A0A3Q0KGW0_SCHMA Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession A0A3Q0KGW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 190 aa.

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(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	51.4	Low	53.3	Low	230 Å²	230	153.8 Å²	153.8	100%	1.133	74%	0.744	S	S	*	*				0	33.1	0	-146.3	168	84.5	0	0	112.2
2	M	51.8	Low	53.3	Low	164 Å²	164	152.3 Å²	152.3	81%	0.808	74%	0.741	S	S	*	*			trans	-120.9	24.2	-171.3	-161.9	153.5	75.3	0	0	112.3
3	W	48.8	Very low	53.7	Low	237 Å²	237	146 Å²	146	90%	0.898	73%	0.729	S	S	*	*	S	Bend	trans	-123.1	-1.4	178.8	-78.2	71.8	0	0	0	113.1
4	M	52.7	Low	54.4	Low	171 Å²	171	144.5 Å²	144.5	84%	0.842	73%	0.731	S	S	*	*	S	Bend	trans	-97.6	-7.3	178.2	-86.4	-178	73.5	0	0	114.9
5	I	56.8	Low	54.8	Low	136 Å²	136	147.3 Å²	147.3	70%	0.697	73%	0.731	S	S	*	*	S	Bend	trans	-88.7	-21.3	-175.6	-60.4	176.4	0	0	0	112.3	F7	I5-F7 PolarHBondContact O-N 3.47Å
6	I	54.9	Low	55	Low	122 Å²	122	142.1 Å²	142.1	63%	0.626	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-22.3	-174	-58.2	177.2	0	0	0	112.6	S9	I6-S9 PolarHBondContact O-OG 3.44Å
7	F	52.4	Low	55.1	Low	173 Å²	173	139.6 Å²	139.6	76%	0.759	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-19.8	-179.4	-92.8	-83.9	0	0	0	114.6	I5	I5-F7 PolarHBondContact O-N 3.47Å
8	A	56.4	Low	55.5	Low	62 Å²	62	140 Å²	140	51%	0.512	72%	0.716	S	S	.	*	H	α-helix	trans	-78.6	-21.9	-175.6	0	0	0	0	0	114
9	S	54.8	Low	54.9	Low	77 Å²	77	139.9 Å²	139.9	54%	0.538	71%	0.713	S	S	.	*	H	α-helix	trans	-79.2	-20.5	-176	59	0	0	0	0	114.3	I6	I6-S9 PolarHBondContact O-OG 3.44Å
10	W	49	Very low	55	Low	201 Å²	201	139.8 Å²	139.8	76%	0.761	71%	0.712	S	S	*	*	H	α-helix	trans	-82.6	-26.4	-179.8	-83.3	84.1	0	0	0	113.8
11	I	56.9	Low	54.3	Low	119 Å²	119	141.7 Å²	141.7	61%	0.61	72%	0.718	S	S	*	*	H	α-helix	trans	-73.8	-31.7	-179.9	-63.2	176.9	0	0	0	111.4	A13 Y15	I11-A13 VanDerWaalsContact C-N 3.35Å; I11-A13 PolarHBondContact O-N 3.49Å; I11-Y15 HydrophobicContact CG2-CE2 4.32Å; I11-Y15 WeakPolarHBondContact O-CD2 3.45Å
12	L	53.6	Low	54.3	Low	136 Å²	136	133.1 Å²	133.1	71%	0.712	69%	0.689	S	S	*	*	H	α-helix	trans	-69.5	-27.7	-179.8	-85.3	156.6	0	0	0	113.8	Y15	L12-Y15 PolarHBondContact O-N 3.25Å
13	A	58.2	Low	54.4	Low	70 Å²	70	134.8 Å²	134.8	58%	0.579	70%	0.695	S	S	*	*	H	α-helix	trans	-73.5	-27.2	-177	0	0	0	0	0	113.4	I11 Y15 A16	I11-A13 VanDerWaalsContact C-N 3.35Å; I11-A13 PolarHBondContact O-N 3.49Å; A13-Y15 VanDerWaalsContact C-N 3.27Å; A13-Y15 PolarHBondContact O-N 3.45Å; A13-A16 PolarHBondContact O-N 3.43Å
14	V	63.2	Low	55.1	Low	125 Å²	125	129.6 Å²	129.6	76%	0.758	69%	0.689	S	S	*	*	H	α-helix	trans	-74	-22.2	179.5	-173.7	0	0	0	0	111.7
15	Y	60.4	Low	56	Low	186 Å²	186	130 Å²	130	73%	0.729	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	3	178.7	-70.6	-75.9	0	0	0	114.2	I11 L12 A13 P17	I11-Y15 HydrophobicContact CG2-CE2 4.32Å; I11-Y15 WeakPolarHBondContact O-CD2 3.45Å; L12-Y15 PolarHBondContact O-N 3.25Å; A13-Y15 VanDerWaalsContact C-N 3.27Å; A13-Y15 PolarHBondContact O-N 3.45Å; Y15-P17 VanDerWaalsContact O-CD 3.23Å; Y15-P17 WeakPolarHBondContact O-CD 3.23Å; Y15-P17 VanDerWaalsContact O-N 3.13Å
16	A	58	Low	57.4	Low	65 Å²	65	126.8 Å²	126.8	54%	0.537	67%	0.673	S	S	.	*	S	Bend	trans	-64.5	116.5	174.8	0	0	0	0	0	108.5	A13 I18	A13-A16 PolarHBondContact O-N 3.43Å; A16-I18 PolarHBondContact O-N 2.94Å
17	P	57.1	Low	58.8	Low	99 Å²	99	126.5 Å²	126.5	64%	0.643	68%	0.679	S	S	*	*			trans	-58.2	131.3	178.3	21.6	-30	0	0	0	108.8	Y15 Q19	Y15-P17 VanDerWaalsContact O-CD 3.23Å; Y15-P17 WeakPolarHBondContact O-CD 3.23Å; Y15-P17 VanDerWaalsContact O-N 3.13Å; P17-Q19 PolarHBondContact O-N 3.46Å; P17-Q19 PolarHBondContact O-NE2 3.02Å; P17-Q19 VanDerWaalsContact O-NE2 3.13Å
18	I	62.4	Low	60.6	Low	147 Å²	147	123 Å²	123	75%	0.754	67%	0.667	S	S	*	*			trans	-49.1	110.6	176.5	-64.3	167.9	0	0	0	107.7	A16 I20	A16-I18 PolarHBondContact O-N 2.94Å; I18-I20 HydrophobicContact CG2-CD1 3.65Å; I18-I20 HydrophobicContact CG2-CG1 4.35Å; I18-I20 PolarHBondContact O-N 2.83Å; I18-I20 VanDerWaalsContact O-N 3.13Å
19	Q	45.1	Very low	62.4	Low	138 Å²	138	121.8 Å²	121.8	65%	0.645	66%	0.657	S	S	*	*			trans	-77	97.1	172.5	-61.1	-63	-77.4	0	0	106.6	P17 H21	P17-Q19 PolarHBondContact O-N 3.46Å; P17-Q19 PolarHBondContact O-NE2 3.02Å; P17-Q19 VanDerWaalsContact O-NE2 3.13Å; Q19-H21 PolarHBondContact O-N 3.13Å
20	I	55.5	Low	64.4	Low	138 Å²	138	118.7 Å²	118.7	71%	0.708	64%	0.635	S	S	*	*			trans	-69	101.5	170.5	-47.2	-75.2	0	0	0	106.1	I18 G22	I18-I20 HydrophobicContact CG2-CD1 3.65Å; I18-I20 HydrophobicContact CG2-CG1 4.35Å; I18-I20 PolarHBondContact O-N 2.83Å; I18-I20 VanDerWaalsContact O-N 3.13Å; I20-G22 PolarHBondContact O-N 3.33Å
21	H	41.2	Very low	66.6	Low	179 Å²	179	112 Å²	112	83%	0.829	61%	0.614	S	S	*	*	S	Bend	trans	-75.4	113.3	176	-77.9	-66.7	0	0	0	109.6	Q19	Q19-H21 PolarHBondContact O-N 3.13Å
22	G	51	Low	68.5	Low	51 Å²	51	112.6 Å²	112.6	53%	0.526	62%	0.618	S	S	.	*	S	Bend	trans	109	93.1	-177.9	0	0	0	0	0	110	I20 V24	I20-G22 PolarHBondContact O-N 3.33Å; G22-V24 PolarHBondContact O-N 3.13Å
23	E	54.9	Low	70.6	Confident	199 Å²	199	110.5 Å²	110.5	93%	0.93	61%	0.605	S	S	*	*			trans	-61.9	94.2	164.3	-75	177.6	173.7	0	0	107	E25	E23-E25 PolarHBondContact O-N 3.35Å
24	V	62.7	Low	72.5	Confident	127 Å²	127	107.1 Å²	107.1	77%	0.77	58%	0.577	S	S	*	*			trans	-64.8	120.7	155.9	178.5	0	0	0	0	104.3	G22 D26	G22-V24 PolarHBondContact O-N 3.13Å; V24-D26 PolarHBondContact O-N 3.43Å
25	E	71.6	Confident	74.2	Confident	181 Å²	181	103 Å²	103	85%	0.846	55%	0.55	S	S	*	.			trans	-51.7	113.7	170.7	-173.4	176	-177.1	0	0	107.4	E23 P27	E23-E25 PolarHBondContact O-N 3.35Å; E25-P27 WeakPolarHBondContact O-CD 3.3Å
26	D	85.4	Confident	76	Confident	67 Å²	67	99.9 Å²	99.9	36%	0.358	54%	0.541	S	S	.	.			trans	-84.7	103.1	-178.1	180	2.3	0	0	0	107.8	V24 I28 A29	V24-D26 PolarHBondContact O-N 3.43Å; D26-I28 PolarHBondContact O-N 3.02Å; D26-I28 VanDerWaalsContact OD1-CB 3.3Å; D26-I28 WeakPolarHBondContact OD1-CB 3.12Å; D26-I28 PolarHBondContact OD1-N 2.96Å; D26-A29 HydrophobicContact CB-CB 3.92Å; D26-A29 PolarHBondContact O-N 3.03Å
27	P	84.7	Confident	77.9	Confident	117 Å²	117	97.6 Å²	97.6	76%	0.76	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.4	-178.2	31.7	-37.7	0	0	0	112.6	E25	E25-P27 WeakPolarHBondContact O-CD 3.3Å
28	I	91.5	Very high	79.9	Confident	99 Å²	99	92.9 Å²	92.9	51%	0.508	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-27.5	174.6	-52.5	-56.3	0	0	0	111.2	D26 R94	D26-I28 PolarHBondContact O-N 3.02Å; D26-I28 VanDerWaalsContact OD1-CB 3.3Å; D26-I28 WeakPolarHBondContact OD1-CB 3.12Å; D26-I28 PolarHBondContact OD1-N 2.96Å; I28-R94 VanDerWaalsContact O-CZ 3.3Å; I28-R94 PolarHBondContact O-NE 3.4Å; I28-R94 PolarHBondContact O-NH2 3.41Å
29	A	93.3	Very high	81.6	Confident	37 Å²	37	86.3 Å²	86.3	31%	0.306	46%	0.46	S	S	.	.	S	Bend	trans	-62.8	151.4	-178.8	0	0	0	0	0	111.9	D26 R94	D26-A29 HydrophobicContact CB-CB 3.92Å; D26-A29 PolarHBondContact O-N 3.03Å; A29-R94 WeakPolarHBondContact CA-O 3.48Å
30	L	96.4	Very high	84.1	Confident	12 Å²	12	83 Å²	83	6%	0.063	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-74.9	145	174	-64	170.5	0	0	0	110.5	V34 E35 L38 F90 V91 R94 S96 D147 T150	L30-V34 HydrophobicContact CD2-CG1 4.05Å; L30-E35 HydrophobicContact CB-CB 4.1Å; L30-E35 HydrophobicContact CD1-CB 4.24Å; L30-L38 HydrophobicContact CD1-CD1 3.48Å; L30-L38 VanDerWaalsContact CD1-CD1 3.48Å; L30-L38 HydrophobicContact CD2-CD1 4.02Å; L30-L38 HydrophobicContact CG-CD1 4.41Å; L30-F90 HydrophobicContact CD2-CE1 4.36Å; L30-V91 HydrophobicContact CD1-CG2 4.42Å; L30-R94 HydrophobicContact CD1-CB 4.02Å; L30-R94 HydrophobicContact CD2-CB 4.01Å; L30-R94 HydrophobicContact CD2-CG 4.04Å; L30-R94 HydrophobicContact CG-CB 3.62Å; L30-R94 HydrophobicContact CG-CG 4.2Å; L30-S96 WeakPolarHBondContact CB-OG 3.19Å; L30-D147 WeakPolarHBondContact CD2-OD2 3.32Å; L30-T150 WeakPolarHBondContact CD2-OG1 3.28Å
31	D	96	Very high	86.1	Confident	61 Å²	61	76.6 Å²	76.6	33%	0.326	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-63.6	142.1	161.3	179.2	-91.5	0	0	0	109.7	Q33 V34 E35 M145	D31-Q33 PolarHBondContact O-N 3.36Å; D31-Q33 VanDerWaalsContact O-N 3.1Å; D31-Q33 VanDerWaalsContact OD1-CB 3.29Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.3Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.38Å; D31-Q33 PolarHBondContact OD1-N 2.99Å; D31-V34 HydrophobicContact CB-CB 4.5Å; D31-V34 HydrophobicContact CB-CG2 4.19Å; D31-V34 WeakPolarHBondContact O-CA 3.44Å; D31-V34 WeakPolarHBondContact O-CB 3.48Å; D31-V34 PolarHBondContact O-N 3.09Å; D31-E35 PolarHBondContact O-N 2.71Å; D31-M145 HydrophobicContact CB-CB 4.36Å; D31-M145 HydrophobicContact CB-CE 4.24Å; D31-M145 HydrophobicContact CB-CG 4.39Å; D31-M145 WeakPolarHBondContact OD2-CE 3.21Å
32	N	96.4	Very high	88.9	Confident	131 Å²	131	68.1 Å²	68.1	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-53.5	-35.1	-177.2	-70	-30.5	0	0	0	113.3	E36	N32-E36 WeakPolarHBondContact O-CB 3.49Å; N32-E36 PolarHBondContact O-N 3.47Å
33	Q	97.8	Very high	91.1	Very high	91 Å²	91	67.1 Å²	67.1	43%	0.425	36%	0.357	S	S	.	.	H	α-helix	trans	-70.7	-38.1	178.2	-57.7	-171	-20.7	0	0	111.4	D31 G37 L141	D31-Q33 PolarHBondContact O-N 3.36Å; D31-Q33 VanDerWaalsContact O-N 3.1Å; D31-Q33 VanDerWaalsContact OD1-CB 3.29Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.3Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.38Å; D31-Q33 PolarHBondContact OD1-N 2.99Å; Q33-G37 PolarHBondContact O-N 3.49Å; Q33-L141 HydrophobicContact CB-CD1 4.13Å; Q33-L141 HydrophobicContact CB-CD2 4.09Å; Q33-L141 HydrophobicContact CB-CG 4.47Å; Q33-L141 WeakPolarHBondContact O-CD2 3.48Å
34	V	98.2	Very high	93.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-41.1	177.2	-178.8	0	0	0	0	110.2	L30 D31 G37 L38 L141 M145 T150	L30-V34 HydrophobicContact CD2-CG1 4.05Å; D31-V34 HydrophobicContact CB-CB 4.5Å; D31-V34 HydrophobicContact CB-CG2 4.19Å; D31-V34 WeakPolarHBondContact O-CA 3.44Å; D31-V34 WeakPolarHBondContact O-CB 3.48Å; D31-V34 PolarHBondContact O-N 3.09Å; V34-G37 PolarHBondContact O-N 3.07Å; V34-L38 HydrophobicContact CG1-CD1 3.92Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CB 3.43Å; V34-L38 WeakPolarHBondContact O-CG 3.45Å; V34-L38 PolarHBondContact O-N 3.26Å; V34-L141 HydrophobicContact CG2-CG 4.32Å; V34-M145 HydrophobicContact CG2-CB 4.13Å; V34-M145 HydrophobicContact CG2-CG 4.03Å; V34-T150 HydrophobicContact CG1-CG2 3.75Å
35	E	98.2	Very high	94.8	Very high	38 Å²	38	51.7 Å²	51.7	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-45.3	173.3	176.8	171.5	172.5	0	0	112	L30 D31 L38 N39 S96 K97	L30-E35 HydrophobicContact CB-CB 4.1Å; L30-E35 HydrophobicContact CD1-CB 4.24Å; D31-E35 PolarHBondContact O-N 2.71Å; E35-L38 PolarHBondContact O-N 2.87Å; E35-N39 WeakPolarHBondContact O-CB 3.21Å; E35-N39 PolarHBondContact O-N 3.03Å; E35-N39 PolarHBondContact O-ND2 3.2Å; E35-S96 WeakPolarHBondContact OE2-CB 3.28Å; E35-S96 PolarHBondContact OE2-OG 3.36Å; E35-K97 PolarHBondContact OE1-N 2.82Å
36	E	98	Very high	96	Very high	120 Å²	120	45.3 Å²	45.3	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-61.1	-47.5	176	-177.1	172.9	-162.6	0	0	111	N32 L38 N39 D40	N32-E36 WeakPolarHBondContact O-CB 3.49Å; N32-E36 PolarHBondContact O-N 3.47Å; E36-L38 PolarHBondContact O-N 3.18Å; E36-N39 WeakPolarHBondContact O-CB 3.34Å; E36-N39 PolarHBondContact O-N 3.41Å; E36-D40 PolarHBondContact O-N 2.98Å
37	G	98.4	Very high	96.6	Very high	17 Å²	17	44.2 Å²	44.2	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-35.4	179	0	0	0	0	0	113.9	Q33 V34 D40 Q41	Q33-G37 PolarHBondContact O-N 3.49Å; V34-G37 PolarHBondContact O-N 3.07Å; G37-D40 PolarHBondContact O-N 3.06Å; G37-Q41 PolarHBondContact O-N 3.17Å
38	L	98.7	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-39.8	172.4	-77	162.2	0	0	0	111.5	L30 V34 E35 E36 D40 Q41 I42 F87 F90 V91 L138 T150 F153	L30-L38 HydrophobicContact CD1-CD1 3.48Å; L30-L38 VanDerWaalsContact CD1-CD1 3.48Å; L30-L38 HydrophobicContact CD2-CD1 4.02Å; L30-L38 HydrophobicContact CG-CD1 4.41Å; V34-L38 HydrophobicContact CG1-CD1 3.92Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CB 3.43Å; V34-L38 WeakPolarHBondContact O-CG 3.45Å; V34-L38 PolarHBondContact O-N 3.26Å; E35-L38 PolarHBondContact O-N 2.87Å; E36-L38 PolarHBondContact O-N 3.18Å; L38-D40 VanDerWaalsContact C-N 3.33Å; L38-Q41 PolarHBondContact O-N 3.19Å; L38-I42 VanDerWaalsContact O-CG1 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.49Å; L38-I42 PolarHBondContact O-N 2.71Å; L38-F87 HydrophobicContact CD2-CD1 3.7Å; L38-F87 HydrophobicContact CD2-CE1 3.97Å; L38-F90 HydrophobicContact CD1-CD1 4.05Å; L38-F90 HydrophobicContact CD1-CE1 4Å; L38-F90 HydrophobicContact CD2-CD1 4.24Å; L38-V91 HydrophobicContact CB-CG2 3.56Å; L38-V91 HydrophobicContact CD1-CG2 3.97Å; L38-V91 HydrophobicContact CG-CG2 4.26Å; L38-L138 HydrophobicContact CD2-CD2 3.77Å; L38-L138 HydrophobicContact CG-CD2 4Å; L38-T150 HydrophobicContact CD1-CG2 4.31Å; L38-F153 HydrophobicContact CD2-CE1 4.35Å
39	N	98.6	Very high	97.5	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-37.5	174.1	-85.6	-72.1	0	0	0	112.6	E35 E36 I42 L43 K97 V98 V99	E35-N39 WeakPolarHBondContact O-CB 3.21Å; E35-N39 PolarHBondContact O-N 3.03Å; E35-N39 PolarHBondContact O-ND2 3.2Å; E36-N39 WeakPolarHBondContact O-CB 3.34Å; E36-N39 PolarHBondContact O-N 3.41Å; N39-I42 PolarHBondContact O-N 3.35Å; N39-L43 PolarHBondContact O-N 3.27Å; N39-L43 VanDerWaalsContact O-N 3.13Å; N39-K97 PolarHBondContact ND2-O 3.2Å; N39-K97 PolarHBondContact OD1-O 3.38Å; N39-V98 WeakPolarHBondContact OD1-CA 3.45Å; N39-V99 PolarHBondContact OD1-N 2.66Å
40	D	98	Very high	97.6	Very high	69 Å²	69	39.5 Å²	39.5	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-40.5	171.6	-75.1	-17.7	0	0	0	111.6	E36 G37 L38 L43 N44 K101	E36-D40 PolarHBondContact O-N 2.98Å; G37-D40 PolarHBondContact O-N 3.06Å; L38-D40 VanDerWaalsContact C-N 3.33Å; D40-L43 WeakPolarHBondContact O-CB 3.47Å; D40-L43 PolarHBondContact O-N 2.59Å; D40-N44 WeakPolarHBondContact O-CB 3.42Å; D40-N44 PolarHBondContact O-N 3.43Å; D40-K101 IonicContact OD1-NZ 3.79Å; D40-K101 PolarHBondContact OD1-NZ 3.31Å
