Å; H185-F189 WeakPolarHBondContact O-CB 3.35Å; H185-F189 PolarHBondContact O-N 3.13Å; F186-F189 PolarHBondContact O-N 2.88Å; I187-F189 VanDerWaalsContact C-N 3.33Å; F189-Q191 VanDerWaalsContact C-N 3.27Å; F189-Q191 PolarHBondContact O-N 3.28Å; F189-E192 PolarHBondContact O-N 3.22Å; F189-F193 HydrophobicContact CD1-CD2 4.4Å; F189-F193 HydrophobicContact CD2-CD2 4.26Å; F189-F193 AromaticContact CD2-CE2 3.98Å; F189-F193 HydrophobicContact CD2-CE2 3.98Å; F189-F193 HydrophobicContact CE1-CD2 4.17Å; F189-F193 AromaticContact CE2-CD2 4Å; F189-F193 HydrophobicContact CE2-CD2 4Å; F189-F193 AromaticContact CE2-CE2 3.58Å; F189-F193 HydrophobicContact CE2-CE2 3.58Å; F189-F193 HydrophobicContact CG-CD2 4.45Å; F189-F193 AromaticContact CZ-CD2 3.94Å; F189-F193 HydrophobicContact CZ-CD2 3.94Å; F189-F193 AromaticContact CZ-CE2 3.91Å; F189-F193 HydrophobicContact CZ-CE2 3.91Å; F189-F193 WeakPolarHBondContact O-CD2 3.1Å; F189-F193 PolarHBondContact O-N 2.9Å; F189-L195 HydrophobicContact CD1-CD1 3.75Å; F189-L195 HydrophobicContact CE1-CD1 3.59Å
190	V	97.6	Very high	95.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-26.5	-179.7	-58.2	0	0	0	0	112.8	L152 F186 I187 N194 L195 I196	L152-V190 HydrophobicContact CB-CG1 4.38Å; L152-V190 HydrophobicContact CD1-CG1 4.35Å; F186-V190 HydrophobicContact CD1-CG1 4.25Å; F186-V190 HydrophobicContact CD1-CG2 4.49Å; F186-V190 HydrophobicContact CE1-CG1 3.82Å; F186-V190 HydrophobicContact CE1-CG2 4.3Å; F186-V190 HydrophobicContact CE2-CG1 4.24Å; F186-V190 HydrophobicContact CZ-CG1 3.82Å; F186-V190 WeakPolarHBondContact O-CG1 3.37Å; F186-V190 WeakPolarHBondContact O-CG2 3.39Å; F186-V190 PolarHBondContact O-N 3.18Å; I187-V190 HydrophobicContact CD1-CG2 4.44Å; I187-V190 WeakPolarHBondContact O-CG2 3.49Å; V190-N194 CarbonylContact O-C 3.31Å; V190-N194 WeakPolarHBondContact O-CA 3.3Å; V190-N194 PolarHBondContact O-N 2.82Å; V190-N194 VanDerWaalsContact O-N 3.16Å; V190-L195 HydrophobicContact CB-CB 4.14Å; V190-L195 HydrophobicContact CG1-CB 4.33Å; V190-L195 PolarHBondContact O-N 3.39Å; V190-I196 HydrophobicContact CB-CB 4.44Å; V190-I196 HydrophobicContact CB-CD1 4.04Å; V190-I196 HydrophobicContact CB-CG1 4.05Å; V190-I196 HydrophobicContact CG1-CD1 3.75Å; V190-I196 HydrophobicContact CG1-CG1 4.08Å; V190-I196 HydrophobicContact CG2-CD1 4.17Å; V190-I196 HydrophobicContact CG2-CG1 4.47Å
191	Q	94.7	Very high	95.6	Very high	91 Å²	91	49.9 Å²	49.9	43%	0.425	23%	0.229	S	C	.	.	H	α-helix	trans	-76.4	-43.7	174.1	-75.6	179	-16.5	0	0	111.9	I187 F188 F189 F193 N194	I187-Q191 HydrophobicContact CG2-CG 4.42Å; I187-Q191 VanDerWaalsContact O-CB 3.31Å; I187-Q191 WeakPolarHBondContact O-CB 3.49Å; I187-Q191 WeakPolarHBondContact O-CG 3.49Å; I187-Q191 PolarHBondContact O-N 3.48Å; F188-Q191 PolarHBondContact O-N 3.12Å; F189-Q191 VanDerWaalsContact C-N 3.27Å; F189-Q191 PolarHBondContact O-N 3.28Å; Q191-F193 VanDerWaalsContact C-N 3.28Å; Q191-F193 PolarHBondContact O-N 3.45Å; Q191-N194 PolarHBondContact O-N 3.05Å
