A0A087Y041_POEFO Loading...

MOB kinase activator 1Bb

AlphaFold DB , UniProt , Accession A0A087Y041, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	32.7	Very low	32.1	Very low	228 Å²	228	157.7 Å²	157.7	100%	1.123	83%	0.825	S	S	*	*				0	95.6	0	-68.9	-169.1	-156.9	0	0	107.1
2	S	23.8	Very low	32.4	Very low	114 Å²	114	156 Å²	156	80%	0.797	83%	0.826	S	S	*	*			trans	-112.5	113.3	179.6	-61.4	0	0	0	0	107.5	L4	S2-L4 PolarHBondContact O-N 3.24Å
3	F	28.6	Very low	32.8	Very low	180 Å²	180	154.9 Å²	154.9	79%	0.789	81%	0.81	S	S	*	*			trans	-70.6	110.2	176.1	-75.4	-89.8	0	0	0	108.9	F5	F3-F5 HydrophobicContact CB-CD2 4.48Å; F3-F5 HydrophobicContact CB-CE2 4.33Å; F3-F5 PolarHBondContact O-N 2.71Å
4	L	29	Very low	32.7	Very low	173 Å²	173	155.6 Å²	155.6	91%	0.906	80%	0.804	S	S	*	*			trans	-80.4	98	167.7	-72	165.8	0	0	0	107.6	S2 G6	S2-L4 PolarHBondContact O-N 3.24Å; L4-G6 PolarHBondContact O-N 2.74Å; L4-G6 VanDerWaalsContact O-N 3.08Å
5	F	31.4	Very low	32.8	Very low	198 Å²	198	150.6 Å²	150.6	87%	0.868	79%	0.785	S	S	*	*			trans	-66.5	105	166.9	-84.6	-89.2	0	0	0	108.8	F3 N7	F3-F5 HydrophobicContact CB-CD2 4.48Å; F3-F5 HydrophobicContact CB-CE2 4.33Å; F3-F5 PolarHBondContact O-N 2.71Å; F5-N7 PolarHBondContact O-N 3Å
6	G	25.8	Very low	33	Very low	69 Å²	69	150.8 Å²	150.8	71%	0.711	78%	0.777	S	S	*	*			trans	-67.9	108.4	174.2	0	0	0	0	0	110.8	L4 R8	L4-G6 PolarHBondContact O-N 2.74Å; L4-G6 VanDerWaalsContact O-N 3.08Å; G6-R8 PolarHBondContact O-N 3.47Å; G6-R8 VanDerWaalsContact O-N 3.13Å
7	N	39.8	Very low	33.8	Very low	163 Å²	163	145.6 Å²	145.6	87%	0.872	75%	0.748	S	S	*	*			trans	-55.3	105.2	164.4	-167.6	19.5	0	0	0	110.2	F5	F5-N7 PolarHBondContact O-N 3Å
8	R	36.4	Very low	35	Very low	237 Å²	237	144.7 Å²	144.7	89%	0.894	74%	0.744	S	S	*	*			trans	-137.6	97.1	172.3	-79	-170.6	177	-178.1	-0.6	112.5	G6	G6-R8 PolarHBondContact O-N 3.47Å; G6-R8 VanDerWaalsContact O-N 3.13Å
9	S	36.8	Very low	36.1	Very low	82 Å²	82	137.9 Å²	137.9	57%	0.573	71%	0.71	S	S	*	*			trans	63.7	75.9	138.8	-172.3	0	0	0	0	119.1	K11	S9-K11 PolarHBondContact O-N 2.93Å; S9-K11 VanDerWaalsContact O-N 3.09Å; S9-K11 WeakPolarHBondContact OG-CB 3.4Å
10	S	33.9	Very low	37.4	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	69%	0.692	S	S	*	*			trans	-73.3	32.4	152.7	59.9	0	0	0	0	113.5	T12 F13	S10-T12 VanDerWaalsContact C-N 3.31Å; S10-T12 PolarHBondContact O-N 3.23Å; S10-F13 PolarHBondContact O-N 3.43Å
11	K	35.2	Very low	38.4	Very low	189 Å²	189	134.9 Å²	134.9	82%	0.822	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-0.6	-169.4	-72.4	-171.2	176.7	-178.9	0	115.7	S9	S9-K11 PolarHBondContact O-N 2.93Å; S9-K11 VanDerWaalsContact O-N 3.09Å; S9-K11 WeakPolarHBondContact OG-CB 3.4Å
12	T	35	Very low	39.9	Very low	137 Å²	137	127 Å²	127	84%	0.84	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-8.2	171.5	41.7	0	0	0	0	113.2	S10	S10-T12 VanDerWaalsContact C-N 3.31Å; S10-T12 PolarHBondContact O-N 3.23Å
13	F	38.4	Very low	42.3	Very low	142 Å²	142	122.6 Å²	122.6	62%	0.623	64%	0.64	S	S	*	*			trans	-108	110.3	-177.8	-176	-115.5	0	0	0	111.6	S10 P15	S10-F13 PolarHBondContact O-N 3.43Å; F13-P15 HydrophobicContact CD1-CG 4.47Å; F13-P15 HydrophobicContact CE1-CB 4.3Å; F13-P15 VanDerWaalsContact CE1-CD 3.44Å; F13-P15 HydrophobicContact CE1-CG 3.65Å; F13-P15 HydrophobicContact CE2-CB 3.82Å; F13-P15 HydrophobicContact CE2-CG 4.08Å; F13-P15 HydrophobicContact CZ-CB 3.57Å; F13-P15 HydrophobicContact CZ-CG 3.42Å; F13-P15 VanDerWaalsContact CZ-CG 3.42Å
14	K	30.6	Very low	44.4	Very low	165 Å²	165	117 Å²	117	72%	0.717	62%	0.616	S	S	*	*			trans	-123.1	111.5	148.2	-72.1	-174.4	-178.3	176	0	106	K16	K14-K16 VanDerWaalsContact C-N 3.32Å; K14-K16 HydrophobicContact CB-CG 4.48Å; K14-K16 PolarHBondContact O-N 3.34Å
15	P	35	Very low	46.3	Very low	80 Å²	80	110 Å²	110	52%	0.519	58%	0.579	S	S	.	*			trans	-65.9	101.1	170.3	26.3	-26.1	0	0	0	106.4	F13	F13-P15 HydrophobicContact CD1-CG 4.47Å; F13-P15 HydrophobicContact CE1-CB 4.3Å; F13-P15 VanDerWaalsContact CE1-CD 3.44Å; F13-P15 HydrophobicContact CE1-CG 3.65Å; F13-P15 HydrophobicContact CE2-CB 3.82Å; F13-P15 HydrophobicContact CE2-CG 4.08Å; F13-P15 HydrophobicContact CZ-CB 3.57Å; F13-P15 HydrophobicContact CZ-CG 3.42Å; F13-P15 VanDerWaalsContact CZ-CG 3.42Å
16	K	36.2	Very low	48.2	Very low	153 Å²	153	102.9 Å²	102.9	67%	0.665	55%	0.546	S	S	*	.			trans	-133	70.8	176.1	-85.9	-163	173.4	-168.6	0	109.8	K14	K14-K16 VanDerWaalsContact C-N 3.32Å; K14-K16 HydrophobicContact CB-CG 4.48Å; K14-K16 PolarHBondContact O-N 3.34Å
17	K	47	Very low	50.6	Low	64 Å²	64	105.4 Å²	105.4	28%	0.278	54%	0.54	S	S	.	.			trans	171.5	77.1	136.4	-96.1	174.8	175.3	-176.1	0	105.5	I19 L126 D127 E129 S134	K17-I19 PolarHBondContact O-N 3.18Å; K17-L126 PolarHBondContact NZ-O 2.74Å; K17-D127 PolarHBondContact NZ-O 2.62Å; K17-E129 WeakPolarHBondContact CE-OE1 3.32Å; K17-E129 IonicContact NZ-OE1 2.68Å; K17-E129 PolarHBondContact NZ-OE1 2.83Å; K17-E129 IonicContact NZ-OE2 3.79Å; K17-S134 WeakPolarHBondContact CE-OG 3.26Å; K17-S134 PolarHBondContact NZ-OG 3.27Å
18	N	54.1	Low	51.9	Low	128 Å²	128	98 Å²	98	68%	0.684	50%	0.5	S	S	*	.			trans	-61.6	124.7	150	-70.3	-1.5	0	0	0	104.1	P20	N18-P20 VanDerWaalsContact O-N 3.09Å
19	I	57	Low	53.5	Low	17 Å²	17	88.2 Å²	88.2	9%	0.087	47%	0.465	C	S	.	.			trans	-45.1	123.2	166.8	-56.4	178.1	0	0	0	106.1	K17 E21 S23 Q25 Y26 L29 V59	K17-I19 PolarHBondContact O-N 3.18Å; I19-E21 PolarHBondContact O-N 3.3Å; I19-S23 WeakPolarHBondContact CG2-OG 3.38Å; I19-Q25 HydrophobicContact CD1-CB 4.39Å; I19-Q25 HydrophobicContact CG2-CB 3.36Å; I19-Y26 VanDerWaalsContact CG2-N 3.3Å; I19-L29 HydrophobicContact CD1-CB 4.17Å; I19-L29 HydrophobicContact CD1-CD2 4.02Å; I19-V59 HydrophobicContact CD1-CG1 4.15Å; I19-V59 HydrophobicContact CD1-CG2 4.34Å
20	P	61.3	Low	55.2	Low	54 Å²	54	89.2 Å²	89.2	35%	0.351	46%	0.46	S	S	.	.			trans	-53	127.6	-169.1	-27	33.6	0	0	0	110.8	N18 G22 S23 Y26	N18-P20 VanDerWaalsContact O-N 3.09Å; P20-G22 PolarHBondContact O-N 2.95Å; P20-S23 WeakPolarHBondContact O-CB 3.21Å; P20-S23 PolarHBondContact O-N 3.41Å; P20-S23 PolarHBondContact O-OG 3.07Å; P20-Y26 WeakPolarHBondContact O-CB 3.23Å
21	E	59.3	Low	56.8	Low	158 Å²	158	89.1 Å²	89.1	74%	0.738	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	123.4	178.7	-68.3	-174.2	170.6	0	0	109.3	I19 Y26	I19-E21 PolarHBondContact O-N 3.3Å; E21-Y26 HydrophobicContact CB-CE1 4.41Å; E21-Y26 HydrophobicContact CG-CE1 4.5Å; E21-Y26 HydrophobicContact CG-CE2 3.96Å
22	G	63.1	Low	57.9	Low	61 Å²	61	80.2 Å²	80.2	63%	0.629	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	5.2	-175.9	0	0	0	0	0	115.8	P20	P20-G22 PolarHBondContact O-N 2.95Å
23	S	74	Confident	59.4	Low	23 Å²	23	78.4 Å²	78.4	16%	0.161	39%	0.391	C	S	.	.	S	Bend	trans	-81.7	156.9	166.9	63.1	0	0	0	0	111.9	I19 P20 Q25 Y26 E27	I19-S23 WeakPolarHBondContact CG2-OG 3.38Å; P20-S23 WeakPolarHBondContact O-CB 3.21Å; P20-S23 PolarHBondContact O-N 3.41Å; P20-S23 PolarHBondContact O-OG 3.07Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.47Å; S23-Y26 WeakPolarHBondContact O-CA 3.47Å; S23-Y26 VanDerWaalsContact O-CB 3.29Å; S23-Y26 WeakPolarHBondContact O-CB 3.4Å; S23-Y26 PolarHBondContact O-N 3.13Å; S23-Y26 PolarHBondContact OG-N 2.89Å; S23-E27 PolarHBondContact O-N 2.87Å
24	H	73.6	Confident	60.3	Low	61 Å²	61	75.2 Å²	75.2	28%	0.282	39%	0.391	S	S	.	.	H	α-helix	trans	-53.8	-45.3	175.7	-177	-109.9	0	0	0	113.2	Y26 E27 L28 E51 E55	H24-Y26 PolarHBondContact O-N 3.29Å; H24-E27 PolarHBondContact O-N 2.93Å; H24-E27 VanDerWaalsContact O-N 3.11Å; H24-L28 PolarHBondContact O-N 2.86Å; H24-E51 IonicContact CE1-OE1 3.61Å; H24-E51 IonicContact CE1-OE2 3.52Å; H24-E51 PolarHBondContact CE1-OE2 3.37Å; H24-E51 IonicContact NE2-OE1 2.85Å; H24-E51 PolarHBondContact NE2-OE1 2.81Å; H24-E51 IonicContact NE2-OE2 3.91Å; H24-E51 PolarHBondContact NE2-OE2 3.07Å; H24-E55 IonicContact CE1-OE1 3Å; H24-E55 IonicContact CE1-OE2 3.79Å; H24-E55 IonicContact CG-OE1 3.43Å; H24-E55 VanDerWaalsContact ND1-CD 3.34Å; H24-E55 IonicContact ND1-OE1 3.49Å; H24-E55 PolarHBondContact ND1-OE1 3.44Å; H24-E55 IonicContact ND1-OE2 2.83Å
25	Q	68.6	Low	61.7	Low	26 Å²	26	69 Å²	69	12%	0.121	37%	0.367	C	S	.	.	H	α-helix	trans	-57.5	-32.4	173.8	-71.2	-179.9	-7.3	0	0	113.1	I19 S23 L29 E55 V59 P133	I19-Q25 HydrophobicContact CD1-CB 4.39Å; I19-Q25 HydrophobicContact CG2-CB 3.36Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.47Å; Q25-L29 PolarHBondContact O-N 3.17Å; Q25-L29 VanDerWaalsContact O-N 3.1Å; Q25-E55 HydrophobicContact CG-CG 3.89Å; Q25-E55 WeakPolarHBondContact CG-OE1 3.5Å; Q25-V59 HydrophobicContact CB-CG2 3.81Å; Q25-V59 HydrophobicContact CG-CG2 3.95Å; Q25-P133 PolarHBondContact NE2-O 3.38Å
26	Y	71.5	Confident	62.8	Low	49 Å²	49	67.4 Å²	67.4	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-74.6	-35.4	179.6	175.4	-100.2	0	0	0	111.2	I19 P20 E21 S23 H24 L29 K30	I19-Y26 VanDerWaalsContact CG2-N 3.3Å; P20-Y26 WeakPolarHBondContact O-CB 3.23Å; E21-Y26 HydrophobicContact CB-CE1 4.41Å; E21-Y26 HydrophobicContact CG-CE1 4.5Å; E21-Y26 HydrophobicContact CG-CE2 3.96Å; S23-Y26 WeakPolarHBondContact O-CA 3.47Å; S23-Y26 VanDerWaalsContact O-CB 3.29Å; S23-Y26 WeakPolarHBondContact O-CB 3.4Å; S23-Y26 PolarHBondContact O-N 3.13Å; S23-Y26 PolarHBondContact OG-N 2.89Å; H24-Y26 PolarHBondContact O-N 3.29Å; Y26-L29 PolarHBondContact O-N 2.88Å; Y26-K30 HydrophobicContact CD1-CD 4.48Å; Y26-K30 HydrophobicContact CE1-CD 3.92Å; Y26-K30 VanDerWaalsContact CE1-NZ 3.31Å; Y26-K30 PolarHBondContact O-N 3.33Å; Y26-K30 VanDerWaalsContact O-N 3.1Å; Y26-K30 WeakPolarHBondContact OH-CE 3.5Å; Y26-K30 PolarHBondContact OH-NZ 3.45Å
27	E	75.3	Confident	63.8	Low	122 Å²	122	63.7 Å²	63.7	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-66.4	-40.5	172.9	-63.4	-173.9	167	0	0	111.5	S23 H24 L29 K30 H31	S23-E27 PolarHBondContact O-N 2.87Å; H24-E27 PolarHBondContact O-N 2.93Å; H24-E27 VanDerWaalsContact O-N 3.11Å; E27-L29 PolarHBondContact O-N 3.47Å; E27-K30 PolarHBondContact O-N 3.26Å; E27-H31 PolarHBondContact O-N 3.46Å
28	L	67.4	Low	64.2	Low	8 Å²	8	64.6 Å²	64.6	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-43.2	173.5	-72.3	175.1	0	0	0	112.4	H24 H31 A32 E51 E55 W56 V59	H24-L28 PolarHBondContact O-N 2.86Å; L28-H31 PolarHBondContact O-N 3.27Å; L28-A32 PolarHBondContact O-N 2.96Å; L28-E51 HydrophobicContact CD2-CG 3.97Å; L28-E55 HydrophobicContact CD1-CG 3.94Å; L28-W56 HydrophobicContact CB-CE3 4.3Å; L28-W56 HydrophobicContact CB-CZ3 4.1Å; L28-W56 HydrophobicContact CD2-CE3 4.03Å; L28-W56 HydrophobicContact CD2-CZ3 4.05Å; L28-V59 HydrophobicContact CB-CG1 4.37Å; L28-V59 HydrophobicContact CB-CG2 4.3Å; L28-V59 HydrophobicContact CD1-CG2 4.42Å
29	L	71	Confident	64.6	Low	31 Å²	31	61.3 Å²	61.3	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-46.5	175.9	-177.6	64.6	0	0	0	111.2	I19 Q25 Y26 E27 H31 A32 E33 V59 D63	I19-L29 HydrophobicContact CD1-CB 4.17Å; I19-L29 HydrophobicContact CD1-CD2 4.02Å; Q25-L29 PolarHBondContact O-N 3.17Å; Q25-L29 VanDerWaalsContact O-N 3.1Å; Y26-L29 PolarHBondContact O-N 2.88Å; E27-L29 PolarHBondContact O-N 3.47Å; L29-H31 VanDerWaalsContact C-N 3.3Å; L29-H31 PolarHBondContact O-N 3.47Å; L29-A32 WeakPolarHBondContact O-CB 3.28Å; L29-A32 PolarHBondContact O-N 3.27Å; L29-E33 WeakPolarHBondContact O-CG 3.41Å; L29-E33 PolarHBondContact O-N 3.07Å; L29-V59 HydrophobicContact CB-CG1 3.81Å; L29-V59 HydrophobicContact CD1-CG1 4.11Å; L29-D63 HydrophobicContact CD1-CB 3.89Å
30	K	72.4	Confident	65.4	Low	104 Å²	104	63.5 Å²	63.5	45%	0.452	38%	0.382	S	S	.	.	H	α-helix	trans	-60.8	-39	176.8	-80.8	-171.7	170.9	173	0	112.9	Y26 E27 E33 A34	Y26-K30 HydrophobicContact CD1-CD 4.48Å; Y26-K30 HydrophobicContact CE1-CD 3.92Å; Y26-K30 VanDerWaalsContact CE1-NZ 3.31Å; Y26-K30 PolarHBondContact O-N 3.33Å; Y26-K30 VanDerWaalsContact O-N 3.1Å; Y26-K30 WeakPolarHBondContact OH-CE 3.5Å; Y26-K30 PolarHBondContact OH-NZ 3.45Å; E27-K30 PolarHBondContact O-N 3.26Å; K30-E33 PolarHBondContact O-N 2.89Å; K30-A34 VanDerWaalsContact O-CB 3.31Å; K30-A34 WeakPolarHBondContact O-CB 3.32Å; K30-A34 PolarHBondContact O-N 3.21Å
31	H	66.3	Low	66.3	Low	100 Å²	100	61.6 Å²	61.6	46%	0.463	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-42.3	177.7	-173.7	-100	0	0	0	111.5	E27 L28 L29 T35	E27-H31 PolarHBondContact O-N 3.46Å; L28-H31 PolarHBondContact O-N 3.27Å; L29-H31 VanDerWaalsContact C-N 3.3Å; L29-H31 PolarHBondContact O-N 3.47Å; H31-T35 WeakPolarHBondContact O-CG2 3.29Å; H31-T35 PolarHBondContact O-N 3.04Å; H31-T35 PolarHBondContact O-OG1 2.98Å
32	A	58.2	Low	67.3	Low	1 Å²	1	57.8 Å²	57.8	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-52.1	172.6	0	0	0	0	0	110.7	L28 L29 A34 T35 L36 W56	L28-A32 PolarHBondContact O-N 2.96Å; L29-A32 WeakPolarHBondContact O-CB 3.28Å; L29-A32 PolarHBondContact O-N 3.27Å; A32-A34 PolarHBondContact O-N 2.93Å; A32-T35 PolarHBondContact O-N 3.25Å; A32-T35 PolarHBondContact O-OG1 3.44Å; A32-L36 WeakPolarHBondContact O-CG 3.37Å; A32-L36 PolarHBondContact O-N 3.43Å; A32-W56 HydrophobicContact CB-CH2 3.83Å; A32-W56 HydrophobicContact CB-CZ3 4.44Å
33	E	66.1	Low	68.2	Low	99 Å²	99	60.4 Å²	60.4	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-42.2	-179.4	-71.3	175.8	171.5	0	0	113.2	L29 K30 T35 L36	L29-E33 WeakPolarHBondContact O-CG 3.41Å; L29-E33 PolarHBondContact O-N 3.07Å; K30-E33 PolarHBondContact O-N 2.89Å; E33-T35 VanDerWaalsContact C-N 3.29Å; E33-T35 PolarHBondContact O-N 3.33Å; E33-L36 WeakPolarHBondContact O-CB 3.37Å; E33-L36 PolarHBondContact O-N 2.79Å
34	A	57.3	Low	68.7	Low	76 Å²	76	59.6 Å²	59.6	63%	0.628	34%	0.339	S	S	*	.	H	α-helix	trans	-64.7	-34.1	179.7	0	0	0	0	0	112.5	K30 A32	K30-A34 VanDerWaalsContact O-CB 3.31Å; K30-A34 WeakPolarHBondContact O-CB 3.32Å; K30-A34 PolarHBondContact O-N 3.21Å; A32-A34 PolarHBondContact O-N 2.93Å
35	T	60	Low	69.5	Low	34 Å²	34	56.8 Å²	56.8	21%	0.209	33%	0.326	C	S	.	.	H	α-helix	trans	-80	-19.8	-179.3	52.3	0	0	0	0	112.9	H31 A32 E33 G37 S38 A44	H31-T35 WeakPolarHBondContact O-CG2 3.29Å; H31-T35 PolarHBondContact O-N 3.04Å; H31-T35 PolarHBondContact O-OG1 2.98Å; A32-T35 PolarHBondContact O-N 3.25Å; A32-T35 PolarHBondContact O-OG1 3.44Å; E33-T35 VanDerWaalsContact C-N 3.29Å; E33-T35 PolarHBondContact O-N 3.33Å; T35-G37 VanDerWaalsContact C-N 3.25Å; T35-G37 PolarHBondContact O-N 3.2Å; T35-S38 WeakPolarHBondContact O-CB 3.4Å; T35-S38 PolarHBondContact O-N 3.22Å; T35-S38 VanDerWaalsContact O-N 3.16Å; T35-S38 PolarHBondContact O-OG 3.04Å; T35-A44 VanDerWaalsContact OG1-CB 3.29Å; T35-A44 WeakPolarHBondContact OG1-CB 3.3Å
36	L	59.9	Low	70.7	Confident	47 Å²	47	59.6 Å²	59.6	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-32.6	172.1	-63.3	174.4	0	0	0	112.6	A32 E33 S38 L41 A44 H186	A32-L36 WeakPolarHBondContact O-CG 3.37Å; A32-L36 PolarHBondContact O-N 3.43Å; E33-L36 WeakPolarHBondContact O-CB 3.37Å; E33-L36 PolarHBondContact O-N 2.79Å; L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.87Å; L36-L41 HydrophobicContact CB-CD2 4.31Å; L36-L41 HydrophobicContact CD2-CD2 3.3Å; L36-L41 HydrophobicContact CG-CD2 4.4Å; L36-A44 HydrophobicContact CD2-CB 4.44Å; L36-H186 HydrophobicContact CD2-CB 4.38Å
37	G	56.6	Low	71.7	Confident	75 Å²	75	60.3 Å²	60.3	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.9	178	0	0	0	0	0	115	T35 G39	T35-G37 VanDerWaalsContact C-N 3.25Å; T35-G37 PolarHBondContact O-N 3.2Å; G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 3.36Å
38	S	56.1	Low	72.5	Confident	83 Å²	83	55.9 Å²	55.9	58%	0.58	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8	-176	73	0	0	0	0	114.4	T35 L36 N40	T35-S38 WeakPolarHBondContact O-CB 3.4Å; T35-S38 PolarHBondContact O-N 3.22Å; T35-S38 VanDerWaalsContact O-N 3.16Å; T35-S38 PolarHBondContact O-OG 3.04Å; L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.87Å; S38-N40 VanDerWaalsContact C-N 3.3Å; S38-N40 PolarHBondContact O-N 2.93Å
39	G	62.7	Low	73.6	Confident	59 Å²	59	65 Å²	65	61%	0.608	37%	0.372	S	S	*	.	S	Bend	trans	83.5	-9.6	178.5	0	0	0	0	0	115.4	G37	G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 3.36Å
40	N	72.5	Confident	74.5	Confident	63 Å²	63	67.4 Å²	67.4	34%	0.337	40%	0.404	S	S	.	.			trans	-112.2	80.9	175.4	-167.4	-15.3	0	0	0	112.1	S38 R42 M43 A44	S38-N40 VanDerWaalsContact C-N 3.3Å; S38-N40 PolarHBondContact O-N 2.93Å; N40-R42 PolarHBondContact O-N 2.89Å; N40-R42 VanDerWaalsContact O-N 3.13Å; N40-R42 PolarHBondContact OD1-N 2.65Å; N40-M43 PolarHBondContact O-N 3.38Å; N40-M43 VanDerWaalsContact O-N 3.13Å; N40-A44 PolarHBondContact O-N 3.48Å
41	L	79.8	Confident	75.4	Confident	13 Å²	13	64.9 Å²	64.9	7%	0.068	39%	0.393	C	S	.	.	H	α-helix	trans	-60.6	-21.2	-179.4	-64.7	175.4	0	0	0	113.8	L36 V45 K185 F189	L36-L41 HydrophobicContact CB-CD2 4.31Å; L36-L41 HydrophobicContact CD2-CD2 3.3Å; L36-L41 HydrophobicContact CG-CD2 4.4Å; L41-V45 PolarHBondContact O-N 3.09Å; L41-K185 HydrophobicContact CD1-CB 4.17Å; L41-K185 HydrophobicContact CD1-CD 3.76Å; L41-K185 HydrophobicContact CD1-CG 3.8Å; L41-F189 HydrophobicContact CB-CD2 3.62Å; L41-F189 HydrophobicContact CB-CE2 3.83Å
42	R	81.6	Confident	76.6	Confident	78 Å²	78	63.5 Å²	63.5	29%	0.294	39%	0.389	S	S	.	.	H	α-helix	trans	-69.1	-39.8	175.8	-73	-174.5	-174.6	-83.7	-1.9	111.8	N40 A44 V45 F189 T213 D216	N40-R42 PolarHBondContact O-N 2.89Å; N40-R42 VanDerWaalsContact O-N 3.13Å; N40-R42 PolarHBondContact OD1-N 2.65Å; R42-A44 VanDerWaalsContact C-N 3.32Å; R42-V45 WeakPolarHBondContact O-CG2 3.32Å; R42-F189 HydrophobicContact CG-CD1 3.93Å; R42-F189 HydrophobicContact CG-CD2 3.91Å; R42-F189 HydrophobicContact CG-CE1 3.8Å; R42-F189 HydrophobicContact CG-CE2 3.75Å; R42-F189 HydrophobicContact CG-CG 4.01Å; R42-F189 HydrophobicContact CG-CZ 3.71Å; R42-T213 PolarHBondContact NH2-O 3Å; R42-D216 WeakPolarHBondContact CD-O 3.35Å; R42-D216 PolarHBondContact NE-O 3.18Å
43	M	82.2	Confident	78.3	Confident	117 Å²	117	66.7 Å²	66.7	58%	0.576	41%	0.406	S	S	*	.	H	α-helix	trans	-70.9	-34.1	177.4	-69.6	-175.8	68.1	0	0	111.4	N40 V45 M46	N40-M43 PolarHBondContact O-N 3.38Å; N40-M43 VanDerWaalsContact O-N 3.13Å; M43-V45 PolarHBondContact O-N 3.22Å; M43-M46 HydrophobicContact CB-CE 4.18Å; M43-M46 HydrophobicContact CE-CE 4.45Å; M43-M46 HydrophobicContact CG-CE 4.25Å; M43-M46 PolarHBondContact O-N 3.44Å
44	A	83.3	Confident	79.7	Confident	5 Å²	5	64.1 Å²	64.1	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-26.9	179.7	0	0	0	0	0	113.6	T35 L36 N40 R42	T35-A44 VanDerWaalsContact OG1-CB 3.29Å; T35-A44 WeakPolarHBondContact OG1-CB 3.3Å; L36-A44 HydrophobicContact CD2-CB 4.44Å; N40-A44 PolarHBondContact O-N 3.48Å; R42-A44 VanDerWaalsContact C-N 3.32Å
