MOB1A_PONAB Loading...

MOB kinase activator 1A

Activator of LATS1/2 in the Hippo signaling pathway which plays a pivotal role in organ size control and tumor suppression by restricting proliferation and promoting apoptosis. The core of this pathway is composed of a kinase cascade wherein STK3/MST2 and STK4/MST1, in complex with its regulatory protein SAV1, phosphorylates and activates LATS1/2 in complex with its regulatory protein MOB1, which in turn phosphorylates and inactivates YAP1 oncoprotein and WWTR1/TAZ. Phosphorylation of YAP1 by LATS1/2 inhibits its translocation into the nucleus to regulate cellular genes important for cell proliferation, cell death, and cell migration. Stimulates the kinase activity of STK38 and STK38L. Acts cooperatively with STK3/MST2 to activate STK38 (By similarity).

AlphaFold DB , UniProt , Accession Q5RAE0, Species PONAB (Pongo abelii, Sumatran orangutan), 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 416.5 ms (Link to these results)

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