192	E	95.1	Very high	95.8	Very high	104 Å²	104	47.4 Å²	47.4	49%	0.486	22%	0.216	S	C	.	.	H	α-helix	trans	-54	-46.5	179.2	-177.4	59.9	-158.8	0	0	111.2	V45 F188 F189	V45-E192 HydrophobicContact CG2-CB 4.29Å; V45-E192 HydrophobicContact CG2-CG 4.47Å; F188-E192 VanDerWaalsContact O-CB 3.29Å; F188-E192 WeakPolarHBondContact O-CB 3.19Å; F188-E192 PolarHBondContact O-N 3.29Å; F189-E192 PolarHBondContact O-N 3.22Å
193	F	97.4	Very high	96	Very high	40 Å²	40	47.6 Å²	47.6	18%	0.175	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11.4	-177.3	-56.4	-70.4	0	0	0	114.2	V45 L47 L53 W56 I57 F189 Q191 L195	V45-F193 VanDerWaalsContact O-CE2 3.25Å; V45-F193 WeakPolarHBondContact O-CE2 3.34Å; V45-F193 WeakPolarHBondContact O-CZ 3.22Å; L47-F193 HydrophobicContact CB-CE1 4.16Å; L47-F193 HydrophobicContact CB-CZ 4.05Å; L53-F193 HydrophobicContact CD1-CD1 3.53Å; L53-F193 HydrophobicContact CD1-CE1 3.53Å; L53-F193 HydrophobicContact CD1-CG 4.31Å; L53-F193 HydrophobicContact CD1-CZ 4.32Å; W56-F193 AromaticContact CD1-CE2 3.68Å; W56-F193 AromaticContact CD1-CZ 3.49Å; W56-F193 VanDerWaalsContact CD1-CZ 3.49Å; W56-F193 AromaticContact NE1-CE2 3.65Å; W56-F193 AromaticContact NE1-CZ 3.62Å; I57-F193 HydrophobicContact CD1-CB 3.97Å; I57-F193 HydrophobicContact CD1-CD1 4.45Å; I57-F193 HydrophobicContact CD1-CD2 3.59Å; I57-F193 HydrophobicContact CD1-CE2 4.18Å; I57-F193 HydrophobicContact CD1-CG 3.74Å; F189-F193 HydrophobicContact CD1-CD2 4.4Å; F189-F193 HydrophobicContact CD2-CD2 4.26Å; F189-F193 AromaticContact CD2-CE2 3.98Å; F189-F193 HydrophobicContact CD2-CE2 3.98Å; F189-F193 HydrophobicContact CE1-CD2 4.17Å; F189-F193 AromaticContact CE2-CD2 4Å; F189-F193 HydrophobicContact CE2-CD2 4Å; F189-F193 AromaticContact CE2-CE2 3.58Å; F189-F193 HydrophobicContact CE2-CE2 3.58Å; F189-F193 HydrophobicContact CG-CD2 4.45Å; F189-F193 AromaticContact CZ-CD2 3.94Å; F189-F193 HydrophobicContact CZ-CD2 3.94Å; F189-F193 AromaticContact CZ-CE2 3.91Å; F189-F193 HydrophobicContact CZ-CE2 3.91Å; F189-F193 WeakPolarHBondContact O-CD2 3.1Å; F189-F193 PolarHBondContact O-N 2.9Å; Q191-F193 VanDerWaalsContact C-N 3.28Å; Q191-F193 PolarHBondContact O-N 3.45Å; F193-L195 VanDerWaalsContact C-N 3.32Å; F193-L195 HydrophobicContact CB-CD1 4Å; F193-L195 HydrophobicContact CB-CD2 3.82Å; F193-L195 HydrophobicContact CB-CG 3.71Å; F193-L195 PolarHBondContact O-N 3.09Å