41	Q	98.5	Very high	97.7	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-40.7	175.4	-171.9	59.6	27.4	0	0	111.9	G37 L38 L43 N44 E45 F87 H134 I135 L138	G37-Q41 PolarHBondContact O-N 3.17Å; L38-Q41 PolarHBondContact O-N 3.19Å; Q41-L43 VanDerWaalsContact C-N 3.29Å; Q41-L43 PolarHBondContact O-N 3.04Å; Q41-N44 WeakPolarHBondContact O-CA 3.26Å; Q41-N44 VanDerWaalsContact O-CB 3.28Å; Q41-N44 WeakPolarHBondContact O-CB 3.46Å; Q41-N44 PolarHBondContact O-N 3.49Å; Q41-N44 PolarHBondContact OE1-ND2 3.34Å; Q41-E45 PolarHBondContact NE2-OE1 2.96Å; Q41-E45 WeakPolarHBondContact O-CG 3.47Å; Q41-E45 PolarHBondContact O-N 2.95Å; Q41-F87 HydrophobicContact CB-CD1 4.41Å; Q41-F87 HydrophobicContact CB-CE1 4.25Å; Q41-F87 HydrophobicContact CG-CD1 4.06Å; Q41-F87 HydrophobicContact CG-CD2 4.26Å; Q41-F87 HydrophobicContact CG-CE1 3.6Å; Q41-F87 HydrophobicContact CG-CE2 3.84Å; Q41-F87 HydrophobicContact CG-CG 4.39Å; Q41-F87 HydrophobicContact CG-CZ 3.51Å; Q41-H134 VanDerWaalsContact OE1-CB 3.23Å; Q41-I135 HydrophobicContact CG-CG1 4.34Å; Q41-L138 HydrophobicContact CB-CD2 4.2Å
42	I	98.5	Very high	97.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-55.6	-46.2	173.3	-69.6	164.5	0	0	0	110.7	L38 N39 N44 E45 Y46 F87 V91 V98 L100	L38-I42 VanDerWaalsContact O-CG1 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.49Å; L38-I42 PolarHBondContact O-N 2.71Å; N39-I42 PolarHBondContact O-N 3.35Å; I42-N44 VanDerWaalsContact C-N 3.3Å; I42-N44 PolarHBondContact O-N 3.23Å; I42-E45 PolarHBondContact O-N 3.09Å; I42-Y46 HydrophobicContact CG2-CD2 3.76Å; I42-Y46 HydrophobicContact CG2-CE2 3.56Å; I42-Y46 WeakPolarHBondContact O-CD2 3.17Å; I42-Y46 PolarHBondContact O-N 3.16Å; I42-Y46 VanDerWaalsContact O-N 3.13Å; I42-F87 HydrophobicContact CD1-CB 4.26Å; I42-F87 HydrophobicContact CG1-CB 3.47Å; I42-F87 VanDerWaalsContact CG1-CB 3.47Å; I42-F87 HydrophobicContact CG1-CG 4.48Å; I42-V91 HydrophobicContact CD1-CG2 4.06Å; I42-V98 HydrophobicContact CD1-CG1 4.05Å; I42-V98 HydrophobicContact CD1-CG2 4.04Å; I42-L100 HydrophobicContact CG2-CD2 4Å
43	L	97	Very high	97.8	Very high	30 Å²	30	32 Å²	32	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.2	176.3	65	0	0	0	110.8	N39 D40 Q41 E45 Y46 E47 K101 I103	N39-L43 PolarHBondContact O-N 3.27Å; N39-L43 VanDerWaalsContact O-N 3.13Å; D40-L43 WeakPolarHBondContact O-CB 3.47Å; D40-L43 PolarHBondContact O-N 2.59Å; Q41-L43 VanDerWaalsContact C-N 3.29Å; Q41-L43 PolarHBondContact O-N 3.04Å; L43-E45 VanDerWaalsContact C-N 3.34Å; L43-E45 PolarHBondContact O-N 2.88Å; L43-Y46 PolarHBondContact O-N 3.25Å; L43-E47 HydrophobicContact CD1-CG 4.29Å; L43-E47 HydrophobicContact CG-CG 4.33Å; L43-E47 WeakPolarHBondContact O-CG 3.29Å; L43-E47 PolarHBondContact O-N 3.42Å; L43-K101 HydrophobicContact CD1-CB 4.02Å; L43-K101 HydrophobicContact CD2-CB 3.9Å; L43-K101 HydrophobicContact CD2-CD 4.04Å; L43-K101 HydrophobicContact CG-CB 4.42Å; L43-I103 HydrophobicContact CD1-CG1 3.83Å
44	N	96.9	Very high	97.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-40.7	-178.3	-164.1	21.7	0	0	0	112.9	D40 Q41 I42 E47 A48 K127 E130 V131 H134	D40-N44 WeakPolarHBondContact O-CB 3.42Å; D40-N44 PolarHBondContact O-N 3.43Å; Q41-N44 WeakPolarHBondContact O-CA 3.26Å; Q41-N44 VanDerWaalsContact O-CB 3.28Å; Q41-N44 WeakPolarHBondContact O-CB 3.46Å; Q41-N44 PolarHBondContact O-N 3.49Å; Q41-N44 PolarHBondContact OE1-ND2 3.34Å; I42-N44 VanDerWaalsContact C-N 3.3Å; I42-N44 PolarHBondContact O-N 3.23Å; N44-E47 WeakPolarHBondContact O-CB 3.29Å; N44-E47 PolarHBondContact O-N 2.82Å; N44-A48 PolarHBondContact O-N 3.38Å; N44-K127 WeakPolarHBondContact OD1-CE 3.37Å; N44-K127 PolarHBondContact OD1-NZ 3.24Å; N44-E130 PolarHBondContact OD1-OE1 3.1Å; N44-V131 WeakPolarHBondContact ND2-CA 3.44Å; N44-H134 PolarHBondContact ND2-ND1 2.99Å
45	E	98.3	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.7	-42.8	174.6	-58.7	-53.5	172	0	0	111.7	Q41 I42 L43 E47 A48 F49 H83 A84 F87	Q41-E45 PolarHBondContact NE2-OE1 2.96Å; Q41-E45 WeakPolarHBondContact O-CG 3.47Å; Q41-E45 PolarHBondContact O-N 2.95Å; I42-E45 PolarHBondContact O-N 3.09Å; L43-E45 VanDerWaalsContact C-N 3.34Å; L43-E45 PolarHBondContact O-N 2.88Å; E45-E47 VanDerWaalsContact C-N 3.31Å; E45-E47 PolarHBondContact O-N 3.28Å; E45-A48 WeakPolarHBondContact O-CB 3.49Å; E45-A48 PolarHBondContact O-N 3.02Å; E45-F49 PolarHBondContact O-N 3.12Å; E45-H83 HydrophobicContact CB-CB 4.38Å; E45-H83 HydrophobicContact CG-CB 3.94Å; E45-A84 HydrophobicContact CB-CB 3.62Å; E45-A84 HydrophobicContact CG-CB 4.49Å; E45-F87 HydrophobicContact CG-CD2 3.93Å; E45-F87 HydrophobicContact CG-CE2 4.14Å; E45-F87 WeakPolarHBondContact OE1-CE2 3.5Å
46	Y	97.9	Very high	97.7	Very high	47 Å²	47	27.7 Å²	27.7	18%	0.184	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-37.7	174	-79.1	-62.6	0	0	0	112.1	I42 L43 F49 Y50 L81 A84 L100	I42-Y46 HydrophobicContact CG2-CD2 3.76Å; I42-Y46 HydrophobicContact CG2-CE2 3.56Å; I42-Y46 WeakPolarHBondContact O-CD2 3.17Å; I42-Y46 PolarHBondContact O-N 3.16Å; I42-Y46 VanDerWaalsContact O-N 3.13Å; L43-Y46 PolarHBondContact O-N 3.25Å; Y46-F49 WeakPolarHBondContact O-CB 3.43Å; Y46-F49 PolarHBondContact O-N 2.98Å; Y46-Y50 VanDerWaalsContact O-CD2 3.31Å; Y46-Y50 WeakPolarHBondContact O-CD2 3.47Å; Y46-Y50 PolarHBondContact O-N 2.98Å; Y46-L81 HydrophobicContact CD1-CD1 4.04Å; Y46-L81 HydrophobicContact CE1-CD1 3.5Å; Y46-L81 VanDerWaalsContact CE1-CD1 3.5Å; Y46-A84 HydrophobicContact CD1-CB 3.98Å; Y46-A84 HydrophobicContact CD2-CB 3.84Å; Y46-A84 HydrophobicContact CE1-CB 3.88Å; Y46-A84 HydrophobicContact CE2-CB 3.71Å; Y46-A84 HydrophobicContact CG-CB 3.95Å; Y46-L100 HydrophobicContact CD2-CD2 4.3Å; Y46-L100 HydrophobicContact CE2-CD2 3.69Å
47	E	96.7	Very high	97.7	Very high	44 Å²	44	25.3 Å²	25.3	21%	0.206	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-43.5	173	-74.8	-176.7	157	0	0	111.5	L43 N44 E45 Y50 I51 I103 K127	L43-E47 HydrophobicContact CD1-CG 4.29Å; L43-E47 HydrophobicContact CG-CG 4.33Å; L43-E47 WeakPolarHBondContact O-CG 3.29Å; L43-E47 PolarHBondContact O-N 3.42Å; N44-E47 WeakPolarHBondContact O-CB 3.29Å; N44-E47 PolarHBondContact O-N 2.82Å; E45-E47 VanDerWaalsContact C-N 3.31Å; E45-E47 PolarHBondContact O-N 3.28Å; E47-Y50 PolarHBondContact O-N 2.86Å; E47-I51 WeakPolarHBondContact O-CB 3.48Å; E47-I51 WeakPolarHBondContact O-CD1 3.41Å; E47-I51 WeakPolarHBondContact O-CG1 3.3Å; E47-I51 PolarHBondContact O-N 3.46Å; E47-I103 HydrophobicContact CG-CG1 4.38Å; E47-I103 HydrophobicContact CG-CG2 4.15Å; E47-K127 IonicContact OE2-NZ 3.07Å
48	A	97.1	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-46.4	175.1	0	0	0	0	0	111.6	N44 E45 Y50 I51 Y52 E80 K127 V131	N44-A48 PolarHBondContact O-N 3.38Å; E45-A48 WeakPolarHBondContact O-CB 3.49Å; E45-A48 PolarHBondContact O-N 3.02Å; A48-Y50 PolarHBondContact O-N 2.77Å; A48-I51 PolarHBondContact O-N 3.04Å; A48-Y52 PolarHBondContact O-N 3.17Å; A48-E80 HydrophobicContact CB-CB 4.25Å; A48-E80 HydrophobicContact CB-CG 3.92Å; A48-K127 HydrophobicContact CB-CG 4Å; A48-V131 HydrophobicContact CB-CG2 4.48Å
49	F	97.8	Very high	97.6	Very high	36 Å²	36	25.7 Å²	25.7	16%	0.158	13%	0.125	C	C	.	.	H	α-helix	trans	-52.8	-51.4	171.7	160.2	-111.1	0	0	0	112.1	E45 Y46 I51 Y52 D53 A77 E80 L81	E45-F49 PolarHBondContact O-N 3.12Å; Y46-F49 WeakPolarHBondContact O-CB 3.43Å; Y46-F49 PolarHBondContact O-N 2.98Å; F49-I51 VanDerWaalsContact C-N 3.32Å; F49-I51 PolarHBondContact O-N 3.08Å; F49-Y52 PolarHBondContact O-N 2.89Å; F49-D53 PolarHBondContact O-N 3.09Å; F49-A77 HydrophobicContact CD2-CB 3.91Å; F49-A77 VanDerWaalsContact CD2-O 3.25Å; F49-A77 WeakPolarHBondContact CD2-O 3.45Å; F49-A77 HydrophobicContact CE2-CB 4.28Å; F49-E80 HydrophobicContact CB-CB 4.07Å; F49-L81 HydrophobicContact CD2-CB 4.16Å; F49-L81 HydrophobicContact CG-CB 4.33Å
50	Y	96.8	Very high	97.5	Very high	118 Å²	118	28.5 Å²	28.5	46%	0.463	15%	0.146	S	C	.	.	H	α-helix	trans	-62.8	-38	179.9	-94.3	-101.6	0	0	0	112.7	Y46 E47 A48 D53 H54 I103	Y46-Y50 VanDerWaalsContact O-CD2 3.31Å; Y46-Y50 WeakPolarHBondContact O-CD2 3.47Å; Y46-Y50 PolarHBondContact O-N 2.98Å; E47-Y50 PolarHBondContact O-N 2.86Å; A48-Y50 PolarHBondContact O-N 2.77Å; Y50-D53 PolarHBondContact O-N 3.34Å; Y50-H54 WeakPolarHBondContact O-CB 3.3Å; Y50-H54 PolarHBondContact O-N 2.99Å; Y50-I103 HydrophobicContact CD1-CG2 4.2Å; Y50-I103 HydrophobicContact CD2-CD1 3.55Å; Y50-I103 HydrophobicContact CD2-CG2 4.11Å; Y50-I103 HydrophobicContact CE2-CD1 3.42Å; Y50-I103 VanDerWaalsContact CE2-CD1 3.42Å; Y50-I103 HydrophobicContact CG-CD1 4.41Å; Y50-I103 HydrophobicContact CG-CG2 3.89Å
51	I	97.3	Very high	97.5	Very high	3 Å²	3	30 Å²	30	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-45.4	176.5	-70.7	167.2	0	0	0	110.2	E47 A48 F49 H54 M55 L105 V110 T123 K127	E47-I51 WeakPolarHBondContact O-CB 3.48Å; E47-I51 WeakPolarHBondContact O-CD1 3.41Å; E47-I51 WeakPolarHBondContact O-CG1 3.3Å; E47-I51 PolarHBondContact O-N 3.46Å; A48-I51 PolarHBondContact O-N 3.04Å; F49-I51 VanDerWaalsContact C-N 3.32Å; F49-I51 PolarHBondContact O-N 3.08Å; I51-H54 WeakPolarHBondContact O-CB 3.47Å; I51-H54 PolarHBondContact O-N 2.9Å; I51-M55 HydrophobicContact CG2-CE 3.49Å; I51-M55 VanDerWaalsContact CG2-CE 3.49Å; I51-M55 HydrophobicContact CG2-SD 4.44Å; I51-M55 WeakPolarHBondContact O-CG 3.43Å; I51-M55 PolarHBondContact O-N 2.99Å; I51-L105 HydrophobicContact CB-CD1 4.45Å; I51-L105 HydrophobicContact CD1-CD1 4.5Å; I51-L105 HydrophobicContact CG1-CD1 3.46Å; I51-L105 VanDerWaalsContact CG1-CD1 3.46Å; I51-V110 HydrophobicContact CD1-CG2 3.82Å; I51-V110 HydrophobicContact CG1-CG2 3.91Å; I51-V110 HydrophobicContact CG2-CG1 4.44Å; I51-V110 HydrophobicContact CG2-CG2 4.03Å; I51-T123 HydrophobicContact CG2-CG2 4.35Å; I51-K127 HydrophobicContact CD1-CD 3.74Å; I51-K127 HydrophobicContact CD1-CG 4.05Å
52	Y	97.9	Very high	97.5	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-40.6	177.1	-74	-4	0	0	0	112	A48 F49 H54 M55 V56 F73 E80 A124 E128	A48-Y52 PolarHBondContact O-N 3.17Å; F49-Y52 PolarHBondContact O-N 2.89Å; Y52-H54 VanDerWaalsContact C-N 3.28Å; Y52-H54 PolarHBondContact O-N 3.44Å; Y52-M55 HydrophobicContact CD1-CE 4.03Å; Y52-M55 HydrophobicContact CD1-SD 3.5Å; Y52-M55 VanDerWaalsContact CD1-SD 3.5Å; Y52-M55 HydrophobicContact CE1-CE 4.15Å; Y52-M55 HydrophobicContact CE1-SD 3.95Å; Y52-M55 WeakPolarHBondContact O-CB 3.4Å; Y52-M55 PolarHBondContact O-N 2.86Å; Y52-M55 VanDerWaalsContact O-N 3.12Å; Y52-V56 VanDerWaalsContact O-CG2 3.29Å; Y52-V56 WeakPolarHBondContact O-CG2 3.47Å; Y52-V56 PolarHBondContact O-N 3.45Å; Y52-F73 HydrophobicContact CD1-CD1 4.18Å; Y52-F73 HydrophobicContact CD1-CE1 4.42Å; Y52-F73 HydrophobicContact CE1-CD1 4.37Å; Y52-F73 HydrophobicContact CE1-CE1 4.21Å; Y52-F73 HydrophobicContact CG-CD1 4.33Å; Y52-E80 HydrophobicContact CD2-CG 3.84Å; Y52-E80 HydrophobicContact CE2-CG 3.86Å; Y52-A124 HydrophobicContact CE1-CB 3.7Å; Y52-E128 WeakPolarHBondContact OH-CG 3.49Å; Y52-E128 PolarHBondContact OH-OE1 3.48Å
53	D	97.2	Very high	97.4	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-31.6	175.5	-116.4	37.2	0	0	0	112.5	F49 Y50 V56 S57 R74	F49-D53 PolarHBondContact O-N 3.09Å; Y50-D53 PolarHBondContact O-N 3.34Å; D53-V56 PolarHBondContact O-N 3.07Å; D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.98Å; D53-S57 PolarHBondContact O-OG 3.03Å; D53-R74 IonicContact OD1-CZ 3.58Å; D53-R74 VanDerWaalsContact OD1-CZ 3.29Å; D53-R74 IonicContact OD1-NE 3.73Å; D53-R74 IonicContact OD1-NH1 3.9Å; D53-R74 PolarHBondContact OD1-NH1 3.3Å; D53-R74 IonicContact OD1-NH2 3.6Å; D53-R74 IonicContact OD2-CZ 3.58Å; D53-R74 IonicContact OD2-NH1 2.83Å; D53-R74 PolarHBondContact OD2-NH1 3.13Å
54	H	96.7	Very high	97.4	Very high	36 Å²	36	42 Å²	42	17%	0.167	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-43	170	178.9	59.5	0	0	0	111.9	Y50 I51 Y52 V56 S57 Y58 L105 P111 M112 F114	Y50-H54 WeakPolarHBondContact O-CB 3.3Å; Y50-H54 PolarHBondContact O-N 2.99Å; I51-H54 WeakPolarHBondContact O-CB 3.47Å; I51-H54 PolarHBondContact O-N 2.9Å; Y52-H54 VanDerWaalsContact C-N 3.28Å; Y52-H54 PolarHBondContact O-N 3.44Å; H54-V56 PolarHBondContact O-N 3.36Å; H54-S57 WeakPolarHBondContact O-CB 3.42Å; H54-S57 PolarHBondContact O-N 2.98Å; H54-Y58 PolarHBondContact O-N 3.47Å; H54-Y58 VanDerWaalsContact O-N 3.13Å; H54-L105 HydrophobicContact CB-CD2 3.95Å; H54-P111 PolarHBondContact NE2-O 2.9Å; H54-M112 PolarHBondContact CE1-O 2.87Å; H54-M112 VanDerWaalsContact CE1-O 3.28Å; H54-M112 PolarHBondContact NE2-O 2.92Å; H54-F114 AromaticContact CD2-CE2 3.48Å; H54-F114 VanDerWaalsContact CD2-CE2 3.48Å; H54-F114 WeakPolarHBondContact CD2-CE2 3.5Å; H54-F114 AromaticContact CD2-CZ 4Å; H54-F114 AromaticContact NE2-CE2 3.64Å
55	M	98	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-44.4	172.7	-65.3	168.3	-179	0	0	111.7	I51 Y52 S57 Y58 L59 F73 F114 V120 T123 A124	I51-M55 HydrophobicContact CG2-CE 3.49Å; I51-M55 VanDerWaalsContact CG2-CE 3.49Å; I51-M55 HydrophobicContact CG2-SD 4.44Å; I51-M55 WeakPolarHBondContact O-CG 3.43Å; I51-M55 PolarHBondContact O-N 2.99Å; Y52-M55 HydrophobicContact CD1-CE 4.03Å; Y52-M55 HydrophobicContact CD1-SD 3.5Å; Y52-M55 VanDerWaalsContact CD1-SD 3.5Å; Y52-M55 HydrophobicContact CE1-CE 4.15Å; Y52-M55 HydrophobicContact CE1-SD 3.95Å; Y52-M55 WeakPolarHBondContact O-CB 3.4Å; Y52-M55 PolarHBondContact O-N 2.86Å; Y52-M55 VanDerWaalsContact O-N 3.12Å; M55-S57 VanDerWaalsContact C-N 3.29Å; M55-S57 PolarHBondContact O-N 3.1Å; M55-Y58 WeakPolarHBondContact O-CB 3.42Å; M55-Y58 PolarHBondContact O-N 3.41Å; M55-L59 VanDerWaalsContact O-CG 3.28Å; M55-L59 WeakPolarHBondContact O-CG 3.34Å; M55-L59 PolarHBondContact O-N 2.74Å; M55-F73 HydrophobicContact SD-CD1 3.98Å; M55-F73 HydrophobicContact SD-CE1 3.9Å; M55-F114 HydrophobicContact CB-CE2 4.45Å; M55-F114 HydrophobicContact CE-CZ 4.5Å; M55-F114 HydrophobicContact CG-CE2 3.91Å; M55-F114 HydrophobicContact CG-CZ 3.7Å; M55-V120 HydrophobicContact CB-CG1 3.88Å; M55-V120 HydrophobicContact CG-CG1 3.81Å; M55-V120 HydrophobicContact SD-CG1 3.81Å; M55-T123 HydrophobicContact CE-CG2 3.38Å; M55-A124 HydrophobicContact CE-CB 4Å; M55-A124 HydrophobicContact SD-CB 4.3Å