45	V	91.6	Very high	81.3	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.4	-178.5	-62.2	0	0	0	0	114.3	L41 R42 M43 W56 H186 F189 F190 E193 F194	L41-V45 PolarHBondContact O-N 3.09Å; R42-V45 WeakPolarHBondContact O-CG2 3.32Å; M43-V45 PolarHBondContact O-N 3.22Å; V45-W56 PolarHBondContact O-NE1 3.18Å; V45-H186 VanDerWaalsContact CG1-CD2 3.4Å; V45-H186 WeakPolarHBondContact CG1-CD2 3.44Å; V45-F189 HydrophobicContact CG1-CB 4.17Å; V45-F189 HydrophobicContact CG2-CB 3.99Å; V45-F190 HydrophobicContact CB-CB 4.29Å; V45-F190 HydrophobicContact CB-CD2 3.95Å; V45-F190 HydrophobicContact CG1-CB 3.9Å; V45-F190 HydrophobicContact CG1-CD2 4.09Å; V45-E193 HydrophobicContact CG2-CB 4.2Å; V45-E193 HydrophobicContact CG2-CG 4.42Å; V45-F194 VanDerWaalsContact O-CE2 3.24Å; V45-F194 WeakPolarHBondContact O-CE2 3.26Å; V45-F194 WeakPolarHBondContact O-CZ 3.41Å
46	M	92.3	Very high	82.9	Confident	86 Å²	86	60.8 Å²	60.8	42%	0.424	36%	0.364	S	S	.	.	S	Bend	trans	-63.3	145	-178.1	-63.7	-172.9	-48.8	0	0	110.6	M43 P48	M43-M46 HydrophobicContact CB-CE 4.18Å; M43-M46 HydrophobicContact CE-CE 4.45Å; M43-M46 HydrophobicContact CG-CE 4.25Å; M43-M46 PolarHBondContact O-N 3.44Å; M46-P48 VanDerWaalsContact O-CD 3.3Å; M46-P48 WeakPolarHBondContact O-CD 3.25Å
47	L	93.5	Very high	84.6	Confident	63 Å²	63	58.5 Å²	58.5	33%	0.33	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62.8	121.7	173	-178.4	65.9	0	0	0	108.8	E51 L53 W56 F194	L47-E51 HydrophobicContact CD1-CB 3.79Å; L47-E51 HydrophobicContact CG-CB 4.35Å; L47-L53 HydrophobicContact CD2-CB 4.31Å; L47-L53 HydrophobicContact CD2-CD1 4.49Å; L47-W56 HydrophobicContact CD1-CB 3.43Å; L47-W56 VanDerWaalsContact CD1-CB 3.43Å; L47-W56 HydrophobicContact CD1-CG 3.68Å; L47-F194 HydrophobicContact CB-CE1 4.05Å; L47-F194 HydrophobicContact CB-CZ 4.07Å
48	P	91.8	Very high	86.4	Confident	29 Å²	29	55.1 Å²	55.1	19%	0.188	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.5	153.6	176.8	-17.3	29.8	0	0	0	111.6	M46 G50 E51 W56	M46-P48 VanDerWaalsContact O-CD 3.3Å; M46-P48 WeakPolarHBondContact O-CD 3.25Å; P48-G50 PolarHBondContact O-N 2.88Å; P48-E51 HydrophobicContact CB-CB 4.46Å; P48-E51 HydrophobicContact CB-CG 3.66Å; P48-E51 HydrophobicContact CG-CG 3.99Å; P48-E51 WeakPolarHBondContact O-CB 3.43Å; P48-E51 PolarHBondContact O-N 2.55Å; P48-W56 HydrophobicContact CG-CE3 4.38Å; P48-W56 HydrophobicContact CG-CH2 4.35Å; P48-W56 HydrophobicContact CG-CZ3 4.24Å
49	E	90.6	Very high	88.1	Confident	201 Å²	201	51.3 Å²	51.3	94%	0.939	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	125.9	-177.2	-172.5	176.4	-177.1	0	0	110.9
50	G	90.2	Very high	89.7	Confident	81 Å²	81	48.5 Å²	48.5	84%	0.835	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-4.5	179.9	0	0	0	0	0	115.2	P48	P48-G50 PolarHBondContact O-N 2.88Å
51	E	91.3	Very high	90.8	Very high	51 Å²	51	45.5 Å²	45.5	24%	0.238	25%	0.245	C	C	.	.			trans	-84.4	152.2	-177	-67.1	-59	153	0	0	114.3	H24 L28 L47 P48	H24-E51 IonicContact CE1-OE1 3.61Å; H24-E51 IonicContact CE1-OE2 3.52Å; H24-E51 PolarHBondContact CE1-OE2 3.37Å; H24-E51 IonicContact NE2-OE1 2.85Å; H24-E51 PolarHBondContact NE2-OE1 2.81Å; H24-E51 IonicContact NE2-OE2 3.91Å; H24-E51 PolarHBondContact NE2-OE2 3.07Å; L28-E51 HydrophobicContact CD2-CG 3.97Å; L47-E51 HydrophobicContact CD1-CB 3.79Å; L47-E51 HydrophobicContact CG-CB 4.35Å; P48-E51 HydrophobicContact CB-CB 4.46Å; P48-E51 HydrophobicContact CB-CG 3.66Å; P48-E51 HydrophobicContact CG-CG 3.99Å; P48-E51 WeakPolarHBondContact O-CB 3.43Å; P48-E51 PolarHBondContact O-N 2.55Å
52	D	91.7	Very high	91.5	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	25%	0.25	S	S	.	.			trans	-78.8	131.3	172.4	179.9	-99.4	0	0	0	111.4	N54 E55 W56	D52-N54 VanDerWaalsContact C-N 3.33Å; D52-N54 PolarHBondContact O-N 3.16Å; D52-N54 WeakPolarHBondContact OD1-CA 3.44Å; D52-N54 WeakPolarHBondContact OD1-CB 3.35Å; D52-N54 PolarHBondContact OD1-N 3.41Å; D52-E55 HydrophobicContact CB-CB 4.08Å; D52-E55 PolarHBondContact O-N 2.91Å; D52-E55 PolarHBondContact OD1-N 3.37Å; D52-W56 PolarHBondContact O-N 2.91Å
53	L	94.2	Very high	92.1	Very high	67 Å²	67	43.3 Å²	43.3	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-38.5	-179.5	176.9	61.8	0	0	0	112.8	L47 V57 M146 F194	L47-L53 HydrophobicContact CD2-CB 4.31Å; L47-L53 HydrophobicContact CD2-CD1 4.49Å; L53-V57 HydrophobicContact CD1-CG2 4.11Å; L53-V57 WeakPolarHBondContact O-CB 3.4Å; L53-V57 VanDerWaalsContact O-CG2 3.28Å; L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.16Å; L53-M146 HydrophobicContact CD2-CE 4.26Å; L53-M146 HydrophobicContact CG-CE 4.16Å; L53-F194 HydrophobicContact CD1-CD1 3.44Å; L53-F194 VanDerWaalsContact CD1-CD1 3.44Å; L53-F194 HydrophobicContact CD1-CE1 3.55Å; L53-F194 HydrophobicContact CD1-CG 4.22Å; L53-F194 HydrophobicContact CD1-CZ 4.4Å
54	N	94.1	Very high	92.8	Very high	46 Å²	46	37.7 Å²	37.7	25%	0.246	21%	0.213	C	C	.	.	H	α-helix	trans	-71.6	-37.9	-178.5	-58.7	-52.9	0	0	0	110.7	D52 V57 A58 F141 F145	D52-N54 VanDerWaalsContact C-N 3.33Å; D52-N54 PolarHBondContact O-N 3.16Å; D52-N54 WeakPolarHBondContact OD1-CA 3.44Å; D52-N54 WeakPolarHBondContact OD1-CB 3.35Å; D52-N54 PolarHBondContact OD1-N 3.41Å; N54-V57 PolarHBondContact O-N 2.69Å; N54-A58 VanDerWaalsContact O-CB 3.26Å; N54-A58 WeakPolarHBondContact O-CB 3.48Å; N54-A58 PolarHBondContact O-N 2.81Å; N54-F141 HydrophobicContact CB-CB 4.09Å; N54-F141 HydrophobicContact CB-CD1 4.08Å; N54-F141 HydrophobicContact CB-CD2 3.43Å; N54-F141 VanDerWaalsContact CB-CD2 3.43Å; N54-F141 HydrophobicContact CB-CE1 4.38Å; N54-F141 HydrophobicContact CB-CE2 3.8Å; N54-F141 HydrophobicContact CB-CG 3.59Å; N54-F141 HydrophobicContact CB-CZ 4.26Å; N54-F145 HydrophobicContact CB-CD1 3.57Å; N54-F145 HydrophobicContact CB-CE1 3.6Å; N54-F145 HydrophobicContact CB-CG 4.46Å; N54-F145 HydrophobicContact CB-CZ 4.49Å; N54-F145 VanDerWaalsContact O-CE1 3.31Å; N54-F145 WeakPolarHBondContact O-CE1 3.33Å; N54-F145 VanDerWaalsContact O-CZ 3.31Å; N54-F145 WeakPolarHBondContact O-CZ 3.13Å; N54-F145 WeakPolarHBondContact OD1-CD1 3.42Å
55	E	91.8	Very high	93.5	Very high	38 Å²	38	37.7 Å²	37.7	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-46.6	175.1	-164.6	162.1	-179.2	0	0	111.7	H24 Q25 L28 D52 V57 A58 V59 F141	H24-E55 IonicContact CE1-OE1 3Å; H24-E55 IonicContact CE1-OE2 3.79Å; H24-E55 IonicContact CG-OE1 3.43Å; H24-E55 VanDerWaalsContact ND1-CD 3.34Å; H24-E55 IonicContact ND1-OE1 3.49Å; H24-E55 PolarHBondContact ND1-OE1 3.44Å; H24-E55 IonicContact ND1-OE2 2.83Å; Q25-E55 HydrophobicContact CG-CG 3.89Å; Q25-E55 WeakPolarHBondContact CG-OE1 3.5Å; L28-E55 HydrophobicContact CD1-CG 3.94Å; D52-E55 HydrophobicContact CB-CB 4.08Å; D52-E55 PolarHBondContact O-N 2.91Å; D52-E55 PolarHBondContact OD1-N 3.37Å; E55-V57 VanDerWaalsContact C-N 3.35Å; E55-V57 PolarHBondContact O-N 3.12Å; E55-A58 WeakPolarHBondContact O-CB 3.41Å; E55-A58 PolarHBondContact O-N 3.3Å; E55-A58 VanDerWaalsContact O-N 3.12Å; E55-V59 WeakPolarHBondContact O-CG2 3.1Å; E55-V59 PolarHBondContact O-N 3.37Å; E55-F141 HydrophobicContact CB-CE2 4Å; E55-F141 HydrophobicContact CB-CZ 4.34Å
56	W	93.9	Very high	93.6	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-43.8	175.5	-172.5	-121.7	0	0	0	112.6	L28 A32 V45 L47 P48 D52 A58 N60 F190 F194	L28-W56 HydrophobicContact CB-CE3 4.3Å; L28-W56 HydrophobicContact CB-CZ3 4.1Å; L28-W56 HydrophobicContact CD2-CE3 4.03Å; L28-W56 HydrophobicContact CD2-CZ3 4.05Å; A32-W56 HydrophobicContact CB-CH2 3.83Å; A32-W56 HydrophobicContact CB-CZ3 4.44Å; V45-W56 PolarHBondContact O-NE1 3.18Å; L47-W56 HydrophobicContact CD1-CB 3.43Å; L47-W56 VanDerWaalsContact CD1-CB 3.43Å; L47-W56 HydrophobicContact CD1-CG 3.68Å; P48-W56 HydrophobicContact CG-CE3 4.38Å; P48-W56 HydrophobicContact CG-CH2 4.35Å; P48-W56 HydrophobicContact CG-CZ3 4.24Å; D52-W56 PolarHBondContact O-N 2.91Å; W56-A58 VanDerWaalsContact C-N 3.35Å; W56-N60 VanDerWaalsContact CE2-ND2 3.32Å; W56-N60 WeakPolarHBondContact O-CB 3.46Å; W56-N60 PolarHBondContact O-N 3.31Å; W56-N60 PolarHBondContact O-ND2 2.87Å; W56-F190 AromaticContact CD1-CE2 3.89Å; W56-F190 AromaticContact NE1-CE2 3.61Å; W56-F194 AromaticContact CD1-CE2 3.64Å; W56-F194 AromaticContact CD1-CZ 3.43Å; W56-F194 VanDerWaalsContact CD1-CZ 3.43Å; W56-F194 AromaticContact NE1-CE2 3.7Å; W56-F194 AromaticContact NE1-CZ 3.63Å
57	V	95.9	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-36.8	174.8	170	0	0	0	0	111.9	L53 N54 E55 T61 F145 M146 A149 F190 L196	L53-V57 HydrophobicContact CD1-CG2 4.11Å; L53-V57 WeakPolarHBondContact O-CB 3.4Å; L53-V57 VanDerWaalsContact O-CG2 3.28Å; L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.16Å; N54-V57 PolarHBondContact O-N 2.69Å; E55-V57 VanDerWaalsContact C-N 3.35Å; E55-V57 PolarHBondContact O-N 3.12Å; V57-T61 WeakPolarHBondContact O-CB 3.32Å; V57-T61 PolarHBondContact O-N 3.29Å; V57-T61 PolarHBondContact O-OG1 2.91Å; V57-F145 HydrophobicContact CB-CE1 4.15Å; V57-F145 HydrophobicContact CB-CZ 4.41Å; V57-F145 HydrophobicContact CG1-CE1 3.98Å; V57-F145 HydrophobicContact CG1-CZ 4.11Å; V57-M146 HydrophobicContact CB-CE 4.44Å; V57-M146 HydrophobicContact CG1-CE 4.49Å; V57-M146 HydrophobicContact CG1-SD 4.43Å; V57-M146 HydrophobicContact CG2-CE 4.13Å; V57-A149 HydrophobicContact CG1-CB 3.7Å; V57-F190 HydrophobicContact CG2-CE1 4.27Å; V57-F190 HydrophobicContact CG2-CZ 4.03Å; V57-L196 HydrophobicContact CG1-CD1 4.47Å; V57-L196 HydrophobicContact CG2-CD1 4.38Å
58	A	93.8	Very high	93.9	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-51	179.1	0	0	0	0	0	111.4	N54 E55 W56 N60 T61 V62 F132 F141 F145	N54-A58 VanDerWaalsContact O-CB 3.26Å; N54-A58 WeakPolarHBondContact O-CB 3.48Å; N54-A58 PolarHBondContact O-N 2.81Å; E55-A58 WeakPolarHBondContact O-CB 3.41Å; E55-A58 PolarHBondContact O-N 3.3Å; E55-A58 VanDerWaalsContact O-N 3.12Å; W56-A58 VanDerWaalsContact C-N 3.35Å; A58-N60 PolarHBondContact O-N 3.45Å; A58-T61 PolarHBondContact O-N 2.88Å; A58-V62 WeakPolarHBondContact O-CG2 3.34Å; A58-V62 PolarHBondContact O-N 2.98Å; A58-F132 HydrophobicContact CB-CD1 3.85Å; A58-F132 HydrophobicContact CB-CE1 3.88Å; A58-F141 HydrophobicContact CB-CE1 3.82Å; A58-F141 HydrophobicContact CB-CZ 3.82Å; A58-F145 HydrophobicContact CB-CE2 4.09Å; A58-F145 HydrophobicContact CB-CZ 3.75Å
59	V	92.3	Very high	93.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-49.8	180	172.3	0	0	0	0	110.8	I19 Q25 L28 L29 E55 T61 V62 D63	I19-V59 HydrophobicContact CD1-CG1 4.15Å; I19-V59 HydrophobicContact CD1-CG2 4.34Å; Q25-V59 HydrophobicContact CB-CG2 3.81Å; Q25-V59 HydrophobicContact CG-CG2 3.95Å; L28-V59 HydrophobicContact CB-CG1 4.37Å; L28-V59 HydrophobicContact CB-CG2 4.3Å; L28-V59 HydrophobicContact CD1-CG2 4.42Å; L29-V59 HydrophobicContact CB-CG1 3.81Å; L29-V59 HydrophobicContact CD1-CG1 4.11Å; E55-V59 WeakPolarHBondContact O-CG2 3.1Å; E55-V59 PolarHBondContact O-N 3.37Å; V59-T61 PolarHBondContact O-N 3.28Å; V59-V62 PolarHBondContact O-N 3.16Å; V59-D63 PolarHBondContact O-N 3.29Å
60	N	95.2	Very high	94.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-34.7	179.5	-77.2	-86.2	0	0	0	112.5	W56 A58 V62 D63 F64 F190	W56-N60 VanDerWaalsContact CE2-ND2 3.32Å; W56-N60 WeakPolarHBondContact O-CB 3.46Å; W56-N60 PolarHBondContact O-N 3.31Å; W56-N60 PolarHBondContact O-ND2 2.87Å; A58-N60 PolarHBondContact O-N 3.45Å; N60-V62 VanDerWaalsContact C-N 3.33Å; N60-V62 PolarHBondContact O-N 2.98Å; N60-D63 PolarHBondContact O-N 3.34Å; N60-F64 HydrophobicContact CB-CD2 4.42Å; N60-F64 HydrophobicContact CB-CE2 3.98Å; N60-F64 WeakPolarHBondContact O-CD2 3.32Å; N60-F64 WeakPolarHBondContact O-CG 3.4Å; N60-F64 PolarHBondContact O-N 3.44Å; N60-F190 HydrophobicContact CB-CD1 4.41Å; N60-F190 HydrophobicContact CB-CD2 3.98Å; N60-F190 HydrophobicContact CB-CE1 3.9Å; N60-F190 HydrophobicContact CB-CE2 3.43Å; N60-F190 VanDerWaalsContact CB-CE2 3.43Å; N60-F190 HydrophobicContact CB-CG 4.45Å; N60-F190 HydrophobicContact CB-CZ 3.41Å; N60-F190 VanDerWaalsContact CB-CZ 3.41Å; N60-F190 WeakPolarHBondContact ND2-CE2 3.45Å
61	T	96.5	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-40.6	175.7	-62.1	0	0	0	0	111.7	V57 A58 V59 F65 L126 F132 I152 L153	V57-T61 WeakPolarHBondContact O-CB 3.32Å; V57-T61 PolarHBondContact O-N 3.29Å; V57-T61 PolarHBondContact O-OG1 2.91Å; A58-T61 PolarHBondContact O-N 2.88Å; V59-T61 PolarHBondContact O-N 3.28Å; T61-F65 WeakPolarHBondContact O-CB 3.24Å; T61-F65 PolarHBondContact O-N 2.91Å; T61-L126 HydrophobicContact CG2-CD2 4.41Å; T61-F132 HydrophobicContact CG2-CZ 4.35Å; T61-I152 HydrophobicContact CG2-CB 4.24Å; T61-I152 HydrophobicContact CG2-CD1 4.39Å; T61-I152 HydrophobicContact CG2-CG2 3.58Å; T61-L153 HydrophobicContact CG2-CD2 4.44Å
62	V	94.4	Very high	94.6	Very high	28 Å²	28	29.2 Å²	29.2	17%	0.17	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-45.2	175.4	173.4	0	0	0	0	110.7	A58 V59 N60 F65 N66 L126 F132	A58-V62 WeakPolarHBondContact O-CG2 3.34Å; A58-V62 PolarHBondContact O-N 2.98Å; V59-V62 PolarHBondContact O-N 3.16Å; N60-V62 VanDerWaalsContact C-N 3.33Å; N60-V62 PolarHBondContact O-N 2.98Å; V62-F65 PolarHBondContact O-N 2.95Å; V62-N66 PolarHBondContact O-N 3.32Å; V62-N66 PolarHBondContact O-ND2 2.92Å; V62-L126 HydrophobicContact CG2-CD1 4.23Å; V62-L126 HydrophobicContact CG2-CD2 3.89Å; V62-F132 HydrophobicContact CG2-CD1 4.41Å
63	D	93	Very high	94.8	Very high	16 Å²	16	28 Å²	28	9%	0.086	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-49	177.7	-177.9	33.3	0	0	0	111.8	L29 V59 N60 F65 N66 Q67	L29-D63 HydrophobicContact CD1-CB 3.89Å; V59-D63 PolarHBondContact O-N 3.29Å; N60-D63 PolarHBondContact O-N 3.34Å; D63-F65 VanDerWaalsContact C-N 3.33Å; D63-F65 PolarHBondContact O-N 3.25Å; D63-N66 PolarHBondContact O-N 3.11Å; D63-N66 VanDerWaalsContact O-N 3.13Å; D63-Q67 WeakPolarHBondContact O-CG 3.46Å; D63-Q67 PolarHBondContact O-N 3.4Å; D63-Q67 PolarHBondContact OD1-NE2 3.49Å; D63-Q67 PolarHBondContact OD2-NE2 3.32Å
64	F	97.3	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-40.6	176.2	-68	-50.5	0	0	0	113	N60 N66 Q67 I68 L153 L156 H186 F187 F190	N60-F64 HydrophobicContact CB-CD2 4.42Å; N60-F64 HydrophobicContact CB-CE2 3.98Å; N60-F64 WeakPolarHBondContact O-CD2 3.32Å; N60-F64 WeakPolarHBondContact O-CG 3.4Å; N60-F64 PolarHBondContact O-N 3.44Å; F64-N66 VanDerWaalsContact C-N 3.34Å; F64-N66 PolarHBondContact O-N 3.35Å; F64-Q67 PolarHBondContact O-N 3.25Å; F64-I68 WeakPolarHBondContact O-CB 3.48Å; F64-I68 WeakPolarHBondContact O-CD1 3.49Å; F64-I68 WeakPolarHBondContact O-CG1 3.38Å; F64-I68 PolarHBondContact O-N 3.01Å; F64-L153 HydrophobicContact CD2-CD2 4.01Å; F64-L156 HydrophobicContact CB-CD1 4.48Å; F64-H186 HydrophobicContact CE1-CB 4.3Å; F64-H186 AromaticContact CE1-CE1 3.75Å; F64-H186 AromaticContact CE1-CG 3.77Å; F64-H186 AromaticContact CE1-ND1 3.45Å; F64-H186 WeakPolarHBondContact CE1-ND1 3.41Å; F64-H186 AromaticContact CZ-CE1 3.74Å; F64-H186 AromaticContact CZ-ND1 3.86Å; F64-H186 AromaticContact CZ-NE2 3.85Å; F64-F187 HydrophobicContact CB-CD2 4.04Å; F64-F187 HydrophobicContact CB-CE2 4.44Å; F64-F187 HydrophobicContact CD1-CB 3.96Å; F64-F187 AromaticContact CD1-CD2 3.8Å; F64-F187 HydrophobicContact CD1-CD2 3.8Å; F64-F187 HydrophobicContact CD1-CG 4.4Å; F64-F187 AromaticContact CD2-CD2 3.93Å; F64-F187 HydrophobicContact CD2-CD2 3.93Å; F64-F187 HydrophobicContact CD2-CE2 4.47Å; F64-F187 VanDerWaalsContact CE1-CA 3.4Å; F64-F187 HydrophobicContact CE1-CB 3.8Å; F64-F187 HydrophobicContact CE1-CD2 4.27Å; F64-F187 HydrophobicContact CE2-CD2 4.39Å; F64-F187 AromaticContact CG-CD2 3.65Å; F64-F187 HydrophobicContact CG-CD2 3.65Å; F64-F187 HydrophobicContact CG-CE2 4.38Å; F64-F187 HydrophobicContact CZ-CB 4.34Å; F64-F190 HydrophobicContact CE2-CB 3.73Å; F64-F190 AromaticContact CE2-CD1 3.63Å; F64-F190 HydrophobicContact CE2-CD1 3.63Å; F64-F190 HydrophobicContact CE2-CD2 4.27Å; F64-F190 HydrophobicContact CE2-CE1 4.36Å; F64-F190 AromaticContact CE2-CG 3.6Å; F64-F190 HydrophobicContact CE2-CG 3.6Å; F64-F190 HydrophobicContact CZ-CB 3.66Å; F64-F190 HydrophobicContact CZ-CD1 4.43Å; F64-F190 AromaticContact CZ-CG 3.96Å; F64-F190 HydrophobicContact CZ-CG 3.96Å
65	F	97.6	Very high	94.8	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-47.8	174.7	167.9	-104.2	0	0	0	111.2	T61 V62 D63 I68 N69 M119 V122 Q123 L126 L156	T61-F65 WeakPolarHBondContact O-CB 3.24Å; T61-F65 PolarHBondContact O-N 2.91Å; V62-F65 PolarHBondContact O-N 2.95Å; D63-F65 VanDerWaalsContact C-N 3.33Å; D63-F65 PolarHBondContact O-N 3.25Å; F65-I68 PolarHBondContact O-N 2.91Å; F65-N69 VanDerWaalsContact O-CB 3.24Å; F65-N69 WeakPolarHBondContact O-CB 3.36Å; F65-N69 PolarHBondContact O-N 2.89Å; F65-M119 HydrophobicContact CD2-SD 4.08Å; F65-M119 HydrophobicContact CE2-CB 4.31Å; F65-M119 HydrophobicContact CE2-SD 3.72Å; F65-V122 HydrophobicContact CB-CG1 4.25Å; F65-V122 HydrophobicContact CD2-CB 3.9Å; F65-V122 HydrophobicContact CD2-CG1 3.37Å; F65-V122 HydrophobicContact CE2-CB 3.93Å; F65-V122 HydrophobicContact CE2-CG1 3.84Å; F65-V122 HydrophobicContact CG-CG1 3.88Å; F65-Q123 VanDerWaalsContact CE1-OE1 3.23Å; F65-Q123 HydrophobicContact CZ-CB 4.15Å; F65-L126 HydrophobicContact CB-CD1 4.03Å; F65-L126 HydrophobicContact CD1-CD1 3.57Å; F65-L126 HydrophobicContact CE1-CD1 4.17Å; F65-L126 HydrophobicContact CG-CD1 3.81Å; F65-L156 HydrophobicContact CB-CD1 4.23Å; F65-L156 HydrophobicContact CD2-CD2 4.18Å
66	N	94.3	Very high	95	Very high	69 Å²	69	26.4 Å²	26.4	37%	0.369	15%	0.153	S	C	.	.	H	α-helix	trans	-63.2	-46.2	179.6	-69.3	-32.8	0	0	0	112	V62 D63 F64 N69 M70	V62-N66 PolarHBondContact O-N 3.32Å; V62-N66 PolarHBondContact O-ND2 2.92Å; D63-N66 PolarHBondContact O-N 3.11Å; D63-N66 VanDerWaalsContact O-N 3.13Å; F64-N66 VanDerWaalsContact C-N 3.34Å; F64-N66 PolarHBondContact O-N 3.35Å; N66-N69 PolarHBondContact O-N 3.29Å; N66-M70 WeakPolarHBondContact O-CG 3.44Å; N66-M70 PolarHBondContact O-N 3.46Å
67	Q	94.4	Very high	95	Very high	33 Å²	33	33 Å²	33	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-47.2	178.2	-70.7	178.8	28.1	0	0	112.1	D63 F64 N69 M70 L71 S183	D63-Q67 WeakPolarHBondContact O-CG 3.46Å; D63-Q67 PolarHBondContact O-N 3.4Å; D63-Q67 PolarHBondContact OD1-NE2 3.49Å; D63-Q67 PolarHBondContact OD2-NE2 3.32Å; F64-Q67 PolarHBondContact O-N 3.25Å; Q67-N69 VanDerWaalsContact C-N 3.33Å; Q67-N69 PolarHBondContact O-N 3.48Å; Q67-M70 PolarHBondContact O-N 3.25Å; Q67-L71 WeakPolarHBondContact O-CB 3.2Å; Q67-L71 VanDerWaalsContact O-CG 3.31Å; Q67-L71 WeakPolarHBondContact O-CG 3.04Å; Q67-L71 PolarHBondContact O-N 3.43Å; Q67-S183 PolarHBondContact OE1-OG 3.23Å
68	I	96.9	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-39	179.9	-64.3	165.1	0	0	0	110.6	F64 F65 M70 L71 Y72 M119 L156 V159 Y160	F64-I68 WeakPolarHBondContact O-CB 3.48Å; F64-I68 WeakPolarHBondContact O-CD1 3.49Å; F64-I68 WeakPolarHBondContact O-CG1 3.38Å; F64-I68 PolarHBondContact O-N 3.01Å; F65-I68 PolarHBondContact O-N 2.91Å; I68-M70 VanDerWaalsContact C-N 3.34Å; I68-L71 PolarHBondContact O-N 3.22Å; I68-Y72 WeakPolarHBondContact O-CB 3.32Å; I68-Y72 PolarHBondContact O-N 2.94Å; I68-M119 HydrophobicContact CG2-CE 3.74Å; I68-L156 HydrophobicContact CD1-CB 3.6Å; I68-L156 HydrophobicContact CD1-CD1 4.19Å; I68-L156 HydrophobicContact CD1-CD2 4.01Å; I68-L156 HydrophobicContact CD1-CG 4.13Å; I68-V159 HydrophobicContact CG2-CB 3.67Å; I68-V159 HydrophobicContact CG2-CG1 3.53Å; I68-V159 HydrophobicContact CG2-CG2 4.25Å; I68-Y160 HydrophobicContact CD1-CD2 3.96Å; I68-Y160 HydrophobicContact CD1-CE2 3.34Å; I68-Y160 HydrophobicContact CG1-CD2 4.23Å; I68-Y160 HydrophobicContact CG1-CE1 4.13Å; I68-Y160 HydrophobicContact CG1-CE2 3.5Å; I68-Y160 VanDerWaalsContact CG1-CE2 3.5Å; I68-Y160 VanDerWaalsContact CG1-CZ 3.42Å; I68-Y160 WeakPolarHBondContact CG1-OH 3.41Å