194	N	97	Very high	96	Very high	112 Å²	112	48.1 Å²	48.1	60%	0.599	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	51.2	-179.9	-171.5	28.2	0	0	0	113	K149 V190 Q191	K149-N194 WeakPolarHBondContact CE-O 3.31Å; K149-N194 PolarHBondContact NZ-O 3.33Å; V190-N194 CarbonylContact O-C 3.31Å; V190-N194 WeakPolarHBondContact O-CA 3.3Å; V190-N194 PolarHBondContact O-N 2.82Å; V190-N194 VanDerWaalsContact O-N 3.16Å; Q191-N194 PolarHBondContact O-N 3.05Å
195	L	98.2	Very high	96	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	23%	0.227	C	C	.	.			trans	-87	-23.6	-173.1	-56.6	174.8	0	0	0	112.7	I57 M145 K149 L152 F189 V190 F193	I57-L195 HydrophobicContact CD1-CD1 3.74Å; I57-L195 HydrophobicContact CD1-CD2 4.22Å; M145-L195 HydrophobicContact SD-CD2 3.66Å; K149-L195 WeakPolarHBondContact CB-O 3.37Å; K149-L195 HydrophobicContact CG-CB 4.22Å; K149-L195 HydrophobicContact CG-CD2 4.12Å; K149-L195 VanDerWaalsContact CG-O 3.23Å; K149-L195 WeakPolarHBondContact CG-O 3.37Å; L152-L195 HydrophobicContact CD1-CB 3.98Å; L152-L195 HydrophobicContact CD1-CD1 3.4Å; L152-L195 VanDerWaalsContact CD1-CD1 3.4Å; L152-L195 HydrophobicContact CD1-CG 4.24Å; F189-L195 HydrophobicContact CD1-CD1 3.75Å; F189-L195 HydrophobicContact CE1-CD1 3.59Å; V190-L195 HydrophobicContact CB-CB 4.14Å; V190-L195 HydrophobicContact CG1-CB 4.33Å; V190-L195 PolarHBondContact O-N 3.39Å; F193-L195 VanDerWaalsContact C-N 3.32Å; F193-L195 HydrophobicContact CB-CD1 4Å; F193-L195 HydrophobicContact CB-CD2 3.82Å; F193-L195 HydrophobicContact CB-CG 3.71Å; F193-L195 PolarHBondContact O-N 3.09Å
196	I	98.1	Very high	96	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	26%	0.259	C	S	.	.	S	Bend	trans	-129.5	129.2	179.2	-56.9	178.3	0	0	0	109.2	L152 K153 F156 F186 V190 E200 L201	L152-I196 HydrophobicContact CB-CD1 4.19Å; L152-I196 HydrophobicContact CB-CG1 4.38Å; K153-I196 HydrophobicContact CB-CG1 4.43Å; F156-I196 HydrophobicContact CB-CD1 4.12Å; F186-I196 HydrophobicContact CE1-CD1 3.83Å; F186-I196 HydrophobicContact CZ-CD1 3.77Å; V190-I196 HydrophobicContact CB-CB 4.44Å; V190-I196 HydrophobicContact CB-CD1 4.04Å; V190-I196 HydrophobicContact CB-CG1 4.05Å; V190-I196 HydrophobicContact CG1-CD1 3.75Å; V190-I196 HydrophobicContact CG1-CG1 4.08Å; V190-I196 HydrophobicContact CG2-CD1 4.17Å; V190-I196 HydrophobicContact CG2-CG1 4.47Å; I196-E200 HydrophobicContact CG2-CB 3.71Å; I196-L201 HydrophobicContact CB-CD2 4.24Å; I196-L201 HydrophobicContact CB-CG 4.43Å; I196-L201 HydrophobicContact CD1-CD2 4.28Å; I196-L201 HydrophobicContact CG2-CD2 3.7Å; I196-L201 HydrophobicContact CG2-CG 3.84Å