56	V	98	Very high	97.3	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-41.6	176.6	174.9	0	0	0	0	110.9	Y52 D53 H54 Y58 L59 S60 A70 F73 R74	Y52-V56 VanDerWaalsContact O-CG2 3.29Å; Y52-V56 WeakPolarHBondContact O-CG2 3.47Å; Y52-V56 PolarHBondContact O-N 3.45Å; D53-V56 PolarHBondContact O-N 3.07Å; H54-V56 PolarHBondContact O-N 3.36Å; V56-Y58 VanDerWaalsContact C-N 3.29Å; V56-Y58 PolarHBondContact O-N 3.33Å; V56-L59 PolarHBondContact O-N 3.39Å; V56-S60 VanDerWaalsContact O-CB 3.24Å; V56-S60 WeakPolarHBondContact O-CB 3.17Å; V56-S60 PolarHBondContact O-N 3.17Å; V56-S60 PolarHBondContact O-OG 3.3Å; V56-A70 HydrophobicContact CG1-CB 4.37Å; V56-F73 VanDerWaalsContact CG2-C 3.43Å; V56-F73 HydrophobicContact CG2-CB 3.59Å; V56-R74 HydrophobicContact CG1-CB 4.39Å; V56-R74 HydrophobicContact CG2-CB 4.06Å; V56-R74 VanDerWaalsContact CG2-N 3.28Å
57	S	96.8	Very high	97.3	Very high	71 Å²	71	45.9 Å²	45.9	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-39.8	178.2	-62	0	0	0	0	111.7	D53 H54 M55 R61	D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.98Å; D53-S57 PolarHBondContact O-OG 3.03Å; H54-S57 WeakPolarHBondContact O-CB 3.42Å; H54-S57 PolarHBondContact O-N 2.98Å; M55-S57 VanDerWaalsContact C-N 3.29Å; M55-S57 PolarHBondContact O-N 3.1Å; S57-R61 WeakPolarHBondContact O-CG 3.48Å
58	Y	97.6	Very high	97.4	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-52.2	171.8	165	-104.4	0	0	0	112.4	H54 M55 V56 S60 R61 V64 F114 K115 N116 V120	H54-Y58 PolarHBondContact O-N 3.47Å; H54-Y58 VanDerWaalsContact O-N 3.13Å; M55-Y58 WeakPolarHBondContact O-CB 3.42Å; M55-Y58 PolarHBondContact O-N 3.41Å; V56-Y58 VanDerWaalsContact C-N 3.29Å; V56-Y58 PolarHBondContact O-N 3.33Å; Y58-S60 PolarHBondContact O-N 3.47Å; Y58-R61 WeakPolarHBondContact O-CB 3.44Å; Y58-R61 WeakPolarHBondContact O-CG 3.28Å; Y58-R61 PolarHBondContact O-N 3.04Å; Y58-R61 VanDerWaalsContact O-N 3.16Å; Y58-V64 HydrophobicContact CD2-CG2 3.94Å; Y58-V64 HydrophobicContact CE1-CG1 3.99Å; Y58-V64 HydrophobicContact CE1-CG2 4.46Å; Y58-V64 HydrophobicContact CE2-CG1 4.43Å; Y58-V64 HydrophobicContact CE2-CG2 3.46Å; Y58-V64 VanDerWaalsContact CE2-CG2 3.46Å; Y58-V64 WeakPolarHBondContact O-CG2 3.47Å; Y58-F114 HydrophobicContact CD1-CB 3.6Å; Y58-F114 AromaticContact CD1-CD2 4Å; Y58-F114 HydrophobicContact CD1-CD2 4Å; Y58-F114 HydrophobicContact CD1-CG 4.11Å; Y58-F114 HydrophobicContact CD2-CB 3.92Å; Y58-F114 HydrophobicContact CE1-CB 3.6Å; Y58-F114 HydrophobicContact CE1-CG 4.49Å; Y58-F114 HydrophobicContact CE2-CB 3.91Å; Y58-F114 WeakPolarHBondContact CE2-O 3.3Å; Y58-F114 HydrophobicContact CG-CB 3.77Å; Y58-F114 AromaticContact CG-CD2 3.87Å; Y58-F114 HydrophobicContact CG-CD2 3.87Å; Y58-F114 HydrophobicContact CG-CG 4.26Å; Y58-K115 PolarHBondContact OH-O 3.06Å; Y58-N116 VanDerWaalsContact OH-CA 3.23Å; Y58-N116 WeakPolarHBondContact OH-CA 3.32Å; Y58-N116 PolarHBondContact OH-N 3.03Å; Y58-N116 VanDerWaalsContact OH-N 3.12Å; Y58-V120 HydrophobicContact CD1-CG2 3.76Å; Y58-V120 HydrophobicContact CE1-CG2 3.86Å
59	L	97.9	Very high	97.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-27	-175	-68	167.6	0	0	0	113.3	M55 V56 R61 L66 F69 A70 F73 I117 V120	M55-L59 VanDerWaalsContact O-CG 3.28Å; M55-L59 WeakPolarHBondContact O-CG 3.34Å; M55-L59 PolarHBondContact O-N 2.74Å; V56-L59 PolarHBondContact O-N 3.39Å; L59-R61 VanDerWaalsContact C-N 3.3Å; L59-R61 PolarHBondContact O-N 3.45Å; L59-L66 HydrophobicContact CD2-CB 3.98Å; L59-L66 HydrophobicContact CD2-CD1 3.9Å; L59-L66 PolarHBondContact O-N 3.35Å; L59-F69 HydrophobicContact CD1-CB 3.95Å; L59-F69 HydrophobicContact CD2-CB 4.19Å; L59-A70 HydrophobicContact CB-CB 3.78Å; L59-F73 HydrophobicContact CD1-CB 4.44Å; L59-F73 HydrophobicContact CD1-CD2 3.58Å; L59-F73 HydrophobicContact CD1-CE2 4.28Å; L59-F73 HydrophobicContact CD1-CG 4.31Å; L59-I117 HydrophobicContact CD2-CD1 3.83Å; L59-V120 HydrophobicContact CD1-CG1 4.22Å; L59-V120 HydrophobicContact CD2-CG2 4.43Å
60	S	97.4	Very high	97.5	Very high	68 Å²	68	42.3 Å²	42.3	48%	0.476	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.5	179.8	-57	0	0	0	0	113.9	V56 Y58 A70	V56-S60 VanDerWaalsContact O-CB 3.24Å; V56-S60 WeakPolarHBondContact O-CB 3.17Å; V56-S60 PolarHBondContact O-N 3.17Å; V56-S60 PolarHBondContact O-OG 3.3Å; Y58-S60 PolarHBondContact O-N 3.47Å; S60-A70 WeakPolarHBondContact OG-CB 3.42Å
61	R	97.5	Very high	97.6	Very high	101 Å²	101	41 Å²	41	38%	0.381	24%	0.236	S	C	.	.	S	Bend	trans	-66.3	131.3	179.2	-73.6	168.9	67.2	176.1	-2.6	110.4	S57 Y58 L59 E63 V64 G65	S57-R61 WeakPolarHBondContact O-CG 3.48Å; Y58-R61 WeakPolarHBondContact O-CB 3.44Å; Y58-R61 WeakPolarHBondContact O-CG 3.28Å; Y58-R61 PolarHBondContact O-N 3.04Å; Y58-R61 VanDerWaalsContact O-N 3.16Å; L59-R61 VanDerWaalsContact C-N 3.3Å; L59-R61 PolarHBondContact O-N 3.45Å; R61-E63 HydrophobicContact CB-CG 4.35Å; R61-E63 WeakPolarHBondContact CB-OE2 3.43Å; R61-E63 IonicContact CZ-OE1 3.88Å; R61-E63 IonicContact NE-OE1 3.95Å; R61-E63 PolarHBondContact NE-OE1 3.02Å; R61-E63 IonicContact NH2-OE1 3.29Å; R61-E63 PolarHBondContact NH2-OE1 2.63Å; R61-E63 PolarHBondContact O-N 3.11Å; R61-E63 VanDerWaalsContact O-N 3.14Å; R61-V64 HydrophobicContact CB-CB 4.32Å; R61-V64 HydrophobicContact CB-CG2 3.96Å; R61-V64 PolarHBondContact O-N 2.9Å; R61-G65 PolarHBondContact O-N 3.23Å
62	P	97.2	Very high	97.7	Very high	121 Å²	121	41.5 Å²	41.5	79%	0.786	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.9	180	-28.5	35.9	0	0	0	114.7	V64	P62-V64 VanDerWaalsContact C-N 3.31Å
63	E	96.5	Very high	97.7	Very high	130 Å²	130	41.2 Å²	41.2	61%	0.607	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.4	177.1	66.4	-89.4	-147.9	0	0	114.1	R61	R61-E63 HydrophobicContact CB-CG 4.35Å; R61-E63 WeakPolarHBondContact CB-OE2 3.43Å; R61-E63 IonicContact CZ-OE1 3.88Å; R61-E63 IonicContact NE-OE1 3.95Å; R61-E63 PolarHBondContact NE-OE1 3.02Å; R61-E63 IonicContact NH2-OE1 3.29Å; R61-E63 PolarHBondContact NH2-OE1 2.63Å; R61-E63 PolarHBondContact O-N 3.11Å; R61-E63 VanDerWaalsContact O-N 3.14Å
64	V	96.9	Very high	97.8	Very high	34 Å²	34	44.1 Å²	44.1	21%	0.206	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-45.9	171.8	179.1	0	0	0	0	109.5	Y58 R61 P62 L66	Y58-V64 HydrophobicContact CD2-CG2 3.94Å; Y58-V64 HydrophobicContact CE1-CG1 3.99Å; Y58-V64 HydrophobicContact CE1-CG2 4.46Å; Y58-V64 HydrophobicContact CE2-CG1 4.43Å; Y58-V64 HydrophobicContact CE2-CG2 3.46Å; Y58-V64 VanDerWaalsContact CE2-CG2 3.46Å; Y58-V64 WeakPolarHBondContact O-CG2 3.47Å; R61-V64 HydrophobicContact CB-CB 4.32Å; R61-V64 HydrophobicContact CB-CG2 3.96Å; R61-V64 PolarHBondContact O-N 2.9Å; P62-V64 VanDerWaalsContact C-N 3.31Å; V64-L66 HydrophobicContact CG1-CB 4.24Å; V64-L66 HydrophobicContact CG1-CD1 3.93Å; V64-L66 HydrophobicContact CG1-CG 3.98Å; V64-L66 PolarHBondContact O-N 3.27Å
65	G	96	Very high	97.8	Very high	47 Å²	47	47.1 Å²	47.1	49%	0.485	26%	0.259	S	S	.	.			trans	70.4	28.1	169.5	0	0	0	0	0	115.3	R61	R61-G65 PolarHBondContact O-N 3.23Å
66	L	98	Very high	97.9	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.11	26%	0.262	C	S	.	.			trans	-110.6	56.7	-176.6	-63.5	178.2	0	0	0	112.1	L59 V64 G68 F69 A70 I117 V182 D186	L59-L66 HydrophobicContact CD2-CB 3.98Å; L59-L66 HydrophobicContact CD2-CD1 3.9Å; L59-L66 PolarHBondContact O-N 3.35Å; V64-L66 HydrophobicContact CG1-CB 4.24Å; V64-L66 HydrophobicContact CG1-CD1 3.93Å; V64-L66 HydrophobicContact CG1-CG 3.98Å; V64-L66 PolarHBondContact O-N 3.27Å; L66-G68 VanDerWaalsContact C-N 3.3Å; L66-G68 PolarHBondContact O-N 2.85Å; L66-F69 HydrophobicContact CB-CB 4.3Å; L66-F69 HydrophobicContact CB-CD2 4.26Å; L66-F69 HydrophobicContact CD2-CD2 4.31Å; L66-F69 PolarHBondContact O-N 3.2Å; L66-A70 PolarHBondContact O-N 2.96Å; L66-I117 HydrophobicContact CD1-CB 3.85Å; L66-I117 HydrophobicContact CD1-CG2 4.42Å; L66-V182 HydrophobicContact CD1-CG1 4.38Å; L66-V182 HydrophobicContact CD2-CG1 3.67Å; L66-D186 WeakPolarHBondContact CA-OD1 3.42Å; L66-D186 HydrophobicContact CD2-CB 4.16Å
67	S	98	Very high	97.9	Very high	63 Å²	63	47.5 Å²	47.5	44%	0.441	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-29.1	-174.5	59	0	0	0	0	114.8	A70 K71 D186	S67-A70 PolarHBondContact O-N 3.17Å; S67-K71 PolarHBondContact O-N 2.87Å; S67-D186 PolarHBondContact N-OD1 2.71Å
68	G	98.6	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-46.2	175.9	0	0	0	0	0	111	L66 A70 K71 F72 D186 F189	L66-G68 VanDerWaalsContact C-N 3.3Å; L66-G68 PolarHBondContact O-N 2.85Å; G68-A70 VanDerWaalsContact C-N 3.27Å; G68-A70 PolarHBondContact O-N 3.3Å; G68-K71 WeakPolarHBondContact O-CB 3.47Å; G68-K71 PolarHBondContact O-N 3.44Å; G68-K71 VanDerWaalsContact O-N 3.17Å; G68-F72 PolarHBondContact O-N 3.02Å; G68-D186 WeakPolarHBondContact CA-O 3.36Å; G68-D186 WeakPolarHBondContact CA-OD1 3.46Å; G68-D186 PolarHBondContact N-OD1 3.12Å; G68-F189 VanDerWaalsContact C-CB 3.41Å; G68-F189 WeakPolarHBondContact O-CB 3.42Å
69	F	98.6	Very high	98	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-38.1	171.3	-76.6	-79.8	0	0	0	112	L59 L66 K71 F72 F73 I117 M171 L175 M185 D186 F189	L59-F69 HydrophobicContact CD1-CB 3.95Å; L59-F69 HydrophobicContact CD2-CB 4.19Å; L66-F69 HydrophobicContact CB-CB 4.3Å; L66-F69 HydrophobicContact CB-CD2 4.26Å; L66-F69 HydrophobicContact CD2-CD2 4.31Å; L66-F69 PolarHBondContact O-N 3.2Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 3.02Å; F69-F72 WeakPolarHBondContact O-CB 3.47Å; F69-F72 PolarHBondContact O-N 3.23Å; F69-F73 WeakPolarHBondContact O-CD2 3.43Å; F69-F73 PolarHBondContact O-N 2.94Å; F69-I117 HydrophobicContact CB-CD1 4.07Å; F69-I117 HydrophobicContact CD1-CD1 3.51Å; F69-I117 HydrophobicContact CD1-CG1 4.05Å; F69-I117 HydrophobicContact CD2-CD1 4.21Å; F69-I117 HydrophobicContact CD2-CG1 4.34Å; F69-I117 HydrophobicContact CE1-CD1 3.89Å; F69-I117 HydrophobicContact CE1-CG1 3.92Å; F69-I117 HydrophobicContact CE2-CG1 4.24Å; F69-I117 HydrophobicContact CG-CD1 3.68Å; F69-I117 HydrophobicContact CG-CG1 4.24Å; F69-I117 HydrophobicContact CZ-CD1 4.41Å; F69-I117 HydrophobicContact CZ-CG1 4.04Å; F69-M171 HydrophobicContact CD1-SD 4.26Å; F69-M171 HydrophobicContact CE1-CG 4.34Å; F69-M171 HydrophobicContact CE1-SD 3.77Å; F69-L175 HydrophobicContact CZ-CD2 3.94Å; F69-M185 HydrophobicContact CE2-CB 4.09Å; F69-M185 HydrophobicContact CZ-CB 3.65Å; F69-M185 HydrophobicContact CZ-CE 4.39Å; F69-D186 HydrophobicContact CD2-CB 3.77Å; F69-D186 HydrophobicContact CE2-CB 3.86Å; F69-D186 PolarHBondContact N-OD1 3.49Å; F69-D186 VanDerWaalsContact N-OD1 3.11Å; F69-F189 AromaticContact CD1-CD2 3.86Å; F69-F189 HydrophobicContact CD1-CD2 3.86Å; F69-F189 AromaticContact CD1-CE2 3.77Å; F69-F189 HydrophobicContact CD1-CE2 3.77Å; F69-F189 AromaticContact CE1-CD2 3.94Å; F69-F189 HydrophobicContact CE1-CD2 3.94Å; F69-F189 AromaticContact CE1-CE2 3.47Å; F69-F189 HydrophobicContact CE1-CE2 3.47Å; F69-F189 VanDerWaalsContact CE1-CE2 3.47Å; F69-F189 HydrophobicContact CG-CD2 4.18Å; F69-F189 HydrophobicContact CZ-CD2 4.29Å; F69-F189 AromaticContact CZ-CE2 3.96Å; F69-F189 HydrophobicContact CZ-CE2 3.96Å
70	A	98.6	Very high	98.1	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-41.2	175.2	0	0	0	0	0	112.2	V56 L59 S60 L66 S67 G68 R74	V56-A70 HydrophobicContact CG1-CB 4.37Å; L59-A70 HydrophobicContact CB-CB 3.78Å; S60-A70 WeakPolarHBondContact OG-CB 3.42Å; L66-A70 PolarHBondContact O-N 2.96Å; S67-A70 PolarHBondContact O-N 3.17Å; G68-A70 VanDerWaalsContact C-N 3.27Å; G68-A70 PolarHBondContact O-N 3.3Å; A70-R74 VanDerWaalsContact O-CB 3.32Å; A70-R74 WeakPolarHBondContact O-CB 3.5Å; A70-R74 PolarHBondContact O-N 3.43Å
71	K	98.6	Very high	98.1	Very high	91 Å²	91	49.3 Å²	49.3	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-47.7	174.3	178.1	178.8	162.9	-142.5	0	111.5	S67 G68 F69 F73 R74 E75 F189 R190	S67-K71 PolarHBondContact O-N 2.87Å; G68-K71 WeakPolarHBondContact O-CB 3.47Å; G68-K71 PolarHBondContact O-N 3.44Å; G68-K71 VanDerWaalsContact O-N 3.17Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 3.02Å; K71-F73 PolarHBondContact O-N 3.43Å; K71-R74 WeakPolarHBondContact O-CB 3.36Å; K71-R74 PolarHBondContact O-N 3.02Å; K71-E75 VanDerWaalsContact CE-OE1 3.28Å; K71-E75 WeakPolarHBondContact CE-OE1 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.41Å; K71-E75 PolarHBondContact O-N 2.96Å; K71-F189 WeakPolarHBondContact CD-O 3.35Å; K71-F189 PolarHBondContact NZ-O 3.36Å; K71-R190 PolarHBondContact NZ-O 2.95Å
72	F	98.6	Very high	98.2	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.053	26%	0.261	C	S	.	.	H	α-helix	trans	-53.9	-52.9	176.2	175.3	-88.3	0	0	0	112	G68 F69 R74 E75 S76 K167 M171 F189	G68-F72 PolarHBondContact O-N 3.02Å; F69-F72 WeakPolarHBondContact O-CB 3.47Å; F69-F72 PolarHBondContact O-N 3.23Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 2.89Å; F72-E75 WeakPolarHBondContact O-CB 3.45Å; F72-E75 PolarHBondContact O-N 2.58Å; F72-S76 PolarHBondContact O-N 3.33Å; F72-S76 PolarHBondContact O-OG 3.09Å; F72-K167 VanDerWaalsContact CE2-CE 3.44Å; F72-K167 HydrophobicContact CZ-CD 4.32Å; F72-M171 HydrophobicContact CD1-CE 3.97Å; F72-M171 HydrophobicContact CD2-CE 4.26Å; F72-M171 HydrophobicContact CE1-CE 3.48Å; F72-M171 VanDerWaalsContact CE1-CE 3.48Å; F72-M171 HydrophobicContact CE2-CE 3.77Å; F72-M171 HydrophobicContact CG-CE 4.35Å; F72-M171 HydrophobicContact CZ-CE 3.36Å; F72-F189 HydrophobicContact CB-CB 4.35Å; F72-F189 HydrophobicContact CB-CD1 4.31Å; F72-F189 HydrophobicContact CB-CD2 4.35Å; F72-F189 HydrophobicContact CB-CG 4.1Å; F72-F189 AromaticContact CD2-CD1 3.92Å; F72-F189 HydrophobicContact CD2-CD1 3.92Å; F72-F189 AromaticContact CD2-CE1 3.77Å; F72-F189 HydrophobicContact CD2-CE1 3.77Å; F72-F189 HydrophobicContact CD2-CG 4.49Å; F72-F189 HydrophobicContact CD2-CZ 4.21Å; F72-F189 HydrophobicContact CE2-CE1 4.22Å; F72-F189 HydrophobicContact CG-CD1 4.44Å; F72-F189 HydrophobicContact CG-CE1 4.46Å