69	N	93.6	Very high	95.2	Very high	66 Å²	66	36.9 Å²	36.9	35%	0.353	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-41.8	177	-168.3	36.4	0	0	0	111.5	F65 N66 Q67 G73	F65-N69 VanDerWaalsContact O-CB 3.24Å; F65-N69 WeakPolarHBondContact O-CB 3.36Å; F65-N69 PolarHBondContact O-N 2.89Å; N66-N69 PolarHBondContact O-N 3.29Å; Q67-N69 VanDerWaalsContact C-N 3.33Å; Q67-N69 PolarHBondContact O-N 3.48Å; N69-G73 PolarHBondContact O-N 3.43Å
70	M	95.3	Very high	95.5	Very high	128 Å²	128	39.4 Å²	39.4	63%	0.631	22%	0.22	S	C	*	.	H	α-helix	trans	-64.1	-48.7	173.6	-70.1	-173.8	-64.7	0	0	111.8	N66 Q67 I68 Y72 G73 T74	N66-M70 WeakPolarHBondContact O-CG 3.44Å; N66-M70 PolarHBondContact O-N 3.46Å; Q67-M70 PolarHBondContact O-N 3.25Å; I68-M70 VanDerWaalsContact C-N 3.34Å; M70-Y72 VanDerWaalsContact C-N 3.32Å; M70-Y72 PolarHBondContact O-N 3.31Å; M70-G73 PolarHBondContact O-N 3.35Å; M70-G73 VanDerWaalsContact O-N 3.11Å; M70-T74 PolarHBondContact O-N 3.35Å
71	L	93.6	Very high	95.6	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-39.3	178	-74.8	168	0	0	0	112.7	Q67 I68 T74 Y160 H179 L180	Q67-L71 WeakPolarHBondContact O-CB 3.2Å; Q67-L71 VanDerWaalsContact O-CG 3.31Å; Q67-L71 WeakPolarHBondContact O-CG 3.04Å; Q67-L71 PolarHBondContact O-N 3.43Å; I68-L71 PolarHBondContact O-N 3.22Å; L71-T74 PolarHBondContact O-OG1 3.36Å; L71-Y160 HydrophobicContact CD1-CE1 3.99Å; L71-H179 HydrophobicContact CD2-CB 4.41Å; L71-L180 HydrophobicContact CD1-CD1 4.08Å; L71-L180 HydrophobicContact CD2-CB 4.33Å
72	Y	96.6	Very high	95.6	Very high	18 Å²	18	54 Å²	54	7%	0.071	29%	0.288	C	S	.	.	H	α-helix	trans	-73.1	-33.9	176.2	-175.1	-105.2	0	0	0	111.8	I68 M70 T74 I75 T76 C79 P112 I115 V159 I163	I68-Y72 WeakPolarHBondContact O-CB 3.32Å; I68-Y72 PolarHBondContact O-N 2.94Å; M70-Y72 VanDerWaalsContact C-N 3.32Å; M70-Y72 PolarHBondContact O-N 3.31Å; Y72-T74 PolarHBondContact O-N 3.05Å; Y72-I75 HydrophobicContact CD2-CD1 3.96Å; Y72-I75 HydrophobicContact CD2-CG1 4.05Å; Y72-I75 HydrophobicContact CE2-CD1 4.18Å; Y72-I75 HydrophobicContact CE2-CG1 4.42Å; Y72-I75 WeakPolarHBondContact O-CG1 3.38Å; Y72-I75 PolarHBondContact O-N 3.31Å; Y72-I75 VanDerWaalsContact O-N 3.11Å; Y72-T76 PolarHBondContact O-N 3.03Å; Y72-T76 VanDerWaalsContact O-N 3.13Å; Y72-C79 HydrophobicContact CE2-CB 4.15Å; Y72-C79 WeakPolarHBondContact OH-CB 3.45Å; Y72-C79 PolarHBondContact OH-SG 2.89Å; Y72-P112 WeakPolarHBondContact OH-CA 3.29Å; Y72-I115 HydrophobicContact CD1-CG2 3.69Å; Y72-I115 HydrophobicContact CD2-CD1 3.9Å; Y72-I115 HydrophobicContact CD2-CG2 4.38Å; Y72-I115 HydrophobicContact CE1-CB 4.21Å; Y72-I115 HydrophobicContact CE1-CD1 4.38Å; Y72-I115 HydrophobicContact CE1-CG2 3.59Å; Y72-I115 HydrophobicContact CE2-CD1 3.3Å; Y72-I115 HydrophobicContact CE2-CG2 4.3Å; Y72-I115 HydrophobicContact CG-CG2 4.09Å; Y72-V159 HydrophobicContact CD2-CG1 4.25Å; Y72-V159 HydrophobicContact CG-CG1 4.43Å; Y72-I163 HydrophobicContact CD2-CD1 4.44Å; Y72-I163 HydrophobicContact CD2-CG1 4.46Å
73	G	96.3	Very high	95.7	Very high	44 Å²	44	55.5 Å²	55.5	45%	0.454	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-30.8	177.1	0	0	0	0	0	113.7	N69 M70 I75	N69-G73 PolarHBondContact O-N 3.43Å; M70-G73 PolarHBondContact O-N 3.35Å; M70-G73 VanDerWaalsContact O-N 3.11Å; G73-I75 VanDerWaalsContact C-N 3.32Å
74	T	95.6	Very high	95.9	Very high	53 Å²	53	55 Å²	55	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-74.7	-24	178.9	65.7	0	0	0	0	112.7	M70 L71 Y72 L174 E176	M70-T74 PolarHBondContact O-N 3.35Å; L71-T74 PolarHBondContact O-OG1 3.36Å; Y72-T74 PolarHBondContact O-N 3.05Å; T74-L174 WeakPolarHBondContact O-CD1 3.33Å; T74-E176 WeakPolarHBondContact CB-OE2 3.39Å; T74-E176 VanDerWaalsContact CG2-OE1 3.27Å; T74-E176 WeakPolarHBondContact CG2-OE1 3.46Å; T74-E176 WeakPolarHBondContact CG2-OE2 3.45Å; T74-E176 PolarHBondContact OG1-OE2 2.97Å
75	I	93.8	Very high	96	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-108.5	3.9	-177.9	65.5	148.6	0	0	0	114.6	Y72 G73 D77 F78 C79 I163 H167 V171 L174	Y72-I75 HydrophobicContact CD2-CD1 3.96Å; Y72-I75 HydrophobicContact CD2-CG1 4.05Å; Y72-I75 HydrophobicContact CE2-CD1 4.18Å; Y72-I75 HydrophobicContact CE2-CG1 4.42Å; Y72-I75 WeakPolarHBondContact O-CG1 3.38Å; Y72-I75 PolarHBondContact O-N 3.31Å; Y72-I75 VanDerWaalsContact O-N 3.11Å; G73-I75 VanDerWaalsContact C-N 3.32Å; I75-D77 PolarHBondContact O-N 3.31Å; I75-D77 VanDerWaalsContact O-N 3.13Å; I75-F78 HydrophobicContact CB-CD2 4.16Å; I75-F78 PolarHBondContact O-N 3.09Å; I75-C79 PolarHBondContact O-N 2.65Å; I75-I163 HydrophobicContact CD1-CD1 4.44Å; I75-I163 HydrophobicContact CD1-CG1 3.76Å; I75-I163 HydrophobicContact CD1-CG2 4.37Å; I75-H167 HydrophobicContact CD1-CB 3.6Å; I75-V171 HydrophobicContact CG2-CG2 4Å; I75-L174 HydrophobicContact CG2-CD1 4.23Å
76	T	95	Very high	95.9	Very high	66 Å²	66	61.2 Å²	61.2	41%	0.405	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.4	-173.5	-168.5	0	0	0	0	113.5	Y72 F78 C79	Y72-T76 PolarHBondContact O-N 3.03Å; Y72-T76 VanDerWaalsContact O-N 3.13Å; T76-F78 VanDerWaalsContact C-N 3.25Å; T76-F78 PolarHBondContact O-N 3.05Å; T76-C79 PolarHBondContact O-N 2.89Å
77	D	93.8	Very high	96.1	Very high	140 Å²	140	58 Å²	58	75%	0.749	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.6	178.4	-69.7	-18.7	0	0	0	112.4	I75	I75-D77 PolarHBondContact O-N 3.31Å; I75-D77 VanDerWaalsContact O-N 3.13Å
78	F	96.3	Very high	96.1	Very high	81 Å²	81	57 Å²	57	36%	0.355	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-22	177.3	-49.4	-78.8	0	0	0	112.7	I75 T76 T80 S83 H167 S170 L174	I75-F78 HydrophobicContact CB-CD2 4.16Å; I75-F78 PolarHBondContact O-N 3.09Å; T76-F78 VanDerWaalsContact C-N 3.25Å; T76-F78 PolarHBondContact O-N 3.05Å; F78-T80 PolarHBondContact O-N 3.43Å; F78-S83 PolarHBondContact O-OG 3.19Å; F78-H167 PolarHBondContact O-CE1 3.33Å; F78-S170 WeakPolarHBondContact CG-OG 3.5Å; F78-L174 HydrophobicContact CE2-CD1 4.21Å
79	C	97.9	Very high	95.7	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.027	32%	0.317	C	S	.	.			trans	-93.7	89.3	178.1	-171.2	0	0	0	0	110.6	Y72 I75 T76 P112 H162 H167	Y72-C79 HydrophobicContact CE2-CB 4.15Å; Y72-C79 WeakPolarHBondContact OH-CB 3.45Å; Y72-C79 PolarHBondContact OH-SG 2.89Å; I75-C79 PolarHBondContact O-N 2.65Å; T76-C79 PolarHBondContact O-N 2.89Å; C79-P112 WeakPolarHBondContact O-CB 3.42Å; C79-H162 PolarHBondContact SG-NE2 2.89Å; C79-H167 WeakPolarHBondContact CB-NE2 3.31Å
80	T	97.8	Very high	95.1	Very high	55 Å²	55	54.3 Å²	54.3	34%	0.337	30%	0.304	S	S	.	.			trans	-112.7	167.9	-176.9	72.6	0	0	0	0	111	F78 E82 S83 C84	F78-T80 PolarHBondContact O-N 3.43Å; T80-E82 PolarHBondContact O-N 3.01Å; T80-E82 PolarHBondContact OG1-N 3.46Å; T80-S83 PolarHBondContact N-OG 3.37Å; T80-S83 PolarHBondContact O-N 3.15Å; T80-S83 PolarHBondContact O-OG 3.33Å; T80-S83 PolarHBondContact OG1-N 3.03Å; T80-S83 PolarHBondContact OG1-OG 3.22Å; T80-C84 WeakPolarHBondContact O-CA 3.26Å; T80-C84 PolarHBondContact O-N 2.98Å
81	E	97.6	Very high	94.5	Very high	125 Å²	125	55 Å²	55	58%	0.584	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	173.6	-57.5	-160.4	149.1	0	0	112.6	P85 S110 P112	E81-P85 VanDerWaalsContact O-CA 3.25Å; E81-P85 WeakPolarHBondContact O-CA 3.47Å; E81-S110 PolarHBondContact OE1-OG 2.91Å; E81-P112 HydrophobicContact CG-CG 4.31Å
82	E	97.1	Very high	94.1	Very high	183 Å²	183	62.5 Å²	62.5	86%	0.855	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-45.9	177.3	-63.1	-178.6	179.6	0	0	111.8	T80	T80-E82 PolarHBondContact O-N 3.01Å; T80-E82 PolarHBondContact OG1-N 3.46Å
83	S	96.5	Very high	93.9	Very high	59 Å²	59	66 Å²	66	41%	0.413	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.6	178.8	63.8	0	0	0	0	112	F78 T80	F78-S83 PolarHBondContact O-OG 3.19Å; T80-S83 PolarHBondContact N-OG 3.37Å; T80-S83 PolarHBondContact O-N 3.15Å; T80-S83 PolarHBondContact O-OG 3.33Å; T80-S83 PolarHBondContact OG1-N 3.03Å; T80-S83 PolarHBondContact OG1-OG 3.22Å
84	C	97.9	Very high	93.8	Very high	5 Å²	5	68 Å²	68	3%	0.034	36%	0.361	C	S	.	.			trans	-132.6	69.6	-175.9	-63	0	0	0	0	111.7	T80 V86 S110 A111 H167	T80-C84 WeakPolarHBondContact O-CA 3.26Å; T80-C84 PolarHBondContact O-N 2.98Å; C84-V86 PolarHBondContact O-N 2.68Å; C84-V86 VanDerWaalsContact O-N 3.13Å; C84-S110 WeakPolarHBondContact O-CA 3.2Å; C84-S110 WeakPolarHBondContact O-CB 3.46Å; C84-A111 HydrophobicContact CB-CB 3.53Å; C84-A111 PolarHBondContact O-N 3.19Å; C84-H167 PolarHBondContact SG-NE2 2.81Å; C84-H167 VanDerWaalsContact SG-NE2 3.44Å
85	P	97.7	Very high	93.8	Very high	84 Å²	84	66.6 Å²	66.6	55%	0.545	35%	0.35	S	S	.	.	S	Bend	trans	-67.6	-14.8	-176.6	28.6	-36.9	0	0	0	113.6	E81 S110	E81-P85 VanDerWaalsContact O-CA 3.25Å; E81-P85 WeakPolarHBondContact O-CA 3.47Å; P85-S110 VanDerWaalsContact O-CA 3.3Å; P85-S110 WeakPolarHBondContact O-CA 3.29Å; P85-S110 PolarHBondContact O-N 2.9Å
86	V	97	Very high	93.9	Very high	51 Å²	51	70.1 Å²	70.1	31%	0.309	37%	0.366	S	S	.	.	S	Bend	trans	-133.6	145.5	172.9	-64	0	0	0	0	110	C84 S88 E94 C109	C84-V86 PolarHBondContact O-N 2.68Å; C84-V86 VanDerWaalsContact O-N 3.13Å; V86-S88 PolarHBondContact O-N 2.85Å; V86-E94 HydrophobicContact CB-CG 4.4Å; V86-C109 WeakPolarHBondContact CA-O 3.31Å
87	M	97.8	Very high	94	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.348	C	S	.	.			trans	-71.8	112.9	169.7	-176.9	65.8	-179.4	0	0	110.1	Y95 C109 A111 Y114 I115 R158 H162	M87-Y95 HydrophobicContact CG-CD2 3.95Å; M87-Y95 HydrophobicContact CG-CG 4.39Å; M87-Y95 PolarHBondContact O-N 2.92Å; M87-C109 PolarHBondContact N-O 3.39Å; M87-A111 HydrophobicContact CB-CB 4.46Å; M87-A111 HydrophobicContact SD-CB 3.73Å; M87-Y114 HydrophobicContact CB-CD1 4.27Å; M87-Y114 HydrophobicContact CB-CD2 3.78Å; M87-Y114 HydrophobicContact CB-CG 3.65Å; M87-Y114 HydrophobicContact CE-CD1 3.91Å; M87-Y114 HydrophobicContact CE-CE1 4.17Å; M87-Y114 HydrophobicContact CG-CD1 3.52Å; M87-Y114 HydrophobicContact CG-CD2 3.82Å; M87-Y114 HydrophobicContact CG-CE1 4.01Å; M87-Y114 HydrophobicContact CG-CE2 4.27Å; M87-Y114 HydrophobicContact CG-CG 3.43Å; M87-Y114 VanDerWaalsContact CG-CG 3.43Å; M87-Y114 HydrophobicContact SD-CD1 3.87Å; M87-Y114 HydrophobicContact SD-CG 4.12Å; M87-I115 HydrophobicContact CE-CD1 4.15Å; M87-I115 HydrophobicContact CE-CG1 3.97Å; M87-I115 HydrophobicContact SD-CD1 4.13Å; M87-I115 HydrophobicContact SD-CG1 3.99Å; M87-R158 HydrophobicContact CE-CB 4.2Å; M87-R158 WeakPolarHBondContact CE-O 3.3Å; M87-H162 HydrophobicContact CE-CB 3.59Å; M87-H162 HydrophobicContact SD-CB 4.21Å
88	S	93.3	Very high	93.9	Very high	13 Å²	13	61.7 Å²	61.7	9%	0.091	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-136.3	161.3	-175.5	68.3	0	0	0	0	113	V86 Y93 H162	V86-S88 PolarHBondContact O-N 2.85Å; S88-Y93 CarbonylContact C-O 3.56Å; S88-Y93 WeakPolarHBondContact CA-O 3.18Å; S88-Y93 WeakPolarHBondContact CB-O 3.4Å; S88-H162 PolarHBondContact O-ND1 3Å
89	A	89.5	Confident	93.5	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.008	31%	0.312	C	S	.	.	S	Bend	trans	-126.9	81.5	164.6	0	0	0	0	0	108.4	Y93 Y95 A161 P204	A89-Y93 PolarHBondContact N-O 3.42Å; A89-Y93 WeakPolarHBondContact O-CD2 3.22Å; A89-Y95 HydrophobicContact CB-CE2 3.77Å; A89-A161 HydrophobicContact CB-CB 3.65Å; A89-P204 HydrophobicContact CB-CB 3.83Å; A89-P204 HydrophobicContact CB-CG 4.46Å
90	G	82	Confident	92.6	Very high	7 Å²	7	61.2 Å²	61.2	7%	0.072	33%	0.334	C	S	.	.	S	Bend	trans	71.8	-174.3	-171.6	0	0	0	0	0	112.6	K92 H165	G90-K92 PolarHBondContact O-N 3.14Å; G90-H165 VanDerWaalsContact N-CG 3.34Å
91	P	81.5	Confident	91.9	Very high	142 Å²	142	63.1 Å²	63.1	92%	0.922	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.9	-171.6	28.2	-35.4	0	0	0	114.2
92	K	85.6	Confident	91.2	Very high	181 Å²	181	63.9 Å²	63.9	79%	0.787	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-20.2	-173.3	-69.4	-178.3	180	175.8	0	114	G90	G90-K92 PolarHBondContact O-N 3.14Å
93	Y	91.2	Very high	90.6	Very high	90 Å²	90	57 Å²	57	35%	0.353	32%	0.322	S	S	.	.			trans	-128.7	118.3	-169.7	-56.5	-80.9	0	0	0	110.3	S88 A89 A203 P204	S88-Y93 CarbonylContact C-O 3.56Å; S88-Y93 WeakPolarHBondContact CA-O 3.18Å; S88-Y93 WeakPolarHBondContact CB-O 3.4Å; A89-Y93 PolarHBondContact N-O 3.42Å; A89-Y93 WeakPolarHBondContact O-CD2 3.22Å; Y93-A203 HydrophobicContact CE1-CB 4.46Å; Y93-A203 WeakPolarHBondContact OH-CB 3.4Å; Y93-P204 HydrophobicContact CD1-CG 3.97Å; Y93-P204 HydrophobicContact CD2-CB 3.78Å; Y93-P204 HydrophobicContact CD2-CG 3.76Å; Y93-P204 HydrophobicContact CE1-CG 4.12Å; Y93-P204 HydrophobicContact CE2-CB 3.94Å; Y93-P204 HydrophobicContact CE2-CG 3.92Å; Y93-P204 HydrophobicContact CG-CB 4.25Å; Y93-P204 HydrophobicContact CG-CG 3.77Å
94	E	95.9	Very high	90	Very high	86 Å²	86	62 Å²	62	40%	0.402	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-118.7	134.7	174.6	-174.4	-178.1	132.1	0	0	108.6	V86 H96 K108	V86-E94 HydrophobicContact CB-CG 4.4Å; E94-H96 IonicContact OE1-CD2 3.57Å; E94-H96 IonicContact OE1-CE1 3.76Å; E94-H96 IonicContact OE1-NE2 2.71Å; E94-H96 PolarHBondContact OE1-NE2 3.48Å; E94-K108 VanDerWaalsContact OE1-CE 3.32Å; E94-K108 WeakPolarHBondContact OE1-CE 3.45Å; E94-K108 IonicContact OE1-NZ 2.74Å; E94-K108 PolarHBondContact OE1-NZ 3.29Å; E94-K108 IonicContact OE2-NZ 3.78Å
95	Y	95.5	Very high	89.7	Confident	25 Å²	25	70 Å²	70	10%	0.098	37%	0.371	C	S	.	.			trans	-110.4	130.7	-178.6	-57.2	-73.3	0	0	0	111.1	M87 A89 R158 P204	M87-Y95 HydrophobicContact CG-CD2 3.95Å; M87-Y95 HydrophobicContact CG-CG 4.39Å; M87-Y95 PolarHBondContact O-N 2.92Å; A89-Y95 HydrophobicContact CB-CE2 3.77Å; Y95-R158 HydrophobicContact CD1-CG 4.09Å; Y95-R158 HydrophobicContact CD2-CB 4.4Å; Y95-R158 HydrophobicContact CE1-CG 3.78Å; Y95-R158 HydrophobicContact CE2-CB 4.16Å; Y95-R158 HydrophobicContact CE2-CG 4.24Å; Y95-R158 HydrophobicContact CG-CG 4.45Å; Y95-P204 WeakPolarHBondContact OH-CG 3.48Å
96	H	95.7	Very high	89.5	Confident	74 Å²	74	70.2 Å²	70.2	34%	0.343	37%	0.373	S	S	.	.			trans	-107	145.3	173	-58.8	162	0	0	0	110.2	E94 P106 I107	E94-H96 IonicContact OE1-CD2 3.57Å; E94-H96 IonicContact OE1-CE1 3.76Å; E94-H96 IonicContact OE1-NE2 2.71Å; E94-H96 PolarHBondContact OE1-NE2 3.48Å; H96-P106 HydrophobicContact CB-CB 3.7Å; H96-I107 WeakPolarHBondContact CA-O 3.37Å; H96-I107 WeakPolarHBondContact CB-O 3.41Å
97	W	96.7	Very high	89.4	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.015	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-91.9	133.5	-175.5	-180	-104.8	0	0	0	111.8	D99 P106 I107 Y114 Y117 L118 W121	W97-D99 HydrophobicContact CZ2-CB 4.1Å; W97-P106 CarbonylContact O-C 3.34Å; W97-P106 VanDerWaalsContact O-CA 3.29Å; W97-P106 WeakPolarHBondContact O-CA 3.43Å; W97-I107 HydrophobicContact CB-CG1 4.09Å; W97-I107 PolarHBondContact N-O 3.24Å; W97-I107 WeakPolarHBondContact O-CG1 3.25Å; W97-I107 PolarHBondContact O-N 2.97Å; W97-Y114 HydrophobicContact CB-CD2 3.84Å; W97-Y114 HydrophobicContact CB-CE2 3.93Å; W97-Y114 HydrophobicContact CE3-CD2 4.37Å; W97-Y114 HydrophobicContact CE3-CE1 4.28Å; W97-Y114 AromaticContact CE3-CE2 3.97Å; W97-Y114 HydrophobicContact CE3-CE2 3.97Å; W97-Y114 AromaticContact CE3-CZ 3.9Å; W97-Y117 HydrophobicContact CB-CD2 4.45Å; W97-Y117 AromaticContact CD1-CD2 3.64Å; W97-Y117 AromaticContact CD1-CG 3.95Å; W97-Y117 VanDerWaalsContact CE2-CB 3.49Å; W97-Y117 AromaticContact CG-CD2 3.94Å; W97-Y117 HydrophobicContact CG-CD2 3.94Å; W97-Y117 HydrophobicContact CG-CG 4.36Å; W97-Y117 WeakPolarHBondContact CZ2-O 3.32Å; W97-Y117 AromaticContact NE1-CG 3.86Å; W97-L118 HydrophobicContact CH2-CB 4.19Å; W97-L118 HydrophobicContact CZ3-CB 3.74Å; W97-L118 HydrophobicContact CZ3-CG 4.2Å; W97-W121 HydrophobicContact CH2-CB 3.75Å; W97-W121 HydrophobicContact CH2-CD2 4.44Å; W97-W121 HydrophobicContact CH2-CG 4.05Å; W97-W121 HydrophobicContact CZ2-CB 3.84Å; W97-W121 HydrophobicContact CZ2-CG 4.18Å
98	A	92.1	Very high	89.3	Confident	24 Å²	24	77.3 Å²	77.3	20%	0.198	40%	0.401	C	S	.	.			trans	-155.9	136.4	165.5	0	0	0	0	0	108.5	I103 P106 R155	A98-I103 WeakPolarHBondContact CA-O 3.47Å; A98-I103 WeakPolarHBondContact CB-O 3.5Å; A98-P106 HydrophobicContact CB-CG 4.27Å; A98-R155 PolarHBondContact O-NH2 3.47Å
99	D	86.4	Confident	89.4	Confident	27 Å²	27	77.4 Å²	77.4	14%	0.144	40%	0.402	C	S	.	.			trans	-102.5	-9	175	62.4	9.9	0	0	0	112.5	W97 T101 N102 I103	W97-D99 HydrophobicContact CZ2-CB 4.1Å; D99-T101 PolarHBondContact O-N 3.25Å; D99-T101 PolarHBondContact OD1-N 3.13Å; D99-T101 PolarHBondContact OD1-OG1 2.74Å; D99-T101 PolarHBondContact OD2-OG1 3.19Å; D99-N102 PolarHBondContact OD1-N 3.48Å; D99-N102 WeakPolarHBondContact OD2-CB 3.38Å; D99-N102 PolarHBondContact OD2-ND2 2.98Å; D99-N102 VanDerWaalsContact OD2-ND2 3.13Å; D99-I103 PolarHBondContact N-O 2.96Å; D99-I103 VanDerWaalsContact N-O 3.16Å; D99-I103 PolarHBondContact OD1-N 3.35Å
100	G	80.2	Confident	89.9	Confident	49 Å²	49	77.8 Å²	77.8	51%	0.505	41%	0.405	S	S	.	.	S	Bend	trans	77.2	-8.4	-179.1	0	0	0	0	0	114.3	I103	G100-I103 PolarHBondContact N-O 3.48Å; G100-I103 VanDerWaalsContact N-O 3.16Å
101	T	83.3	Confident	90.6	Very high	94 Å²	94	77.5 Å²	77.5	58%	0.577	40%	0.401	S	S	*	.	S	Bend	trans	-109.7	-71.9	180	51.5	0	0	0	0	110.2	D99	D99-T101 PolarHBondContact O-N 3.25Å; D99-T101 PolarHBondContact OD1-N 3.13Å; D99-T101 PolarHBondContact OD1-OG1 2.74Å; D99-T101 PolarHBondContact OD2-OG1 3.19Å
102	N	82.3	Confident	91.4	Very high	142 Å²	142	72 Å²	72	76%	0.759	37%	0.365	S	S	*	.	S	Bend	trans	-80.4	-39.7	179.9	-54.5	-55.8	0	0	0	111.3	D99	D99-N102 PolarHBondContact OD1-N 3.48Å; D99-N102 WeakPolarHBondContact OD2-CB 3.38Å; D99-N102 PolarHBondContact OD2-ND2 2.98Å; D99-N102 VanDerWaalsContact OD2-ND2 3.13Å
103	I	84.4	Confident	92	Very high	37 Å²	37	67.6 Å²	67.6	19%	0.19	35%	0.346	C	S	.	.			trans	-119.8	93	-178.7	-58.9	172.8	0	0	0	108	A98 D99 G100 K105 I107	A98-I103 WeakPolarHBondContact CA-O 3.47Å; A98-I103 WeakPolarHBondContact CB-O 3.5Å; D99-I103 PolarHBondContact N-O 2.96Å; D99-I103 VanDerWaalsContact N-O 3.16Å; D99-I103 PolarHBondContact OD1-N 3.35Å; G100-I103 PolarHBondContact N-O 3.48Å; G100-I103 VanDerWaalsContact N-O 3.16Å; I103-K105 VanDerWaalsContact CG2-O 3.28Å; I103-K105 WeakPolarHBondContact CG2-O 3.32Å; I103-I107 HydrophobicContact CD1-CD1 3.94Å; I103-I107 HydrophobicContact CG2-CD1 4.4Å; I103-I107 HydrophobicContact CG2-CG1 4.22Å; I103-I107 HydrophobicContact CG2-CG2 4.01Å
104	K	85.3	Confident	92.3	Very high	165 Å²	165	63.4 Å²	63.4	72%	0.717	33%	0.33	S	S	*	.			trans	-79.3	-31.6	-178.7	-65.8	-177	178.7	179.3	0	113.6