197	D	96.2	Very high	95.7	Very high	90 Å²	90	58.5 Å²	58.5	48%	0.481	27%	0.27	S	S	.	.			trans	-62.3	139.1	174.2	-172	-67.4	0	0	0	110.5	R199 E200 L201	D197-R199 PolarHBondContact O-N 3.22Å; D197-R199 VanDerWaalsContact OD1-CB 3.31Å; D197-R199 WeakPolarHBondContact OD1-CB 3.38Å; D197-R199 VanDerWaalsContact OD1-CG 3.3Å; D197-R199 WeakPolarHBondContact OD1-CG 3.4Å; D197-R199 PolarHBondContact OD1-N 2.9Å; D197-E200 HydrophobicContact CB-CG 4.29Å; D197-E200 WeakPolarHBondContact O-CB 3.49Å; D197-E200 PolarHBondContact O-N 2.82Å; D197-L201 PolarHBondContact O-N 3.34Å
198	R	94.1	Very high	95.6	Very high	174 Å²	174	59.1 Å²	59.1	66%	0.657	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.7	179.8	-174	177	178.5	-177.6	2.1	113.4	E200 L201 A202 Q205 E209	R198-E200 VanDerWaalsContact C-N 3.29Å; R198-E200 PolarHBondContact O-N 2.97Å; R198-L201 PolarHBondContact O-N 3.45Å; R198-A202 PolarHBondContact O-N 2.81Å; R198-Q205 VanDerWaalsContact NH2-NE2 3.14Å; R198-E209 IonicContact NH2-OE1 3.59Å
199	R	95.2	Very high	95.5	Very high	213 Å²	213	63.9 Å²	63.9	80%	0.804	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.7	178	-63.4	174	-176.5	-173.7	2.3	112.4	D197 L201 A202	D197-R199 PolarHBondContact O-N 3.22Å; D197-R199 VanDerWaalsContact OD1-CB 3.31Å; D197-R199 WeakPolarHBondContact OD1-CB 3.38Å; D197-R199 VanDerWaalsContact OD1-CG 3.3Å; D197-R199 WeakPolarHBondContact OD1-CG 3.4Å; D197-R199 PolarHBondContact OD1-N 2.9Å; R199-L201 VanDerWaalsContact C-N 3.28Å; R199-A202 VanDerWaalsContact O-CB 3.22Å; R199-A202 WeakPolarHBondContact O-CB 3.43Å; R199-A202 PolarHBondContact O-N 3.37Å
200	E	96.1	Very high	95	Very high	64 Å²	64	70.2 Å²	70.2	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.2	178.4	-60	-84.1	-158.4	0	0	110.8	K153 F156 I196 D197 R198 A202 P203	K153-E200 HydrophobicContact CD-CB 4.2Å; K153-E200 HydrophobicContact CD-CG 3.69Å; K153-E200 WeakPolarHBondContact CD-OE1 3.35Å; K153-E200 HydrophobicContact CG-CB 4.42Å; K153-E200 HydrophobicContact CG-CG 4.43Å; K153-E200 IonicContact NZ-OE1 2.73Å; K153-E200 PolarHBondContact NZ-OE1 3.13Å; F156-E200 WeakPolarHBondContact CE1-O 3.22Å; I196-E200 HydrophobicContact CG2-CB 3.71Å; D197-E200 HydrophobicContact CB-CG 4.29Å; D197-E200 WeakPolarHBondContact O-CB 3.49Å; D197-E200 PolarHBondContact O-N 2.82Å; R198-E200 VanDerWaalsContact C-N 3.29Å; R198-E200 PolarHBondContact O-N 2.97Å; E200-A202 VanDerWaalsContact C-N 3.34Å; E200-P203 WeakPolarHBondContact O-CD 3.49Å
201	L	97	Very high	94.1	Very high	12 Å²	12	71.3 Å²	71.3	6%	0.063	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.6	175.7	-60.3	-179.9	0	0	0	114.2	F156 I187 I196 D197 R198 R199 P203 L204 Q205 I208	F156-L201 HydrophobicContact CD1-CD2 4.27Å; F156-L201 HydrophobicContact CD2-CD2 3.59Å; F156-L201 HydrophobicContact CE1-CD2 4.25Å; F156-L201 HydrophobicContact CE2-CD2 3.55Å; F156-L201 HydrophobicContact CG-CD2 3.96Å; F156-L201 HydrophobicContact