73	F	98.6	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-24.1	-178.7	-83.8	-73.5	0	0	0	113.1	Y52 M55 V56 L59 F69 K71 A77 I117 V120 I121 A124 L168	Y52-F73 HydrophobicContact CD1-CD1 4.18Å; Y52-F73 HydrophobicContact CD1-CE1 4.42Å; Y52-F73 HydrophobicContact CE1-CD1 4.37Å; Y52-F73 HydrophobicContact CE1-CE1 4.21Å; Y52-F73 HydrophobicContact CG-CD1 4.33Å; M55-F73 HydrophobicContact SD-CD1 3.98Å; M55-F73 HydrophobicContact SD-CE1 3.9Å; V56-F73 VanDerWaalsContact CG2-C 3.43Å; V56-F73 HydrophobicContact CG2-CB 3.59Å; L59-F73 HydrophobicContact CD1-CB 4.44Å; L59-F73 HydrophobicContact CD1-CD2 3.58Å; L59-F73 HydrophobicContact CD1-CE2 4.28Å; L59-F73 HydrophobicContact CD1-CG 4.31Å; F69-F73 WeakPolarHBondContact O-CD2 3.43Å; F69-F73 PolarHBondContact O-N 2.94Å; K71-F73 PolarHBondContact O-N 3.43Å; F73-A77 WeakPolarHBondContact O-CB 3.45Å; F73-A77 PolarHBondContact O-N 3.06Å; F73-I117 HydrophobicContact CE2-CD1 4.48Å; F73-V120 HydrophobicContact CD2-CG1 4.26Å; F73-V120 HydrophobicContact CE1-CG1 4.5Å; F73-V120 HydrophobicContact CE2-CG1 3.75Å; F73-V120 HydrophobicContact CZ-CG1 3.89Å; F73-I121 HydrophobicContact CE2-CD1 3.57Å; F73-I121 HydrophobicContact CZ-CD1 3.44Å; F73-I121 VanDerWaalsContact CZ-CD1 3.44Å; F73-A124 HydrophobicContact CE1-CB 3.8Å; F73-A124 HydrophobicContact CZ-CB 4.17Å; F73-L168 HydrophobicContact CZ-CD2 4.49Å
74	R	98.7	Very high	98.3	Very high	98 Å²	98	37.7 Å²	37.7	37%	0.37	20%	0.198	S	C	.	.	H	α-helix	trans	-68.3	-41.4	171.4	179.3	65.6	68	170.3	-4	111.3	D53 V56 A70 K71 F72 A77 N78	D53-R74 IonicContact OD1-CZ 3.58Å; D53-R74 VanDerWaalsContact OD1-CZ 3.29Å; D53-R74 IonicContact OD1-NE 3.73Å; D53-R74 IonicContact OD1-NH1 3.9Å; D53-R74 PolarHBondContact OD1-NH1 3.3Å; D53-R74 IonicContact OD1-NH2 3.6Å; D53-R74 IonicContact OD2-CZ 3.58Å; D53-R74 IonicContact OD2-NH1 2.83Å; D53-R74 PolarHBondContact OD2-NH1 3.13Å; V56-R74 HydrophobicContact CG1-CB 4.39Å; V56-R74 HydrophobicContact CG2-CB 4.06Å; V56-R74 VanDerWaalsContact CG2-N 3.28Å; A70-R74 VanDerWaalsContact O-CB 3.32Å; A70-R74 WeakPolarHBondContact O-CB 3.5Å; A70-R74 PolarHBondContact O-N 3.43Å; K71-R74 WeakPolarHBondContact O-CB 3.36Å; K71-R74 PolarHBondContact O-N 3.02Å; F72-R74 VanDerWaalsContact C-N 3.27Å; F72-R74 PolarHBondContact O-N 2.89Å; R74-A77 PolarHBondContact O-N 3.13Å; R74-N78 VanDerWaalsContact O-CG 3.31Å; R74-N78 PolarHBondContact O-N 3.47Å; R74-N78 VanDerWaalsContact O-N 3.15Å; R74-N78 PolarHBondContact O-ND2 3.2Å; R74-N78 VanDerWaalsContact O-ND2 3.17Å
75	E	98.6	Very high	98.4	Very high	98 Å²	98	41.1 Å²	41.1	46%	0.458	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-47.1	174.7	-69.7	168.6	-176.7	0	0	110.1	K71 F72 A77 N78 E79	K71-E75 VanDerWaalsContact CE-OE1 3.28Å; K71-E75 WeakPolarHBondContact CE-OE1 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.41Å; K71-E75 PolarHBondContact O-N 2.96Å; F72-E75 WeakPolarHBondContact O-CB 3.45Å; F72-E75 PolarHBondContact O-N 2.58Å; E75-A77 PolarHBondContact O-N 3.39Å; E75-N78 WeakPolarHBondContact O-CB 3.33Å; E75-N78 PolarHBondContact O-N 3.23Å; E75-N78 VanDerWaalsContact O-N 3.14Å; E75-E79 PolarHBondContact O-N 3.17Å
76	S	98.5	Very high	98.6	Very high	11 Å²	11	42.8 Å²	42.8	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-39.4	174.9	-62.7	0	0	0	0	113.3	F72 N78 E79 E80	F72-S76 PolarHBondContact O-N 3.33Å; F72-S76 PolarHBondContact O-OG 3.09Å; S76-N78 VanDerWaalsContact C-N 3.27Å; S76-N78 PolarHBondContact O-N 3.04Å; S76-E79 WeakPolarHBondContact O-CB 3.44Å; S76-E79 PolarHBondContact O-N 3.32Å; S76-E79 VanDerWaalsContact O-N 3.09Å; S76-E80 PolarHBondContact O-N 3.34Å; S76-E80 VanDerWaalsContact O-N 3.08Å
77	A	98.6	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-42.4	174.2	0	0	0	0	0	111.4	F49 F73 R74 E75 E79 E80 L81	F49-A77 HydrophobicContact CD2-CB 3.91Å; F49-A77 VanDerWaalsContact CD2-O 3.25Å; F49-A77 WeakPolarHBondContact CD2-O 3.45Å; F49-A77 HydrophobicContact CE2-CB 4.28Å; F73-A77 WeakPolarHBondContact O-CB 3.45Å; F73-A77 PolarHBondContact O-N 3.06Å; R74-A77 PolarHBondContact O-N 3.13Å; E75-A77 PolarHBondContact O-N 3.39Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.42Å; A77-E80 PolarHBondContact O-N 2.87Å; A77-L81 PolarHBondContact O-N 3.22Å; A77-L81 VanDerWaalsContact O-N 3.1Å
78	N	98.7	Very high	98.6	Very high	78 Å²	78	39.5 Å²	39.5	42%	0.417	18%	0.18	S	C	.	.	H	α-helix	trans	-66.1	-35.7	176.6	-65.1	-34.9	0	0	0	112.1	R74 E75 S76 L81 E82	R74-N78 VanDerWaalsContact O-CG 3.31Å; R74-N78 PolarHBondContact O-N 3.47Å; R74-N78 VanDerWaalsContact O-N 3.15Å; R74-N78 PolarHBondContact O-ND2 3.2Å; R74-N78 VanDerWaalsContact O-ND2 3.17Å; E75-N78 WeakPolarHBondContact O-CB 3.33Å; E75-N78 PolarHBondContact O-N 3.23Å; E75-N78 VanDerWaalsContact O-N 3.14Å; S76-N78 VanDerWaalsContact C-N 3.27Å; S76-N78 PolarHBondContact O-N 3.04Å; N78-L81 WeakPolarHBondContact O-CB 3.39Å; N78-L81 PolarHBondContact O-N 3.43Å; N78-E82 WeakPolarHBondContact O-CG 3.48Å; N78-E82 PolarHBondContact O-N 2.95Å
79	E	98.5	Very high	98.6	Very high	93 Å²	93	45.8 Å²	45.8	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-46.5	173.5	-68	173.3	161.6	0	0	111	E75 S76 A77 L81 E82 H83	E75-E79 PolarHBondContact O-N 3.17Å; S76-E79 WeakPolarHBondContact O-CB 3.44Å; S76-E79 PolarHBondContact O-N 3.32Å; S76-E79 VanDerWaalsContact O-N 3.09Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.42Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.45Å; E79-E82 CarbonylContact O-C 3.59Å; E79-E82 WeakPolarHBondContact O-CA 3.25Å; E79-E82 WeakPolarHBondContact O-CB 3.33Å; E79-E82 PolarHBondContact O-N 3.05Å; E79-H83 PolarHBondContact O-CD2 3.05Å; E79-H83 PolarHBondContact O-N 2.83Å
80	E	98.6	Very high	98.6	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.019	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-35.1	176.7	-53.9	-43.7	148.4	0	0	113.2	A48 F49 Y52 S76 A77 E82 H83 A84	A48-E80 HydrophobicContact CB-CB 4.25Å; A48-E80 HydrophobicContact CB-CG 3.92Å; F49-E80 HydrophobicContact CB-CB 4.07Å; Y52-E80 HydrophobicContact CD2-CG 3.84Å; Y52-E80 HydrophobicContact CE2-CG 3.86Å; S76-E80 PolarHBondContact O-N 3.34Å; S76-E80 VanDerWaalsContact O-N 3.08Å; A77-E80 PolarHBondContact O-N 2.87Å; E80-E82 VanDerWaalsContact C-N 3.32Å; E80-E82 PolarHBondContact O-N 3.09Å; E80-H83 WeakPolarHBondContact O-CB 3.48Å; E80-H83 PolarHBondContact O-N 3.41Å; E80-H83 IonicContact OE2-CE1 2.63Å; E80-H83 IonicContact OE2-CG 3.34Å; E80-H83 IonicContact OE2-ND1 2.58Å; E80-H83 PolarHBondContact OE2-ND1 2.71Å; E80-A84 PolarHBondContact O-N 3.49Å
81	L	98.5	Very high	98.6	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-38	173.6	-178.9	59.1	0	0	0	111.7	Y46 F49 A77 N78 E79 R85	Y46-L81 HydrophobicContact CD1-CD1 4.04Å; Y46-L81 HydrophobicContact CE1-CD1 3.5Å; Y46-L81 VanDerWaalsContact CE1-CD1 3.5Å; F49-L81 HydrophobicContact CD2-CB 4.16Å; F49-L81 HydrophobicContact CG-CB 4.33Å; A77-L81 PolarHBondContact O-N 3.22Å; A77-L81 VanDerWaalsContact O-N 3.1Å; N78-L81 WeakPolarHBondContact O-CB 3.39Å; N78-L81 PolarHBondContact O-N 3.43Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.45Å; L81-R85 VanDerWaalsContact O-CG 3.3Å; L81-R85 WeakPolarHBondContact O-CG 3.19Å; L81-R85 PolarHBondContact O-N 2.82Å
82	E	98.7	Very high	98.6	Very high	92 Å²	92	46.6 Å²	46.6	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-67.9	-36.9	172.2	-66.3	-52.1	134.5	0	0	111.8	N78 E79 E80 R85 K86	N78-E82 WeakPolarHBondContact O-CG 3.48Å; N78-E82 PolarHBondContact O-N 2.95Å; E79-E82 CarbonylContact O-C 3.59Å; E79-E82 WeakPolarHBondContact O-CA 3.25Å; E79-E82 WeakPolarHBondContact O-CB 3.33Å; E79-E82 PolarHBondContact O-N 3.05Å; E80-E82 VanDerWaalsContact C-N 3.32Å; E80-E82 PolarHBondContact O-N 3.09Å; E82-R85 WeakPolarHBondContact O-CB 3.46Å; E82-R85 PolarHBondContact O-N 3.43Å; E82-R85 IonicContact OE1-CZ 2.81Å; E82-R85 IonicContact OE1-NH1 2.7Å; E82-R85 PolarHBondContact OE1-NH1 3.14Å; E82-K86 WeakPolarHBondContact O-CG 3.5Å; E82-K86 PolarHBondContact O-N 2.87Å
83	H	98.6	Very high	98.5	Very high	16 Å²	16	54.5 Å²	54.5	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-51.1	172.7	-59.9	158.9	0	0	0	111.1	E45 E79 E80 R85 K86 F87 F157 E160	E45-H83 HydrophobicContact CB-CB 4.38Å; E45-H83 HydrophobicContact CG-CB 3.94Å; E79-H83 PolarHBondContact O-CD2 3.05Å; E79-H83 PolarHBondContact O-N 2.83Å; E80-H83 WeakPolarHBondContact O-CB 3.48Å; E80-H83 PolarHBondContact O-N 3.41Å; E80-H83 IonicContact OE2-CE1 2.63Å; E80-H83 IonicContact OE2-CG 3.34Å; E80-H83 IonicContact OE2-ND1 2.58Å; E80-H83 PolarHBondContact OE2-ND1 2.71Å; H83-R85 PolarHBondContact O-N 3.35Å; H83-R85 VanDerWaalsContact O-N 3.17Å; H83-K86 PolarHBondContact O-N 3.43Å; H83-K86 VanDerWaalsContact O-N 3.08Å; H83-F87 VanDerWaalsContact O-CD2 3.3Å; H83-F87 WeakPolarHBondContact O-CD2 3.4Å; H83-F87 PolarHBondContact O-N 2.98Å; H83-F157 HydrophobicContact CB-CE1 4.15Å; H83-E160 IonicContact NE2-OE2 2.68Å
84	A	98.7	Very high	98.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.4	-37.8	177.8	0	0	0	0	0	112.6	E45 Y46 E80 S88	E45-A84 HydrophobicContact CB-CB 3.62Å; E45-A84 HydrophobicContact CG-CB 4.49Å; Y46-A84 HydrophobicContact CD1-CB 3.98Å; Y46-A84 HydrophobicContact CD2-CB 3.84Å; Y46-A84 HydrophobicContact CE1-CB 3.88Å; Y46-A84 HydrophobicContact CE2-CB 3.71Å; Y46-A84 HydrophobicContact CG-CB 3.95Å; E80-A84 PolarHBondContact O-N 3.49Å; A84-S88 WeakPolarHBondContact O-CB 3.4Å; A84-S88 PolarHBondContact O-N 3.38Å; A84-S88 PolarHBondContact O-OG 3.15Å
85	R	98.7	Very high	98.2	Very high	105 Å²	105	56.7 Å²	56.7	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-47.7	175.5	-72.2	168.6	177.2	154.4	4.6	112.1	L81 E82 H83 F87 S88 E89	L81-R85 VanDerWaalsContact O-CG 3.3Å; L81-R85 WeakPolarHBondContact O-CG 3.19Å; L81-R85 PolarHBondContact O-N 2.82Å; E82-R85 WeakPolarHBondContact O-CB 3.46Å; E82-R85 PolarHBondContact O-N 3.43Å; E82-R85 IonicContact OE1-CZ 2.81Å; E82-R85 IonicContact OE1-NH1 2.7Å; E82-R85 PolarHBondContact OE1-NH1 3.14Å; H83-R85 PolarHBondContact O-N 3.35Å; H83-R85 VanDerWaalsContact O-N 3.17Å; R85-F87 VanDerWaalsContact C-N 3.31Å; R85-F87 PolarHBondContact O-N 3.12Å; R85-S88 WeakPolarHBondContact O-CB 3.45Å; R85-S88 PolarHBondContact O-N 3.31Å; R85-S88 VanDerWaalsContact O-N 3.09Å; R85-E89 WeakPolarHBondContact O-CG 3.45Å; R85-E89 PolarHBondContact O-N 3.34Å
86	K	98.8	Very high	98.1	Very high	83 Å²	83	52.8 Å²	52.8	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-56.1	-45.1	176.3	-71.7	174	-177.3	176.2	0	111.5	E82 H83 E89 F90 F157 E160	E82-K86 WeakPolarHBondContact O-CG 3.5Å; E82-K86 PolarHBondContact O-N 2.87Å; H83-K86 PolarHBondContact O-N 3.43Å; H83-K86 VanDerWaalsContact O-N 3.08Å; K86-E89 PolarHBondContact O-N 3.1Å; K86-F90 WeakPolarHBondContact O-CB 3.46Å; K86-F90 PolarHBondContact O-N 3.43Å; K86-F157 HydrophobicContact CB-CZ 3.87Å; K86-F157 HydrophobicContact CD-CE1 4.18Å; K86-F157 HydrophobicContact CD-CZ 3.81Å; K86-E160 IonicContact NZ-OE1 3.84Å
87	F	98.8	Very high	98	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-45.1	174.4	-83.4	-79.8	0	0	0	112.2	L38 Q41 I42 E45 H83 R85 E89 F90 V91 F153 L154 F157	L38-F87 HydrophobicContact CD2-CD1 3.7Å; L38-F87 HydrophobicContact CD2-CE1 3.97Å; Q41-F87 HydrophobicContact CB-CD1 4.41Å; Q41-F87 HydrophobicContact CB-CE1 4.25Å; Q41-F87 HydrophobicContact CG-CD1 4.06Å; Q41-F87 HydrophobicContact CG-CD2 4.26Å; Q41-F87 HydrophobicContact CG-CE1 3.6Å; Q41-F87 HydrophobicContact CG-CE2 3.84Å; Q41-F87 HydrophobicContact CG-CG 4.39Å; Q41-F87 HydrophobicContact CG-CZ 3.51Å; I42-F87 HydrophobicContact CD1-CB 4.26Å; I42-F87 HydrophobicContact CG1-CB 3.47Å; I42-F87 VanDerWaalsContact CG1-CB 3.47Å; I42-F87 HydrophobicContact CG1-CG 4.48Å; E45-F87 HydrophobicContact CG-CD2 3.93Å; E45-F87 HydrophobicContact CG-CE2 4.14Å; E45-F87 WeakPolarHBondContact OE1-CE2 3.5Å; H83-F87 VanDerWaalsContact O-CD2 3.3Å; H83-F87 WeakPolarHBondContact O-CD2 3.4Å; H83-F87 PolarHBondContact O-N 2.98Å; R85-F87 VanDerWaalsContact C-N 3.31Å; R85-F87 PolarHBondContact O-N 3.12Å; F87-E89 VanDerWaalsContact C-N 3.35Å; F87-E89 PolarHBondContact O-N 3.35Å; F87-F90 PolarHBondContact O-N 2.92Å; F87-V91 WeakPolarHBondContact O-CG2 3.31Å; F87-V91 PolarHBondContact O-N 3.42Å; F87-F153 AromaticContact CD1-CE1 3.55Å; F87-F153 HydrophobicContact CD1-CE1 3.55Å; F87-F153 HydrophobicContact CD1-CZ 4.03Å; F87-F153 HydrophobicContact CE1-CD1 4.5Å; F87-F153 AromaticContact CE1-CE1 3.59Å; F87-F153 HydrophobicContact CE1-CE1 3.59Å; F87-F153 HydrophobicContact CE1-CZ 4.29Å; F87-F153 HydrophobicContact CG-CE1 4.26Å; F87-F153 HydrophobicContact CG-CZ 4.29Å; F87-F153 HydrophobicContact CZ-CE1 4.32Å; F87-L154 HydrophobicContact CE1-CD2 3.61Å; F87-L154 HydrophobicContact CZ-CD2 4Å; F87-F157 HydrophobicContact CD2-CE1 4.04Å; F87-F157 HydrophobicContact CD2-CZ 4.1Å; F87-F157 AromaticContact CE2-CD1 3.7Å; F87-F157 HydrophobicContact CE2-CD1 3.7Å; F87-F157 HydrophobicContact CE2-CD2 4.38Å; F87-F157 AromaticContact CE2-CE1 3.5Å; F87-F157 HydrophobicContact CE2-CE1 3.5Å; F87-F157 VanDerWaalsContact CE2-CE1 3.5Å; F87-F157 HydrophobicContact CE2-CE2 4.24Å; F87-F157 HydrophobicContact CE2-CG 4.14Å; F87-F157 AromaticContact CE2-CZ 3.79Å; F87-F157 HydrophobicContact CE2-CZ 3.79Å; F87-F157 HydrophobicContact CZ-CD1 4.11Å; F87-F157 HydrophobicContact CZ-CD2 4.13Å; F87-F157 HydrophobicContact CZ-CE1 4.19Å; F87-F157 HydrophobicContact CZ-CE2 4.24Å; F87-F157 HydrophobicContact CZ-CG 4.06Å; F87-F157 HydrophobicContact CZ-CZ 4.25Å
88	S	98.7	Very high	98	Very high	15 Å²	15	60.7 Å²	60.7	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-43.1	177.6	-61.4	0	0	0	0	112.2	A84 R85 V91 N92	A84-S88 WeakPolarHBondContact O-CB 3.4Å; A84-S88 PolarHBondContact O-N 3.38Å; A84-S88 PolarHBondContact O-OG 3.15Å; R85-S88 WeakPolarHBondContact O-CB 3.45Å; R85-S88 PolarHBondContact O-N 3.31Å; R85-S88 VanDerWaalsContact O-N 3.09Å; S88-V91 PolarHBondContact O-N 2.98Å; S88-N92 WeakPolarHBondContact O-CB 3.46Å; S88-N92 VanDerWaalsContact O-CG 3.28Å; S88-N92 PolarHBondContact O-N 3.17Å; S88-N92 PolarHBondContact O-ND2 3.45Å