105	K	90.2	Very high	92.4	Very high	174 Å²	174	59.3 Å²	59.3	76%	0.757	31%	0.311	S	S	*	.	S	Bend	trans	-102.1	130.9	179	-70.7	-175	178.1	-179.3	0	109.2	I103 I107	I103-K105 VanDerWaalsContact CG2-O 3.28Å; I103-K105 WeakPolarHBondContact CG2-O 3.32Å; K105-I107 PolarHBondContact O-N 2.85Å
106	P	94	Very high	92.5	Very high	88 Å²	88	62.3 Å²	62.3	57%	0.571	33%	0.328	S	S	*	.			trans	-54.1	126.7	176.8	-26.5	34.9	0	0	0	112.1	H96 W97 A98	H96-P106 HydrophobicContact CB-CB 3.7Å; W97-P106 CarbonylContact O-C 3.34Å; W97-P106 VanDerWaalsContact O-CA 3.29Å; W97-P106 WeakPolarHBondContact O-CA 3.43Å; A98-P106 HydrophobicContact CB-CG 4.27Å
107	I	94.4	Very high	92.5	Very high	60 Å²	60	62.1 Å²	62.1	31%	0.308	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-107.7	142.2	176.8	63.5	170	0	0	0	110.7	H96 W97 I103 K105 Y117	H96-I107 WeakPolarHBondContact CA-O 3.37Å; H96-I107 WeakPolarHBondContact CB-O 3.41Å; W97-I107 HydrophobicContact CB-CG1 4.09Å; W97-I107 PolarHBondContact N-O 3.24Å; W97-I107 WeakPolarHBondContact O-CG1 3.25Å; W97-I107 PolarHBondContact O-N 2.97Å; I103-I107 HydrophobicContact CD1-CD1 3.94Å; I103-I107 HydrophobicContact CG2-CD1 4.4Å; I103-I107 HydrophobicContact CG2-CG1 4.22Å; I103-I107 HydrophobicContact CG2-CG2 4.01Å; K105-I107 PolarHBondContact O-N 2.85Å; I107-Y117 HydrophobicContact CD1-CE2 4.15Å
108	K	96.2	Very high	92.6	Very high	141 Å²	141	61.9 Å²	61.9	61%	0.613	32%	0.324	S	S	*	.			trans	-77.1	132.5	166.5	-69.9	-168.3	176.5	-132.6	0	109.1	E94	E94-K108 VanDerWaalsContact OE1-CE 3.32Å; E94-K108 WeakPolarHBondContact OE1-CE 3.45Å; E94-K108 IonicContact OE1-NZ 2.74Å; E94-K108 PolarHBondContact OE1-NZ 3.29Å; E94-K108 IonicContact OE2-NZ 3.78Å
109	C	95.9	Very high	92.7	Very high	14 Å²	14	61.6 Å²	61.6	10%	0.095	32%	0.319	C	S	.	.			trans	-149.9	162.2	173.3	51.7	0	0	0	0	110.4	V86 M87 K113	V86-C109 WeakPolarHBondContact CA-O 3.31Å; M87-C109 PolarHBondContact N-O 3.39Å; C109-K113 HydrophobicContact CB-CB 4.24Å; C109-K113 HydrophobicContact CB-CD 4.04Å; C109-K113 HydrophobicContact CB-CG 4.12Å
110	S	98.3	Very high	93.2	Very high	10 Å²	10	63.6 Å²	63.6	7%	0.07	33%	0.332	C	S	.	.			trans	-59.7	155.1	171.4	58.6	0	0	0	0	111.2	E81 C84 P85 K113 Y114	E81-S110 PolarHBondContact OE1-OG 2.91Å; C84-S110 WeakPolarHBondContact O-CA 3.2Å; C84-S110 WeakPolarHBondContact O-CB 3.46Å; P85-S110 VanDerWaalsContact O-CA 3.3Å; P85-S110 WeakPolarHBondContact O-CA 3.29Å; P85-S110 PolarHBondContact O-N 2.9Å; S110-K113 PolarHBondContact O-N 3.12Å; S110-K113 VanDerWaalsContact OG-CB 3.26Å; S110-K113 WeakPolarHBondContact OG-CB 3.41Å; S110-Y114 WeakPolarHBondContact O-CB 3.4Å; S110-Y114 PolarHBondContact O-N 3.42Å
111	A	98.3	Very high	94	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-47.8	177.4	0	0	0	0	0	113.8	C84 M87 K113 Y114 I115 H162	C84-A111 HydrophobicContact CB-CB 3.53Å; C84-A111 PolarHBondContact O-N 3.19Å; M87-A111 HydrophobicContact CB-CB 4.46Å; M87-A111 HydrophobicContact SD-CB 3.73Å; A111-K113 VanDerWaalsContact C-N 3.28Å; A111-K113 PolarHBondContact O-N 2.86Å; A111-Y114 WeakPolarHBondContact O-CB 3.12Å; A111-Y114 PolarHBondContact O-N 2.81Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 2.95Å; A111-H162 WeakPolarHBondContact CB-CE1 3.48Å; A111-H162 VanDerWaalsContact CB-NE2 3.35Å; A111-H162 WeakPolarHBondContact CB-NE2 3.25Å
112	P	98.1	Very high	94.6	Very high	26 Å²	26	58.1 Å²	58.1	17%	0.169	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-37.7	179.1	23.2	-34.1	0	0	0	112.4	Y72 C79 E81 I115 D116	Y72-P112 WeakPolarHBondContact OH-CA 3.29Å; C79-P112 WeakPolarHBondContact O-CB 3.42Å; E81-P112 HydrophobicContact CG-CG 4.31Å; P112-I115 PolarHBondContact O-N 2.88Å; P112-D116 WeakPolarHBondContact O-CB 3.39Å; P112-D116 PolarHBondContact O-N 3Å
113	K	97.6	Very high	95.2	Very high	90 Å²	90	54.3 Å²	54.3	39%	0.391	26%	0.263	S	S	.	.	H	α-helix	trans	-69.5	-38.6	176.8	-174.3	168.8	-175.1	171.8	0	112.7	C109 S110 A111 Y117	C109-K113 HydrophobicContact CB-CB 4.24Å; C109-K113 HydrophobicContact CB-CD 4.04Å; C109-K113 HydrophobicContact CB-CG 4.12Å; S110-K113 PolarHBondContact O-N 3.12Å; S110-K113 VanDerWaalsContact OG-CB 3.26Å; S110-K113 WeakPolarHBondContact OG-CB 3.41Å; A111-K113 VanDerWaalsContact C-N 3.28Å; A111-K113 PolarHBondContact O-N 2.86Å; K113-Y117 HydrophobicContact CD-CE2 4.27Å; K113-Y117 WeakPolarHBondContact CE-OH 3.49Å; K113-Y117 HydrophobicContact CG-CD2 4.2Å; K113-Y117 HydrophobicContact CG-CE2 3.66Å; K113-Y117 WeakPolarHBondContact O-CD2 3.37Å; K113-Y117 PolarHBondContact O-N 3.3Å; K113-Y117 VanDerWaalsContact O-N 3.12Å
114	Y	98.3	Very high	95.6	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-47.4	173.6	-175.8	-79.9	0	0	0	111.4	M87 W97 S110 A111 D116 Y117 L118 R158	M87-Y114 HydrophobicContact CB-CD1 4.27Å; M87-Y114 HydrophobicContact CB-CD2 3.78Å; M87-Y114 HydrophobicContact CB-CG 3.65Å; M87-Y114 HydrophobicContact CE-CD1 3.91Å; M87-Y114 HydrophobicContact CE-CE1 4.17Å; M87-Y114 HydrophobicContact CG-CD1 3.52Å; M87-Y114 HydrophobicContact CG-CD2 3.82Å; M87-Y114 HydrophobicContact CG-CE1 4.01Å; M87-Y114 HydrophobicContact CG-CE2 4.27Å; M87-Y114 HydrophobicContact CG-CG 3.43Å; M87-Y114 VanDerWaalsContact CG-CG 3.43Å; M87-Y114 HydrophobicContact SD-CD1 3.87Å; M87-Y114 HydrophobicContact SD-CG 4.12Å; W97-Y114 HydrophobicContact CB-CD2 3.84Å; W97-Y114 HydrophobicContact CB-CE2 3.93Å; W97-Y114 HydrophobicContact CE3-CD2 4.37Å; W97-Y114 HydrophobicContact CE3-CE1 4.28Å; W97-Y114 AromaticContact CE3-CE2 3.97Å; W97-Y114 HydrophobicContact CE3-CE2 3.97Å; W97-Y114 AromaticContact CE3-CZ 3.9Å; S110-Y114 WeakPolarHBondContact O-CB 3.4Å; S110-Y114 PolarHBondContact O-N 3.42Å; A111-Y114 WeakPolarHBondContact O-CB 3.12Å; A111-Y114 PolarHBondContact O-N 2.81Å; Y114-D116 VanDerWaalsContact C-N 3.35Å; Y114-Y117 PolarHBondContact O-N 3.37Å; Y114-L118 HydrophobicContact CD1-CD1 4.28Å; Y114-L118 HydrophobicContact CE1-CB 4.47Å; Y114-L118 HydrophobicContact CE1-CD1 3.65Å; Y114-L118 WeakPolarHBondContact O-CB 3.45Å; Y114-L118 PolarHBondContact O-N 3.19Å; Y114-R158 WeakPolarHBondContact OH-CD 3.41Å; Y114-R158 PolarHBondContact OH-NH1 2.9Å
115	I	98.1	Very high	96	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-38.7	-177.9	-65.8	170.2	0	0	0	110.2	Y72 M87 A111 P112 L118 M119 V159	Y72-I115 HydrophobicContact CD1-CG2 3.69Å; Y72-I115 HydrophobicContact CD2-CD1 3.9Å; Y72-I115 HydrophobicContact CD2-CG2 4.38Å; Y72-I115 HydrophobicContact CE1-CB 4.21Å; Y72-I115 HydrophobicContact CE1-CD1 4.38Å; Y72-I115 HydrophobicContact CE1-CG2 3.59Å; Y72-I115 HydrophobicContact CE2-CD1 3.3Å; Y72-I115 HydrophobicContact CE2-CG2 4.3Å; Y72-I115 HydrophobicContact CG-CG2 4.09Å; M87-I115 HydrophobicContact CE-CD1 4.15Å; M87-I115 HydrophobicContact CE-CG1 3.97Å; M87-I115 HydrophobicContact SD-CD1 4.13Å; M87-I115 HydrophobicContact SD-CG1 3.99Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 2.95Å; P112-I115 PolarHBondContact O-N 2.88Å; I115-L118 WeakPolarHBondContact O-CB 3.29Å; I115-L118 PolarHBondContact O-N 3.24Å; I115-M119 HydrophobicContact CG2-CE 4.08Å; I115-M119 HydrophobicContact CG2-CG 4.08Å; I115-M119 WeakPolarHBondContact O-CG 2.85Å; I115-M119 PolarHBondContact O-N 3.37Å; I115-V159 HydrophobicContact CD1-CG1 4.37Å; I115-V159 HydrophobicContact CG1-CG2 4.42Å; I115-V159 HydrophobicContact CG2-CG2 4.5Å
116	D	96.6	Very high	96.1	Very high	87 Å²	87	43.3 Å²	43.3	47%	0.465	22%	0.22	S	C	.	.	H	α-helix	trans	-58.2	-49.7	172.6	-180	62.1	0	0	0	112.5	P112 Y114 L118 M119 T120	P112-D116 WeakPolarHBondContact O-CB 3.39Å; P112-D116 PolarHBondContact O-N 3Å; Y114-D116 VanDerWaalsContact C-N 3.35Å; D116-L118 VanDerWaalsContact C-N 3.28Å; D116-L118 PolarHBondContact O-N 3.31Å; D116-M119 PolarHBondContact O-N 2.97Å; D116-T120 WeakPolarHBondContact O-CB 3.5Å; D116-T120 PolarHBondContact O-N 2.93Å; D116-T120 PolarHBondContact O-OG1 2.9Å
117	Y	96.6	Very high	96	Very high	70 Å²	70	42.3 Å²	42.3	28%	0.275	21%	0.21	S	C	.	.	H	α-helix	trans	-60.1	-39.9	174.3	-69.8	-40.6	0	0	0	112.5	W97 I107 K113 Y114 W121	W97-Y117 HydrophobicContact CB-CD2 4.45Å; W97-Y117 AromaticContact CD1-CD2 3.64Å; W97-Y117 AromaticContact CD1-CG 3.95Å; W97-Y117 VanDerWaalsContact CE2-CB 3.49Å; W97-Y117 AromaticContact CG-CD2 3.94Å; W97-Y117 HydrophobicContact CG-CD2 3.94Å; W97-Y117 HydrophobicContact CG-CG 4.36Å; W97-Y117 WeakPolarHBondContact CZ2-O 3.32Å; W97-Y117 AromaticContact NE1-CG 3.86Å; I107-Y117 HydrophobicContact CD1-CE2 4.15Å; K113-Y117 HydrophobicContact CD-CE2 4.27Å; K113-Y117 WeakPolarHBondContact CE-OH 3.49Å; K113-Y117 HydrophobicContact CG-CD2 4.2Å; K113-Y117 HydrophobicContact CG-CE2 3.66Å; K113-Y117 WeakPolarHBondContact O-CD2 3.37Å; K113-Y117 PolarHBondContact O-N 3.3Å; K113-Y117 VanDerWaalsContact O-N 3.12Å; Y114-Y117 PolarHBondContact O-N 3.37Å; Y117-W121 WeakPolarHBondContact O-CB 3.34Å; Y117-W121 PolarHBondContact O-N 2.86Å
118	L	97.3	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-51.3	178.9	-175	158.7	0	0	0	111.6	W97 Y114 I115 D116 T120 W121 V122 R155 L156 V159	W97-L118 HydrophobicContact CH2-CB 4.19Å; W97-L118 HydrophobicContact CZ3-CB 3.74Å; W97-L118 HydrophobicContact CZ3-CG 4.2Å; Y114-L118 HydrophobicContact CD1-CD1 4.28Å; Y114-L118 HydrophobicContact CE1-CB 4.47Å; Y114-L118 HydrophobicContact CE1-CD1 3.65Å; Y114-L118 WeakPolarHBondContact O-CB 3.45Å; Y114-L118 PolarHBondContact O-N 3.19Å; I115-L118 WeakPolarHBondContact O-CB 3.29Å; I115-L118 PolarHBondContact O-N 3.24Å; D116-L118 VanDerWaalsContact C-N 3.28Å; D116-L118 PolarHBondContact O-N 3.31Å; L118-T120 VanDerWaalsContact C-N 3.35Å; L118-W121 PolarHBondContact O-N 3.41Å; L118-V122 HydrophobicContact CD2-CG2 3.99Å; L118-V122 WeakPolarHBondContact O-CG2 3.32Å; L118-V122 PolarHBondContact O-N 3.38Å; L118-R155 HydrophobicContact CD1-CB 3.73Å; L118-R155 WeakPolarHBondContact CD1-O 3.33Å; L118-R155 HydrophobicContact CG-CB 4.03Å; L118-L156 HydrophobicContact CD2-CD2 4.04Å; L118-V159 HydrophobicContact CD1-CG2 4.08Å; L118-V159 HydrophobicContact CD2-CG2 4.16Å
119	M	96	Very high	95.4	Very high	17 Å²	17	38.4 Å²	38.4	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-41.7	-177.6	-66.3	-50.3	-174.6	0	0	111.1	F65 I68 I115 D116 V122 Q123 L156 V159	F65-M119 HydrophobicContact CD2-SD 4.08Å; F65-M119 HydrophobicContact CE2-CB 4.31Å; F65-M119 HydrophobicContact CE2-SD 3.72Å; I68-M119 HydrophobicContact CG2-CE 3.74Å; I115-M119 HydrophobicContact CG2-CE 4.08Å; I115-M119 HydrophobicContact CG2-CG 4.08Å; I115-M119 WeakPolarHBondContact O-CG 2.85Å; I115-M119 PolarHBondContact O-N 3.37Å; D116-M119 PolarHBondContact O-N 2.97Å; M119-V122 PolarHBondContact O-N 3.38Å; M119-Q123 WeakPolarHBondContact O-CB 3.37Å; M119-Q123 PolarHBondContact O-N 3.13Å; M119-L156 HydrophobicContact SD-CD2 4.42Å; M119-V159 HydrophobicContact CE-CG1 4.2Å; M119-V159 HydrophobicContact CE-CG2 4.01Å
120	T	95.7	Very high	95.1	Very high	69 Å²	69	41.1 Å²	41.1	42%	0.423	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-48.7	174.6	-58.5	0	0	0	0	110.8	D116 L118 V122 Q123 D124	D116-T120 WeakPolarHBondContact O-CB 3.5Å; D116-T120 PolarHBondContact O-N 2.93Å; D116-T120 PolarHBondContact O-OG1 2.9Å; L118-T120 VanDerWaalsContact C-N 3.35Å; T120-V122 PolarHBondContact O-N 3.25Å; T120-Q123 PolarHBondContact O-N 2.9Å; T120-D124 PolarHBondContact O-N 2.83Å
121	W	96.3	Very high	94.6	Very high	28 Å²	28	41.1 Å²	41.1	11%	0.106	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-43.7	178.8	176.7	83.3	0	0	0	112.3	W97 Y117 L118 D124 Q125 T151 I152	W97-W121 HydrophobicContact CH2-CB 3.75Å; W97-W121 HydrophobicContact CH2-CD2 4.44Å; W97-W121 HydrophobicContact CH2-CG 4.05Å; W97-W121 HydrophobicContact CZ2-CB 3.84Å; W97-W121 HydrophobicContact CZ2-CG 4.18Å; Y117-W121 WeakPolarHBondContact O-CB 3.34Å; Y117-W121 PolarHBondContact O-N 2.86Å; L118-W121 PolarHBondContact O-N 3.41Å; W121-D124 PolarHBondContact O-N 3.39Å; W121-Q125 HydrophobicContact CD2-CG 4.17Å; W121-Q125 HydrophobicContact CE3-CG 4.39Å; W121-Q125 HydrophobicContact CH2-CG 4Å; W121-Q125 HydrophobicContact CZ2-CG 3.75Å; W121-Q125 HydrophobicContact CZ3-CG 4.31Å; W121-Q125 WeakPolarHBondContact O-CG 3.35Å; W121-Q125 PolarHBondContact O-N 2.92Å; W121-Q125 VanDerWaalsContact O-N 3.15Å; W121-T151 HydrophobicContact CH2-CG2 3.74Å; W121-T151 HydrophobicContact CZ2-CG2 4.35Å; W121-I152 HydrophobicContact CH2-CG1 3.85Å; W121-I152 HydrophobicContact CZ3-CB 4.46Å; W121-I152 HydrophobicContact CZ3-CG1 3.68Å
122	V	96.2	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-45.8	177.2	174.7	0	0	0	0	110.1	F65 L118 M119 T120 D124 Q125 L126 I152 L156	F65-V122 HydrophobicContact CB-CG1 4.25Å; F65-V122 HydrophobicContact CD2-CB 3.9Å; F65-V122 HydrophobicContact CD2-CG1 3.37Å; F65-V122 HydrophobicContact CE2-CB 3.93Å; F65-V122 HydrophobicContact CE2-CG1 3.84Å; F65-V122 HydrophobicContact CG-CG1 3.88Å; L118-V122 HydrophobicContact CD2-CG2 3.99Å; L118-V122 WeakPolarHBondContact O-CG2 3.32Å; L118-V122 PolarHBondContact O-N 3.38Å; M119-V122 PolarHBondContact O-N 3.38Å; T120-V122 PolarHBondContact O-N 3.25Å; V122-D124 VanDerWaalsContact C-N 3.33Å; V122-D124 PolarHBondContact O-N 3.11Å; V122-Q125 WeakPolarHBondContact O-CB 3.37Å; V122-Q125 PolarHBondContact O-N 3.36Å; V122-L126 HydrophobicContact CG1-CD1 3.99Å; V122-L126 HydrophobicContact CG1-CG 4.13Å; V122-L126 WeakPolarHBondContact O-CG 3.21Å; V122-L126 PolarHBondContact O-N 3.13Å; V122-I152 HydrophobicContact CG1-CG2 3.7Å; V122-I152 HydrophobicContact CG2-CG2 4.02Å; V122-L156 HydrophobicContact CG2-CD2 4.39Å
123	Q	94.6	Very high	93.6	Very high	62 Å²	62	41 Å²	41	29%	0.29	21%	0.208	S	C	.	.	H	α-helix	trans	-56.4	-46.1	177.2	-174.1	67.4	62.4	0	0	111.7	F65 M119 T120 Q125 L126 D127	F65-Q123 VanDerWaalsContact CE1-OE1 3.23Å; F65-Q123 HydrophobicContact CZ-CB 4.15Å; M119-Q123 WeakPolarHBondContact O-CB 3.37Å; M119-Q123 PolarHBondContact O-N 3.13Å; T120-Q123 PolarHBondContact O-N 2.9Å; Q123-Q125 VanDerWaalsContact C-N 3.25Å; Q123-Q125 PolarHBondContact O-N 3.48Å; Q123-L126 PolarHBondContact O-N 2.68Å; Q123-L126 VanDerWaalsContact O-N 3.11Å; Q123-D127 PolarHBondContact NE2-OD1 3.31Å; Q123-D127 PolarHBondContact NE2-OD2 3.01Å; Q123-D127 WeakPolarHBondContact O-CB 3.2Å; Q123-D127 PolarHBondContact O-N 2.93Å
124	D	94.4	Very high	92.4	Very high	96 Å²	96	37.7 Å²	37.7	51%	0.513	20%	0.196	S	C	.	.	H	α-helix	trans	-58.7	-37.6	177.1	-70.9	-22.2	0	0	0	111.9	T120 W121 V122 D128	T120-D124 PolarHBondContact O-N 2.83Å; W121-D124 PolarHBondContact O-N 3.39Å; V122-D124 VanDerWaalsContact C-N 3.33Å; V122-D124 PolarHBondContact O-N 3.11Å; D124-D128 PolarHBondContact O-N 3.13Å
125	Q	93.7	Very high	90.7	Very high	40 Å²	40	44.9 Å²	44.9	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-40.1	175.6	-60.2	-49.1	140.5	0	0	112.7	W121 V122 Q123 D127 D128 F132 V148 I152	W121-Q125 HydrophobicContact CD2-CG 4.17Å; W121-Q125 HydrophobicContact CE3-CG 4.39Å; W121-Q125 HydrophobicContact CH2-CG 4Å; W121-Q125 HydrophobicContact CZ2-CG 3.75Å; W121-Q125 HydrophobicContact CZ3-CG 4.31Å; W121-Q125 WeakPolarHBondContact O-CG 3.35Å; W121-Q125 PolarHBondContact O-N 2.92Å; W121-Q125 VanDerWaalsContact O-N 3.15Å; V122-Q125 WeakPolarHBondContact O-CB 3.37Å; V122-Q125 PolarHBondContact O-N 3.36Å; Q123-Q125 VanDerWaalsContact C-N 3.25Å; Q123-Q125 PolarHBondContact O-N 3.48Å; Q125-D127 VanDerWaalsContact C-N 3.32Å; Q125-D128 PolarHBondContact O-N 3.29Å; Q125-F132 VanDerWaalsContact O-CD2 3.24Å; Q125-F132 WeakPolarHBondContact O-CD2 3.42Å; Q125-V148 HydrophobicContact CG-CG1 4.48Å; Q125-I152 HydrophobicContact CB-CD1 3.95Å; Q125-I152 HydrophobicContact CG-CD1 4.43Å
126	L	91.9	Very high	88.9	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-70.8	-30	178.7	-61.9	-178	0	0	0	111.9	K17 T61 V62 F65 V122 Q123 F132 I152	K17-L126 PolarHBondContact NZ-O 2.74Å; T61-L126 HydrophobicContact CG2-CD2 4.41Å; V62-L126 HydrophobicContact CG2-CD1 4.23Å; V62-L126 HydrophobicContact CG2-CD2 3.89Å; F65-L126 HydrophobicContact CB-CD1 4.03Å; F65-L126 HydrophobicContact CD1-CD1 3.57Å; F65-L126 HydrophobicContact CE1-CD1 4.17Å; F65-L126 HydrophobicContact CG-CD1 3.81Å; V122-L126 HydrophobicContact CG1-CD1 3.99Å; V122-L126 HydrophobicContact CG1-CG 4.13Å; V122-L126 WeakPolarHBondContact O-CG 3.21Å; V122-L126 PolarHBondContact O-N 3.13Å; Q123-L126 PolarHBondContact O-N 2.68Å; Q123-L126 VanDerWaalsContact O-N 3.11Å; L126-F132 HydrophobicContact CD2-CD1 3.88Å; L126-F132 HydrophobicContact CD2-CD2 4.13Å; L126-F132 HydrophobicContact CD2-CE1 3.49Å; L126-F132 VanDerWaalsContact CD2-CE1 3.49Å; L126-F132 HydrophobicContact CD2-CE2 3.79Å; L126-F132 HydrophobicContact CD2-CG 4.18Å; L126-F132 HydrophobicContact CD2-CZ 3.46Å; L126-F132 VanDerWaalsContact CD2-CZ 3.46Å; L126-I152 HydrophobicContact CD2-CD1 4.48Å
127	D	91	Very high	87.4	Confident	67 Å²	67	54.1 Å²	54.1	36%	0.358	27%	0.27	S	S	.	.	H	α-helix	trans	-76.8	-24.2	178.4	-74.9	-9.3	0	0	0	112.6	K17 Q123 Q125 E129	K17-D127 PolarHBondContact NZ-O 2.62Å; Q123-D127 PolarHBondContact NE2-OD1 3.31Å; Q123-D127 PolarHBondContact NE2-OD2 3.01Å; Q123-D127 WeakPolarHBondContact O-CB 3.2Å; Q123-D127 PolarHBondContact O-N 2.93Å; Q125-D127 VanDerWaalsContact C-N 3.32Å; D127-E129 PolarHBondContact O-N 2.87Å
128	D	90.8	Very high	86	Confident	53 Å²	53	54.7 Å²	54.7	28%	0.283	30%	0.297	S	S	.	.			trans	-66.6	98.6	175.5	-175.7	-4.3	0	0	0	111.5	D124 Q125 T130 L131 F132	D124-D128 PolarHBondContact O-N 3.13Å; Q125-D128 PolarHBondContact O-N 3.29Å; D128-T130 PolarHBondContact O-N 3.48Å; D128-T130 WeakPolarHBondContact OD1-CA 3.46Å; D128-T130 VanDerWaalsContact OD1-CB 3.23Å; D128-T130 WeakPolarHBondContact OD1-CB 3.24Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.46Å; D128-T130 PolarHBondContact OD1-N 3.35Å; D128-T130 PolarHBondContact OD1-OG1 3.48Å; D128-T130 PolarHBondContact OD2-OG1 2.97Å; D128-T130 VanDerWaalsContact OD2-OG1 3.14Å; D128-L131 HydrophobicContact CB-CB 4.29Å; D128-L131 HydrophobicContact CB-CD1 4.18Å; D128-L131 HydrophobicContact CB-CG 4.4Å; D128-L131 PolarHBondContact O-N 3.48Å; D128-L131 WeakPolarHBondContact OD2-CD1 3.43Å; D128-L131 WeakPolarHBondContact OD2-CG 3.36Å; D128-F132 PolarHBondContact O-N 2.94Å
129	E	88.3	Confident	85	Confident	65 Å²	65	57.7 Å²	57.7	30%	0.304	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.7	176.7	-62.9	-71.4	171.6	0	0	113.5	K17 D127 P133 S134 K135	K17-E129 WeakPolarHBondContact CE-OE1 3.32Å; K17-E129 IonicContact NZ-OE1 2.68Å; K17-E129 PolarHBondContact NZ-OE1 2.83Å; K17-E129 IonicContact NZ-OE2 3.79Å; D127-E129 PolarHBondContact O-N 2.87Å; E129-P133 WeakPolarHBondContact O-CA 3.44Å; E129-S134 VanDerWaalsContact CD-OG 3.3Å; E129-S134 PolarHBondContact OE1-OG 2.94Å; E129-S134 PolarHBondContact OE2-N 2.97Å; E129-S134 PolarHBondContact OE2-OG 2.87Å; E129-K135 WeakPolarHBondContact OE1-CE 3.35Å; E129-K135 IonicContact OE1-NZ 2.84Å