CZ-CB 4.41Å; F156-L201 HydrophobicContact CZ-CD2 3.91Å; I187-L201 HydrophobicContact CD1-CD2 4.06Å; I196-L201 HydrophobicContact CB-CD2 4.24Å; I196-L201 HydrophobicContact CB-CG 4.43Å; I196-L201 HydrophobicContact CD1-CD2 4.28Å; I196-L201 HydrophobicContact CG2-CD2 3.7Å; I196-L201 HydrophobicContact CG2-CG 3.84Å; D197-L201 PolarHBondContact O-N 3.34Å; R198-L201 PolarHBondContact O-N 3.45Å; R199-L201 VanDerWaalsContact C-N 3.28Å; L201-P203 VanDerWaalsContact C-N 3.32Å; L201-P203 WeakPolarHBondContact O-CD 3.32Å; L201-P203 VanDerWaalsContact O-N 3.16Å; L201-L204 PolarHBondContact O-N 2.92Å; L201-L204 VanDerWaalsContact O-N 3.13Å; L201-Q205 PolarHBondContact O-N 3.39Å; L201-I208 HydrophobicContact CB-CD1 3.82Å; L201-I208 HydrophobicContact CD1-CD1 4.39Å; L201-I208 HydrophobicContact CD2-CD1 4.43Å; L201-I208 HydrophobicContact CG-CD1 4.44Å
202	A	96.6	Very high	93	Very high	23 Å²	23	67.8 Å²	67.8	19%	0.19	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-50.7	-36.6	-176.5	0	0	0	0	0	115.7	Y93 R198 R199 E200 L204 Q205	Y93-A202 HydrophobicContact CE1-CB 4.31Å; Y93-A202 WeakPolarHBondContact OH-CB 3.41Å; R198-A202 PolarHBondContact O-N 2.81Å; R199-A202 VanDerWaalsContact O-CB 3.22Å; R199-A202 WeakPolarHBondContact O-CB 3.43Å; R199-A202 PolarHBondContact O-N 3.37Å; E200-A202 VanDerWaalsContact C-N 3.34Å; A202-L204 PolarHBondContact O-N 3.06Å; A202-L204 VanDerWaalsContact O-N 3.14Å; A202-Q205 WeakPolarHBondContact O-CB 3.49Å; A202-Q205 PolarHBondContact O-N 3.24Å
203	P	96.7	Very high	91.4	Very high	13 Å²	13	66.6 Å²	66.6	8%	0.084	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-59.8	-24.6	179.5	-22.2	30.9	0	0	0	115.1	A89 Y93 Y95 F156 A160 H164 E200 L201	A89-P203 HydrophobicContact CB-CB 3.73Å; A89-P203 HydrophobicContact CB-CG 4.35Å; Y93-P203 HydrophobicContact CD1-CG 3.83Å; Y93-P203 HydrophobicContact CD2-CB 3.77Å; Y93-P203 HydrophobicContact CD2-CG 3.77Å; Y93-P203 HydrophobicContact CE1-CG 4.04Å; Y93-P203 HydrophobicContact CE2-CB 3.98Å; Y93-P203 HydrophobicContact CE2-CG 3.99Å; Y93-P203 HydrophobicContact CG-CB 4.15Å; Y93-P203 HydrophobicContact CG-CG 3.68Å; Y95-P203 WeakPolarHBondContact OH-CG 3.33Å; F156-P203 HydrophobicContact CE1-CG 4.33Å; A160-P203 HydrophobicContact CB-CB 4.25Å; H164-P203 PolarHBondContact NE2-O 2.87Å; E200-P203 WeakPolarHBondContact O-CD 3.49Å; L201-P203 VanDerWaalsContact C-N 3.32Å; L201-P203 WeakPolarHBondContact O-CD 3.32Å; L201-P203 VanDerWaalsContact O-N 3.16Å