89	E	98.6	Very high	97.9	Very high	132 Å²	132	60.4 Å²	60.4	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-63	-42.3	175.8	-73.6	177.3	-174.8	0	0	111.5	R85 K86 F87 N92 K93	R85-E89 WeakPolarHBondContact O-CG 3.45Å; R85-E89 PolarHBondContact O-N 3.34Å; K86-E89 PolarHBondContact O-N 3.1Å; F87-E89 VanDerWaalsContact C-N 3.35Å; F87-E89 PolarHBondContact O-N 3.35Å; E89-N92 PolarHBondContact O-N 3.08Å; E89-K93 WeakPolarHBondContact O-CB 3.45Å; E89-K93 PolarHBondContact O-N 3.22Å
90	F	98.6	Very high	97.7	Very high	22 Å²	22	61.6 Å²	61.6	10%	0.096	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-49.9	176.2	-176.8	-99	0	0	0	111.8	L30 L38 K86 F87 N92 K93 R94 T149 T150 F153	L30-F90 HydrophobicContact CD2-CE1 4.36Å; L38-F90 HydrophobicContact CD1-CD1 4.05Å; L38-F90 HydrophobicContact CD1-CE1 4Å; L38-F90 HydrophobicContact CD2-CD1 4.24Å; K86-F90 WeakPolarHBondContact O-CB 3.46Å; K86-F90 PolarHBondContact O-N 3.43Å; F87-F90 PolarHBondContact O-N 2.92Å; F90-N92 PolarHBondContact O-N 3.48Å; F90-K93 PolarHBondContact O-N 2.85Å; F90-R94 HydrophobicContact CD1-CG 4.34Å; F90-R94 HydrophobicContact CE1-CG 4.01Å; F90-R94 HydrophobicContact CE2-CG 4.28Å; F90-R94 HydrophobicContact CZ-CG 3.98Å; F90-R94 VanDerWaalsContact O-CG 3.3Å; F90-R94 WeakPolarHBondContact O-CG 3.32Å; F90-R94 PolarHBondContact O-N 3.41Å; F90-T149 HydrophobicContact CE2-CG2 4.36Å; F90-T149 HydrophobicContact CZ-CG2 4.39Å; F90-T150 HydrophobicContact CE1-CG2 4.17Å; F90-T150 WeakPolarHBondContact CE1-OG1 3.24Å; F90-F153 HydrophobicContact CB-CD1 4.34Å; F90-F153 HydrophobicContact CB-CD2 4.22Å; F90-F153 HydrophobicContact CB-CE1 3.88Å; F90-F153 HydrophobicContact CB-CE2 3.73Å; F90-F153 HydrophobicContact CB-CZ 3.55Å; F90-F153 AromaticContact CD1-CD1 3.69Å; F90-F153 HydrophobicContact CD1-CD1 3.69Å; F90-F153 AromaticContact CD1-CE1 3.83Å; F90-F153 HydrophobicContact CD1-CE1 3.83Å; F90-F153 HydrophobicContact CD1-CG 4.13Å; F90-F153 HydrophobicContact CD1-CZ 4.38Å; F90-F153 HydrophobicContact CD2-CB 3.96Å; F90-F153 AromaticContact CD2-CD1 3.94Å; F90-F153 HydrophobicContact CD2-CD1 3.94Å; F90-F153 AromaticContact CD2-CD2 3.48Å; F90-F153 HydrophobicContact CD2-CD2 3.48Å; F90-F153 VanDerWaalsContact CD2-CD2 3.48Å; F90-F153 HydrophobicContact CD2-CE1 4.31Å; F90-F153 AromaticContact CD2-CE2 3.9Å; F90-F153 HydrophobicContact CD2-CE2 3.9Å; F90-F153 AromaticContact CD2-CG 3.5Å; F90-F153 HydrophobicContact CD2-CG 3.5Å; F90-F153 VanDerWaalsContact CD2-CG 3.5Å; F90-F153 HydrophobicContact CD2-CZ 4.3Å; F90-F153 HydrophobicContact CE1-CB 4.38Å; F90-F153 AromaticContact CE1-CD1 3.88Å; F90-F153 HydrophobicContact CE1-CD1 3.88Å; F90-F153 HydrophobicContact CE1-CE1 4.46Å; F90-F153 HydrophobicContact CE1-CG 4.2Å; F90-F153 HydrophobicContact CE2-CB 3.5Å; F90-F153 VanDerWaalsContact CE2-CB 3.5Å; F90-F153 HydrophobicContact CE2-CD1 4.12Å; F90-F153 AromaticContact CE2-CD2 3.96Å; F90-F153 HydrophobicContact CE2-CD2 3.96Å; F90-F153 AromaticContact CE2-CG 3.58Å; F90-F153 HydrophobicContact CE2-CG 3.58Å; F90-F153 AromaticContact CG-CD1 3.72Å; F90-F153 HydrophobicContact CG-CD1 3.72Å; F90-F153 AromaticContact CG-CD2 3.88Å; F90-F153 HydrophobicContact CG-CD2 3.88Å; F90-F153 AromaticContact CG-CE1 3.74Å; F90-F153 HydrophobicContact CG-CE1 3.74Å; F90-F153 AromaticContact CG-CE2 3.89Å; F90-F153 HydrophobicContact CG-CE2 3.89Å; F90-F153 AromaticContact CG-CG 3.78Å; F90-F153 HydrophobicContact CG-CG 3.78Å; F90-F153 AromaticContact CG-CZ 3.84Å; F90-F153 HydrophobicContact CG-CZ 3.84Å; F90-F153 HydrophobicContact CZ-CB 3.74Å; F90-F153 HydrophobicContact CZ-CD1 4.09Å; F90-F153 AromaticContact CZ-CG 3.94Å; F90-F153 HydrophobicContact CZ-CG 3.94Å
91	V	98.5	Very high	97.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-49.8	177.3	170.8	0	0	0	0	111.2	L30 L38 I42 F87 S88 K93 R94 S96 V98	L30-V91 HydrophobicContact CD1-CG2 4.42Å; L38-V91 HydrophobicContact CB-CG2 3.56Å; L38-V91 HydrophobicContact CD1-CG2 3.97Å; L38-V91 HydrophobicContact CG-CG2 4.26Å; I42-V91 HydrophobicContact CD1-CG2 4.06Å; F87-V91 WeakPolarHBondContact O-CG2 3.31Å; F87-V91 PolarHBondContact O-N 3.42Å; S88-V91 PolarHBondContact O-N 2.98Å; V91-K93 VanDerWaalsContact C-N 3.33Å; V91-K93 PolarHBondContact O-N 3.23Å; V91-R94 CarbonylContact O-C 3.58Å; V91-R94 PolarHBondContact O-N 3.26Å; V91-S96 PolarHBondContact O-N 3.45Å; V91-S96 VanDerWaalsContact O-N 3.17Å; V91-V98 HydrophobicContact CB-CG2 3.9Å; V91-V98 HydrophobicContact CG1-CG2 3.81Å
92	N	97.8	Very high	97.2	Very high	92 Å²	92	71 Å²	71	49%	0.492	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-38.9	179.5	-69.8	-40.1	0	0	0	112	S88 E89 F90 R94 N95	S88-N92 WeakPolarHBondContact O-CB 3.46Å; S88-N92 VanDerWaalsContact O-CG 3.28Å; S88-N92 PolarHBondContact O-N 3.17Å; S88-N92 PolarHBondContact O-ND2 3.45Å; E89-N92 PolarHBondContact O-N 3.08Å; F90-N92 PolarHBondContact O-N 3.48Å; N92-R94 PolarHBondContact O-N 2.93Å; N92-N95 PolarHBondContact O-N 2.87Å; N92-N95 VanDerWaalsContact O-N 3.09Å
93	K	97.6	Very high	96.9	Very high	178 Å²	178	69 Å²	69	77%	0.774	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-28	177.8	-175.9	179.5	178	-174.2	0	112.4	E89 F90 V91 N95	E89-K93 WeakPolarHBondContact O-CB 3.45Å; E89-K93 PolarHBondContact O-N 3.22Å; F90-K93 PolarHBondContact O-N 2.85Å; V91-K93 VanDerWaalsContact C-N 3.33Å; V91-K93 PolarHBondContact O-N 3.23Å; K93-N95 PolarHBondContact O-N 2.99Å
94	R	97	Very high	96.3	Very high	18 Å²	18	73.1 Å²	73.1	7%	0.068	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	21	174	-57.7	-69.4	-60	-93.7	2.7	112.7	I28 A29 L30 F90 V91 N92 S96 D147 T149 T150	I28-R94 VanDerWaalsContact O-CZ 3.3Å; I28-R94 PolarHBondContact O-NE 3.4Å; I28-R94 PolarHBondContact O-NH2 3.41Å; A29-R94 WeakPolarHBondContact CA-O 3.48Å; L30-R94 HydrophobicContact CD1-CB 4.02Å; L30-R94 HydrophobicContact CD2-CB 4.01Å; L30-R94 HydrophobicContact CD2-CG 4.04Å; L30-R94 HydrophobicContact CG-CB 3.62Å; L30-R94 HydrophobicContact CG-CG 4.2Å; F90-R94 HydrophobicContact CD1-CG 4.34Å; F90-R94 HydrophobicContact CE1-CG 4.01Å; F90-R94 HydrophobicContact CE2-CG 4.28Å; F90-R94 HydrophobicContact CZ-CG 3.98Å; F90-R94 VanDerWaalsContact O-CG 3.3Å; F90-R94 WeakPolarHBondContact O-CG 3.32Å; F90-R94 PolarHBondContact O-N 3.41Å; V91-R94 CarbonylContact O-C 3.58Å; V91-R94 PolarHBondContact O-N 3.26Å; N92-R94 PolarHBondContact O-N 2.93Å; R94-S96 PolarHBondContact O-N 2.93Å; R94-D147 IonicContact CZ-OD1 3.67Å; R94-D147 IonicContact CZ-OD2 3.97Å; R94-D147 IonicContact NH1-OD1 3.1Å; R94-D147 PolarHBondContact NH1-OD1 2.91Å; R94-D147 VanDerWaalsContact NH1-OD1 3.1Å; R94-D147 IonicContact NH1-OD2 3.6Å; R94-D147 IonicContact NH2-OD1 3.26Å; R94-D147 PolarHBondContact NH2-OD1 2.9Å; R94-D147 IonicContact NH2-OD2 3.57Å; R94-T149 VanDerWaalsContact NH1-CG2 3.26Å; R94-T150 PolarHBondContact NH1-OG1 3.16Å
95	N	93.6	Very high	95.5	Very high	126 Å²	126	74.9 Å²	74.9	67%	0.674	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	24.9	176.6	-164.1	39.9	0	0	0	114.5	N92 K93	N92-N95 PolarHBondContact O-N 2.87Å; N92-N95 VanDerWaalsContact O-N 3.09Å; K93-N95 PolarHBondContact O-N 2.99Å
96	S	96	Very high	94.4	Very high	15 Å²	15	74.1 Å²	74.1	11%	0.105	38%	0.382	C	S	.	.			trans	-108.2	170.1	177.9	-80.7	0	0	0	0	111.2	L30 E35 V91 R94	L30-S96 WeakPolarHBondContact CB-OG 3.19Å; E35-S96 WeakPolarHBondContact OE2-CB 3.28Å; E35-S96 PolarHBondContact OE2-OG 3.36Å; V91-S96 PolarHBondContact O-N 3.45Å; V91-S96 VanDerWaalsContact O-N 3.17Å; R94-S96 PolarHBondContact O-N 2.93Å
97	K	96.2	Very high	93.2	Very high	147 Å²	147	74.8 Å²	74.8	64%	0.639	40%	0.397	S	S	*	.			trans	-106	127.6	-172.9	-174.5	178	176.5	-176.6	0	111.9	E35 N39 V99	E35-K97 PolarHBondContact OE1-N 2.82Å; N39-K97 PolarHBondContact ND2-O 3.2Å; N39-K97 PolarHBondContact OD1-O 3.38Å; K97-V99 HydrophobicContact CG-CG2 4.4Å
98	V	98.3	Very high	92.2	Very high	30 Å²	30	76.9 Å²	76.9	18%	0.182	41%	0.412	C	S	.	.			trans	-75	128.8	166.3	178.7	0	0	0	0	110.5	N39 I42 V91 L100	N39-V98 WeakPolarHBondContact OD1-CA 3.45Å; I42-V98 HydrophobicContact CD1-CG1 4.05Å; I42-V98 HydrophobicContact CD1-CG2 4.04Å; V91-V98 HydrophobicContact CB-CG2 3.9Å; V91-V98 HydrophobicContact CG1-CG2 3.81Å; V98-L100 HydrophobicContact CG1-CD2 3.87Å; V98-L100 HydrophobicContact CG1-CG 4.32Å
99	V	96.7	Very high	91.4	Very high	73 Å²	73	79.5 Å²	79.5	44%	0.442	44%	0.442	S	S	.	.			trans	-122.8	97.3	178	-175.6	0	0	0	0	108.5	N39 K97 K101	N39-V99 PolarHBondContact OD1-N 2.66Å; K97-V99 HydrophobicContact CG-CG2 4.4Å; V99-K101 PolarHBondContact O-N 3.24Å
100	L	95.9	Very high	90.9	Very high	118 Å²	118	74.1 Å²	74.1	62%	0.618	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-71.4	125.8	175.7	-57.9	-179.3	0	0	0	110.2	I42 Y46 V98	I42-L100 HydrophobicContact CG2-CD2 4Å; Y46-L100 HydrophobicContact CD2-CD2 4.3Å; Y46-L100 HydrophobicContact CE2-CD2 3.69Å; V98-L100 HydrophobicContact CG1-CD2 3.87Å; V98-L100 HydrophobicContact CG1-CG 4.32Å
101	K	92	Very high	90.3	Very high	90 Å²	90	75.2 Å²	75.2	39%	0.391	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-100.1	168.7	179	-63.2	176.6	-176.6	-179.6	0	110.3	D40 L43 V99	D40-K101 IonicContact OD1-NZ 3.79Å; D40-K101 PolarHBondContact OD1-NZ 3.31Å; L43-K101 HydrophobicContact CD1-CB 4.02Å; L43-K101 HydrophobicContact CD2-CB 3.9Å; L43-K101 HydrophobicContact CD2-CD 4.04Å; L43-K101 HydrophobicContact CG-CB 4.42Å; V99-K101 PolarHBondContact O-N 3.24Å
102	N	93.5	Very high	89.8	Confident	139 Å²	139	80.4 Å²	80.4	74%	0.743	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-69.3	139.1	176.9	-65.3	-28.4	0	0	0	110.7
103	I	92.3	Very high	89.4	Confident	49 Å²	49	81.8 Å²	81.8	25%	0.251	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-97.9	119.4	172.1	-64.2	164.6	0	0	0	108.1	L43 E47 Y50	L43-I103 HydrophobicContact CD1-CG1 3.83Å; E47-I103 HydrophobicContact CG-CG1 4.38Å; E47-I103 HydrophobicContact CG-CG2 4.15Å; Y50-I103 HydrophobicContact CD1-CG2 4.2Å; Y50-I103 HydrophobicContact CD2-CD1 3.55Å; Y50-I103 HydrophobicContact CD2-CG2 4.11Å; Y50-I103 HydrophobicContact CE2-CD1 3.42Å; Y50-I103 VanDerWaalsContact CE2-CD1 3.42Å; Y50-I103 HydrophobicContact CG-CD1 4.41Å; Y50-I103 HydrophobicContact CG-CG2 3.89Å
104	L	87.2	Confident	89.4	Confident	104 Å²	104	73.9 Å²	73.9	55%	0.545	43%	0.426	S	S	.	.			trans	-120.3	82.9	-177.8	-63.7	179.7	0	0	0	110.6	A106 S107	L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 3.32Å; L104-S107 WeakPolarHBondContact O-CB 3.5Å; L104-S107 PolarHBondContact O-N 3.48Å
105	L	80.9	Confident	89.3	Confident	37 Å²	37	80.5 Å²	80.5	19%	0.194	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-55.2	-39.7	-177.4	-173	67	0	0	0	112.9	I51 H54 S107 S108 V110	I51-L105 HydrophobicContact CB-CD1 4.45Å; I51-L105 HydrophobicContact CD1-CD1 4.5Å; I51-L105 HydrophobicContact CG1-CD1 3.46Å; I51-L105 VanDerWaalsContact CG1-CD1 3.46Å; H54-L105 HydrophobicContact CB-CD2 3.95Å; L105-S107 PolarHBondContact O-N 3.35Å; L105-S107 VanDerWaalsContact O-N 3.08Å; L105-S108 WeakPolarHBondContact O-CB 3.48Å; L105-S108 PolarHBondContact O-N 3.23Å; L105-S108 PolarHBondContact O-OG 3.29Å; L105-V110 HydrophobicContact CD1-CB 4.33Å
106	A	74.6	Confident	89.4	Confident	89 Å²	89	77.5 Å²	77.5	74%	0.736	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-60.8	-20.4	177.9	0	0	0	0	0	113.8	L104	L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 3.32Å
107	S	74	Confident	89.5	Confident	96 Å²	96	77 Å²	77	67%	0.671	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-92.1	-11	177.3	-58.9	0	0	0	0	113.5	L104 L105 G109	L104-S107 WeakPolarHBondContact O-CB 3.5Å; L104-S107 PolarHBondContact O-N 3.48Å; L105-S107 PolarHBondContact O-N 3.35Å; L105-S107 VanDerWaalsContact O-N 3.08Å; S107-G109 VanDerWaalsContact C-N 3.26Å; S107-G109 PolarHBondContact O-N 3.19Å
108	S	77.8	Confident	89.5	Confident	44 Å²	44	72.7 Å²	72.7	31%	0.308	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.6	-179.1	69.3	0	0	0	0	114.1	L105 V110	L105-S108 WeakPolarHBondContact O-CB 3.48Å; L105-S108 PolarHBondContact O-N 3.23Å; L105-S108 PolarHBondContact O-OG 3.29Å; S108-V110 PolarHBondContact O-N 3.04Å; S108-V110 WeakPolarHBondContact OG-CB 3.32Å; S108-V110 VanDerWaalsContact OG-CG2 3.27Å; S108-V110 WeakPolarHBondContact OG-CG2 3.44Å; S108-V110 PolarHBondContact OG-N 3.38Å
109	G	82	Confident	89.5	Confident	71 Å²	71	73.5 Å²	73.5	73%	0.732	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	1.2	-173.4	0	0	0	0	0	114.4	S107	S107-G109 VanDerWaalsContact C-N 3.26Å; S107-G109 PolarHBondContact O-N 3.19Å
110	V	87.8	Confident	89.5	Confident	19 Å²	19	70 Å²	70	12%	0.115	40%	0.398	C	S	.	.			trans	-64.8	135.6	174.9	171.2	0	0	0	0	110.6	I51 L105 S108 M112 F114 T123	I51-V110 HydrophobicContact CD1-CG2 3.82Å; I51-V110 HydrophobicContact CG1-CG2 3.91Å; I51-V110 HydrophobicContact CG2-CG1 4.44Å; I51-V110 HydrophobicContact CG2-CG2 4.03Å; L105-V110 HydrophobicContact CD1-CB 4.33Å; S108-V110 PolarHBondContact O-N 3.04Å; S108-V110 WeakPolarHBondContact OG-CB 3.32Å; S108-V110 VanDerWaalsContact OG-CG2 3.27Å; S108-V110 WeakPolarHBondContact OG-CG2 3.44Å; S108-V110 PolarHBondContact OG-N 3.38Å; V110-M112 PolarHBondContact O-N 3.26Å; V110-F114 HydrophobicContact CG1-CZ 3.88Å; V110-T123 HydrophobicContact CB-CG2 4.43Å; V110-T123 HydrophobicContact CG1-CG2 4.01Å; V110-T123 HydrophobicContact CG2-CG2 3.86Å
111	P	87.4	Confident	89.6	Confident	44 Å²	44	64.4 Å²	64.4	29%	0.286	37%	0.368	S	S	.	.			trans	-57.6	127	174.7	-24.3	33.9	0	0	0	112	H54 D113 F114	H54-P111 PolarHBondContact NE2-O 2.9Å; P111-D113 VanDerWaalsContact C-N 3.26Å; P111-D113 PolarHBondContact O-N 2.81Å; P111-F114 HydrophobicContact CB-CD1 4.17Å; P111-F114 HydrophobicContact CB-CE1 4.21Å; P111-F114 HydrophobicContact CG-CD1 4.31Å; P111-F114 HydrophobicContact CG-CE1 4.13Å