130	T	88.8	Confident	84.5	Confident	72 Å²	72	62 Å²	62	44%	0.442	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.8	176.3	78.3	0	0	0	0	112.6	D128 K142	D128-T130 PolarHBondContact O-N 3.48Å; D128-T130 WeakPolarHBondContact OD1-CA 3.46Å; D128-T130 VanDerWaalsContact OD1-CB 3.23Å; D128-T130 WeakPolarHBondContact OD1-CB 3.24Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.46Å; D128-T130 PolarHBondContact OD1-N 3.35Å; D128-T130 PolarHBondContact OD1-OG1 3.48Å; D128-T130 PolarHBondContact OD2-OG1 2.97Å; D128-T130 VanDerWaalsContact OD2-OG1 3.14Å; T130-K142 WeakPolarHBondContact O-CD 3.41Å; T130-K142 VanDerWaalsContact O-CG 3.22Å; T130-K142 WeakPolarHBondContact O-CG 3.37Å; T130-K142 WeakPolarHBondContact OG1-CE 3.32Å; T130-K142 PolarHBondContact OG1-NZ 3.21Å
131	L	89.1	Confident	84.1	Confident	9 Å²	9	60.3 Å²	60.3	5%	0.047	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-43	174.6	-70	172.7	0	0	0	111.5	D128 P133 F141 K142 F145 V148	D128-L131 HydrophobicContact CB-CB 4.29Å; D128-L131 HydrophobicContact CB-CD1 4.18Å; D128-L131 HydrophobicContact CB-CG 4.4Å; D128-L131 PolarHBondContact O-N 3.48Å; D128-L131 WeakPolarHBondContact OD2-CD1 3.43Å; D128-L131 WeakPolarHBondContact OD2-CG 3.36Å; L131-P133 WeakPolarHBondContact O-CD 3.48Å; L131-F141 WeakPolarHBondContact O-CD1 3.35Å; L131-K142 HydrophobicContact CD2-CD 3.9Å; L131-F145 WeakPolarHBondContact O-CD2 3.42Å; L131-V148 HydrophobicContact CD1-CG1 4.43Å; L131-V148 HydrophobicContact CD2-CG2 4.15Å
132	F	90.2	Very high	83.9	Confident	11 Å²	11	63.5 Å²	63.5	5%	0.048	35%	0.346	C	S	.	.	S	Bend	trans	-120.5	81	178.6	-73.9	-101.3	0	0	0	109.5	A58 T61 V62 Q125 L126 D128 S134 F145 I152	A58-F132 HydrophobicContact CB-CD1 3.85Å; A58-F132 HydrophobicContact CB-CE1 3.88Å; T61-F132 HydrophobicContact CG2-CZ 4.35Å; V62-F132 HydrophobicContact CG2-CD1 4.41Å; Q125-F132 VanDerWaalsContact O-CD2 3.24Å; Q125-F132 WeakPolarHBondContact O-CD2 3.42Å; L126-F132 HydrophobicContact CD2-CD1 3.88Å; L126-F132 HydrophobicContact CD2-CD2 4.13Å; L126-F132 HydrophobicContact CD2-CE1 3.49Å; L126-F132 VanDerWaalsContact CD2-CE1 3.49Å; L126-F132 HydrophobicContact CD2-CE2 3.79Å; L126-F132 HydrophobicContact CD2-CG 4.18Å; L126-F132 HydrophobicContact CD2-CZ 3.46Å; L126-F132 VanDerWaalsContact CD2-CZ 3.46Å; D128-F132 PolarHBondContact O-N 2.94Å; F132-S134 PolarHBondContact O-N 3.47Å; F132-F145 HydrophobicContact CD1-CE2 4.28Å; F132-F145 AromaticContact CE1-CE2 3.86Å; F132-F145 HydrophobicContact CE1-CE2 3.86Å; F132-F145 HydrophobicContact CE1-CZ 4.43Å; F132-F145 HydrophobicContact CE2-CE2 4.14Å; F132-F145 AromaticContact CZ-CE2 3.77Å; F132-F145 HydrophobicContact CZ-CE2 3.77Å; F132-I152 HydrophobicContact CE2-CD1 3.99Å; F132-I152 HydrophobicContact CZ-CD1 3.96Å
133	P	85.3	Confident	83.6	Confident	14 Å²	14	76 Å²	76	9%	0.091	39%	0.393	C	S	.	.			trans	-65.8	116.6	178.1	26.9	-32.5	0	0	0	109.7	Q25 E129 L131 V139 F141	Q25-P133 PolarHBondContact NE2-O 3.38Å; E129-P133 WeakPolarHBondContact O-CA 3.44Å; L131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-V139 HydrophobicContact CB-CB 4.24Å; P133-V139 HydrophobicContact CB-CG1 4.15Å; P133-F141 HydrophobicContact CG-CD1 4.33Å; P133-F141 HydrophobicContact CG-CE1 4.15Å; P133-F141 HydrophobicContact CG-CE2 4.47Å; P133-F141 HydrophobicContact CG-CZ 4.22Å
134	S	70.9	Confident	83.6	Confident	19 Å²	19	76.9 Å²	76.9	13%	0.133	40%	0.4	C	S	.	.			trans	-114.3	-10.3	-172.8	64.1	0	0	0	0	114.8	K17 E129 F132	K17-S134 WeakPolarHBondContact CE-OG 3.26Å; K17-S134 PolarHBondContact NZ-OG 3.27Å; E129-S134 VanDerWaalsContact CD-OG 3.3Å; E129-S134 PolarHBondContact OE1-OG 2.94Å; E129-S134 PolarHBondContact OE2-N 2.97Å; E129-S134 PolarHBondContact OE2-OG 2.87Å; F132-S134 PolarHBondContact O-N 3.47Å
135	K	64.3	Low	83.6	Confident	153 Å²	153	72.3 Å²	72.3	67%	0.665	38%	0.376	S	S	*	.	S	Bend	trans	-124.9	-12.6	-167.5	-64.2	178.7	-171.8	165.9	0	115.6	E129	E129-K135 WeakPolarHBondContact OE1-CE 3.35Å; E129-K135 IonicContact OE1-NZ 2.84Å
136	I	59.1	Low	83.7	Confident	118 Å²	118	72.7 Å²	72.7	61%	0.605	38%	0.378	S	S	*	.			trans	-130.7	103	-170.9	-50.2	176.3	0	0	0	107.8	G138 V139	I136-G138 PolarHBondContact O-N 2.95Å; I136-V139 HydrophobicContact CB-CG2 3.63Å; I136-V139 HydrophobicContact CD1-CG2 4.35Å; I136-V139 HydrophobicContact CG2-CG2 3.54Å; I136-V139 PolarHBondContact O-N 3.03Å
137	E	64.3	Low	83.9	Confident	164 Å²	164	75.9 Å²	75.9	77%	0.766	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	134.1	168.8	-73.2	179.4	175.4	0	0	109.8
138	G	67.6	Low	84.2	Confident	81 Å²	81	73.5 Å²	73.5	84%	0.835	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	1.8	178.1	0	0	0	0	0	116.1	I136 P140	I136-G138 PolarHBondContact O-N 2.95Å; G138-P140 WeakPolarHBondContact O-CD 3.45Å
139	V	77.8	Confident	84.5	Confident	64 Å²	64	71 Å²	71	39%	0.388	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-77.3	119.5	168.6	174.6	0	0	0	0	109.5	P133 I136	P133-V139 HydrophobicContact CB-CB 4.24Å; P133-V139 HydrophobicContact CB-CG1 4.15Å; I136-V139 HydrophobicContact CB-CG2 3.63Å; I136-V139 HydrophobicContact CD1-CG2 4.35Å; I136-V139 HydrophobicContact CG2-CG2 3.54Å; I136-V139 PolarHBondContact O-N 3.03Å
140	P	84	Confident	84.9	Confident	108 Å²	108	71.5 Å²	71.5	70%	0.701	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-72	143.8	-179.3	29.4	-34.4	0	0	0	111.2	G138	G138-P140 WeakPolarHBondContact O-CD 3.45Å
141	F	88.9	Confident	85.3	Confident	32 Å²	32	70 Å²	70	14%	0.14	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-58.2	147	168.7	-73.9	-91.2	0	0	0	111.4	N54 E55 A58 L131 P133 F145	N54-F141 HydrophobicContact CB-CB 4.09Å; N54-F141 HydrophobicContact CB-CD1 4.08Å; N54-F141 HydrophobicContact CB-CD2 3.43Å; N54-F141 VanDerWaalsContact CB-CD2 3.43Å; N54-F141 HydrophobicContact CB-CE1 4.38Å; N54-F141 HydrophobicContact CB-CE2 3.8Å; N54-F141 HydrophobicContact CB-CG 3.59Å; N54-F141 HydrophobicContact CB-CZ 4.26Å; E55-F141 HydrophobicContact CB-CE2 4Å; E55-F141 HydrophobicContact CB-CZ 4.34Å; A58-F141 HydrophobicContact CB-CE1 3.82Å; A58-F141 HydrophobicContact CB-CZ 3.82Å; L131-F141 WeakPolarHBondContact O-CD1 3.35Å; P133-F141 HydrophobicContact CG-CD1 4.33Å; P133-F141 HydrophobicContact CG-CE1 4.15Å; P133-F141 HydrophobicContact CG-CE2 4.47Å; P133-F141 HydrophobicContact CG-CZ 4.22Å; F141-F145 HydrophobicContact CB-CB 4.05Å; F141-F145 HydrophobicContact CB-CG 4.25Å; F141-F145 HydrophobicContact CD1-CB 4.19Å; F141-F145 HydrophobicContact CD1-CD1 4.06Å; F141-F145 AromaticContact CD1-CD2 3.4Å; F141-F145 HydrophobicContact CD1-CD2 3.4Å; F141-F145 HydrophobicContact CD1-CE1 4.33Å; F141-F145 AromaticContact CD1-CE2 3.7Å; F141-F145 HydrophobicContact CD1-CE2 3.7Å; F141-F145 AromaticContact CD1-CG 3.59Å; F141-F145 HydrophobicContact CD1-CG 3.59Å; F141-F145 HydrophobicContact CD1-CZ 4.16Å; F141-F145 AromaticContact CE1-CD2 3.83Å; F141-F145 HydrophobicContact CE1-CD2 3.83Å; F141-F145 HydrophobicContact CE1-CE1 4.42Å; F141-F145 AromaticContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CG 4.31Å; F141-F145 AromaticContact CE1-CZ 3.92Å; F141-F145 HydrophobicContact CE1-CZ 3.92Å; F141-F145 HydrophobicContact CG-CD1 4.49Å; F141-F145 HydrophobicContact CG-CD2 4.44Å; F141-F145 HydrophobicContact CG-CG 4.22Å
142	K	90.9	Very high	85.8	Confident	95 Å²	95	69.6 Å²	69.6	41%	0.413	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-60.8	148.5	170.9	-83.1	177.8	174.1	171.8	0	110.9	T130 L131 N144 F145	T130-K142 WeakPolarHBondContact O-CD 3.41Å; T130-K142 VanDerWaalsContact O-CG 3.22Å; T130-K142 WeakPolarHBondContact O-CG 3.37Å; T130-K142 WeakPolarHBondContact OG1-CE 3.32Å; T130-K142 PolarHBondContact OG1-NZ 3.21Å; L131-K142 HydrophobicContact CD2-CD 3.9Å; K142-N144 VanDerWaalsContact CB-OD1 3.28Å; K142-N144 WeakPolarHBondContact CB-OD1 3.48Å; K142-N144 PolarHBondContact O-N 2.75Å; K142-F145 WeakPolarHBondContact O-CB 3.37Å; K142-F145 PolarHBondContact O-N 3.03Å
143	R	90.2	Very high	86.1	Confident	262 Å²	262	69 Å²	69	99%	0.989	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.7	177.9	-66.3	-176.3	179.9	177.2	-0.2	114.1
144	N	93.6	Very high	86.7	Confident	81 Å²	81	71.4 Å²	71.4	43%	0.433	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	3.5	179.1	71.4	-40.4	0	0	0	113.9	K142 M146 S147 V148	K142-N144 VanDerWaalsContact CB-OD1 3.28Å; K142-N144 WeakPolarHBondContact CB-OD1 3.48Å; K142-N144 PolarHBondContact O-N 2.75Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-M146 PolarHBondContact O-N 3.44Å; N144-S147 WeakPolarHBondContact O-CB 3.34Å; N144-S147 PolarHBondContact O-N 2.9Å; N144-V148 PolarHBondContact O-N 3.29Å; N144-V148 VanDerWaalsContact O-N 3.14Å
145	F	95.3	Very high	88	Confident	1 Å²	1	71.7 Å²	71.7	0%	0.004	37%	0.37	C	S	.	.	H	α-helix	trans	-49.9	-52.1	-177	167	-98.2	0	0	0	112.1	N54 V57 A58 L131 F132 F141 K142 S147 V148 A149	N54-F145 HydrophobicContact CB-CD1 3.57Å; N54-F145 HydrophobicContact CB-CE1 3.6Å; N54-F145 HydrophobicContact CB-CG 4.46Å; N54-F145 HydrophobicContact CB-CZ 4.49Å; N54-F145 VanDerWaalsContact O-CE1 3.31Å; N54-F145 WeakPolarHBondContact O-CE1 3.33Å; N54-F145 VanDerWaalsContact O-CZ 3.31Å; N54-F145 WeakPolarHBondContact O-CZ 3.13Å; N54-F145 WeakPolarHBondContact OD1-CD1 3.42Å; V57-F145 HydrophobicContact CB-CE1 4.15Å; V57-F145 HydrophobicContact CB-CZ 4.41Å; V57-F145 HydrophobicContact CG1-CE1 3.98Å; V57-F145 HydrophobicContact CG1-CZ 4.11Å; A58-F145 HydrophobicContact CB-CE2 4.09Å; A58-F145 HydrophobicContact CB-CZ 3.75Å; L131-F145 WeakPolarHBondContact O-CD2 3.42Å; F132-F145 HydrophobicContact CD1-CE2 4.28Å; F132-F145 AromaticContact CE1-CE2 3.86Å; F132-F145 HydrophobicContact CE1-CE2 3.86Å; F132-F145 HydrophobicContact CE1-CZ 4.43Å; F132-F145 HydrophobicContact CE2-CE2 4.14Å; F132-F145 AromaticContact CZ-CE2 3.77Å; F132-F145 HydrophobicContact CZ-CE2 3.77Å; F141-F145 HydrophobicContact CB-CB 4.05Å; F141-F145 HydrophobicContact CB-CG 4.25Å; F141-F145 HydrophobicContact CD1-CB 4.19Å; F141-F145 HydrophobicContact CD1-CD1 4.06Å; F141-F145 AromaticContact CD1-CD2 3.4Å; F141-F145 HydrophobicContact CD1-CD2 3.4Å; F141-F145 HydrophobicContact CD1-CE1 4.33Å; F141-F145 AromaticContact CD1-CE2 3.7Å; F141-F145 HydrophobicContact CD1-CE2 3.7Å; F141-F145 AromaticContact CD1-CG 3.59Å; F141-F145 HydrophobicContact CD1-CG 3.59Å; F141-F145 HydrophobicContact CD1-CZ 4.16Å; F141-F145 AromaticContact CE1-CD2 3.83Å; F141-F145 HydrophobicContact CE1-CD2 3.83Å; F141-F145 HydrophobicContact CE1-CE1 4.42Å; F141-F145 AromaticContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CE2 3.59Å; F141-F145 HydrophobicContact CE1-CG 4.31Å; F141-F145 AromaticContact CE1-CZ 3.92Å; F141-F145 HydrophobicContact CE1-CZ 3.92Å; F141-F145 HydrophobicContact CG-CD1 4.49Å; F141-F145 HydrophobicContact CG-CD2 4.44Å; F141-F145 HydrophobicContact CG-CG 4.22Å; K142-F145 WeakPolarHBondContact O-CB 3.37Å; K142-F145 PolarHBondContact O-N 3.03Å; F145-S147 PolarHBondContact O-N 3.06Å; F145-V148 CarbonylContact O-C 3.58Å; F145-V148 WeakPolarHBondContact O-CA 3.35Å; F145-V148 WeakPolarHBondContact O-CB 3.36Å; F145-V148 PolarHBondContact O-N 3.15Å; F145-A149 HydrophobicContact CE1-CB 4.28Å; F145-A149 HydrophobicContact CZ-CB 4.18Å; F145-A149 PolarHBondContact O-N 2.92Å
146	M	96.3	Very high	89.7	Confident	47 Å²	47	64.4 Å²	64.4	23%	0.232	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-36.1	-178.2	-168.5	57.3	62.9	0	0	112.3	L53 V57 N144 V148 A149 K150 L196	L53-M146 HydrophobicContact CD2-CE 4.26Å; L53-M146 HydrophobicContact CG-CE 4.16Å; V57-M146 HydrophobicContact CB-CE 4.44Å; V57-M146 HydrophobicContact CG1-CE 4.49Å; V57-M146 HydrophobicContact CG1-SD 4.43Å; V57-M146 HydrophobicContact CG2-CE 4.13Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-M146 PolarHBondContact O-N 3.44Å; M146-V148 VanDerWaalsContact C-N 3.33Å; M146-V148 PolarHBondContact O-N 3.14Å; M146-A149 PolarHBondContact O-N 3.02Å; M146-K150 WeakPolarHBondContact O-CB 3.38Å; M146-K150 VanDerWaalsContact O-CG 3.24Å; M146-K150 WeakPolarHBondContact O-CG 3.38Å; M146-K150 PolarHBondContact O-N 2.85Å; M146-L196 HydrophobicContact SD-CD2 3.57Å; M146-L196 VanDerWaalsContact SD-CD2 3.57Å
147	S	96.4	Very high	91.5	Very high	77 Å²	77	58.9 Å²	58.9	54%	0.538	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-36.1	175	-174.6	0	0	0	0	112.4	N144 F145 T151	N144-S147 WeakPolarHBondContact O-CB 3.34Å; N144-S147 PolarHBondContact O-N 2.9Å; F145-S147 PolarHBondContact O-N 3.06Å; S147-T151 PolarHBondContact O-N 3.47Å; S147-T151 PolarHBondContact O-OG1 2.99Å
148	V	95.9	Very high	93.2	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-70.5	-48.2	176.3	-179.9	0	0	0	0	109.8	Q125 L131 N144 F145 M146 K150 T151 I152	Q125-V148 HydrophobicContact CG-CG1 4.48Å; L131-V148 HydrophobicContact CD1-CG1 4.43Å; L131-V148 HydrophobicContact CD2-CG2 4.15Å; N144-V148 PolarHBondContact O-N 3.29Å; N144-V148 VanDerWaalsContact O-N 3.14Å; F145-V148 CarbonylContact O-C 3.58Å; F145-V148 WeakPolarHBondContact O-CA 3.35Å; F145-V148 WeakPolarHBondContact O-CB 3.36Å; F145-V148 PolarHBondContact O-N 3.15Å; M146-V148 VanDerWaalsContact C-N 3.33Å; M146-V148 PolarHBondContact O-N 3.14Å; V148-K150 PolarHBondContact O-N 3.29Å; V148-T151 WeakPolarHBondContact O-CA 3.5Å; V148-T151 WeakPolarHBondContact O-CB 3.41Å; V148-T151 PolarHBondContact O-N 3.39Å; V148-I152 HydrophobicContact CG1-CD1 3.95Å; V148-I152 HydrophobicContact CG1-CG1 4.42Å; V148-I152 WeakPolarHBondContact O-CG1 3.31Å; V148-I152 PolarHBondContact O-N 3.3Å
149	A	97.3	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.6	-46.4	177.5	0	0	0	0	0	112.1	V57 F145 M146 T151 I152 L153	V57-A149 HydrophobicContact CG1-CB 3.7Å; F145-A149 HydrophobicContact CE1-CB 4.28Å; F145-A149 HydrophobicContact CZ-CB 4.18Å; F145-A149 PolarHBondContact O-N 2.92Å; M146-A149 PolarHBondContact O-N 3.02Å; A149-T151 VanDerWaalsContact C-N 3.26Å; A149-T151 PolarHBondContact O-N 3.37Å; A149-I152 PolarHBondContact O-N 2.64Å; A149-L153 WeakPolarHBondContact O-CG 3.42Å; A149-L153 PolarHBondContact O-N 3.38Å
150	K	97.8	Very high	95.6	Very high	76 Å²	76	45.8 Å²	45.8	33%	0.33	22%	0.221	S	C	.	.	H	α-helix	trans	-57.3	-38.7	173	-71.9	-170.7	-177.7	-153.3	0	112.7	M146 V148 K154 N195 L196	M146-K150 WeakPolarHBondContact O-CB 3.38Å; M146-K150 VanDerWaalsContact O-CG 3.24Å; M146-K150 WeakPolarHBondContact O-CG 3.38Å; M146-K150 PolarHBondContact O-N 2.85Å; V148-K150 PolarHBondContact O-N 3.29Å; K150-K154 WeakPolarHBondContact O-CB 3.2Å; K150-K154 PolarHBondContact O-N 2.98Å; K150-N195 WeakPolarHBondContact CE-O 3.44Å; K150-N195 PolarHBondContact NZ-O 3.2Å; K150-L196 WeakPolarHBondContact CB-O 3.44Å; K150-L196 HydrophobicContact CG-CB 4.32Å; K150-L196 HydrophobicContact CG-CD2 4.06Å; K150-L196 VanDerWaalsContact CG-O 3.3Å; K150-L196 WeakPolarHBondContact CG-O 3.42Å
151	T	97	Very high	96.2	Very high	41 Å²	41	40.7 Å²	40.7	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-69.2	-41.6	178.3	-57.6	0	0	0	0	111.7	W121 S147 V148 A149 R155	W121-T151 HydrophobicContact CH2-CG2 3.74Å; W121-T151 HydrophobicContact CZ2-CG2 4.35Å; S147-T151 PolarHBondContact O-N 3.47Å; S147-T151 PolarHBondContact O-OG1 2.99Å; V148-T151 WeakPolarHBondContact O-CA 3.5Å; V148-T151 WeakPolarHBondContact O-CB 3.41Å; V148-T151 PolarHBondContact O-N 3.39Å; A149-T151 VanDerWaalsContact C-N 3.26Å; A149-T151 PolarHBondContact O-N 3.37Å; T151-R155 WeakPolarHBondContact O-CG 3.28Å; T151-R155 PolarHBondContact O-N 2.97Å; T151-R155 VanDerWaalsContact O-N 3.12Å
152	I	97.9	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-56.6	174.9	-67.9	167	0	0	0	109.8	T61 W121 V122 Q125 L126 F132 V148 A149 K154 R155 L156	T61-I152 HydrophobicContact CG2-CB 4.24Å; T61-I152 HydrophobicContact CG2-CD1 4.39Å; T61-I152 HydrophobicContact CG2-CG2 3.58Å; W121-I152 HydrophobicContact CH2-CG1 3.85Å; W121-I152 HydrophobicContact CZ3-CB 4.46Å; W121-I152 HydrophobicContact CZ3-CG1 3.68Å; V122-I152 HydrophobicContact CG1-CG2 3.7Å; V122-I152 HydrophobicContact CG2-CG2 4.02Å; Q125-I152 HydrophobicContact CB-CD1 3.95Å; Q125-I152 HydrophobicContact CG-CD1 4.43Å; L126-I152 HydrophobicContact CD2-CD1 4.48Å; F132-I152 HydrophobicContact CE2-CD1 3.99Å; F132-I152 HydrophobicContact CZ-CD1 3.96Å; V148-I152 HydrophobicContact CG1-CD1 3.95Å; V148-I152 HydrophobicContact CG1-CG1 4.42Å; V148-I152 WeakPolarHBondContact O-CG1 3.31Å; V148-I152 PolarHBondContact O-N 3.3Å; A149-I152 PolarHBondContact O-N 2.64Å; I152-K154 VanDerWaalsContact C-N 3.33Å; I152-K154 PolarHBondContact O-N 2.91Å; I152-R155 WeakPolarHBondContact O-CA 3.31Å; I152-R155 WeakPolarHBondContact O-CB 3.46Å; I152-R155 PolarHBondContact O-N 3.05Å; I152-L156 HydrophobicContact CG2-CD1 3.74Å; I152-L156 HydrophobicContact CG2-CG 4.14Å; I152-L156 WeakPolarHBondContact O-CG 3.48Å; I152-L156 PolarHBondContact O-N 2.91Å
153	L	98.4	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-42.2	-177.1	-66.9	165.8	0	0	0	111.7	T61 F64 A149 R155 L156 F157 F187 V191 L196 I197	T61-L153 HydrophobicContact CG2-CD2 4.44Å; F64-L153 HydrophobicContact CD2-CD2 4.01Å; A149-L153 WeakPolarHBondContact O-CG 3.42Å; A149-L153 PolarHBondContact O-N 3.38Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.32Å; L153-L156 PolarHBondContact O-N 3.41Å; L153-F157 PolarHBondContact O-N 3.46Å; L153-F187 HydrophobicContact CB-CE2 4.42Å; L153-F187 HydrophobicContact CB-CZ 4.28Å; L153-F187 HydrophobicContact CD2-CD2 4.44Å; L153-F187 HydrophobicContact CD2-CE2 3.66Å; L153-F187 HydrophobicContact CD2-CZ 4.32Å; L153-F187 WeakPolarHBondContact O-CZ 3.16Å; L153-V191 HydrophobicContact CB-CG1 4.42Å; L153-V191 HydrophobicContact CD1-CG1 4.41Å; L153-L196 HydrophobicContact CD1-CB 3.86Å; L153-L196 HydrophobicContact CD1-CD1 3.38Å; L153-L196 HydrophobicContact CD1-CG 4.15Å; L153-I197 HydrophobicContact CB-CD1 4.21Å; L153-I197 HydrophobicContact CB-CG1 4.34Å
154	K	97.8	Very high	97.2	Very high	63 Å²	63	23.5 Å²	23.5	27%	0.274	12%	0.12	S	C	.	.	H	α-helix	trans	-57.6	-40	173.6	-179.1	-179.2	69	178.2	0	112.6	K150 I152 E201	K150-K154 WeakPolarHBondContact O-CB 3.2Å; K150-K154 PolarHBondContact O-N 2.98Å; I152-K154 VanDerWaalsContact C-N 3.33Å; I152-K154 PolarHBondContact O-N 2.91Å; K154-E201 HydrophobicContact CD-CG 3.92Å; K154-E201 HydrophobicContact CG-CB 4.48Å; K154-E201 HydrophobicContact CG-CG 4.3Å
155	R	97.9	Very high	97.1	Very high	25 Å²	25	23.4 Å²	23.4	9%	0.094	12%	0.116	C	C	.	.	H	α-helix	trans	-71	-46.4	177.8	-76.7	178.2	179.5	-168.3	-4.1	110.8	A98 L118 T151 I152 L153 F157 R158	A98-R155 PolarHBondContact O-NH2 3.47Å; L118-R155 HydrophobicContact CD1-CB 3.73Å; L118-R155 WeakPolarHBondContact CD1-O 3.33Å; L118-R155 HydrophobicContact CG-CB 4.03Å; T151-R155 WeakPolarHBondContact O-CG 3.28Å; T151-R155 PolarHBondContact O-N 2.97Å; T151-R155 VanDerWaalsContact O-N 3.12Å; I152-R155 WeakPolarHBondContact O-CA 3.31Å; I152-R155 WeakPolarHBondContact O-CB 3.46Å; I152-R155 PolarHBondContact O-N 3.05Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.32Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 3.46Å; R155-R158 VanDerWaalsContact O-CB 3.22Å; R155-R158 WeakPolarHBondContact O-CB 3.34Å; R155-R158 PolarHBondContact O-N 2.96Å