204	L	96.5	Very high	89.4	Confident	10 Å²	10	73 Å²	73	5%	0.052	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-121.2	20.7	178.8	-65.3	-178.3	0	0	0	112.4	F156 A160 Y163 F183 L201 A202 E206 L207 I208	F156-L204 HydrophobicContact CE2-CB 4.33Å; F156-L204 HydrophobicContact CE2-CD1 3.97Å; F156-L204 HydrophobicContact CE2-CG 4.45Å; F156-L204 HydrophobicContact CZ-CB 4.07Å; F156-L204 HydrophobicContact CZ-CD1 4.12Å; F156-L204 HydrophobicContact CZ-CG 4.15Å; A160-L204 HydrophobicContact CB-CD1 4.11Å; A160-L204 HydrophobicContact CB-CG 4.11Å; Y163-L204 HydrophobicContact CD2-CD1 3.76Å; Y163-L204 HydrophobicContact CD2-CD2 4.35Å; Y163-L204 HydrophobicContact CE2-CD1 4.42Å; Y163-L204 HydrophobicContact CG-CD1 4.44Å; Y163-L204 HydrophobicContact CG-CD2 4.22Å; F183-L204 HydrophobicContact CE1-CD1 4.04Å; F183-L204 HydrophobicContact CE2-CD1 3.66Å; F183-L204 HydrophobicContact CZ-CB 4.08Å; F183-L204 HydrophobicContact CZ-CD1 3.34Å; F183-L204 HydrophobicContact CZ-CG 4.38Å; L201-L204 PolarHBondContact O-N 2.92Å; L201-L204 VanDerWaalsContact O-N 3.13Å; A202-L204 PolarHBondContact O-N 3.06Å; A202-L204 VanDerWaalsContact O-N 3.14Å; L204-E206 VanDerWaalsContact C-N 3.35Å; L204-E206 PolarHBondContact O-N 2.88Å; L204-L207 WeakPolarHBondContact O-CB 3.36Å; L204-L207 PolarHBondContact O-N 3.27Å; L204-L207 VanDerWaalsContact O-N 3.08Å; L204-I208 HydrophobicContact CB-CD1 4.2Å; L204-I208 HydrophobicContact CB-CG1 4.43Å; L204-I208 VanDerWaalsContact O-CG1 3.31Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.46Å
205	Q	93.8	Very high	87.2	Confident	70 Å²	70	70.3 Å²	70.3	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-56.1	-45.5	-172.5	-178.7	171.3	-3	0	0	113.1	R198 L201 A202 L207 I208 E209	R198-Q205 VanDerWaalsContact NH2-NE2 3.14Å; L201-Q205 PolarHBondContact O-N 3.39Å; A202-Q205 WeakPolarHBondContact O-CB 3.49Å; A202-Q205 PolarHBondContact O-N 3.24Å; Q205-L207 VanDerWaalsContact C-N 3.3Å; Q205-L207 PolarHBondContact O-N 3.38Å; Q205-I208 PolarHBondContact O-N 3.21Å; Q205-E209 HydrophobicContact CG-CG 4.35Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.31Å; Q205-E209 PolarHBondContact NE2-OE1 3.18Å; Q205-E209 WeakPolarHBondContact O-CG 3.18Å; Q205-E209 PolarHBondContact O-N 3.28Å
206	E	91.8	Very high	84.5	Confident	144 Å²	144	83.4 Å²	83.4	67%	0.673	38%	0.383	S	S	*	.	H	α-helix	trans	-62.1	-37.8	179.2	-65.3	-178.1	-167.5	0	0	112.5	L204 K210	L204-E206 VanDerWaalsContact C-N 3.35Å; L204-E206 PolarHBondContact O-N 2.88Å; E206-K210 VanDerWaalsContact O-CG 3.31Å; E206-K210 WeakPolarHBondContact O-CG 3.18Å; E206-K210 PolarHBondContact O-N 3.14Å; E206-K210 VanDerWaalsContact O-N 3.13Å