112	M	87.5	Confident	89.9	Confident	109 Å²	109	63.3 Å²	63.3	54%	0.537	37%	0.367	S	S	.	.	S	Bend	trans	-69.9	-28.3	172.8	-67.5	-54.6	-53.2	0	0	112.1	H54 V110	H54-M112 PolarHBondContact CE1-O 2.87Å; H54-M112 VanDerWaalsContact CE1-O 3.28Å; H54-M112 PolarHBondContact NE2-O 2.92Å; V110-M112 PolarHBondContact O-N 3.26Å
113	D	90.1	Very high	90.1	Very high	122 Å²	122	57.9 Å²	57.9	65%	0.652	34%	0.339	S	S	*	.	S	Bend	trans	-124.9	113.7	172.3	-69.5	-61.1	0	0	0	108.9	P111	P111-D113 VanDerWaalsContact C-N 3.26Å; P111-D113 PolarHBondContact O-N 2.81Å
114	F	96.4	Very high	90.4	Very high	11 Å²	11	55.5 Å²	55.5	5%	0.048	33%	0.327	C	S	.	.			trans	-78.4	143.6	170	-63.2	-77.8	0	0	0	110.3	H54 M55 Y58 V110 P111 E119 V120 T123	H54-F114 AromaticContact CD2-CE2 3.48Å; H54-F114 VanDerWaalsContact CD2-CE2 3.48Å; H54-F114 WeakPolarHBondContact CD2-CE2 3.5Å; H54-F114 AromaticContact CD2-CZ 4Å; H54-F114 AromaticContact NE2-CE2 3.64Å; M55-F114 HydrophobicContact CB-CE2 4.45Å; M55-F114 HydrophobicContact CE-CZ 4.5Å; M55-F114 HydrophobicContact CG-CE2 3.91Å; M55-F114 HydrophobicContact CG-CZ 3.7Å; Y58-F114 HydrophobicContact CD1-CB 3.6Å; Y58-F114 AromaticContact CD1-CD2 4Å; Y58-F114 HydrophobicContact CD1-CD2 4Å; Y58-F114 HydrophobicContact CD1-CG 4.11Å; Y58-F114 HydrophobicContact CD2-CB 3.92Å; Y58-F114 HydrophobicContact CE1-CB 3.6Å; Y58-F114 HydrophobicContact CE1-CG 4.49Å; Y58-F114 HydrophobicContact CE2-CB 3.91Å; Y58-F114 WeakPolarHBondContact CE2-O 3.3Å; Y58-F114 HydrophobicContact CG-CB 3.77Å; Y58-F114 AromaticContact CG-CD2 3.87Å; Y58-F114 HydrophobicContact CG-CD2 3.87Å; Y58-F114 HydrophobicContact CG-CG 4.26Å; V110-F114 HydrophobicContact CG1-CZ 3.88Å; P111-F114 HydrophobicContact CB-CD1 4.17Å; P111-F114 HydrophobicContact CB-CE1 4.21Å; P111-F114 HydrophobicContact CG-CD1 4.31Å; P111-F114 HydrophobicContact CG-CE1 4.13Å; F114-E119 HydrophobicContact CD1-CB 4.25Å; F114-V120 HydrophobicContact CB-CG2 3.97Å; F114-V120 HydrophobicContact CD1-CG2 3.75Å; F114-V120 HydrophobicContact CD2-CG2 4.15Å; F114-V120 HydrophobicContact CE1-CG2 4.25Å; F114-V120 HydrophobicContact CG-CG2 3.69Å; F114-T123 HydrophobicContact CE1-CG2 4.18Å; F114-T123 HydrophobicContact CZ-CG2 4.39Å
115	K	95.3	Very high	90.9	Very high	157 Å²	157	51.4 Å²	51.4	68%	0.683	31%	0.305	S	S	*	.			trans	-89.8	-32.8	177.7	-59	-172.4	-159.9	102.3	0	113.2	Y58 E119	Y58-K115 PolarHBondContact OH-O 3.06Å; K115-E119 WeakPolarHBondContact CB-OE2 3.48Å; K115-E119 WeakPolarHBondContact CD-OE1 3.47Å; K115-E119 WeakPolarHBondContact CG-OE2 3.44Å; K115-E119 PolarHBondContact N-OE2 2.68Å; K115-E119 IonicContact NZ-OE1 2.71Å; K115-E119 PolarHBondContact NZ-OE1 2.63Å
116	N	96.1	Very high	91.7	Very high	63 Å²	63	51.5 Å²	51.5	34%	0.337	32%	0.315	S	S	.	.	S	Bend	trans	-164.2	175.1	-177.1	55.9	62.2	0	0	0	110.5	Y58 H118 E119 V120	Y58-N116 VanDerWaalsContact OH-CA 3.23Å; Y58-N116 WeakPolarHBondContact OH-CA 3.32Å; Y58-N116 PolarHBondContact OH-N 3.03Å; Y58-N116 VanDerWaalsContact OH-N 3.12Å; N116-H118 VanDerWaalsContact C-N 3.27Å; N116-H118 PolarHBondContact O-N 3.45Å; N116-H118 WeakPolarHBondContact OD1-CA 3.41Å; N116-H118 VanDerWaalsContact OD1-CB 3.26Å; N116-H118 WeakPolarHBondContact OD1-CB 3.36Å; N116-H118 PolarHBondContact OD1-N 3.23Å; N116-E119 PolarHBondContact O-N 3.01Å; N116-E119 PolarHBondContact OD1-N 2.77Å; N116-V120 PolarHBondContact O-N 2.9Å
117	I	97.3	Very high	92.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-29.8	178.1	-175	60.5	0	0	0	113.7	L59 L66 F69 F73 E119 V120 I121 L175 V182	L59-I117 HydrophobicContact CD2-CD1 3.83Å; L66-I117 HydrophobicContact CD1-CB 3.85Å; L66-I117 HydrophobicContact CD1-CG2 4.42Å; F69-I117 HydrophobicContact CB-CD1 4.07Å; F69-I117 HydrophobicContact CD1-CD1 3.51Å; F69-I117 HydrophobicContact CD1-CG1 4.05Å; F69-I117 HydrophobicContact CD2-CD1 4.21Å; F69-I117 HydrophobicContact CD2-CG1 4.34Å; F69-I117 HydrophobicContact CE1-CD1 3.89Å; F69-I117 HydrophobicContact CE1-CG1 3.92Å; F69-I117 HydrophobicContact CE2-CG1 4.24Å; F69-I117 HydrophobicContact CG-CD1 3.68Å; F69-I117 HydrophobicContact CG-CG1 4.24Å; F69-I117 HydrophobicContact CZ-CD1 4.41Å; F69-I117 HydrophobicContact CZ-CG1 4.04Å; F73-I117 HydrophobicContact CE2-CD1 4.48Å; I117-E119 PolarHBondContact O-N 3.27Å; I117-V120 HydrophobicContact CD1-CB 4.23Å; I117-V120 HydrophobicContact CD1-CG1 4.35Å; I117-V120 WeakPolarHBondContact O-CB 3.4Å; I117-V120 PolarHBondContact O-N 3.39Å; I117-I121 HydrophobicContact CD1-CD1 3.98Å; I117-I121 HydrophobicContact CD1-CG1 4.27Å; I117-I121 HydrophobicContact CG1-CD1 4.43Å; I117-I121 HydrophobicContact CG1-CG1 4.23Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.34Å; I117-L175 HydrophobicContact CG1-CD1 4.06Å; I117-L175 HydrophobicContact CG2-CD1 4.25Å; I117-L175 HydrophobicContact CG2-CD2 4.29Å; I117-V182 HydrophobicContact CG2-CG1 4.01Å; I117-V182 HydrophobicContact CG2-CG2 3.87Å
118	H	97.1	Very high	93.9	Very high	57 Å²	57	43.2 Å²	43.2	26%	0.264	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-40.5	179.5	-58.5	-100.3	0	0	0	111.5	N116 V120 I121 D122 H176	N116-H118 VanDerWaalsContact C-N 3.27Å; N116-H118 PolarHBondContact O-N 3.45Å; N116-H118 WeakPolarHBondContact OD1-CA 3.41Å; N116-H118 VanDerWaalsContact OD1-CB 3.26Å; N116-H118 WeakPolarHBondContact OD1-CB 3.36Å; N116-H118 PolarHBondContact OD1-N 3.23Å; H118-V120 VanDerWaalsContact C-N 3.29Å; H118-V120 PolarHBondContact O-N 3.21Å; H118-I121 PolarHBondContact O-N 2.99Å; H118-D122 WeakPolarHBondContact O-CB 3.29Å; H118-D122 PolarHBondContact O-N 3.04Å; H118-H176 AromaticContact CE1-NE2 3.96Å; H118-H176 AromaticContact ND1-CE1 3.55Å; H118-H176 AromaticContact ND1-NE2 3.64Å
119	E	97.3	Very high	94.9	Very high	47 Å²	47	44.7 Å²	44.7	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-35.1	174.3	-71.1	-172.6	171.1	0	0	111.9	F114 K115 N116 I117 T123	F114-E119 HydrophobicContact CD1-CB 4.25Å; K115-E119 WeakPolarHBondContact CB-OE2 3.48Å; K115-E119 WeakPolarHBondContact CD-OE1 3.47Å; K115-E119 WeakPolarHBondContact CG-OE2 3.44Å; K115-E119 PolarHBondContact N-OE2 2.68Å; K115-E119 IonicContact NZ-OE1 2.71Å; K115-E119 PolarHBondContact NZ-OE1 2.63Å; N116-E119 PolarHBondContact O-N 3.01Å; N116-E119 PolarHBondContact OD1-N 2.77Å; I117-E119 PolarHBondContact O-N 3.27Å; E119-T123 VanDerWaalsContact O-CB 3.3Å; E119-T123 WeakPolarHBondContact O-CB 3.37Å; E119-T123 PolarHBondContact O-N 3.18Å; E119-T123 PolarHBondContact O-OG1 3.35Å
120	V	98	Very high	95.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-49.7	175.6	173.6	0	0	0	0	110.8	M55 Y58 L59 F73 F114 N116 I117 H118 D122 T123 A124	M55-V120 HydrophobicContact CB-CG1 3.88Å; M55-V120 HydrophobicContact CG-CG1 3.81Å; M55-V120 HydrophobicContact SD-CG1 3.81Å; Y58-V120 HydrophobicContact CD1-CG2 3.76Å; Y58-V120 HydrophobicContact CE1-CG2 3.86Å; L59-V120 HydrophobicContact CD1-CG1 4.22Å; L59-V120 HydrophobicContact CD2-CG2 4.43Å; F73-V120 HydrophobicContact CD2-CG1 4.26Å; F73-V120 HydrophobicContact CE1-CG1 4.5Å; F73-V120 HydrophobicContact CE2-CG1 3.75Å; F73-V120 HydrophobicContact CZ-CG1 3.89Å; F114-V120 HydrophobicContact CB-CG2 3.97Å; F114-V120 HydrophobicContact CD1-CG2 3.75Å; F114-V120 HydrophobicContact CD2-CG2 4.15Å; F114-V120 HydrophobicContact CE1-CG2 4.25Å; F114-V120 HydrophobicContact CG-CG2 3.69Å; N116-V120 PolarHBondContact O-N 2.9Å; I117-V120 HydrophobicContact CD1-CB 4.23Å; I117-V120 HydrophobicContact CD1-CG1 4.35Å; I117-V120 WeakPolarHBondContact O-CB 3.4Å; I117-V120 PolarHBondContact O-N 3.39Å; H118-V120 VanDerWaalsContact C-N 3.29Å; H118-V120 PolarHBondContact O-N 3.21Å; V120-D122 PolarHBondContact O-N 2.97Å; V120-T123 PolarHBondContact O-N 3.03Å; V120-A124 PolarHBondContact O-N 3.18Å
121	I	98.2	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-42.8	178.8	-58.3	-43	0	0	0	111.3	F73 I117 H118 T123 A124 I125 M171 R172 L175	F73-I121 HydrophobicContact CE2-CD1 3.57Å; F73-I121 HydrophobicContact CZ-CD1 3.44Å; F73-I121 VanDerWaalsContact CZ-CD1 3.44Å; I117-I121 HydrophobicContact CD1-CD1 3.98Å; I117-I121 HydrophobicContact CD1-CG1 4.27Å; I117-I121 HydrophobicContact CG1-CD1 4.43Å; I117-I121 HydrophobicContact CG1-CG1 4.23Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.34Å; H118-I121 PolarHBondContact O-N 2.99Å; I121-T123 VanDerWaalsContact C-N 3.28Å; I121-T123 PolarHBondContact O-N 3.45Å; I121-A124 PolarHBondContact O-N 3Å; I121-I125 HydrophobicContact CG2-CD1 3.89Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 WeakPolarHBondContact O-CG1 3.42Å; I121-I125 PolarHBondContact O-N 2.93Å; I121-M171 HydrophobicContact CD1-CG 4.32Å; I121-M171 HydrophobicContact CD1-SD 3.32Å; I121-M171 WeakPolarHBondContact CD1-SD 3.3Å; I121-M171 HydrophobicContact CG1-SD 4.12Å; I121-R172 HydrophobicContact CG2-CB 3.82Å; I121-R172 HydrophobicContact CG2-CG 4.34Å; I121-L175 HydrophobicContact CG1-CD1 3.73Å
122	D	97.6	Very high	96.6	Very high	68 Å²	68	43.3 Å²	43.3	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-36.8	178.4	-78.9	1.2	0	0	0	111.5	H118 V120 G126 R172	H118-D122 WeakPolarHBondContact O-CB 3.29Å; H118-D122 PolarHBondContact O-N 3.04Å; V120-D122 PolarHBondContact O-N 2.97Å; D122-G126 PolarHBondContact O-N 3.17Å; D122-R172 WeakPolarHBondContact OD1-CD 2.99Å; D122-R172 IonicContact OD1-CZ 3.92Å; D122-R172 VanDerWaalsContact OD1-CZ 3.29Å; D122-R172 IonicContact OD1-NE 2.87Å; D122-R172 PolarHBondContact OD1-NE 3.12Å; D122-R172 IonicContact OD1-NH2 3.11Å; D122-R172 PolarHBondContact OD1-NH2 3.08Å; D122-R172 IonicContact OD2-CZ 3.73Å; D122-R172 IonicContact OD2-NE 2.85Å; D122-R172 IonicContact OD2-NH2 3.51Å; D122-R172 PolarHBondContact OD2-NH2 3.39Å; D122-R172 VanDerWaalsContact OD2-NH2 3.11Å
123	T	97.4	Very high	97.1	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-44	174.1	-59.2	0	0	0	0	111.5	I51 M55 V110 F114 E119 V120 I121 G126 K127	I51-T123 HydrophobicContact CG2-CG2 4.35Å; M55-T123 HydrophobicContact CE-CG2 3.38Å; V110-T123 HydrophobicContact CB-CG2 4.43Å; V110-T123 HydrophobicContact CG1-CG2 4.01Å; V110-T123 HydrophobicContact CG2-CG2 3.86Å; F114-T123 HydrophobicContact CE1-CG2 4.18Å; F114-T123 HydrophobicContact CZ-CG2 4.39Å; E119-T123 VanDerWaalsContact O-CB 3.3Å; E119-T123 WeakPolarHBondContact O-CB 3.37Å; E119-T123 PolarHBondContact O-N 3.18Å; E119-T123 PolarHBondContact O-OG1 3.35Å; V120-T123 PolarHBondContact O-N 3.03Å; I121-T123 VanDerWaalsContact C-N 3.28Å; I121-T123 PolarHBondContact O-N 3.45Å; T123-G126 PolarHBondContact O-N 3.03Å; T123-K127 PolarHBondContact O-N 2.85Å
124	A	98.1	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-47.2	176.5	0	0	0	0	0	111.6	Y52 M55 F73 V120 I121 G126 K127 E128 L168	Y52-A124 HydrophobicContact CE1-CB 3.7Å; M55-A124 HydrophobicContact CE-CB 4Å; M55-A124 HydrophobicContact SD-CB 4.3Å; F73-A124 HydrophobicContact CE1-CB 3.8Å; F73-A124 HydrophobicContact CZ-CB 4.17Å; V120-A124 PolarHBondContact O-N 3.18Å; I121-A124 PolarHBondContact O-N 3Å; A124-G126 VanDerWaalsContact C-N 3.29Å; A124-G126 PolarHBondContact O-N 3.45Å; A124-K127 PolarHBondContact O-N 2.56Å; A124-E128 WeakPolarHBondContact O-CG 3.41Å; A124-E128 PolarHBondContact O-N 2.69Å; A124-L168 HydrophobicContact CB-CD1 4.01Å; A124-L168 HydrophobicContact CB-CD2 4.17Å
125	I	98.3	Very high	97.6	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.087	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-43.6	175.1	-68.4	168.6	0	0	0	110.9	I121 E128 L129 L168 R169 R172	I121-I125 HydrophobicContact CG2-CD1 3.89Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 WeakPolarHBondContact O-CG1 3.42Å; I121-I125 PolarHBondContact O-N 2.93Å; I125-E128 PolarHBondContact O-N 2.87Å; I125-L129 HydrophobicContact CG2-CD1 3.88Å; I125-L129 HydrophobicContact CG2-CG 4.33Å; I125-L129 WeakPolarHBondContact O-CB 3.33Å; I125-L129 WeakPolarHBondContact O-CG 3.27Å; I125-L129 PolarHBondContact O-N 3.44Å; I125-L168 HydrophobicContact CD1-CB 4.24Å; I125-L168 HydrophobicContact CG1-CB 3.59Å; I125-L168 HydrophobicContact CG1-CD1 4.2Å; I125-R169 HydrophobicContact CD1-CG 4.31Å; I125-R172 HydrophobicContact CD1-CB 4.13Å; I125-R172 HydrophobicContact CD1-CG 4.45Å
126	G	97	Very high	97.8	Very high	39 Å²	39	33.9 Å²	33.9	40%	0.402	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-48.6	176.6	0	0	0	0	0	112.1	D122 T123 A124 L129 E130	D122-G126 PolarHBondContact O-N 3.17Å; T123-G126 PolarHBondContact O-N 3.03Å; A124-G126 VanDerWaalsContact C-N 3.29Å; A124-G126 PolarHBondContact O-N 3.45Å; G126-L129 PolarHBondContact O-N 3.46Å; G126-E130 PolarHBondContact O-N 3.49Å; G126-E130 VanDerWaalsContact O-N 3.16Å
127	K	97	Very high	97.9	Very high	10 Å²	10	33.6 Å²	33.6	4%	0.043	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-45.5	178.9	-175	57.2	-179.7	-179.6	0	112.2	N44 E47 A48 I51 T123 A124 L129 E130 V131	N44-K127 WeakPolarHBondContact OD1-CE 3.37Å; N44-K127 PolarHBondContact OD1-NZ 3.24Å; E47-K127 IonicContact OE2-NZ 3.07Å; A48-K127 HydrophobicContact CB-CG 4Å; I51-K127 HydrophobicContact CD1-CD 3.74Å; I51-K127 HydrophobicContact CD1-CG 4.05Å; T123-K127 PolarHBondContact O-N 2.85Å; A124-K127 PolarHBondContact O-N 2.56Å; K127-L129 VanDerWaalsContact C-N 3.27Å; K127-L129 PolarHBondContact O-N 3.08Å; K127-E130 IonicContact NZ-OE1 3.29Å; K127-E130 PolarHBondContact NZ-OE1 2.95Å; K127-E130 WeakPolarHBondContact O-CB 3.42Å; K127-E130 PolarHBondContact O-N 3.3Å; K127-E130 VanDerWaalsContact O-N 3.08Å; K127-V131 HydrophobicContact CD-CG2 4.4Å; K127-V131 HydrophobicContact CG-CG2 4.44Å; K127-V131 WeakPolarHBondContact O-CG2 3.37Å; K127-V131 PolarHBondContact O-N 2.93Å
128	E	98.2	Very high	98	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-36	177.9	-70.8	-52.9	147.9	0	0	113	Y52 A124 I125 T132 Q161 V165 L168	Y52-E128 WeakPolarHBondContact OH-CG 3.49Å; Y52-E128 PolarHBondContact OH-OE1 3.48Å; A124-E128 WeakPolarHBondContact O-CG 3.41Å; A124-E128 PolarHBondContact O-N 2.69Å; I125-E128 PolarHBondContact O-N 2.87Å; E128-T132 VanDerWaalsContact O-CB 3.32Å; E128-T132 WeakPolarHBondContact O-CB 3.39Å; E128-T132 PolarHBondContact O-N 2.95Å; E128-T132 PolarHBondContact O-OG1 3.2Å; E128-Q161 PolarHBondContact O-NE2 2.96Å; E128-Q161 PolarHBondContact OE2-NE2 3.33Å; E128-V165 HydrophobicContact CB-CG2 3.67Å; E128-L168 HydrophobicContact CB-CD1 4.4Å; E128-L168 HydrophobicContact CG-CD1 3.54Å