156	L	98.4	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55.2	-39.7	175.9	-72.5	-179.3	0	0	0	112.7	F64 F65 I68 L118 M119 V122 I152 L153 R158 V159 Y160 F187	F64-L156 HydrophobicContact CB-CD1 4.48Å; F65-L156 HydrophobicContact CB-CD1 4.23Å; F65-L156 HydrophobicContact CD2-CD2 4.18Å; I68-L156 HydrophobicContact CD1-CB 3.6Å; I68-L156 HydrophobicContact CD1-CD1 4.19Å; I68-L156 HydrophobicContact CD1-CD2 4.01Å; I68-L156 HydrophobicContact CD1-CG 4.13Å; L118-L156 HydrophobicContact CD2-CD2 4.04Å; M119-L156 HydrophobicContact SD-CD2 4.42Å; V122-L156 HydrophobicContact CG2-CD2 4.39Å; I152-L156 HydrophobicContact CG2-CD1 3.74Å; I152-L156 HydrophobicContact CG2-CG 4.14Å; I152-L156 WeakPolarHBondContact O-CG 3.48Å; I152-L156 PolarHBondContact O-N 2.91Å; L153-L156 PolarHBondContact O-N 3.41Å; L156-R158 PolarHBondContact O-N 3.45Å; L156-R158 VanDerWaalsContact O-N 3.16Å; L156-V159 WeakPolarHBondContact O-CB 3.2Å; L156-V159 PolarHBondContact O-N 3.48Å; L156-Y160 PolarHBondContact O-N 3.02Å; L156-F187 HydrophobicContact CB-CE2 4.32Å
157	F	98.6	Very high	97	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-54.1	-34.8	172.8	173.1	-97.4	0	0	0	113.4	L153 R155 V159 Y160 A161 F184 F187 I188 I197 E201 L202 P204 L205 I209	L153-F157 PolarHBondContact O-N 3.46Å; R155-F157 VanDerWaalsContact C-N 3.26Å; R155-F157 PolarHBondContact O-N 3.46Å; F157-V159 PolarHBondContact O-N 3.13Å; F157-Y160 PolarHBondContact O-N 2.93Å; F157-A161 HydrophobicContact CE1-CB 4.19Å; F157-A161 HydrophobicContact CZ-CB 4.43Å; F157-A161 WeakPolarHBondContact O-CB 3.36Å; F157-A161 PolarHBondContact O-N 3.35Å; F157-F184 HydrophobicContact CD2-CE2 4.15Å; F157-F184 AromaticContact CE2-CE2 3.96Å; F157-F184 HydrophobicContact CE2-CE2 3.96Å; F157-F184 HydrophobicContact CE2-CZ 4.2Å; F157-F187 HydrophobicContact CB-CE1 3.98Å; F157-F187 HydrophobicContact CB-CZ 4.09Å; F157-F187 HydrophobicContact CD2-CE1 4.17Å; F157-I188 HydrophobicContact CD2-CD1 4.42Å; F157-I188 HydrophobicContact CE2-CD1 4.32Å; F157-I197 HydrophobicContact CB-CD1 4.03Å; F157-E201 WeakPolarHBondContact CE1-O 3.43Å; F157-L202 HydrophobicContact CD1-CD2 4.46Å; F157-L202 HydrophobicContact CD2-CD2 3.67Å; F157-L202 HydrophobicContact CE1-CD2 4.39Å; F157-L202 HydrophobicContact CE2-CD2 3.57Å; F157-L202 HydrophobicContact CG-CD2 4.13Å; F157-L202 HydrophobicContact CZ-CB 4.47Å; F157-L202 HydrophobicContact CZ-CD2 3.96Å; F157-P204 HydrophobicContact CE1-CG 4.39Å; F157-L205 HydrophobicContact CE2-CB 4.24Å; F157-L205 HydrophobicContact CE2-CD1 3.88Å; F157-L205 HydrophobicContact CE2-CG 4.36Å; F157-L205 HydrophobicContact CZ-CB 4.01Å; F157-L205 HydrophobicContact CZ-CD1 4.04Å; F157-L205 HydrophobicContact CZ-CG 4.08Å; F157-I209 HydrophobicContact CE2-CD1 4.45Å
158	R	98.3	Very high	96.7	Very high	35 Å²	35	24.7 Å²	24.7	13%	0.132	11%	0.113	C	C	.	.	H	α-helix	trans	-65.8	-28.9	-179.9	-57.9	172.5	179.9	179.8	-8.6	112	M87 Y95 Y114 R155 L156 H162 E201	M87-R158 HydrophobicContact CE-CB 4.2Å; M87-R158 WeakPolarHBondContact CE-O 3.3Å; Y95-R158 HydrophobicContact CD1-CG 4.09Å; Y95-R158 HydrophobicContact CD2-CB 4.4Å; Y95-R158 HydrophobicContact CE1-CG 3.78Å; Y95-R158 HydrophobicContact CE2-CB 4.16Å; Y95-R158 HydrophobicContact CE2-CG 4.24Å; Y95-R158 HydrophobicContact CG-CG 4.45Å; Y114-R158 WeakPolarHBondContact OH-CD 3.41Å; Y114-R158 PolarHBondContact OH-NH1 2.9Å; R155-R158 VanDerWaalsContact O-CB 3.22Å; R155-R158 WeakPolarHBondContact O-CB 3.34Å; R155-R158 PolarHBondContact O-N 2.96Å; L156-R158 PolarHBondContact O-N 3.45Å; L156-R158 VanDerWaalsContact O-N 3.16Å; R158-H162 VanDerWaalsContact O-CB 3.32Å; R158-H162 WeakPolarHBondContact O-CB 3.41Å; R158-H162 PolarHBondContact O-N 2.94Å; R158-E201 IonicContact NH2-OE2 3.69Å
159	V	98.5	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.5	-47.7	175.4	-172.3	0	0	0	0	109.7	I68 Y72 I115 L118 M119 L156 F157 A161 H162 I163	I68-V159 HydrophobicContact CG2-CB 3.67Å; I68-V159 HydrophobicContact CG2-CG1 3.53Å; I68-V159 HydrophobicContact CG2-CG2 4.25Å; Y72-V159 HydrophobicContact CD2-CG1 4.25Å; Y72-V159 HydrophobicContact CG-CG1 4.43Å; I115-V159 HydrophobicContact CD1-CG1 4.37Å; I115-V159 HydrophobicContact CG1-CG2 4.42Å; I115-V159 HydrophobicContact CG2-CG2 4.5Å; L118-V159 HydrophobicContact CD1-CG2 4.08Å; L118-V159 HydrophobicContact CD2-CG2 4.16Å; M119-V159 HydrophobicContact CE-CG1 4.2Å; M119-V159 HydrophobicContact CE-CG2 4.01Å; L156-V159 WeakPolarHBondContact O-CB 3.2Å; L156-V159 PolarHBondContact O-N 3.48Å; F157-V159 PolarHBondContact O-N 3.13Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.3Å; V159-H162 PolarHBondContact O-N 3.34Å; V159-I163 HydrophobicContact CG1-CD1 3.96Å; V159-I163 HydrophobicContact CG1-CG1 4.45Å; V159-I163 VanDerWaalsContact O-CG1 3.25Å; V159-I163 WeakPolarHBondContact O-CG1 3.36Å; V159-I163 PolarHBondContact O-N 2.89Å
160	Y	98.3	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56	-48.3	171.5	-74.7	-65.5	0	0	0	111.9	I68 L71 L156 F157 H162 I163 Y164 L180 S183 F184 F187	I68-Y160 HydrophobicContact CD1-CD2 3.96Å; I68-Y160 HydrophobicContact CD1-CE2 3.34Å; I68-Y160 HydrophobicContact CG1-CD2 4.23Å; I68-Y160 HydrophobicContact CG1-CE1 4.13Å; I68-Y160 HydrophobicContact CG1-CE2 3.5Å; I68-Y160 VanDerWaalsContact CG1-CE2 3.5Å; I68-Y160 VanDerWaalsContact CG1-CZ 3.42Å; I68-Y160 WeakPolarHBondContact CG1-OH 3.41Å; L71-Y160 HydrophobicContact CD1-CE1 3.99Å; L156-Y160 PolarHBondContact O-N 3.02Å; F157-Y160 PolarHBondContact O-N 2.93Å; Y160-H162 VanDerWaalsContact C-N 3.27Å; Y160-H162 PolarHBondContact O-N 3.48Å; Y160-I163 PolarHBondContact O-N 3.31Å; Y160-Y164 VanDerWaalsContact O-CD2 3.29Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.31Å; Y160-Y164 PolarHBondContact O-N 3.37Å; Y160-L180 HydrophobicContact CD1-CD1 3.81Å; Y160-L180 HydrophobicContact CE1-CD1 4.03Å; Y160-S183 PolarHBondContact OH-OG 2.98Å; Y160-F184 HydrophobicContact CD1-CB 3.99Å; Y160-F184 AromaticContact CD1-CD2 3.85Å; Y160-F184 HydrophobicContact CD1-CD2 3.85Å; Y160-F184 HydrophobicContact CD1-CG 4.31Å; Y160-F184 AromaticContact CD2-CD2 3.81Å; Y160-F184 HydrophobicContact CD2-CD2 3.81Å; Y160-F184 HydrophobicContact CD2-CE2 4.4Å; Y160-F184 HydrophobicContact CE1-CB 3.91Å; Y160-F184 HydrophobicContact CE1-CD2 4.34Å; Y160-F184 HydrophobicContact CE2-CD2 4.26Å; Y160-F184 AromaticContact CG-CD2 3.58Å; Y160-F184 HydrophobicContact CG-CD2 3.58Å; Y160-F184 HydrophobicContact CG-CE2 4.23Å; Y160-F184 HydrophobicContact CG-CG 4.46Å; Y160-F187 HydrophobicContact CD2-CD1 4.38Å; Y160-F187 HydrophobicContact CD2-CG 4.41Å; Y160-F187 HydrophobicContact CE2-CB 3.97Å; Y160-F187 HydrophobicContact CE2-CD1 4.16Å; Y160-F187 AromaticContact CE2-CD2 3.93Å; Y160-F187 HydrophobicContact CE2-CD2 3.93Å; Y160-F187 HydrophobicContact CE2-CE2 4.48Å; Y160-F187 AromaticContact CE2-CG 3.75Å; Y160-F187 HydrophobicContact CE2-CG 3.75Å
161	A	96.8	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-41.1	179.6	0	0	0	0	0	112	A89 F157 V159 H165 P204 L205	A89-A161 HydrophobicContact CB-CB 3.65Å; F157-A161 HydrophobicContact CE1-CB 4.19Å; F157-A161 HydrophobicContact CZ-CB 4.43Å; F157-A161 WeakPolarHBondContact O-CB 3.36Å; F157-A161 PolarHBondContact O-N 3.35Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.3Å; A161-H165 WeakPolarHBondContact O-CB 3.35Å; A161-H165 PolarHBondContact O-CD2 3.31Å; A161-H165 VanDerWaalsContact O-CD2 3.22Å; A161-H165 PolarHBondContact O-N 2.96Å; A161-P204 HydrophobicContact CB-CB 4.37Å; A161-L205 HydrophobicContact CB-CD1 4.08Å; A161-L205 HydrophobicContact CB-CG 4.11Å
162	H	98.1	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-48.5	175.5	-177.8	65.9	0	0	0	112.2	C79 M87 S88 A111 R158 V159 Y160 Y164 H165 Q166 H167	C79-H162 PolarHBondContact SG-NE2 2.89Å; M87-H162 HydrophobicContact CE-CB 3.59Å; M87-H162 HydrophobicContact SD-CB 4.21Å; S88-H162 PolarHBondContact O-ND1 3Å; A111-H162 WeakPolarHBondContact CB-CE1 3.48Å; A111-H162 VanDerWaalsContact CB-NE2 3.35Å; A111-H162 WeakPolarHBondContact CB-NE2 3.25Å; R158-H162 VanDerWaalsContact O-CB 3.32Å; R158-H162 WeakPolarHBondContact O-CB 3.41Å; R158-H162 PolarHBondContact O-N 2.94Å; V159-H162 PolarHBondContact O-N 3.34Å; Y160-H162 VanDerWaalsContact C-N 3.27Å; Y160-H162 PolarHBondContact O-N 3.48Å; H162-Y164 PolarHBondContact O-N 3.11Å; H162-H165 PolarHBondContact O-N 3.02Å; H162-Q166 WeakPolarHBondContact O-CB 3.37Å; H162-Q166 PolarHBondContact O-N 2.8Å; H162-H167 AromaticContact CD2-CD2 3.89Å; H162-H167 AromaticContact CE1-NE2 3.99Å; H162-H167 AromaticContact NE2-CD2 3.56Å; H162-H167 AromaticContact NE2-NE2 3.29Å; H162-H167 PolarHBondContact NE2-NE2 3.4Å
163	I	97.1	Very high	94.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-56.3	-51.6	178.9	-66.4	170.7	0	0	0	110.7	Y72 I75 V159 Y160 H165 H167 F168 V171 L180	Y72-I163 HydrophobicContact CD2-CD1 4.44Å; Y72-I163 HydrophobicContact CD2-CG1 4.46Å; I75-I163 HydrophobicContact CD1-CD1 4.44Å; I75-I163 HydrophobicContact CD1-CG1 3.76Å; I75-I163 HydrophobicContact CD1-CG2 4.37Å; V159-I163 HydrophobicContact CG1-CD1 3.96Å; V159-I163 HydrophobicContact CG1-CG1 4.45Å; V159-I163 VanDerWaalsContact O-CG1 3.25Å; V159-I163 WeakPolarHBondContact O-CG1 3.36Å; V159-I163 PolarHBondContact O-N 2.89Å; Y160-I163 PolarHBondContact O-N 3.31Å; I163-H165 VanDerWaalsContact C-N 3.32Å; I163-H165 PolarHBondContact O-N 3.13Å; I163-H167 CarbonylContact O-C 3.55Å; I163-H167 WeakPolarHBondContact O-CA 3.44Å; I163-H167 PolarHBondContact O-N 3.31Å; I163-F168 PolarHBondContact O-N 3.28Å; I163-F168 VanDerWaalsContact O-N 3.09Å; I163-V171 HydrophobicContact CG2-CG2 3.83Å; I163-L180 HydrophobicContact CG2-CD1 4.11Å; I163-L180 HydrophobicContact CG2-CD2 3.76Å
164	Y	95.4	Very high	94.6	Very high	26 Å²	26	40 Å²	40	10%	0.102	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-35.3	-178.9	-85.5	-68.4	0	0	0	113.6	Y160 H162 F168 L180 N181 F184 L205 L208	Y160-Y164 VanDerWaalsContact O-CD2 3.29Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.31Å; Y160-Y164 PolarHBondContact O-N 3.37Å; H162-Y164 PolarHBondContact O-N 3.11Å; Y164-F168 AromaticContact CD1-CD2 3.75Å; Y164-F168 HydrophobicContact CD1-CD2 3.75Å; Y164-F168 HydrophobicContact CD1-CE2 4.02Å; Y164-F168 HydrophobicContact CE1-CD2 4.07Å; Y164-F168 AromaticContact CE1-CE2 3.89Å; Y164-F168 HydrophobicContact CE1-CE2 3.89Å; Y164-F168 WeakPolarHBondContact O-CB 3.38Å; Y164-L180 HydrophobicContact CD1-CD2 4.06Å; Y164-L180 HydrophobicContact CD2-CD2 4.48Å; Y164-L180 HydrophobicContact CE1-CD2 3.7Å; Y164-L180 HydrophobicContact CE1-CG 4.14Å; Y164-L180 HydrophobicContact CE2-CD1 4.22Å; Y164-L180 HydrophobicContact CE2-CD2 4.15Å; Y164-L180 HydrophobicContact CE2-CG 4.04Å; Y164-L180 HydrophobicContact CG-CD2 4.44Å; Y164-N181 WeakPolarHBondContact CE1-OD1 3.3Å; Y164-N181 WeakPolarHBondContact OH-CA 3.36Å; Y164-N181 PolarHBondContact OH-OD1 3.37Å; Y164-F184 HydrophobicContact CE2-CB 3.94Å; Y164-F184 AromaticContact CE2-CD1 3.72Å; Y164-F184 HydrophobicContact CE2-CD1 3.72Å; Y164-F184 HydrophobicContact CE2-CD2 4.16Å; Y164-F184 HydrophobicContact CE2-CE1 4.26Å; Y164-F184 AromaticContact CE2-CG 3.67Å; Y164-F184 HydrophobicContact CE2-CG 3.67Å; Y164-L205 HydrophobicContact CD2-CD1 3.9Å; Y164-L205 HydrophobicContact CD2-CD2 4.37Å; Y164-L205 HydrophobicContact CG-CD2 4.34Å; Y164-L208 HydrophobicContact CD1-CD2 3.67Å; Y164-L208 HydrophobicContact CD2-CD2 3.8Å; Y164-L208 HydrophobicContact CE1-CD2 3.55Å; Y164-L208 HydrophobicContact CE2-CD2 3.69Å; Y164-L208 HydrophobicContact CG-CD2 3.8Å
165	H	92.3	Very high	94.4	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.366	21%	0.212	S	C	.	.	H	α-helix	trans	-86.2	-29.4	-177.1	-85.7	-81.7	0	0	0	113.9	G90 A161 H162 I163 P204	G90-H165 VanDerWaalsContact N-CG 3.34Å; A161-H165 WeakPolarHBondContact O-CB 3.35Å; A161-H165 PolarHBondContact O-CD2 3.31Å; A161-H165 VanDerWaalsContact O-CD2 3.22Å; A161-H165 PolarHBondContact O-N 2.96Å; H162-H165 PolarHBondContact O-N 3.02Å; I163-H165 VanDerWaalsContact C-N 3.32Å; I163-H165 PolarHBondContact O-N 3.13Å; H165-P204 PolarHBondContact NE2-O 3.11Å
166	Q	92.9	Very high	94.1	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-117.1	-24.5	-169.3	-57.4	-60.8	-80.9	0	0	113.5	H162	H162-Q166 WeakPolarHBondContact O-CB 3.37Å; H162-Q166 PolarHBondContact O-N 2.8Å
167	H	95.4	Very high	93.6	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-130.6	13.2	-170.1	-61.1	-63	0	0	0	113.8	I75 F78 C79 C84 H162 I163 D169 S170 V171	I75-H167 HydrophobicContact CD1-CB 3.6Å; F78-H167 PolarHBondContact O-CE1 3.33Å; C79-H167 WeakPolarHBondContact CB-NE2 3.31Å; C84-H167 PolarHBondContact SG-NE2 2.81Å; C84-H167 VanDerWaalsContact SG-NE2 3.44Å; H162-H167 AromaticContact CD2-CD2 3.89Å; H162-H167 AromaticContact CE1-NE2 3.99Å; H162-H167 AromaticContact NE2-CD2 3.56Å; H162-H167 AromaticContact NE2-NE2 3.29Å; H162-H167 PolarHBondContact NE2-NE2 3.4Å; I163-H167 CarbonylContact O-C 3.55Å; I163-H167 WeakPolarHBondContact O-CA 3.44Å; I163-H167 PolarHBondContact O-N 3.31Å; H167-D169 VanDerWaalsContact C-N 3.25Å; H167-D169 PolarHBondContact O-N 3.4Å; H167-S170 WeakPolarHBondContact O-CB 3.4Å; H167-S170 PolarHBondContact O-N 2.65Å; H167-S170 VanDerWaalsContact O-N 3.09Å; H167-V171 WeakPolarHBondContact O-CG2 3.28Å; H167-V171 PolarHBondContact O-N 3.16Å
168	F	91.4	Very high	93.2	Very high	64 Å²	64	51.2 Å²	51.2	28%	0.281	25%	0.254	S	S	.	.	H	α-helix	trans	-61.9	-35	179.9	-167	-107.3	0	0	0	112.3	I163 Y164 S170 V171 M172 E177 L180	I163-F168 PolarHBondContact O-N 3.28Å; I163-F168 VanDerWaalsContact O-N 3.09Å; Y164-F168 AromaticContact CD1-CD2 3.75Å; Y164-F168 HydrophobicContact CD1-CD2 3.75Å; Y164-F168 HydrophobicContact CD1-CE2 4.02Å; Y164-F168 HydrophobicContact CE1-CD2 4.07Å; Y164-F168 AromaticContact CE1-CE2 3.89Å; Y164-F168 HydrophobicContact CE1-CE2 3.89Å; Y164-F168 WeakPolarHBondContact O-CB 3.38Å; F168-S170 VanDerWaalsContact C-N 3.34Å; F168-S170 PolarHBondContact O-N 3.45Å; F168-V171 WeakPolarHBondContact O-CB 2.95Å; F168-V171 PolarHBondContact O-N 2.57Å; F168-M172 HydrophobicContact CD1-CG 4.08Å; F168-M172 HydrophobicContact CD1-SD 3.79Å; F168-M172 HydrophobicContact CE1-CG 3.8Å; F168-M172 HydrophobicContact CE1-SD 3.48Å; F168-M172 WeakPolarHBondContact CE1-SD 3.46Å; F168-M172 HydrophobicContact CZ-CG 4.22Å; F168-M172 HydrophobicContact CZ-SD 4.38Å; F168-M172 WeakPolarHBondContact O-CG 3.2Å; F168-M172 PolarHBondContact O-N 3.5Å; F168-E177 HydrophobicContact CE2-CB 4.36Å; F168-E177 HydrophobicContact CZ-CB 4.33Å; F168-L180 HydrophobicContact CD2-CD2 4.24Å; F168-L180 HydrophobicContact CE2-CD2 4.41Å
169	D	89.1	Confident	92.8	Very high	122 Å²	122	55.5 Å²	55.5	65%	0.652	28%	0.276	S	S	*	.	H	α-helix	trans	-61.4	-42	174	-67.2	-20.7	0	0	0	111.8	H167 M172 Q173	H167-D169 VanDerWaalsContact C-N 3.25Å; H167-D169 PolarHBondContact O-N 3.4Å; D169-M172 PolarHBondContact O-N 3.27Å; D169-Q173 VanDerWaalsContact O-CG 3.29Å; D169-Q173 WeakPolarHBondContact O-CG 3.24Å; D169-Q173 PolarHBondContact O-N 2.7Å
170	S	93.4	Very high	92.5	Very high	16 Å²	16	55.6 Å²	55.6	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-42.5	174.5	-57	0	0	0	0	111.5	F78 H167 F168 M172 Q173 L174	F78-S170 WeakPolarHBondContact CG-OG 3.5Å; H167-S170 WeakPolarHBondContact O-CB 3.4Å; H167-S170 PolarHBondContact O-N 2.65Å; H167-S170 VanDerWaalsContact O-N 3.09Å; F168-S170 VanDerWaalsContact C-N 3.34Å; F168-S170 PolarHBondContact O-N 3.45Å; S170-M172 VanDerWaalsContact C-N 3.32Å; S170-M172 PolarHBondContact O-N 3.48Å; S170-Q173 WeakPolarHBondContact O-CB 3.36Å; S170-Q173 PolarHBondContact O-N 2.87Å; S170-L174 WeakPolarHBondContact O-CG 3.43Å; S170-L174 PolarHBondContact O-N 3.14Å
171	V	89	Confident	92.2	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-42.7	175.8	171.5	0	0	0	0	111.2	I75 I163 H167 F168 L174 Q175 E176 E177 L180	I75-V171 HydrophobicContact CG2-CG2 4Å; I163-V171 HydrophobicContact CG2-CG2 3.83Å; H167-V171 WeakPolarHBondContact O-CG2 3.28Å; H167-V171 PolarHBondContact O-N 3.16Å; F168-V171 WeakPolarHBondContact O-CB 2.95Å; F168-V171 PolarHBondContact O-N 2.57Å; V171-L174 PolarHBondContact O-N 2.87Å; V171-Q175 PolarHBondContact O-N 3Å; V171-Q175 VanDerWaalsContact O-N 3.15Å; V171-E176 HydrophobicContact CG1-CB 4.09Å; V171-E176 PolarHBondContact O-N 2.84Å; V171-E177 HydrophobicContact CG1-CB 4.17Å; V171-L180 HydrophobicContact CG1-CB 4.26Å; V171-L180 HydrophobicContact CG1-CD2 3.96Å; V171-L180 HydrophobicContact CG2-CD2 4.19Å
172	M	85.5	Confident	91.9	Very high	100 Å²	100	61.3 Å²	61.3	49%	0.493	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-38.6	175.6	-71.6	-177	66.7	0	0	112.5	F168 D169 S170 L174 Q175	F168-M172 HydrophobicContact CD1-CG 4.08Å; F168-M172 HydrophobicContact CD1-SD 3.79Å; F168-M172 HydrophobicContact CE1-CG 3.8Å; F168-M172 HydrophobicContact CE1-SD 3.48Å; F168-M172 WeakPolarHBondContact CE1-SD 3.46Å; F168-M172 HydrophobicContact CZ-CG 4.22Å; F168-M172 HydrophobicContact CZ-SD 4.38Å; F168-M172 WeakPolarHBondContact O-CG 3.2Å; F168-M172 PolarHBondContact O-N 3.5Å; D169-M172 PolarHBondContact O-N 3.27Å; S170-M172 VanDerWaalsContact C-N 3.32Å; S170-M172 PolarHBondContact O-N 3.48Å; M172-L174 VanDerWaalsContact C-N 3.27Å; M172-L174 PolarHBondContact O-N 3.11Å; M172-Q175 PolarHBondContact O-N 2.87Å; M172-Q175 VanDerWaalsContact O-N 3.14Å
173	Q	91.1	Very high	91.7	Very high	141 Å²	141	61.7 Å²	61.7	66%	0.659	31%	0.312	S	S	*	.	H	α-helix	trans	-63.8	-34.4	176.3	-73.9	171.8	15.4	0	0	112.2	D169 S170 Q175	D169-Q173 VanDerWaalsContact O-CG 3.29Å; D169-Q173 WeakPolarHBondContact O-CG 3.24Å; D169-Q173 PolarHBondContact O-N 2.7Å; S170-Q173 WeakPolarHBondContact O-CB 3.36Å; S170-Q173 PolarHBondContact O-N 2.87Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å
174	L	92.2	Very high	91.6	Very high	72 Å²	72	61.7 Å²	61.7	38%	0.377	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.1	176	-63.2	174	0	0	0	113.5	T74 I75 F78 S170 V171 M172 E176	T74-L174 WeakPolarHBondContact O-CD1 3.33Å; I75-L174 HydrophobicContact CG2-CD1 4.23Å; F78-L174 HydrophobicContact CE2-CD1 4.21Å; S170-L174 WeakPolarHBondContact O-CG 3.43Å; S170-L174 PolarHBondContact O-N 3.14Å; V171-L174 PolarHBondContact O-N 2.87Å; M172-L174 VanDerWaalsContact C-N 3.27Å; M172-L174 PolarHBondContact O-N 3.11Å; L174-E176 VanDerWaalsContact C-N 3.26Å; L174-E176 HydrophobicContact CB-CB 4.5Å; L174-E176 HydrophobicContact CB-CG 3.96Å; L174-E176 PolarHBondContact O-N 3.47Å
175	Q	92.6	Very high	91.5	Very high	156 Å²	156	62.2 Å²	62.2	73%	0.729	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	34.9	-175.5	-54.1	179.1	2	0	0	113	V171 M172 Q173 E177	V171-Q175 PolarHBondContact O-N 3Å; V171-Q175 VanDerWaalsContact O-N 3.15Å; M172-Q175 PolarHBondContact O-N 2.87Å; M172-Q175 VanDerWaalsContact O-N 3.14Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q175-E177 VanDerWaalsContact C-OE2 3.25Å; Q175-E177 WeakPolarHBondContact CA-OE2 3.24Å