207	L	92.4	Very high	83.8	Confident	44 Å²	44	87.1 Å²	87.1	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-68	-44.9	176.1	178.5	61.6	0	0	0	110.4	Y163 F183 L204 Q205 E209 K210 L211	Y163-L207 HydrophobicContact CD1-CD2 3.73Å; Y163-L207 HydrophobicContact CD2-CD2 4.02Å; Y163-L207 HydrophobicContact CE1-CD2 3.49Å; Y163-L207 VanDerWaalsContact CE1-CD2 3.49Å; Y163-L207 HydrophobicContact CE2-CD2 3.8Å; Y163-L207 HydrophobicContact CG-CD2 3.98Å; F183-L207 HydrophobicContact CD1-CD2 3.96Å; F183-L207 HydrophobicContact CE1-CD2 3.63Å; F183-L207 HydrophobicContact CE1-CG 4.02Å; L204-L207 WeakPolarHBondContact O-CB 3.36Å; L204-L207 PolarHBondContact O-N 3.27Å; L204-L207 VanDerWaalsContact O-N 3.08Å; Q205-L207 VanDerWaalsContact C-N 3.3Å; Q205-L207 PolarHBondContact O-N 3.38Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.36Å; L207-K210 PolarHBondContact O-N 3.13Å; L207-L211 HydrophobicContact CD1-CD1 4.35Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.06Å; L207-L211 HydrophobicContact CG-CG 4.46Å; L207-L211 VanDerWaalsContact O-CG 3.28Å; L207-L211 WeakPolarHBondContact O-CG 3.47Å; L207-L211 PolarHBondContact O-N 2.86Å
208	I	93.7	Very high	83.1	Confident	15 Å²	15	86.9 Å²	86.9	8%	0.077	40%	0.395	C	S	.	.	H	α-helix	trans	-59.3	-43.4	177.5	-68.9	165.2	0	0	0	111.1	F156 F183 I187 L201 L204 Q205 L211 G212	F156-I208 HydrophobicContact CE2-CD1 4.34Å; F183-I208 HydrophobicContact CE1-CG1 4.15Å; F183-I208 HydrophobicContact CZ-CD1 4.31Å; F183-I208 HydrophobicContact CZ-CG1 3.92Å; I187-I208 HydrophobicContact CD1-CD1 3.71Å; I187-I208 HydrophobicContact CD1-CG1 3.88Å; I187-I208 HydrophobicContact CG1-CD1 4.46Å; I187-I208 HydrophobicContact CG1-CG1 4.08Å; I187-I208 HydrophobicContact CG2-CG1 4.28Å; I187-I208 HydrophobicContact CG2-CG2 3.88Å; L201-I208 HydrophobicContact CB-CD1 3.82Å; L201-I208 HydrophobicContact CD1-CD1 4.39Å; L201-I208 HydrophobicContact CD2-CD1 4.43Å; L201-I208 HydrophobicContact CG-CD1 4.44Å; L204-I208 HydrophobicContact CB-CD1 4.2Å; L204-I208 HydrophobicContact CB-CG1 4.43Å; L204-I208 VanDerWaalsContact O-CG1 3.31Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.46Å; Q205-I208 PolarHBondContact O-N 3.21Å; I208-L211 PolarHBondContact O-N 3.08Å; I208-G212 PolarHBondContact O-N 2.8Å
209	E	90.8	Very high	82.5	Confident	104 Å²	104	82.1 Å²	82.1	49%	0.486	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-41.4	177.5	-73.6	173.2	-175.3	0	0	111.7	R198 Q205 L207 G212 S213	R198-E209 IonicContact NH2-OE1 3.59Å; Q205-E209 HydrophobicContact CG-CG 4.35Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.31Å; Q205-E209 PolarHBondContact NE2-OE1 3.18Å; Q205-E209 WeakPolarHBondContact O-CG 3.18Å; Q205-E209 PolarHBondContact O-N 3.28Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.36Å; E209-G212 PolarHBondContact O-N 3.37Å; E209-S213 PolarHBondContact O-N 2.92Å; E209-S213 VanDerWaalsContact O-N 3.12Å; E209-S213 PolarHBondContact O-OG 3.28Å