129	L	98.2	Very high	98	Very high	75 Å²	75	32.8 Å²	32.8	39%	0.393	19%	0.193	S	C	.	.	H	α-helix	trans	-68.2	-35.9	175.6	-70.2	173.6	0	0	0	112.2	I125 G126 K127 A133 V165	I125-L129 HydrophobicContact CG2-CD1 3.88Å; I125-L129 HydrophobicContact CG2-CG 4.33Å; I125-L129 WeakPolarHBondContact O-CB 3.33Å; I125-L129 WeakPolarHBondContact O-CG 3.27Å; I125-L129 PolarHBondContact O-N 3.44Å; G126-L129 PolarHBondContact O-N 3.46Å; K127-L129 VanDerWaalsContact C-N 3.27Å; K127-L129 PolarHBondContact O-N 3.08Å; L129-A133 WeakPolarHBondContact O-CB 3.4Å; L129-A133 PolarHBondContact O-N 2.81Å; L129-V165 HydrophobicContact CD2-CG1 4.13Å; L129-V165 HydrophobicContact CD2-CG2 4.33Å
130	E	96.9	Very high	98.1	Very high	75 Å²	75	37.6 Å²	37.6	35%	0.35	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-49.3	173.4	-176.7	-170.8	116.6	0	0	111.3	N44 G126 K127 T132 A133 H134	N44-E130 PolarHBondContact OD1-OE1 3.1Å; G126-E130 PolarHBondContact O-N 3.49Å; G126-E130 VanDerWaalsContact O-N 3.16Å; K127-E130 IonicContact NZ-OE1 3.29Å; K127-E130 PolarHBondContact NZ-OE1 2.95Å; K127-E130 WeakPolarHBondContact O-CB 3.42Å; K127-E130 PolarHBondContact O-N 3.3Å; K127-E130 VanDerWaalsContact O-N 3.08Å; E130-T132 VanDerWaalsContact C-N 3.31Å; E130-T132 PolarHBondContact O-N 3.27Å; E130-A133 WeakPolarHBondContact O-CB 3.36Å; E130-A133 PolarHBondContact O-N 2.84Å; E130-A133 VanDerWaalsContact O-N 3.08Å; E130-H134 PolarHBondContact O-N 3.12Å
131	V	98	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54	-49	173.7	173.1	0	0	0	0	110.6	N44 A48 K127 A133 H134 I135	N44-V131 WeakPolarHBondContact ND2-CA 3.44Å; A48-V131 HydrophobicContact CB-CG2 4.48Å; K127-V131 HydrophobicContact CD-CG2 4.4Å; K127-V131 HydrophobicContact CG-CG2 4.44Å; K127-V131 WeakPolarHBondContact O-CG2 3.37Å; K127-V131 PolarHBondContact O-N 2.93Å; V131-A133 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 3.36Å; V131-H134 PolarHBondContact O-N 2.91Å; V131-I135 HydrophobicContact CG1-CD1 3.89Å; V131-I135 WeakPolarHBondContact O-CG1 3.49Å; V131-I135 PolarHBondContact O-N 2.97Å
132	T	98.4	Very high	98.1	Very high	29 Å²	29	39.6 Å²	39.6	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-42.2	176.8	-54.4	0	0	0	0	112.1	E128 E130 N136 Q161	E128-T132 VanDerWaalsContact O-CB 3.32Å; E128-T132 WeakPolarHBondContact O-CB 3.39Å; E128-T132 PolarHBondContact O-N 2.95Å; E128-T132 PolarHBondContact O-OG1 3.2Å; E130-T132 VanDerWaalsContact C-N 3.31Å; E130-T132 PolarHBondContact O-N 3.27Å; T132-N136 WeakPolarHBondContact O-CB 3.26Å; T132-N136 PolarHBondContact O-N 2.61Å; T132-N136 PolarHBondContact O-ND2 3.38Å; T132-Q161 HydrophobicContact CG2-CB 4.23Å; T132-Q161 WeakPolarHBondContact OG1-CB 3.47Å; T132-Q161 PolarHBondContact OG1-NE2 2.99Å
133	A	98.5	Very high	98.2	Very high	55 Å²	55	39.1 Å²	39.1	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-66.1	-39.8	179.5	0	0	0	0	0	112	L129 E130 V131 N136 A137	L129-A133 WeakPolarHBondContact O-CB 3.4Å; L129-A133 PolarHBondContact O-N 2.81Å; E130-A133 WeakPolarHBondContact O-CB 3.36Å; E130-A133 PolarHBondContact O-N 2.84Å; E130-A133 VanDerWaalsContact O-N 3.08Å; V131-A133 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 3.36Å; A133-N136 PolarHBondContact O-N 2.99Å; A133-A137 WeakPolarHBondContact O-CB 3.49Å; A133-A137 PolarHBondContact O-N 3.08Å
134	H	98.3	Very high	98.2	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.389	25%	0.25	S	C	.	.	H	α-helix	trans	-66.1	-46	177	-70.6	-174.6	0	0	0	111.7	Q41 N44 E130 V131 N136 A137 L138	Q41-H134 VanDerWaalsContact OE1-CB 3.23Å; N44-H134 PolarHBondContact ND2-ND1 2.99Å; E130-H134 PolarHBondContact O-N 3.12Å; V131-H134 PolarHBondContact O-N 2.91Å; H134-N136 VanDerWaalsContact C-N 3.32Å; H134-N136 PolarHBondContact O-N 3.23Å; H134-A137 PolarHBondContact O-N 2.96Å; H134-A137 VanDerWaalsContact O-N 3.12Å; H134-L138 WeakPolarHBondContact O-CB 3.31Å; H134-L138 PolarHBondContact O-N 2.9Å
135	I	98.7	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-43.1	175.5	-64.7	170.3	0	0	0	110.7	Q41 V131 A137 L138 H139 L154 F157 L158 Q161	Q41-I135 HydrophobicContact CG-CG1 4.34Å; V131-I135 HydrophobicContact CG1-CD1 3.89Å; V131-I135 WeakPolarHBondContact O-CG1 3.49Å; V131-I135 PolarHBondContact O-N 2.97Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 3.3Å; I135-L138 PolarHBondContact O-N 3.18Å; I135-H139 WeakPolarHBondContact O-CB 3.43Å; I135-H139 PolarHBondContact O-N 3.31Å; I135-L154 HydrophobicContact CG2-CB 4.37Å; I135-L154 HydrophobicContact CG2-CD2 4.21Å; I135-F157 HydrophobicContact CD1-CB 4.05Å; I135-L158 HydrophobicContact CB-CD2 4.34Å; I135-L158 HydrophobicContact CG2-CD2 3.62Å; I135-L158 HydrophobicContact CG2-CG 3.75Å; I135-Q161 HydrophobicContact CD1-CG 3.93Å
136	N	98.6	Very high	98	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-39	175.7	-87.5	-78.7	0	0	0	113	T132 A133 H134 K140 L158	T132-N136 WeakPolarHBondContact O-CB 3.26Å; T132-N136 PolarHBondContact O-N 2.61Å; T132-N136 PolarHBondContact O-ND2 3.38Å; A133-N136 PolarHBondContact O-N 2.99Å; H134-N136 VanDerWaalsContact C-N 3.32Å; H134-N136 PolarHBondContact O-N 3.23Å; N136-K140 WeakPolarHBondContact O-CG 3.19Å; N136-K140 PolarHBondContact O-N 3.07Å; N136-L158 WeakPolarHBondContact ND2-CD2 3.45Å
137	A	98.7	Very high	98	Very high	58 Å²	58	53 Å²	53	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-43	176.5	0	0	0	0	0	111.2	A133 H134 I135 K140 L141	A133-A137 WeakPolarHBondContact O-CB 3.49Å; A133-A137 PolarHBondContact O-N 3.08Å; H134-A137 PolarHBondContact O-N 2.96Å; H134-A137 VanDerWaalsContact O-N 3.12Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 3.3Å; A137-K140 PolarHBondContact O-N 3.43Å; A137-L141 PolarHBondContact O-N 2.99Å
138	L	98.8	Very high	98.1	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-41.6	176.9	-176	56.6	0	0	0	112	L38 Q41 H134 I135 K140 L141 A142 L154	L38-L138 HydrophobicContact CD2-CD2 3.77Å; L38-L138 HydrophobicContact CG-CD2 4Å; Q41-L138 HydrophobicContact CB-CD2 4.2Å; H134-L138 WeakPolarHBondContact O-CB 3.31Å; H134-L138 PolarHBondContact O-N 2.9Å; I135-L138 PolarHBondContact O-N 3.18Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.43Å; L138-L141 HydrophobicContact CD1-CD2 4.34Å; L138-L141 WeakPolarHBondContact O-CB 3.48Å; L138-L141 PolarHBondContact O-N 2.92Å; L138-L141 VanDerWaalsContact O-N 3.12Å; L138-A142 PolarHBondContact O-N 3.41Å; L138-L154 HydrophobicContact CB-CD1 4.28Å; L138-L154 HydrophobicContact CD2-CD1 4.19Å; L138-L154 HydrophobicContact CD2-CD2 3.94Å; L138-L154 HydrophobicContact CG-CD1 3.82Å; L138-L154 HydrophobicContact CG-CD2 4.45Å
139	H	98.7	Very high	98.1	Very high	35 Å²	35	59.2 Å²	59.2	16%	0.162	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-41.5	175.3	179.2	-84.1	0	0	0	111.6	I135 A142 S143 Q151 L154 D155 L158	I135-H139 WeakPolarHBondContact O-CB 3.43Å; I135-H139 PolarHBondContact O-N 3.31Å; H139-A142 PolarHBondContact O-N 3.45Å; H139-S143 PolarHBondContact O-N 2.98Å; H139-Q151 PolarHBondContact CE1-NE2 3.24Å; H139-Q151 PolarHBondContact NE2-NE2 3.28Å; H139-L154 HydrophobicContact CB-CB 4.47Å; H139-L154 HydrophobicContact CB-CD1 4Å; H139-D155 IonicContact CD2-OD1 3.57Å; H139-D155 IonicContact NE2-OD1 3.58Å; H139-D155 PolarHBondContact NE2-OD1 3.49Å; H139-L158 HydrophobicContact CB-CD1 4.44Å
140	K	98.7	Very high	98.1	Very high	147 Å²	147	55.7 Å²	55.7	64%	0.639	31%	0.309	S	S	*	.	H	α-helix	trans	-64	-38.9	173.2	-71.4	169.5	-174.4	172.5	0	112.5	N136 A137 L138 S143 K144	N136-K140 WeakPolarHBondContact O-CG 3.19Å; N136-K140 PolarHBondContact O-N 3.07Å; A137-K140 PolarHBondContact O-N 3.43Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.43Å; K140-S143 PolarHBondContact O-N 3.38Å; K140-K144 PolarHBondContact O-N 3.33Å
141	L	98.6	Very high	98.1	Very high	42 Å²	42	54.1 Å²	54.1	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-47.5	176.5	178.7	60.9	0	0	0	111.1	Q33 V34 A137 L138 S143 K144 M145	Q33-L141 HydrophobicContact CB-CD1 4.13Å; Q33-L141 HydrophobicContact CB-CD2 4.09Å; Q33-L141 HydrophobicContact CB-CG 4.47Å; Q33-L141 WeakPolarHBondContact O-CD2 3.48Å; V34-L141 HydrophobicContact CG2-CG 4.32Å; A137-L141 PolarHBondContact O-N 2.99Å; L138-L141 HydrophobicContact CD1-CD2 4.34Å; L138-L141 WeakPolarHBondContact O-CB 3.48Å; L138-L141 PolarHBondContact O-N 2.92Å; L138-L141 VanDerWaalsContact O-N 3.12Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 2.79Å; L141-K144 WeakPolarHBondContact O-CB 3.42Å; L141-K144 PolarHBondContact O-N 3.47Å; L141-K144 VanDerWaalsContact O-N 3.11Å; L141-M145 HydrophobicContact CD1-CG 4.36Å; L141-M145 WeakPolarHBondContact O-CG 3.44Å; L141-M145 PolarHBondContact O-N 3.29Å
142	A	98.4	Very high	98.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.3	-43.9	175.2	0	0	0	0	0	111.5	L138 H139 K144 M145 N146 D147 T150 Q151	L138-A142 PolarHBondContact O-N 3.41Å; H139-A142 PolarHBondContact O-N 3.45Å; A142-K144 PolarHBondContact O-N 3.18Å; A142-M145 CarbonylContact O-C 3.47Å; A142-M145 PolarHBondContact O-N 3.06Å; A142-N146 PolarHBondContact O-N 3.11Å; A142-N146 VanDerWaalsContact O-N 3.12Å; A142-D147 HydrophobicContact CB-CB 4.39Å; A142-D147 PolarHBondContact O-N 3.25Å; A142-T150 HydrophobicContact CB-CG2 3.9Å; A142-Q151 HydrophobicContact CB-CG 3.81Å
143	S	98.1	Very high	98.2	Very high	58 Å²	58	60 Å²	60	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-44.5	174.7	-171.8	0	0	0	0	113.1	H139 K140 L141 M145 N146 Q151	H139-S143 PolarHBondContact O-N 2.98Å; K140-S143 PolarHBondContact O-N 3.38Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 2.79Å; S143-M145 PolarHBondContact O-N 2.93Å; S143-N146 PolarHBondContact O-N 3.29Å; S143-Q151 VanDerWaalsContact CA-OE1 3.27Å
144	K	98.2	Very high	98.2	Very high	151 Å²	151	57.4 Å²	57.4	66%	0.657	31%	0.309	S	S	*	.	H	α-helix	trans	-60.6	-33.1	176.6	-178.5	-173.6	171.2	-162.1	0	112.2	K140 L141 A142 N146	K140-K144 PolarHBondContact O-N 3.33Å; L141-K144 WeakPolarHBondContact O-CB 3.42Å; L141-K144 PolarHBondContact O-N 3.47Å; L141-K144 VanDerWaalsContact O-N 3.11Å; A142-K144 PolarHBondContact O-N 3.18Å; K144-N146 VanDerWaalsContact C-N 3.31Å
145	M	96.6	Very high	98.2	Very high	60 Å²	60	56.8 Å²	56.8	30%	0.296	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.9	177.6	-56.6	-44.6	-72.2	0	0	113.3	D31 V34 L141 A142 S143 D147	D31-M145 HydrophobicContact CB-CB 4.36Å; D31-M145 HydrophobicContact CB-CE 4.24Å; D31-M145 HydrophobicContact CB-CG 4.39Å; D31-M145 WeakPolarHBondContact OD2-CE 3.21Å; V34-M145 HydrophobicContact CG2-CB 4.13Å; V34-M145 HydrophobicContact CG2-CG 4.03Å; L141-M145 HydrophobicContact CD1-CG 4.36Å; L141-M145 WeakPolarHBondContact O-CG 3.44Å; L141-M145 PolarHBondContact O-N 3.29Å; A142-M145 CarbonylContact O-C 3.47Å; A142-M145 PolarHBondContact O-N 3.06Å; S143-M145 PolarHBondContact O-N 2.93Å; M145-D147 PolarHBondContact O-N 2.94Å
146	N	96	Very high	98.2	Very high	145 Å²	145	62.2 Å²	62.2	78%	0.775	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	26.6	-176.1	-51.2	-71	0	0	0	114.1	A142 S143 K144 A148	A142-N146 PolarHBondContact O-N 3.11Å; A142-N146 VanDerWaalsContact O-N 3.12Å; S143-N146 PolarHBondContact O-N 3.29Å; K144-N146 VanDerWaalsContact C-N 3.31Å; N146-A148 PolarHBondContact O-N 2.91Å; N146-A148 VanDerWaalsContact O-N 3.16Å
147	D	97.1	Very high	98.2	Very high	16 Å²	16	59.6 Å²	59.6	9%	0.086	32%	0.323	C	S	.	.			trans	-88.9	76.7	178.3	-171.3	-6.2	0	0	0	110.9	L30 R94 A142 M145 T149 T150 Q151	L30-D147 WeakPolarHBondContact CD2-OD2 3.32Å; R94-D147 IonicContact CZ-OD1 3.67Å; R94-D147 IonicContact CZ-OD2 3.97Å; R94-D147 IonicContact NH1-OD1 3.1Å; R94-D147 PolarHBondContact NH1-OD1 2.91Å; R94-D147 VanDerWaalsContact NH1-OD1 3.1Å; R94-D147 IonicContact NH1-OD2 3.6Å; R94-D147 IonicContact NH2-OD1 3.26Å; R94-D147 PolarHBondContact NH2-OD1 2.9Å; R94-D147 IonicContact NH2-OD2 3.57Å; A142-D147 HydrophobicContact CB-CB 4.39Å; A142-D147 PolarHBondContact O-N 3.25Å; M145-D147 PolarHBondContact O-N 2.94Å; D147-T149 PolarHBondContact O-N 2.97Å; D147-T149 PolarHBondContact OD1-N 3.04Å; D147-T150 VanDerWaalsContact CG-CB 3.48Å; D147-T150 PolarHBondContact O-N 2.92Å; D147-T150 PolarHBondContact OD1-N 3.35Å; D147-T150 PolarHBondContact OD1-OG1 3.37Å; D147-T150 VanDerWaalsContact OD2-CB 3.26Å; D147-T150 WeakPolarHBondContact OD2-CB 3.48Å; D147-T150 PolarHBondContact OD2-OG1 3.42Å; D147-Q151 PolarHBondContact O-N 3.46Å; D147-Q151 VanDerWaalsContact O-N 3.09Å
148	A	97.6	Very high	98.2	Very high	65 Å²	65	58.1 Å²	58.1	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-27.5	179.2	0	0	0	0	0	113.1	N146 Q151 D152	N146-A148 PolarHBondContact O-N 2.91Å; N146-A148 VanDerWaalsContact O-N 3.16Å; A148-Q151 PolarHBondContact O-N 3.19Å; A148-D152 WeakPolarHBondContact O-CB 3.48Å; A148-D152 PolarHBondContact O-N 3.28Å
149	T	98.1	Very high	98.1	Very high	78 Å²	78	63.8 Å²	63.8	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-73.3	-38.1	179.5	-60.4	0	0	0	0	111.2	F90 R94 D147 F153	F90-T149 HydrophobicContact CE2-CG2 4.36Å; F90-T149 HydrophobicContact CZ-CG2 4.39Å; R94-T149 VanDerWaalsContact NH1-CG2 3.26Å; D147-T149 PolarHBondContact O-N 2.97Å; D147-T149 PolarHBondContact OD1-N 3.04Å; T149-F153 WeakPolarHBondContact O-CB 3.41Å; T149-F153 PolarHBondContact O-N 3.2Å
150	T	98.4	Very high	98.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.5	-35.5	172.6	-62.4	0	0	0	0	111.5	L30 V34 L38 F90 R94 A142 D147 F153 L154	L30-T150 WeakPolarHBondContact CD2-OG1 3.28Å; V34-T150 HydrophobicContact CG1-CG2 3.75Å; L38-T150 HydrophobicContact CD1-CG2 4.31Å; F90-T150 HydrophobicContact CE1-CG2 4.17Å; F90-T150 WeakPolarHBondContact CE1-OG1 3.24Å; R94-T150 PolarHBondContact NH1-OG1 3.16Å; A142-T150 HydrophobicContact CB-CG2 3.9Å; D147-T150 VanDerWaalsContact CG-CB 3.48Å; D147-T150 PolarHBondContact O-N 2.92Å; D147-T150 PolarHBondContact OD1-N 3.35Å; D147-T150 PolarHBondContact OD1-OG1 3.37Å; D147-T150 VanDerWaalsContact OD2-CB 3.26Å; D147-T150 WeakPolarHBondContact OD2-CB 3.48Å; D147-T150 PolarHBondContact OD2-OG1 3.42Å; T150-F153 PolarHBondContact O-N 3.4Å; T150-L154 HydrophobicContact CG2-CD1 3.83Å; T150-L154 HydrophobicContact CG2-CG 4.29Å; T150-L154 WeakPolarHBondContact O-CD1 3.32Å; T150-L154 WeakPolarHBondContact O-CG 3.5Å; T150-L154 PolarHBondContact O-N 3.13Å