176	E	91.4	Very high	91.6	Very high	45 Å²	45	58.6 Å²	58.6	21%	0.21	30%	0.298	C	S	.	.			trans	-103	3.3	-177	-68.9	-174.7	168.8	0	0	113.4	T74 V171 L174 A178 H179 L180	T74-E176 WeakPolarHBondContact CB-OE2 3.39Å; T74-E176 VanDerWaalsContact CG2-OE1 3.27Å; T74-E176 WeakPolarHBondContact CG2-OE1 3.46Å; T74-E176 WeakPolarHBondContact CG2-OE2 3.45Å; T74-E176 PolarHBondContact OG1-OE2 2.97Å; V171-E176 HydrophobicContact CG1-CB 4.09Å; V171-E176 PolarHBondContact O-N 2.84Å; L174-E176 VanDerWaalsContact C-N 3.26Å; L174-E176 HydrophobicContact CB-CB 4.5Å; L174-E176 HydrophobicContact CB-CG 3.96Å; L174-E176 PolarHBondContact O-N 3.47Å; E176-A178 VanDerWaalsContact C-N 3.25Å; E176-A178 PolarHBondContact O-N 2.88Å; E176-H179 WeakPolarHBondContact O-CB 3.41Å; E176-H179 PolarHBondContact O-N 2.97Å; E176-L180 PolarHBondContact O-N 2.84Å
177	E	89.2	Confident	91.8	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-33.4	-175.1	69.3	-78.5	-176.6	0	0	112.9	F168 V171 Q175 N181	F168-E177 HydrophobicContact CE2-CB 4.36Å; F168-E177 HydrophobicContact CZ-CB 4.33Å; V171-E177 HydrophobicContact CG1-CB 4.17Å; Q175-E177 VanDerWaalsContact C-OE2 3.25Å; Q175-E177 WeakPolarHBondContact CA-OE2 3.24Å; E177-N181 WeakPolarHBondContact O-CB 3.38Å; E177-N181 PolarHBondContact O-N 3.32Å; E177-N181 PolarHBondContact O-ND2 2.8Å
178	A	88.4	Confident	91.8	Very high	56 Å²	56	54.5 Å²	54.5	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-40.5	175.6	0	0	0	0	0	111.9	E176 T182	E176-A178 VanDerWaalsContact C-N 3.25Å; E176-A178 PolarHBondContact O-N 2.88Å; A178-T182 WeakPolarHBondContact O-CB 3.4Å; A178-T182 PolarHBondContact O-N 3.46Å; A178-T182 PolarHBondContact O-OG1 3.12Å
179	H	91.2	Very high	91.9	Very high	126 Å²	126	51.6 Å²	51.6	58%	0.583	27%	0.267	S	S	*	.	H	α-helix	trans	-67.6	-47.7	177.9	-59.6	98.2	0	0	0	110.7	L71 E176 N181 T182 S183	L71-H179 HydrophobicContact CD2-CB 4.41Å; E176-H179 WeakPolarHBondContact O-CB 3.41Å; E176-H179 PolarHBondContact O-N 2.97Å; H179-N181 PolarHBondContact O-N 3.41Å; H179-T182 PolarHBondContact O-N 3.23Å; H179-S183 VanDerWaalsContact O-CB 3.31Å; H179-S183 WeakPolarHBondContact O-CB 3.45Å; H179-S183 PolarHBondContact O-N 3.37Å
180	L	92.8	Very high	92.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-49.6	175.7	178	64.1	0	0	0	111.2	L71 Y160 I163 Y164 F168 V171 E176 T182 S183 F184	L71-L180 HydrophobicContact CD1-CD1 4.08Å; L71-L180 HydrophobicContact CD2-CB 4.33Å; Y160-L180 HydrophobicContact CD1-CD1 3.81Å; Y160-L180 HydrophobicContact CE1-CD1 4.03Å; I163-L180 HydrophobicContact CG2-CD1 4.11Å; I163-L180 HydrophobicContact CG2-CD2 3.76Å; Y164-L180 HydrophobicContact CD1-CD2 4.06Å; Y164-L180 HydrophobicContact CD2-CD2 4.48Å; Y164-L180 HydrophobicContact CE1-CD2 3.7Å; Y164-L180 HydrophobicContact CE1-CG 4.14Å; Y164-L180 HydrophobicContact CE2-CD1 4.22Å; Y164-L180 HydrophobicContact CE2-CD2 4.15Å; Y164-L180 HydrophobicContact CE2-CG 4.04Å; Y164-L180 HydrophobicContact CG-CD2 4.44Å; F168-L180 HydrophobicContact CD2-CD2 4.24Å; F168-L180 HydrophobicContact CE2-CD2 4.41Å; V171-L180 HydrophobicContact CG1-CB 4.26Å; V171-L180 HydrophobicContact CG1-CD2 3.96Å; V171-L180 HydrophobicContact CG2-CD2 4.19Å; E176-L180 PolarHBondContact O-N 2.84Å; L180-T182 PolarHBondContact O-N 3.06Å; L180-S183 PolarHBondContact O-N 3.3Å; L180-F184 VanDerWaalsContact O-CB 3.25Å; L180-F184 WeakPolarHBondContact O-CB 3.27Å; L180-F184 PolarHBondContact O-N 2.96Å
181	N	90.1	Very high	92.5	Very high	44 Å²	44	45.1 Å²	45.1	24%	0.235	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-40.2	-178.8	-72.7	-29.4	0	0	0	112.8	Y164 E177 H179 K185	Y164-N181 WeakPolarHBondContact CE1-OD1 3.3Å; Y164-N181 WeakPolarHBondContact OH-CA 3.36Å; Y164-N181 PolarHBondContact OH-OD1 3.37Å; E177-N181 WeakPolarHBondContact O-CB 3.38Å; E177-N181 PolarHBondContact O-N 3.32Å; E177-N181 PolarHBondContact O-ND2 2.8Å; H179-N181 PolarHBondContact O-N 3.41Å; N181-K185 WeakPolarHBondContact O-CB 3.29Å; N181-K185 PolarHBondContact O-N 2.86Å
182	T	91.2	Very high	92.7	Very high	76 Å²	76	48.9 Å²	48.9	47%	0.466	25%	0.248	S	C	.	.	H	α-helix	trans	-67.4	-47.3	179.1	-57.5	0	0	0	0	110.7	A178 H179 L180 K185 H186	A178-T182 WeakPolarHBondContact O-CB 3.4Å; A178-T182 PolarHBondContact O-N 3.46Å; A178-T182 PolarHBondContact O-OG1 3.12Å; H179-T182 PolarHBondContact O-N 3.23Å; L180-T182 PolarHBondContact O-N 3.06Å; T182-K185 PolarHBondContact O-N 3.07Å; T182-H186 WeakPolarHBondContact O-CB 3.48Å; T182-H186 PolarHBondContact O-N 3.31Å
183	S	94.7	Very high	93.2	Very high	8 Å²	8	49.1 Å²	49.1	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-47.3	176.6	-176.6	0	0	0	0	111.4	Q67 Y160 H179 L180 K185 H186 F187	Q67-S183 PolarHBondContact OE1-OG 3.23Å; Y160-S183 PolarHBondContact OH-OG 2.98Å; H179-S183 VanDerWaalsContact O-CB 3.31Å; H179-S183 WeakPolarHBondContact O-CB 3.45Å; H179-S183 PolarHBondContact O-N 3.37Å; L180-S183 PolarHBondContact O-N 3.3Å; S183-K185 PolarHBondContact O-N 3.09Å; S183-H186 PolarHBondContact O-N 3.13Å; S183-F187 WeakPolarHBondContact O-CB 3.4Å; S183-F187 PolarHBondContact O-N 3.21Å
184	F	95.3	Very high	93.5	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-40.4	177.9	-178.8	-116.3	0	0	0	112.7	F157 Y160 Y164 L180 F187 I188 L205 L208 I209 L212	F157-F184 HydrophobicContact CD2-CE2 4.15Å; F157-F184 AromaticContact CE2-CE2 3.96Å; F157-F184 HydrophobicContact CE2-CE2 3.96Å; F157-F184 HydrophobicContact CE2-CZ 4.2Å; Y160-F184 HydrophobicContact CD1-CB 3.99Å; Y160-F184 AromaticContact CD1-CD2 3.85Å; Y160-F184 HydrophobicContact CD1-CD2 3.85Å; Y160-F184 HydrophobicContact CD1-CG 4.31Å; Y160-F184 AromaticContact CD2-CD2 3.81Å; Y160-F184 HydrophobicContact CD2-CD2 3.81Å; Y160-F184 HydrophobicContact CD2-CE2 4.4Å; Y160-F184 HydrophobicContact CE1-CB 3.91Å; Y160-F184 HydrophobicContact CE1-CD2 4.34Å; Y160-F184 HydrophobicContact CE2-CD2 4.26Å; Y160-F184 AromaticContact CG-CD2 3.58Å; Y160-F184 HydrophobicContact CG-CD2 3.58Å; Y160-F184 HydrophobicContact CG-CE2 4.23Å; Y160-F184 HydrophobicContact CG-CG 4.46Å; Y164-F184 HydrophobicContact CE2-CB 3.94Å; Y164-F184 AromaticContact CE2-CD1 3.72Å; Y164-F184 HydrophobicContact CE2-CD1 3.72Å; Y164-F184 HydrophobicContact CE2-CD2 4.16Å; Y164-F184 HydrophobicContact CE2-CE1 4.26Å; Y164-F184 AromaticContact CE2-CG 3.67Å; Y164-F184 HydrophobicContact CE2-CG 3.67Å; L180-F184 VanDerWaalsContact O-CB 3.25Å; L180-F184 WeakPolarHBondContact O-CB 3.27Å; L180-F184 PolarHBondContact O-N 2.96Å; F184-F187 WeakPolarHBondContact O-CB 3.45Å; F184-F187 PolarHBondContact O-N 3.19Å; F184-I188 HydrophobicContact CD1-CG1 4.32Å; F184-I188 HydrophobicContact CD2-CG1 4.05Å; F184-I188 HydrophobicContact CE1-CG1 3.89Å; F184-I188 HydrophobicContact CE2-CD1 3.75Å; F184-I188 HydrophobicContact CE2-CG1 3.61Å; F184-I188 HydrophobicContact CG-CG1 4.39Å; F184-I188 HydrophobicContact CZ-CD1 3.74Å; F184-I188 HydrophobicContact CZ-CG1 3.51Å; F184-I188 WeakPolarHBondContact O-CB 3.22Å; F184-I188 VanDerWaalsContact O-CG1 3.29Å; F184-I188 WeakPolarHBondContact O-CG1 3.2Å; F184-I188 PolarHBondContact O-N 3.21Å; F184-L205 HydrophobicContact CE1-CD1 4.2Å; F184-L205 HydrophobicContact CE2-CD1 3.63Å; F184-L205 HydrophobicContact CZ-CB 4.08Å; F184-L205 HydrophobicContact CZ-CD1 3.42Å; F184-L205 VanDerWaalsContact CZ-CD1 3.42Å; F184-L205 HydrophobicContact CZ-CG 4.42Å; F184-L208 HydrophobicContact CD1-CD2 4.08Å; F184-L208 HydrophobicContact CE1-CD2 3.74Å; F184-L208 HydrophobicContact CE1-CG 4.06Å; F184-I209 HydrophobicContact CE1-CG1 4.05Å; F184-I209 HydrophobicContact CZ-CD1 4.35Å; F184-I209 HydrophobicContact CZ-CG1 3.81Å; F184-L212 HydrophobicContact CD1-CD1 3.64Å; F184-L212 HydrophobicContact CE1-CD1 4.07Å
185	K	92.6	Very high	93.7	Very high	38 Å²	38	45.6 Å²	45.6	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-44	176.8	-175.9	175.6	174.6	-171.6	0	111.4	L41 N181 T182 S183 I188 F189 L212 D216	L41-K185 HydrophobicContact CD1-CB 4.17Å; L41-K185 HydrophobicContact CD1-CD 3.76Å; L41-K185 HydrophobicContact CD1-CG 3.8Å; N181-K185 WeakPolarHBondContact O-CB 3.29Å; N181-K185 PolarHBondContact O-N 2.86Å; T182-K185 PolarHBondContact O-N 3.07Å; S183-K185 PolarHBondContact O-N 3.09Å; K185-I188 PolarHBondContact O-N 3.08Å; K185-F189 HydrophobicContact CD-CE2 4.3Å; K185-F189 VanDerWaalsContact CE-CE2 3.44Å; K185-F189 HydrophobicContact CG-CD2 4.21Å; K185-F189 HydrophobicContact CG-CE2 3.83Å; K185-F189 HydrophobicContact CG-CZ 4.3Å; K185-F189 PolarHBondContact O-N 3.3Å; K185-L212 WeakPolarHBondContact CE-O 3.42Å; K185-D216 WeakPolarHBondContact CE-OD2 3.06Å; K185-D216 IonicContact NZ-OD1 3.57Å; K185-D216 PolarHBondContact NZ-OD1 3.18Å; K185-D216 IonicContact NZ-OD2 3.92Å; K185-D216 PolarHBondContact NZ-OD2 3.04Å
186	H	93.9	Very high	93.9	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-49.6	173.9	179.5	-151.8	0	0	0	111.1	L36 V45 F64 T182 S183 I188 F189 F190	L36-H186 HydrophobicContact CD2-CB 4.38Å; V45-H186 VanDerWaalsContact CG1-CD2 3.4Å; V45-H186 WeakPolarHBondContact CG1-CD2 3.44Å; F64-H186 HydrophobicContact CE1-CB 4.3Å; F64-H186 AromaticContact CE1-CE1 3.75Å; F64-H186 AromaticContact CE1-CG 3.77Å; F64-H186 AromaticContact CE1-ND1 3.45Å; F64-H186 WeakPolarHBondContact CE1-ND1 3.41Å; F64-H186 AromaticContact CZ-CE1 3.74Å; F64-H186 AromaticContact CZ-ND1 3.86Å; F64-H186 AromaticContact CZ-NE2 3.85Å; T182-H186 WeakPolarHBondContact O-CB 3.48Å; T182-H186 PolarHBondContact O-N 3.31Å; S183-H186 PolarHBondContact O-N 3.13Å; H186-I188 VanDerWaalsContact C-N 3.33Å; H186-I188 PolarHBondContact O-N 3.33Å; H186-F189 PolarHBondContact O-N 3.25Å; H186-F190 WeakPolarHBondContact O-CB 3.23Å; H186-F190 PolarHBondContact O-N 2.89Å
187	F	96.8	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.5	-47.4	175.8	179.9	-88.4	0	0	0	112.2	F64 L153 L156 F157 Y160 S183 F184 F190 V191 I197	F64-F187 HydrophobicContact CB-CD2 4.04Å; F64-F187 HydrophobicContact CB-CE2 4.44Å; F64-F187 HydrophobicContact CD1-CB 3.96Å; F64-F187 AromaticContact CD1-CD2 3.8Å; F64-F187 HydrophobicContact CD1-CD2 3.8Å; F64-F187 HydrophobicContact CD1-CG 4.4Å; F64-F187 AromaticContact CD2-CD2 3.93Å; F64-F187 HydrophobicContact CD2-CD2 3.93Å; F64-F187 HydrophobicContact CD2-CE2 4.47Å; F64-F187 VanDerWaalsContact CE1-CA 3.4Å; F64-F187 HydrophobicContact CE1-CB 3.8Å; F64-F187 HydrophobicContact CE1-CD2 4.27Å; F64-F187 HydrophobicContact CE2-CD2 4.39Å; F64-F187 AromaticContact CG-CD2 3.65Å; F64-F187 HydrophobicContact CG-CD2 3.65Å; F64-F187 HydrophobicContact CG-CE2 4.38Å; F64-F187 HydrophobicContact CZ-CB 4.34Å; L153-F187 HydrophobicContact CB-CE2 4.42Å; L153-F187 HydrophobicContact CB-CZ 4.28Å; L153-F187 HydrophobicContact CD2-CD2 4.44Å; L153-F187 HydrophobicContact CD2-CE2 3.66Å; L153-F187 HydrophobicContact CD2-CZ 4.32Å; L153-F187 WeakPolarHBondContact O-CZ 3.16Å; L156-F187 HydrophobicContact CB-CE2 4.32Å; F157-F187 HydrophobicContact CB-CE1 3.98Å; F157-F187 HydrophobicContact CB-CZ 4.09Å; F157-F187 HydrophobicContact CD2-CE1 4.17Å; Y160-F187 HydrophobicContact CD2-CD1 4.38Å; Y160-F187 HydrophobicContact CD2-CG 4.41Å; Y160-F187 HydrophobicContact CE2-CB 3.97Å; Y160-F187 HydrophobicContact CE2-CD1 4.16Å; Y160-F187 AromaticContact CE2-CD2 3.93Å; Y160-F187 HydrophobicContact CE2-CD2 3.93Å; Y160-F187 HydrophobicContact CE2-CE2 4.48Å; Y160-F187 AromaticContact CE2-CG 3.75Å; Y160-F187 HydrophobicContact CE2-CG 3.75Å; S183-F187 WeakPolarHBondContact O-CB 3.4Å; S183-F187 PolarHBondContact O-N 3.21Å; F184-F187 WeakPolarHBondContact O-CB 3.45Å; F184-F187 PolarHBondContact O-N 3.19Å; F187-F190 PolarHBondContact O-N 3.01Å; F187-V191 HydrophobicContact CD1-CG1 4.23Å; F187-V191 HydrophobicContact CE1-CG1 3.82Å; F187-V191 HydrophobicContact CE1-CG2 4.36Å; F187-V191 HydrophobicContact CE2-CG1 4.25Å; F187-V191 HydrophobicContact CZ-CG1 3.83Å; F187-V191 WeakPolarHBondContact O-CG1 3.43Å; F187-V191 WeakPolarHBondContact O-CG2 3.43Å; F187-V191 PolarHBondContact O-N 3.45Å; F187-I197 HydrophobicContact CE1-CD1 3.8Å; F187-I197 HydrophobicContact CZ-CD1 3.75Å
188	I	95.8	Very high	94.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-41.2	-177.5	-70.6	-64.6	0	0	0	112.2	F157 F184 K185 H186 F190 V191 Q192 L202 I209 T213	F157-I188 HydrophobicContact CD2-CD1 4.42Å; F157-I188 HydrophobicContact CE2-CD1 4.32Å; F184-I188 HydrophobicContact CD1-CG1 4.32Å; F184-I188 HydrophobicContact CD2-CG1 4.05Å; F184-I188 HydrophobicContact CE1-CG1 3.89Å; F184-I188 HydrophobicContact CE2-CD1 3.75Å; F184-I188 HydrophobicContact CE2-CG1 3.61Å; F184-I188 HydrophobicContact CG-CG1 4.39Å; F184-I188 HydrophobicContact CZ-CD1 3.74Å; F184-I188 HydrophobicContact CZ-CG1 3.51Å; F184-I188 WeakPolarHBondContact O-CB 3.22Å; F184-I188 VanDerWaalsContact O-CG1 3.29Å; F184-I188 WeakPolarHBondContact O-CG1 3.2Å; F184-I188 PolarHBondContact O-N 3.21Å; K185-I188 PolarHBondContact O-N 3.08Å; H186-I188 VanDerWaalsContact C-N 3.33Å; H186-I188 PolarHBondContact O-N 3.33Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-V191 HydrophobicContact CD1-CG2 4.33Å; I188-V191 WeakPolarHBondContact O-CG2 3.24Å; I188-Q192 HydrophobicContact CG2-CG 4.35Å; I188-Q192 VanDerWaalsContact O-CB 3.31Å; I188-Q192 WeakPolarHBondContact O-CB 3.41Å; I188-Q192 WeakPolarHBondContact O-CG 3.5Å; I188-Q192 PolarHBondContact O-N 3.24Å; I188-L202 HydrophobicContact CD1-CD2 4.09Å; I188-I209 HydrophobicContact CD1-CD1 3.71Å; I188-I209 HydrophobicContact CD1-CG1 3.86Å; I188-I209 HydrophobicContact CG1-CD1 4.46Å; I188-I209 HydrophobicContact CG1-CG1 4.06Å; I188-I209 HydrophobicContact CG2-CG1 4.31Å; I188-I209 HydrophobicContact CG2-CG2 3.84Å; I188-T213 HydrophobicContact CG2-CG2 3.91Å
189	F	94.7	Very high	94.5	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-43	174.3	-72.7	-32.7	0	0	0	111.8	L41 R42 V45 K185 H186 Q192 E193 T213 D216	L41-F189 HydrophobicContact CB-CD2 3.62Å; L41-F189 HydrophobicContact CB-CE2 3.83Å; R42-F189 HydrophobicContact CG-CD1 3.93Å; R42-F189 HydrophobicContact CG-CD2 3.91Å; R42-F189 HydrophobicContact CG-CE1 3.8Å; R42-F189 HydrophobicContact CG-CE2 3.75Å; R42-F189 HydrophobicContact CG-CG 4.01Å; R42-F189 HydrophobicContact CG-CZ 3.71Å; V45-F189 HydrophobicContact CG1-CB 4.17Å; V45-F189 HydrophobicContact CG2-CB 3.99Å; K185-F189 HydrophobicContact CD-CE2 4.3Å; K185-F189 VanDerWaalsContact CE-CE2 3.44Å; K185-F189 HydrophobicContact CG-CD2 4.21Å; K185-F189 HydrophobicContact CG-CE2 3.83Å; K185-F189 HydrophobicContact CG-CZ 4.3Å; K185-F189 PolarHBondContact O-N 3.3Å; H186-F189 PolarHBondContact O-N 3.25Å; F189-Q192 PolarHBondContact O-N 3.19Å; F189-E193 WeakPolarHBondContact O-CB 3.21Å; F189-E193 PolarHBondContact O-N 3.21Å; F189-T213 HydrophobicContact CD1-CG2 4.05Å; F189-T213 HydrophobicContact CE1-CG2 3.46Å; F189-T213 VanDerWaalsContact CE1-CG2 3.46Å; F189-T213 HydrophobicContact CZ-CG2 4.12Å; F189-D216 HydrophobicContact CE2-CB 4.49Å; F189-D216 HydrophobicContact CZ-CB 3.98Å; F189-D216 WeakPolarHBondContact CZ-OD2 3.46Å
190	F	96.4	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-48.3	179.1	-169.5	-91.1	0	0	0	112.5	V45 W56 V57 N60 F64 H186 F187 I188 Q192 E193 F194 L196	V45-F190 HydrophobicContact CB-CB 4.29Å; V45-F190 HydrophobicContact CB-CD2 3.95Å; V45-F190 HydrophobicContact CG1-CB 3.9Å; V45-F190 HydrophobicContact CG1-CD2 4.09Å; W56-F190 AromaticContact CD1-CE2 3.89Å; W56-F190 AromaticContact NE1-CE2 3.61Å; V57-F190 HydrophobicContact CG2-CE1 4.27Å; V57-F190 HydrophobicContact CG2-CZ 4.03Å; N60-F190 HydrophobicContact CB-CD1 4.41Å; N60-F190 HydrophobicContact CB-CD2 3.98Å; N60-F190 HydrophobicContact CB-CE1 3.9Å; N60-F190 HydrophobicContact CB-CE2 3.43Å; N60-F190 VanDerWaalsContact CB-CE2 3.43Å; N60-F190 HydrophobicContact CB-CG 4.45Å; N60-F190 HydrophobicContact CB-CZ 3.41Å; N60-F190 VanDerWaalsContact CB-CZ 3.41Å; N60-F190 WeakPolarHBondContact ND2-CE2 3.45Å; F64-F190 HydrophobicContact CE2-CB 3.73Å; F64-F190 AromaticContact CE2-CD1 3.63Å; F64-F190 HydrophobicContact CE2-CD1 3.63Å; F64-F190 HydrophobicContact CE2-CD2 4.27Å; F64-F190 HydrophobicContact CE2-CE1 4.36Å; F64-F190 AromaticContact CE2-CG 3.6Å; F64-F190 HydrophobicContact CE2-CG 3.6Å; F64-F190 HydrophobicContact CZ-CB 3.66Å; F64-F190 HydrophobicContact CZ-CD1 4.43Å; F64-F190 AromaticContact CZ-CG 3.96Å; F64-F190 HydrophobicContact CZ-CG 3.96Å; H186-F190 WeakPolarHBondContact O-CB 3.23Å; H186-F190 PolarHBondContact O-N 2.89Å; F187-F190 PolarHBondContact O-N 3.01Å; I188-F190 VanDerWaalsContact C-N 3.33Å; F190-Q192 VanDerWaalsContact C-N 3.29Å; F190-Q192 PolarHBondContact O-N 3.36Å; F190-E193 PolarHBondContact O-N 2.93Å; F190-F194 HydrophobicContact CD1-CD2 4.31Å; F190-F194 HydrophobicContact CD2-CD2 4.21Å; F190-F194 AromaticContact CD2-CE2 3.92Å; F190-F194 HydrophobicContact CD2-CE2 3.92Å; F190-F194 AromaticContact CE1-CD2 3.98Å; F190-F194 HydrophobicContact CE1-CD2 3.98Å; F190-F194 HydrophobicContact CE1-CE2 4.42Å; F190-F194 AromaticContact CE2-CD2 3.87Å; F190-F194 HydrophobicContact CE2-CD2 3.87Å; F190-F194 AromaticContact CE2-CE2 3.46Å; F190-F194 HydrophobicContact CE2-CE2 3.46Å; F190-F194 VanDerWaalsContact CE2-CE2 3.46Å; F190-F194 HydrophobicContact CG-CD2 4.4Å; F190-F194 AromaticContact CZ-CD2 3.71Å; F190-F194 HydrophobicContact CZ-CD2 3.71Å; F190-F194 AromaticContact CZ-CE2 3.72Å; F190-F194 HydrophobicContact CZ-CE2 3.72Å; F190-F194 WeakPolarHBondContact O-CD2 3.33Å; F190-F194 PolarHBondContact O-N 3.32Å; F190-L196 HydrophobicContact CD1-CD1 3.77Å; F190-L196 HydrophobicContact CE1-CD1 3.47Å; F190-L196 VanDerWaalsContact CE1-CD1 3.47Å
191	V	96.8	Very high	94.4	Very high	2 Å²	2	52 Å²	52	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-27.8	-179.9	-58.5	0	0	0	0	112.8	L153 F187 I188 N195 L196 I197	L153-V191 HydrophobicContact CB-CG1 4.42Å; L153-V191 HydrophobicContact CD1-CG1 4.41Å; F187-V191 HydrophobicContact CD1-CG1 4.23Å; F187-V191 HydrophobicContact CE1-CG1 3.82Å; F187-V191 HydrophobicContact CE1-CG2 4.36Å; F187-V191 HydrophobicContact CE2-CG1 4.25Å; F187-V191 HydrophobicContact CZ-CG1 3.83Å; F187-V191 WeakPolarHBondContact O-CG1 3.43Å; F187-V191 WeakPolarHBondContact O-CG2 3.43Å; F187-V191 PolarHBondContact O-N 3.45Å; I188-V191 HydrophobicContact CD1-CG2 4.33Å; I188-V191 WeakPolarHBondContact O-CG2 3.24Å; V191-N195 CarbonylContact O-C 3.58Å; V191-N195 WeakPolarHBondContact O-CA 3.46Å; V191-N195 PolarHBondContact O-N 3.02Å; V191-N195 VanDerWaalsContact O-N 3.11Å; V191-L196 HydrophobicContact CB-CB 4.18Å; V191-L196 HydrophobicContact CG1-CB 4.32Å; V191-L196 PolarHBondContact O-N 3.02Å; V191-I197 HydrophobicContact CB-CD1 4.15Å; V191-I197 HydrophobicContact CB-CG1 4.11Å; V191-I197 HydrophobicContact CG1-CD1 3.78Å; V191-I197 HydrophobicContact CG1-CG1 4.07Å; V191-I197 HydrophobicContact CG2-CD1 4.29Å