210	K	86.1	Confident	81.8	Confident	134 Å²	134	74.4 Å²	74.4	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-66.1	-34.5	174.5	-73.1	172.8	-176	172.3	0	113.2	E206 L207 S213	E206-K210 VanDerWaalsContact O-CG 3.31Å; E206-K210 WeakPolarHBondContact O-CG 3.18Å; E206-K210 PolarHBondContact O-N 3.14Å; E206-K210 VanDerWaalsContact O-N 3.13Å; L207-K210 PolarHBondContact O-N 3.13Å; K210-S213 PolarHBondContact O-OG 2.73Å
211	L	78.2	Confident	80.9	Confident	24 Å²	24	75.1 Å²	75.1	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-72.1	-35.4	176.3	-69.1	171.1	0	0	0	111.5	F183 K184 L207 I208	F183-L211 HydrophobicContact CD1-CD1 3.64Å; F183-L211 HydrophobicContact CE1-CD1 3.77Å; K184-L211 HydrophobicContact CB-CD1 4.46Å; K184-L211 HydrophobicContact CB-CD2 4.48Å; K184-L211 HydrophobicContact CD-CD2 4.18Å; K184-L211 HydrophobicContact CG-CD2 4.45Å; L207-L211 HydrophobicContact CD1-CD1 4.35Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.06Å; L207-L211 HydrophobicContact CG-CG 4.46Å; L207-L211 VanDerWaalsContact O-CG 3.28Å; L207-L211 WeakPolarHBondContact O-CG 3.47Å; L207-L211 PolarHBondContact O-N 2.86Å; I208-L211 PolarHBondContact O-N 3.08Å
212	G	71.1	Confident	79.8	Confident	18 Å²	18	79.3 Å²	79.3	19%	0.186	38%	0.379	C	S	.	.	H	α-helix	trans	-73.7	-30.7	179.1	0	0	0	0	0	114.5	I208 E209	I208-G212 PolarHBondContact O-N 2.8Å; E209-G212 PolarHBondContact O-N 3.37Å
213	S	63.1	Low	78.6	Confident	79 Å²	79	83.3 Å²	83.3	55%	0.552	39%	0.392	S	S	*	.	H	α-helix	trans	-76.2	-23.7	-177.8	63.6	0	0	0	0	114.4	E209 K210 D215	E209-S213 PolarHBondContact O-N 2.92Å; E209-S213 VanDerWaalsContact O-N 3.12Å; E209-S213 PolarHBondContact O-OG 3.28Å; K210-S213 PolarHBondContact O-OG 2.73Å; S213-D215 VanDerWaalsContact C-N 3.3Å; S213-D215 PolarHBondContact O-N 2.72Å
214	K	54.3	Low	77.2	Confident	175 Å²	175	88.7 Å²	88.7	76%	0.761	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.4	179	-74.4	-173	175.6	-176.3	0	114.4
215	D	51.7	Low	75.6	Confident	55 Å²	55	95.3 Å²	95.3	29%	0.294	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	23.6	-174.3	-65.4	0.8	0	0	0	113	R42 K184 F188 S213	R42-D215 PolarHBondContact NE-O 3.42Å; K184-D215 WeakPolarHBondContact CE-OD2 3.4Å; K184-D215 IonicContact NZ-OD1 3.28Å; K184-D215 PolarHBondContact NZ-OD1 2.86Å; K184-D215 IonicContact NZ-OD2 3.85Å; K184-D215 PolarHBondContact NZ-OD2 3.31Å; F188-D215 WeakPolarHBondContact CE2-OD2 3.33Å; F188-D215 HydrophobicContact CZ-CB 4.35Å; F188-D215 WeakPolarHBondContact CZ-OD2 3.42Å; S213-D215 VanDerWaalsContact C-N 3.3Å; S213-D215 PolarHBondContact O-N 2.72Å
216	R	40.2	Very low	73.9	Confident	281 Å²	281	97.5 Å²	97.5	100%	1.06	46%	0.457	S	S	*	.			trans	-113.1	0	166.9	-73.5	-172.2	178.1	-156.3	-0.8	108.8

Retrieved 216 of 216 residues in 1537.5 ms (Link to these results)

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