192	Q	94.4	Very high	94.6	Very high	82 Å²	82	50.3 Å²	50.3	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-73.8	-43.3	174.6	-76.1	179	-6.1	0	0	111.8	I188 F189 F190 F194 N195	I188-Q192 HydrophobicContact CG2-CG 4.35Å; I188-Q192 VanDerWaalsContact O-CB 3.31Å; I188-Q192 WeakPolarHBondContact O-CB 3.41Å; I188-Q192 WeakPolarHBondContact O-CG 3.5Å; I188-Q192 PolarHBondContact O-N 3.24Å; F189-Q192 PolarHBondContact O-N 3.19Å; F190-Q192 VanDerWaalsContact C-N 3.29Å; F190-Q192 PolarHBondContact O-N 3.36Å; Q192-F194 VanDerWaalsContact C-N 3.33Å; Q192-F194 PolarHBondContact O-N 3.39Å; Q192-N195 PolarHBondContact O-N 3.03Å
193	E	95.5	Very high	94.6	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-56.1	-47	179.6	-176.1	59.8	-157.2	0	0	111.3	V45 F189 F190	V45-E193 HydrophobicContact CG2-CB 4.2Å; V45-E193 HydrophobicContact CG2-CG 4.42Å; F189-E193 WeakPolarHBondContact O-CB 3.21Å; F189-E193 PolarHBondContact O-N 3.21Å; F190-E193 PolarHBondContact O-N 2.93Å
194	F	96.8	Very high	94.4	Very high	37 Å²	37	48.6 Å²	48.6	16%	0.162	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.8	-176.5	-56.3	-67.7	0	0	0	114.2	V45 L47 L53 W56 F190 Q192 L196	V45-F194 VanDerWaalsContact O-CE2 3.24Å; V45-F194 WeakPolarHBondContact O-CE2 3.26Å; V45-F194 WeakPolarHBondContact O-CZ 3.41Å; L47-F194 HydrophobicContact CB-CE1 4.05Å; L47-F194 HydrophobicContact CB-CZ 4.07Å; L53-F194 HydrophobicContact CD1-CD1 3.44Å; L53-F194 VanDerWaalsContact CD1-CD1 3.44Å; L53-F194 HydrophobicContact CD1-CE1 3.55Å; L53-F194 HydrophobicContact CD1-CG 4.22Å; L53-F194 HydrophobicContact CD1-CZ 4.4Å; W56-F194 AromaticContact CD1-CE2 3.64Å; W56-F194 AromaticContact CD1-CZ 3.43Å; W56-F194 VanDerWaalsContact CD1-CZ 3.43Å; W56-F194 AromaticContact NE1-CE2 3.7Å; W56-F194 AromaticContact NE1-CZ 3.63Å; F190-F194 HydrophobicContact CD1-CD2 4.31Å; F190-F194 HydrophobicContact CD2-CD2 4.21Å; F190-F194 AromaticContact CD2-CE2 3.92Å; F190-F194 HydrophobicContact CD2-CE2 3.92Å; F190-F194 AromaticContact CE1-CD2 3.98Å; F190-F194 HydrophobicContact CE1-CD2 3.98Å; F190-F194 HydrophobicContact CE1-CE2 4.42Å; F190-F194 AromaticContact CE2-CD2 3.87Å; F190-F194 HydrophobicContact CE2-CD2 3.87Å; F190-F194 AromaticContact CE2-CE2 3.46Å; F190-F194 HydrophobicContact CE2-CE2 3.46Å; F190-F194 VanDerWaalsContact CE2-CE2 3.46Å; F190-F194 HydrophobicContact CG-CD2 4.4Å; F190-F194 AromaticContact CZ-CD2 3.71Å; F190-F194 HydrophobicContact CZ-CD2 3.71Å; F190-F194 AromaticContact CZ-CE2 3.72Å; F190-F194 HydrophobicContact CZ-CE2 3.72Å; F190-F194 WeakPolarHBondContact O-CD2 3.33Å; F190-F194 PolarHBondContact O-N 3.32Å; Q192-F194 VanDerWaalsContact C-N 3.33Å; Q192-F194 PolarHBondContact O-N 3.39Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 HydrophobicContact CB-CD1 3.87Å; F194-L196 HydrophobicContact CB-CD2 3.89Å; F194-L196 HydrophobicContact CB-CG 3.67Å; F194-L196 HydrophobicContact CD2-CD1 4.5Å; F194-L196 PolarHBondContact O-N 2.94Å
195	N	96.4	Very high	94.2	Very high	102 Å²	102	49 Å²	49	55%	0.545	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	52.5	-179.1	-170	32.7	0	0	0	113	K150 V191 Q192	K150-N195 WeakPolarHBondContact CE-O 3.44Å; K150-N195 PolarHBondContact NZ-O 3.2Å; V191-N195 CarbonylContact O-C 3.58Å; V191-N195 WeakPolarHBondContact O-CA 3.46Å; V191-N195 PolarHBondContact O-N 3.02Å; V191-N195 VanDerWaalsContact O-N 3.11Å; Q192-N195 PolarHBondContact O-N 3.03Å
196	L	97.2	Very high	93.9	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	24%	0.238	C	C	.	.			trans	-88.9	-19.2	-172	-58.9	175.1	0	0	0	113.2	V57 M146 K150 L153 F190 V191 F194	V57-L196 HydrophobicContact CG1-CD1 4.47Å; V57-L196 HydrophobicContact CG2-CD1 4.38Å; M146-L196 HydrophobicContact SD-CD2 3.57Å; M146-L196 VanDerWaalsContact SD-CD2 3.57Å; K150-L196 WeakPolarHBondContact CB-O 3.44Å; K150-L196 HydrophobicContact CG-CB 4.32Å; K150-L196 HydrophobicContact CG-CD2 4.06Å; K150-L196 VanDerWaalsContact CG-O 3.3Å; K150-L196 WeakPolarHBondContact CG-O 3.42Å; L153-L196 HydrophobicContact CD1-CB 3.86Å; L153-L196 HydrophobicContact CD1-CD1 3.38Å; L153-L196 HydrophobicContact CD1-CG 4.15Å; F190-L196 HydrophobicContact CD1-CD1 3.77Å; F190-L196 HydrophobicContact CE1-CD1 3.47Å; F190-L196 VanDerWaalsContact CE1-CD1 3.47Å; V191-L196 HydrophobicContact CB-CB 4.18Å; V191-L196 HydrophobicContact CG1-CB 4.32Å; V191-L196 PolarHBondContact O-N 3.02Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 HydrophobicContact CB-CD1 3.87Å; F194-L196 HydrophobicContact CB-CD2 3.89Å; F194-L196 HydrophobicContact CB-CG 3.67Å; F194-L196 HydrophobicContact CD2-CD1 4.5Å; F194-L196 PolarHBondContact O-N 2.94Å
197	I	97.1	Very high	93.4	Very high	9 Å²	9	57 Å²	57	5%	0.046	27%	0.269	C	S	.	.	S	Bend	trans	-132.4	129.7	178	-56.4	179.2	0	0	0	109.5	L153 F157 F187 V191 E201 L202	L153-I197 HydrophobicContact CB-CD1 4.21Å; L153-I197 HydrophobicContact CB-CG1 4.34Å; F157-I197 HydrophobicContact CB-CD1 4.03Å; F187-I197 HydrophobicContact CE1-CD1 3.8Å; F187-I197 HydrophobicContact CZ-CD1 3.75Å; V191-I197 HydrophobicContact CB-CD1 4.15Å; V191-I197 HydrophobicContact CB-CG1 4.11Å; V191-I197 HydrophobicContact CG1-CD1 3.78Å; V191-I197 HydrophobicContact CG1-CG1 4.07Å; V191-I197 HydrophobicContact CG2-CD1 4.29Å; I197-E201 HydrophobicContact CG2-CB 3.75Å; I197-L202 HydrophobicContact CB-CD2 4.23Å; I197-L202 HydrophobicContact CB-CG 4.47Å; I197-L202 HydrophobicContact CD1-CD2 4.33Å; I197-L202 HydrophobicContact CG2-CD2 3.73Å; I197-L202 HydrophobicContact CG2-CG 3.89Å
198	D	93.8	Very high	92.7	Very high	109 Å²	109	59 Å²	59	58%	0.583	28%	0.279	S	S	*	.			trans	-63	138.8	174.9	-72.4	-30.9	0	0	0	111.1	K200 E201 L202	D198-K200 PolarHBondContact O-N 2.83Å; D198-E201 HydrophobicContact CB-CG 4.38Å; D198-E201 WeakPolarHBondContact O-CB 3.45Å; D198-E201 PolarHBondContact O-N 2.86Å; D198-L202 PolarHBondContact O-N 2.8Å
199	R	90.3	Very high	92.4	Very high	216 Å²	216	59.1 Å²	59.1	82%	0.815	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.4	179.2	-68	-173	179	-152.8	0	114	E201 L202 A203	R199-E201 VanDerWaalsContact C-N 3.3Å; R199-E201 PolarHBondContact O-N 3.43Å; R199-L202 PolarHBondContact O-N 3.48Å; R199-A203 PolarHBondContact O-N 2.84Å
200	K	91.3	Very high	92	Very high	188 Å²	188	63.7 Å²	63.7	82%	0.817	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.8	178.4	-59.3	-179.1	-177	177.6	0	112.3	D198 L202 A203	D198-K200 PolarHBondContact O-N 2.83Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-A203 VanDerWaalsContact O-CB 3.26Å; K200-A203 WeakPolarHBondContact O-CB 3.45Å; K200-A203 PolarHBondContact O-N 3.29Å
201	E	91.4	Very high	91.2	Very high	63 Å²	63	70.5 Å²	70.5	29%	0.294	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.4	178.4	-62.1	-80.4	171.2	0	0	111.1	K154 F157 R158 I197 D198 R199 A203 P204	K154-E201 HydrophobicContact CD-CG 3.92Å; K154-E201 HydrophobicContact CG-CB 4.48Å; K154-E201 HydrophobicContact CG-CG 4.3Å; F157-E201 WeakPolarHBondContact CE1-O 3.43Å; R158-E201 IonicContact NH2-OE2 3.69Å; I197-E201 HydrophobicContact CG2-CB 3.75Å; D198-E201 HydrophobicContact CB-CG 4.38Å; D198-E201 WeakPolarHBondContact O-CB 3.45Å; D198-E201 PolarHBondContact O-N 2.86Å; R199-E201 VanDerWaalsContact C-N 3.3Å; R199-E201 PolarHBondContact O-N 3.43Å; E201-A203 VanDerWaalsContact C-N 3.29Å; E201-P204 VanDerWaalsContact O-CD 3.23Å; E201-P204 WeakPolarHBondContact O-CD 3.4Å
202	L	93.5	Very high	90.3	Very high	8 Å²	8	72.2 Å²	72.2	4%	0.042	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.7	176.7	-60.8	177.9	0	0	0	113.8	F157 I188 I197 D198 R199 K200 P204 L205 Q206 I209	F157-L202 HydrophobicContact CD1-CD2 4.46Å; F157-L202 HydrophobicContact CD2-CD2 3.67Å; F157-L202 HydrophobicContact CE1-CD2 4.39Å; F157-L202 HydrophobicContact CE2-CD2 3.57Å; F157-L202 HydrophobicContact CG-CD2 4.13Å; F157-L202 HydrophobicContact CZ-CB 4.47Å; F157-L202 HydrophobicContact CZ-CD2 3.96Å; I188-L202 HydrophobicContact CD1-CD2 4.09Å; I197-L202 HydrophobicContact CB-CD2 4.23Å; I197-L202 HydrophobicContact CB-CG 4.47Å; I197-L202 HydrophobicContact CD1-CD2 4.33Å; I197-L202 HydrophobicContact CG2-CD2 3.73Å; I197-L202 HydrophobicContact CG2-CG 3.89Å; D198-L202 PolarHBondContact O-N 2.8Å; R199-L202 PolarHBondContact O-N 3.48Å; K200-L202 VanDerWaalsContact C-N 3.31Å; L202-P204 VanDerWaalsContact C-N 3.3Å; L202-P204 WeakPolarHBondContact O-CD 3.44Å; L202-P204 VanDerWaalsContact O-N 3.12Å; L202-L205 PolarHBondContact O-N 3Å; L202-Q206 PolarHBondContact O-N 3.49Å; L202-I209 HydrophobicContact CB-CD1 3.87Å; L202-I209 HydrophobicContact CD1-CD1 4.4Å; L202-I209 HydrophobicContact CD2-CD1 4.32Å; L202-I209 HydrophobicContact CG-CD1 4.42Å
203	A	92.2	Very high	89.5	Confident	36 Å²	36	69 Å²	69	30%	0.298	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-49.5	-36.3	-176.8	0	0	0	0	0	115.6	Y93 R199 K200 E201 L205 Q206	Y93-A203 HydrophobicContact CE1-CB 4.46Å; Y93-A203 WeakPolarHBondContact OH-CB 3.4Å; R199-A203 PolarHBondContact O-N 2.84Å; K200-A203 VanDerWaalsContact O-CB 3.26Å; K200-A203 WeakPolarHBondContact O-CB 3.45Å; K200-A203 PolarHBondContact O-N 3.29Å; E201-A203 VanDerWaalsContact C-N 3.29Å; A203-L205 PolarHBondContact O-N 3.1Å; A203-Q206 PolarHBondContact O-N 3.19Å
204	P	90.3	Very high	88.3	Confident	13 Å²	13	68.1 Å²	68.1	8%	0.084	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-60.7	-23.8	178.4	-23.9	34.2	0	0	0	115	A89 Y93 Y95 F157 A161 H165 E201 L202	A89-P204 HydrophobicContact CB-CB 3.83Å; A89-P204 HydrophobicContact CB-CG 4.46Å; Y93-P204 HydrophobicContact CD1-CG 3.97Å; Y93-P204 HydrophobicContact CD2-CB 3.78Å; Y93-P204 HydrophobicContact CD2-CG 3.76Å; Y93-P204 HydrophobicContact CE1-CG 4.12Å; Y93-P204 HydrophobicContact CE2-CB 3.94Å; Y93-P204 HydrophobicContact CE2-CG 3.92Å; Y93-P204 HydrophobicContact CG-CB 4.25Å; Y93-P204 HydrophobicContact CG-CG 3.77Å; Y95-P204 WeakPolarHBondContact OH-CG 3.48Å; F157-P204 HydrophobicContact CE1-CG 4.39Å; A161-P204 HydrophobicContact CB-CB 4.37Å; H165-P204 PolarHBondContact NE2-O 3.11Å; E201-P204 VanDerWaalsContact O-CD 3.23Å; E201-P204 WeakPolarHBondContact O-CD 3.4Å; L202-P204 VanDerWaalsContact C-N 3.3Å; L202-P204 WeakPolarHBondContact O-CD 3.44Å; L202-P204 VanDerWaalsContact O-N 3.12Å
205	L	90.3	Very high	86.4	Confident	9 Å²	9	75.2 Å²	75.2	5%	0.047	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-123.4	17.7	-179.9	-65.3	-178.3	0	0	0	112.7	F157 A161 Y164 F184 L202 A203 E207 L208 I209	F157-L205 HydrophobicContact CE2-CB 4.24Å; F157-L205 HydrophobicContact CE2-CD1 3.88Å; F157-L205 HydrophobicContact CE2-CG 4.36Å; F157-L205 HydrophobicContact CZ-CB 4.01Å; F157-L205 HydrophobicContact CZ-CD1 4.04Å; F157-L205 HydrophobicContact CZ-CG 4.08Å; A161-L205 HydrophobicContact CB-CD1 4.08Å; A161-L205 HydrophobicContact CB-CG 4.11Å; Y164-L205 HydrophobicContact CD2-CD1 3.9Å; Y164-L205 HydrophobicContact CD2-CD2 4.37Å; Y164-L205 HydrophobicContact CG-CD2 4.34Å; F184-L205 HydrophobicContact CE1-CD1 4.2Å; F184-L205 HydrophobicContact CE2-CD1 3.63Å; F184-L205 HydrophobicContact CZ-CB 4.08Å; F184-L205 HydrophobicContact CZ-CD1 3.42Å; F184-L205 VanDerWaalsContact CZ-CD1 3.42Å; F184-L205 HydrophobicContact CZ-CG 4.42Å; L202-L205 PolarHBondContact O-N 3Å; A203-L205 PolarHBondContact O-N 3.1Å; L205-E207 VanDerWaalsContact C-N 3.34Å; L205-E207 PolarHBondContact O-N 3.47Å; L205-L208 HydrophobicContact CD2-CD2 4.27Å; L205-L208 WeakPolarHBondContact O-CB 3.34Å; L205-L208 PolarHBondContact O-N 3.04Å; L205-I209 HydrophobicContact CB-CD1 4.33Å; L205-I209 HydrophobicContact CB-CG1 4.46Å; L205-I209 WeakPolarHBondContact O-CG1 3.29Å; L205-I209 PolarHBondContact O-N 3.27Å
206	Q	88	Confident	84.4	Confident	68 Å²	68	72.2 Å²	72.2	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-54.7	-45.8	-173.3	-176.3	61.8	34	0	0	113.1	L202 A203 L208 I209 E210	L202-Q206 PolarHBondContact O-N 3.49Å; A203-Q206 PolarHBondContact O-N 3.19Å; Q206-L208 VanDerWaalsContact C-N 3.32Å; Q206-L208 PolarHBondContact O-N 3.1Å; Q206-I209 WeakPolarHBondContact O-CB 3.03Å; Q206-I209 PolarHBondContact O-N 3.38Å; Q206-E210 PolarHBondContact NE2-OE1 3.24Å; Q206-E210 WeakPolarHBondContact O-CG 3.18Å; Q206-E210 PolarHBondContact O-N 2.94Å
207	E	81.8	Confident	82.1	Confident	142 Å²	142	85 Å²	85	66%	0.664	39%	0.39	S	S	*	.	H	α-helix	trans	-63.5	-37.3	178.5	-65.6	-177.6	-166.9	0	0	112.7	L205 K211	L205-E207 VanDerWaalsContact C-N 3.34Å; L205-E207 PolarHBondContact O-N 3.47Å; E207-K211 VanDerWaalsContact O-CG 3.32Å; E207-K211 WeakPolarHBondContact O-CG 3.32Å; E207-K211 PolarHBondContact O-N 3.44Å
208	L	83	Confident	81.3	Confident	41 Å²	41	88.8 Å²	88.8	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-69.6	-43.4	177.2	179	65	0	0	0	110.6	Y164 F184 L205 Q206 E210 K211 L212	Y164-L208 HydrophobicContact CD1-CD2 3.67Å; Y164-L208 HydrophobicContact CD2-CD2 3.8Å; Y164-L208 HydrophobicContact CE1-CD2 3.55Å; Y164-L208 HydrophobicContact CE2-CD2 3.69Å; Y164-L208 HydrophobicContact CG-CD2 3.8Å; F184-L208 HydrophobicContact CD1-CD2 4.08Å; F184-L208 HydrophobicContact CE1-CD2 3.74Å; F184-L208 HydrophobicContact CE1-CG 4.06Å; L205-L208 HydrophobicContact CD2-CD2 4.27Å; L205-L208 WeakPolarHBondContact O-CB 3.34Å; L205-L208 PolarHBondContact O-N 3.04Å; Q206-L208 VanDerWaalsContact C-N 3.32Å; Q206-L208 PolarHBondContact O-N 3.1Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 3.43Å; L208-K211 PolarHBondContact O-N 3.47Å; L208-L212 HydrophobicContact CD1-CD1 3.77Å; L208-L212 HydrophobicContact CD1-CG 3.9Å; L208-L212 HydrophobicContact CD2-CD1 4.31Å; L208-L212 HydrophobicContact CG-CD1 3.76Å; L208-L212 HydrophobicContact CG-CG 4.23Å; L208-L212 WeakPolarHBondContact O-CB 3.39Å; L208-L212 WeakPolarHBondContact O-CG 3.31Å; L208-L212 PolarHBondContact O-N 3.29Å
209	I	88.9	Confident	80.7	Confident	4 Å²	4	87.7 Å²	87.7	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-56.6	-48.1	175.4	-70.7	166.2	0	0	0	109.9	F157 F184 I188 L202 L205 Q206 K211 L212 T213	F157-I209 HydrophobicContact CE2-CD1 4.45Å; F184-I209 HydrophobicContact CE1-CG1 4.05Å; F184-I209 HydrophobicContact CZ-CD1 4.35Å; F184-I209 HydrophobicContact CZ-CG1 3.81Å; I188-I209 HydrophobicContact CD1-CD1 3.71Å; I188-I209 HydrophobicContact CD1-CG1 3.86Å; I188-I209 HydrophobicContact CG1-CD1 4.46Å; I188-I209 HydrophobicContact CG1-CG1 4.06Å; I188-I209 HydrophobicContact CG2-CG1 4.31Å; I188-I209 HydrophobicContact CG2-CG2 3.84Å; L202-I209 HydrophobicContact CB-CD1 3.87Å; L202-I209 HydrophobicContact CD1-CD1 4.4Å; L202-I209 HydrophobicContact CD2-CD1 4.32Å; L202-I209 HydrophobicContact CG-CD1 4.42Å; L205-I209 HydrophobicContact CB-CD1 4.33Å; L205-I209 HydrophobicContact CB-CG1 4.46Å; L205-I209 WeakPolarHBondContact O-CG1 3.29Å; L205-I209 PolarHBondContact O-N 3.27Å; Q206-I209 WeakPolarHBondContact O-CB 3.03Å; Q206-I209 PolarHBondContact O-N 3.38Å; I209-K211 PolarHBondContact O-N 2.99Å; I209-L212 PolarHBondContact O-N 2.94Å; I209-T213 HydrophobicContact CG2-CG2 4.32Å; I209-T213 VanDerWaalsContact O-CB 3.32Å; I209-T213 WeakPolarHBondContact O-CB 3.34Å; I209-T213 VanDerWaalsContact O-CG2 3.24Å; I209-T213 WeakPolarHBondContact O-CG2 3.39Å; I209-T213 PolarHBondContact O-N 3.34Å; I209-T213 PolarHBondContact O-OG1 3.34Å
210	E	87.4	Confident	80.2	Confident	99 Å²	99	80.6 Å²	80.6	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-58.9	-49.7	176.9	-73.6	170.3	-166.5	0	0	110.9	Q206 L208 L212 T213 T214	Q206-E210 PolarHBondContact NE2-OE1 3.24Å; Q206-E210 WeakPolarHBondContact O-CG 3.18Å; Q206-E210 PolarHBondContact O-N 2.94Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 3.43Å; E210-L212 PolarHBondContact O-N 3.04Å; E210-T213 PolarHBondContact O-N 2.93Å; E210-T214 VanDerWaalsContact O-CB 3.32Å; E210-T214 WeakPolarHBondContact O-CB 3.46Å; E210-T214 PolarHBondContact O-N 2.71Å; E210-T214 PolarHBondContact O-OG1 2.93Å
211	K	79.3	Confident	79.5	Confident	144 Å²	144	74.2 Å²	74.2	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-59	-43.4	178.7	-75.1	169.1	-178.7	169.8	0	113.4	E207 L208 I209	E207-K211 VanDerWaalsContact O-CG 3.32Å; E207-K211 WeakPolarHBondContact O-CG 3.32Å; E207-K211 PolarHBondContact O-N 3.44Å; L208-K211 PolarHBondContact O-N 3.47Å; I209-K211 PolarHBondContact O-N 2.99Å
212	L	76.8	Confident	78.7	Confident	38 Å²	38	74.9 Å²	74.9	20%	0.199	35%	0.352	C	S	.	.	H	α-helix	trans	-78	-26.3	-175.3	-69.2	178.1	0	0	0	113.5	F184 K185 L208 I209 E210	F184-L212 HydrophobicContact CD1-CD1 3.64Å; F184-L212 HydrophobicContact CE1-CD1 4.07Å; K185-L212 WeakPolarHBondContact CE-O 3.42Å; L208-L212 HydrophobicContact CD1-CD1 3.77Å; L208-L212 HydrophobicContact CD1-CG 3.9Å; L208-L212 HydrophobicContact CD2-CD1 4.31Å; L208-L212 HydrophobicContact CG-CD1 3.76Å; L208-L212 HydrophobicContact CG-CG 4.23Å; L208-L212 WeakPolarHBondContact O-CB 3.39Å; L208-L212 WeakPolarHBondContact O-CG 3.31Å; L208-L212 PolarHBondContact O-N 3.29Å; I209-L212 PolarHBondContact O-N 2.94Å; E210-L212 PolarHBondContact O-N 3.04Å
213	T	77.3	Confident	77.8	Confident	15 Å²	15	79.4 Å²	79.4	9%	0.092	37%	0.373	C	S	.	.	H	α-helix	trans	-99.4	-14	-175.8	62.2	0	0	0	0	114.1	R42 I188 F189 I209 E210	R42-T213 PolarHBondContact NH2-O 3Å; I188-T213 HydrophobicContact CG2-CG2 3.91Å; F189-T213 HydrophobicContact CD1-CG2 4.05Å; F189-T213 HydrophobicContact CE1-CG2 3.46Å; F189-T213 VanDerWaalsContact CE1-CG2 3.46Å; F189-T213 HydrophobicContact CZ-CG2 4.12Å; I209-T213 HydrophobicContact CG2-CG2 4.32Å; I209-T213 VanDerWaalsContact O-CB 3.32Å; I209-T213 WeakPolarHBondContact O-CB 3.34Å; I209-T213 VanDerWaalsContact O-CG2 3.24Å; I209-T213 WeakPolarHBondContact O-CG2 3.39Å; I209-T213 PolarHBondContact O-N 3.34Å; I209-T213 PolarHBondContact O-OG1 3.34Å; E210-T213 PolarHBondContact O-N 2.93Å
214	T	71.7	Confident	76.7	Confident	85 Å²	85	82.5 Å²	82.5	52%	0.521	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-71.8	-26.1	-179.7	-58.3	0	0	0	0	113.1	E210 D216	E210-T214 VanDerWaalsContact O-CB 3.32Å; E210-T214 WeakPolarHBondContact O-CB 3.46Å; E210-T214 PolarHBondContact O-N 2.71Å; E210-T214 PolarHBondContact O-OG1 2.93Å; T214-D216 PolarHBondContact O-N 3.17Å
215	K	55.9	Low	75.7	Confident	186 Å²	186	87.8 Å²	87.8	81%	0.809	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-71.8	-17.1	179.2	-74	-172.5	177.4	-178.5	0	114.1
216	D	54.8	Low	74.5	Confident	39 Å²	39	94.4 Å²	94.4	21%	0.209	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-112.5	22	-178.2	-37	-90.1	0	0	0	111.8	R42 K185 F189 T214	R42-D216 WeakPolarHBondContact CD-O 3.35Å; R42-D216 PolarHBondContact NE-O 3.18Å; K185-D216 WeakPolarHBondContact CE-OD2 3.06Å; K185-D216 IonicContact NZ-OD1 3.57Å; K185-D216 PolarHBondContact NZ-OD1 3.18Å; K185-D216 IonicContact NZ-OD2 3.92Å; K185-D216 PolarHBondContact NZ-OD2 3.04Å; F189-D216 HydrophobicContact CE2-CB 4.49Å; F189-D216 HydrophobicContact CZ-CB 3.98Å; F189-D216 WeakPolarHBondContact CZ-OD2 3.46Å; T214-D216 PolarHBondContact O-N 3.17Å
217	R	48.8	Very low	73.2	Confident	272 Å²	272	96.8 Å²	96.8	100%	1.026	44%	0.44	S	S	*	.			trans	-87.3	0	165.4	-96.8	-176.8	134.7	-177.6	-3.3	109.6

Retrieved 217 of 217 residues in 352.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).