151	Q	98.6	Very high	98.1	Very high	43 Å²	43	58.3 Å²	58.3	20%	0.201	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-51.4	171.8	-69.9	-168	-104.4	0	0	112.1	H139 A142 S143 D147 A148 F153 L154 D155	H139-Q151 PolarHBondContact CE1-NE2 3.24Å; H139-Q151 PolarHBondContact NE2-NE2 3.28Å; A142-Q151 HydrophobicContact CB-CG 3.81Å; S143-Q151 VanDerWaalsContact CA-OE1 3.27Å; D147-Q151 PolarHBondContact O-N 3.46Å; D147-Q151 VanDerWaalsContact O-N 3.09Å; A148-Q151 PolarHBondContact O-N 3.19Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; Q151-F153 PolarHBondContact O-N 3.16Å; Q151-L154 PolarHBondContact O-N 3.5Å; Q151-D155 PolarHBondContact O-N 2.9Å
152	D	98.4	Very high	98.1	Very high	116 Å²	116	60.5 Å²	60.5	62%	0.62	33%	0.325	S	S	*	.	H	α-helix	trans	-56.1	-44.2	177.7	-178.6	76	0	0	0	111.9	A148 L154 D155	A148-D152 WeakPolarHBondContact O-CB 3.48Å; A148-D152 PolarHBondContact O-N 3.28Å; D152-L154 VanDerWaalsContact C-N 3.33Å; D152-L154 PolarHBondContact O-N 3.4Å; D152-D155 PolarHBondContact O-N 2.91Å
153	F	98.6	Very high	98.1	Very high	36 Å²	36	65.7 Å²	65.7	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-39.4	174.8	171.5	-106.2	0	0	0	113.2	L38 F87 F90 T149 T150 Q151 F157	L38-F153 HydrophobicContact CD2-CE1 4.35Å; F87-F153 AromaticContact CD1-CE1 3.55Å; F87-F153 HydrophobicContact CD1-CE1 3.55Å; F87-F153 HydrophobicContact CD1-CZ 4.03Å; F87-F153 HydrophobicContact CE1-CD1 4.5Å; F87-F153 AromaticContact CE1-CE1 3.59Å; F87-F153 HydrophobicContact CE1-CE1 3.59Å; F87-F153 HydrophobicContact CE1-CZ 4.29Å; F87-F153 HydrophobicContact CG-CE1 4.26Å; F87-F153 HydrophobicContact CG-CZ 4.29Å; F87-F153 HydrophobicContact CZ-CE1 4.32Å; F90-F153 HydrophobicContact CB-CD1 4.34Å; F90-F153 HydrophobicContact CB-CD2 4.22Å; F90-F153 HydrophobicContact CB-CE1 3.88Å; F90-F153 HydrophobicContact CB-CE2 3.73Å; F90-F153 HydrophobicContact CB-CZ 3.55Å; F90-F153 AromaticContact CD1-CD1 3.69Å; F90-F153 HydrophobicContact CD1-CD1 3.69Å; F90-F153 AromaticContact CD1-CE1 3.83Å; F90-F153 HydrophobicContact CD1-CE1 3.83Å; F90-F153 HydrophobicContact CD1-CG 4.13Å; F90-F153 HydrophobicContact CD1-CZ 4.38Å; F90-F153 HydrophobicContact CD2-CB 3.96Å; F90-F153 AromaticContact CD2-CD1 3.94Å; F90-F153 HydrophobicContact CD2-CD1 3.94Å; F90-F153 AromaticContact CD2-CD2 3.48Å; F90-F153 HydrophobicContact CD2-CD2 3.48Å; F90-F153 VanDerWaalsContact CD2-CD2 3.48Å; F90-F153 HydrophobicContact CD2-CE1 4.31Å; F90-F153 AromaticContact CD2-CE2 3.9Å; F90-F153 HydrophobicContact CD2-CE2 3.9Å; F90-F153 AromaticContact CD2-CG 3.5Å; F90-F153 HydrophobicContact CD2-CG 3.5Å; F90-F153 VanDerWaalsContact CD2-CG 3.5Å; F90-F153 HydrophobicContact CD2-CZ 4.3Å; F90-F153 HydrophobicContact CE1-CB 4.38Å; F90-F153 AromaticContact CE1-CD1 3.88Å; F90-F153 HydrophobicContact CE1-CD1 3.88Å; F90-F153 HydrophobicContact CE1-CE1 4.46Å; F90-F153 HydrophobicContact CE1-CG 4.2Å; F90-F153 HydrophobicContact CE2-CB 3.5Å; F90-F153 VanDerWaalsContact CE2-CB 3.5Å; F90-F153 HydrophobicContact CE2-CD1 4.12Å; F90-F153 AromaticContact CE2-CD2 3.96Å; F90-F153 HydrophobicContact CE2-CD2 3.96Å; F90-F153 AromaticContact CE2-CG 3.58Å; F90-F153 HydrophobicContact CE2-CG 3.58Å; F90-F153 AromaticContact CG-CD1 3.72Å; F90-F153 HydrophobicContact CG-CD1 3.72Å; F90-F153 AromaticContact CG-CD2 3.88Å; F90-F153 HydrophobicContact CG-CD2 3.88Å; F90-F153 AromaticContact CG-CE1 3.74Å; F90-F153 HydrophobicContact CG-CE1 3.74Å; F90-F153 AromaticContact CG-CE2 3.89Å; F90-F153 HydrophobicContact CG-CE2 3.89Å; F90-F153 AromaticContact CG-CG 3.78Å; F90-F153 HydrophobicContact CG-CG 3.78Å; F90-F153 AromaticContact CG-CZ 3.84Å; F90-F153 HydrophobicContact CG-CZ 3.84Å; F90-F153 HydrophobicContact CZ-CB 3.74Å; F90-F153 HydrophobicContact CZ-CD1 4.09Å; F90-F153 AromaticContact CZ-CG 3.94Å; F90-F153 HydrophobicContact CZ-CG 3.94Å; T149-F153 WeakPolarHBondContact O-CB 3.41Å; T149-F153 PolarHBondContact O-N 3.2Å; T150-F153 PolarHBondContact O-N 3.4Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; Q151-F153 PolarHBondContact O-N 3.16Å; F153-F157 HydrophobicContact CD2-CE2 4.22Å; F153-F157 AromaticContact CE1-CE2 3.93Å; F153-F157 HydrophobicContact CE1-CE2 3.93Å; F153-F157 AromaticContact CE2-CE2 3.6Å; F153-F157 HydrophobicContact CE2-CE2 3.6Å; F153-F157 HydrophobicContact CE2-CZ 4.22Å; F153-F157 HydrophobicContact CZ-CD2 4.41Å; F153-F157 AromaticContact CZ-CE2 3.42Å; F153-F157 HydrophobicContact CZ-CE2 3.42Å; F153-F157 VanDerWaalsContact CZ-CE2 3.42Å; F153-F157 AromaticContact CZ-CZ 3.89Å; F153-F157 HydrophobicContact CZ-CZ 3.89Å; F153-F157 VanDerWaalsContact O-CD2 3.3Å; F153-F157 WeakPolarHBondContact O-CD2 3.49Å
154	L	98.8	Very high	98	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-77.9	-23.8	-178.9	-65.6	166.7	0	0	0	113.1	F87 I135 L138 H139 T150 Q151 D152 D156 F157 L158	F87-L154 HydrophobicContact CE1-CD2 3.61Å; F87-L154 HydrophobicContact CZ-CD2 4Å; I135-L154 HydrophobicContact CG2-CB 4.37Å; I135-L154 HydrophobicContact CG2-CD2 4.21Å; L138-L154 HydrophobicContact CB-CD1 4.28Å; L138-L154 HydrophobicContact CD2-CD1 4.19Å; L138-L154 HydrophobicContact CD2-CD2 3.94Å; L138-L154 HydrophobicContact CG-CD1 3.82Å; L138-L154 HydrophobicContact CG-CD2 4.45Å; H139-L154 HydrophobicContact CB-CB 4.47Å; H139-L154 HydrophobicContact CB-CD1 4Å; T150-L154 HydrophobicContact CG2-CD1 3.83Å; T150-L154 HydrophobicContact CG2-CG 4.29Å; T150-L154 WeakPolarHBondContact O-CD1 3.32Å; T150-L154 WeakPolarHBondContact O-CG 3.5Å; T150-L154 PolarHBondContact O-N 3.13Å; Q151-L154 PolarHBondContact O-N 3.5Å; D152-L154 VanDerWaalsContact C-N 3.33Å; D152-L154 PolarHBondContact O-N 3.4Å; L154-D156 VanDerWaalsContact C-N 3.29Å; L154-D156 PolarHBondContact O-N 3.45Å; L154-F157 PolarHBondContact O-N 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.9Å
155	D	98.6	Very high	98	Very high	71 Å²	71	57.6 Å²	57.6	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-37.9	-178.8	-80.3	-21.7	0	0	0	112.2	H139 Q151 D152 L158 Q159	H139-D155 IonicContact CD2-OD1 3.57Å; H139-D155 IonicContact NE2-OD1 3.58Å; H139-D155 PolarHBondContact NE2-OD1 3.49Å; Q151-D155 PolarHBondContact O-N 2.9Å; D152-D155 PolarHBondContact O-N 2.91Å; D155-L158 PolarHBondContact O-N 3.28Å; D155-Q159 PolarHBondContact O-N 2.97Å
156	D	97.6	Very high	98.1	Very high	115 Å²	115	58 Å²	58	62%	0.615	32%	0.323	S	S	*	.	H	α-helix	trans	-61.4	-47	174.9	-77.9	-16.3	0	0	0	111.3	L154 L158 Q159 E160	L154-D156 VanDerWaalsContact C-N 3.29Å; L154-D156 PolarHBondContact O-N 3.45Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.3Å; D156-Q159 PolarHBondContact O-N 2.99Å; D156-E160 WeakPolarHBondContact O-CG 3.45Å; D156-E160 PolarHBondContact O-N 2.7Å
157	F	98.6	Very high	98.3	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-35.7	177.6	-67.9	-92.1	0	0	0	112.4	H83 K86 F87 I135 F153 L154 Q159 E160 Q161	H83-F157 HydrophobicContact CB-CE1 4.15Å; K86-F157 HydrophobicContact CB-CZ 3.87Å; K86-F157 HydrophobicContact CD-CE1 4.18Å; K86-F157 HydrophobicContact CD-CZ 3.81Å; F87-F157 HydrophobicContact CD2-CE1 4.04Å; F87-F157 HydrophobicContact CD2-CZ 4.1Å; F87-F157 AromaticContact CE2-CD1 3.7Å; F87-F157 HydrophobicContact CE2-CD1 3.7Å; F87-F157 HydrophobicContact CE2-CD2 4.38Å; F87-F157 AromaticContact CE2-CE1 3.5Å; F87-F157 HydrophobicContact CE2-CE1 3.5Å; F87-F157 VanDerWaalsContact CE2-CE1 3.5Å; F87-F157 HydrophobicContact CE2-CE2 4.24Å; F87-F157 HydrophobicContact CE2-CG 4.14Å; F87-F157 AromaticContact CE2-CZ 3.79Å; F87-F157 HydrophobicContact CE2-CZ 3.79Å; F87-F157 HydrophobicContact CZ-CD1 4.11Å; F87-F157 HydrophobicContact CZ-CD2 4.13Å; F87-F157 HydrophobicContact CZ-CE1 4.19Å; F87-F157 HydrophobicContact CZ-CE2 4.24Å; F87-F157 HydrophobicContact CZ-CG 4.06Å; F87-F157 HydrophobicContact CZ-CZ 4.25Å; I135-F157 HydrophobicContact CD1-CB 4.05Å; F153-F157 HydrophobicContact CD2-CE2 4.22Å; F153-F157 AromaticContact CE1-CE2 3.93Å; F153-F157 HydrophobicContact CE1-CE2 3.93Å; F153-F157 AromaticContact CE2-CE2 3.6Å; F153-F157 HydrophobicContact CE2-CE2 3.6Å; F153-F157 HydrophobicContact CE2-CZ 4.22Å; F153-F157 HydrophobicContact CZ-CD2 4.41Å; F153-F157 AromaticContact CZ-CE2 3.42Å; F153-F157 HydrophobicContact CZ-CE2 3.42Å; F153-F157 VanDerWaalsContact CZ-CE2 3.42Å; F153-F157 AromaticContact CZ-CZ 3.89Å; F153-F157 HydrophobicContact CZ-CZ 3.89Å; F153-F157 VanDerWaalsContact O-CD2 3.3Å; F153-F157 WeakPolarHBondContact O-CD2 3.49Å; L154-F157 PolarHBondContact O-N 3.3Å; F157-Q159 VanDerWaalsContact C-N 3.26Å; F157-Q159 PolarHBondContact O-N 3.18Å; F157-E160 PolarHBondContact O-N 2.68Å; F157-Q161 WeakPolarHBondContact O-CG 3.49Å; F157-Q161 PolarHBondContact O-N 3.47Å
158	L	98.6	Very high	98.3	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-37.9	175.2	-75.2	170.7	0	0	0	111.7	I135 N136 H139 L154 D155 D156 V162	I135-L158 HydrophobicContact CB-CD2 4.34Å; I135-L158 HydrophobicContact CG2-CD2 3.62Å; I135-L158 HydrophobicContact CG2-CG 3.75Å; N136-L158 WeakPolarHBondContact ND2-CD2 3.45Å; H139-L158 HydrophobicContact CB-CD1 4.44Å; L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.9Å; D155-L158 PolarHBondContact O-N 3.28Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.86Å
159	Q	98.3	Very high	98.4	Very high	127 Å²	127	58.9 Å²	58.9	59%	0.593	30%	0.304	S	S	*	.	H	α-helix	trans	-72.4	-40.2	175.1	-61.9	-58.4	-19.8	0	0	112.2	D155 D156 F157 Q161 V162 N163	D155-Q159 PolarHBondContact O-N 2.97Å; D156-Q159 PolarHBondContact O-N 2.99Å; F157-Q159 VanDerWaalsContact C-N 3.26Å; F157-Q159 PolarHBondContact O-N 3.18Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å; Q159-Q161 PolarHBondContact O-N 3.41Å; Q159-V162 PolarHBondContact O-N 3.07Å; Q159-N163 PolarHBondContact O-N 3.05Å; Q159-N163 PolarHBondContact O-ND2 3.49Å
160	E	98.1	Very high	98.4	Very high	66 Å²	66	60.7 Å²	60.7	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-47	174	-70.5	179.7	173.3	0	0	110.8	H83 K86 D156 F157 V162 N163 S164	H83-E160 IonicContact NE2-OE2 2.68Å; K86-E160 IonicContact NZ-OE1 3.84Å; D156-E160 WeakPolarHBondContact O-CG 3.45Å; D156-E160 PolarHBondContact O-N 2.7Å; F157-E160 PolarHBondContact O-N 2.68Å; E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 PolarHBondContact O-N 3.49Å; E160-N163 WeakPolarHBondContact O-CB 3.23Å; E160-N163 PolarHBondContact O-N 3.29Å; E160-S164 PolarHBondContact O-N 3.17Å; E160-S164 PolarHBondContact O-OG 2.96Å
161	Q	98.1	Very high	98.4	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-39.2	178.4	-73.3	-46.6	97.2	0	0	113.6	E128 T132 I135 F157 Q159 N163 S164 V165	E128-Q161 PolarHBondContact O-NE2 2.96Å; E128-Q161 PolarHBondContact OE2-NE2 3.33Å; T132-Q161 HydrophobicContact CG2-CB 4.23Å; T132-Q161 WeakPolarHBondContact OG1-CB 3.47Å; T132-Q161 PolarHBondContact OG1-NE2 2.99Å; I135-Q161 HydrophobicContact CD1-CG 3.93Å; F157-Q161 WeakPolarHBondContact O-CG 3.49Å; F157-Q161 PolarHBondContact O-N 3.47Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å; Q159-Q161 PolarHBondContact O-N 3.41Å; Q161-N163 VanDerWaalsContact C-N 3.3Å; Q161-N163 PolarHBondContact O-N 3.29Å; Q161-S164 PolarHBondContact O-N 3.42Å; Q161-V165 WeakPolarHBondContact O-CB 3.4Å; Q161-V165 VanDerWaalsContact O-CG2 3.31Å; Q161-V165 WeakPolarHBondContact O-CG2 3.49Å; Q161-V165 PolarHBondContact O-N 3.1Å
162	V	98.4	Very high	98.3	Very high	88 Å²	88	64.3 Å²	64.3	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-43.3	176.1	171.4	0	0	0	0	110.6	L158 Q159 E160 S166	L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.86Å; Q159-V162 PolarHBondContact O-N 3.07Å; E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 PolarHBondContact O-N 3.49Å; V162-S166 VanDerWaalsContact O-CB 3.26Å; V162-S166 WeakPolarHBondContact O-CB 3.41Å; V162-S166 PolarHBondContact O-N 2.98Å
163	N	98.3	Very high	98.3	Very high	110 Å²	110	61.6 Å²	61.6	59%	0.588	31%	0.313	S	S	*	.	H	α-helix	trans	-69.1	-45.3	179.4	-66.6	-37.6	0	0	0	111.7	Q159 E160 Q161 S166 K167	Q159-N163 PolarHBondContact O-N 3.05Å; Q159-N163 PolarHBondContact O-ND2 3.49Å; E160-N163 WeakPolarHBondContact O-CB 3.23Å; E160-N163 PolarHBondContact O-N 3.29Å; Q161-N163 VanDerWaalsContact C-N 3.3Å; Q161-N163 PolarHBondContact O-N 3.29Å; N163-S166 WeakPolarHBondContact O-CB 3.32Å; N163-S166 PolarHBondContact O-N 2.94Å; N163-K167 WeakPolarHBondContact O-CB 3.43Å; N163-K167 PolarHBondContact O-N 3.44Å
164	S	97.7	Very high	98.3	Very high	31 Å²	31	63.3 Å²	63.3	22%	0.217	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-49.2	178.8	-63.7	0	0	0	0	111.9	E160 Q161 S166 K167 L168	E160-S164 PolarHBondContact O-N 3.17Å; E160-S164 PolarHBondContact O-OG 2.96Å; Q161-S164 PolarHBondContact O-N 3.42Å; S164-S166 VanDerWaalsContact C-N 3.34Å; S164-S166 PolarHBondContact O-N 3.24Å; S164-K167 WeakPolarHBondContact O-CB 3.43Å; S164-K167 PolarHBondContact O-N 3.46Å; S164-L168 WeakPolarHBondContact O-CG 3.2Å; S164-L168 PolarHBondContact O-N 3.42Å
165	V	98.4	Very high	98.2	Very high	8 Å²	8	63.7 Å²	63.7	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-38.9	177.6	174.5	0	0	0	0	111.5	E128 L129 Q161 L168 R169	E128-V165 HydrophobicContact CB-CG2 3.67Å; L129-V165 HydrophobicContact CD2-CG1 4.13Å; L129-V165 HydrophobicContact CD2-CG2 4.33Å; Q161-V165 WeakPolarHBondContact O-CB 3.4Å; Q161-V165 VanDerWaalsContact O-CG2 3.31Å; Q161-V165 WeakPolarHBondContact O-CG2 3.49Å; Q161-V165 PolarHBondContact O-N 3.1Å; V165-L168 PolarHBondContact O-N 3.3Å; V165-R169 HydrophobicContact CG1-CG 4.37Å; V165-R169 VanDerWaalsContact CG1-CZ 3.42Å; V165-R169 WeakPolarHBondContact O-CB 3.35Å; V165-R169 VanDerWaalsContact O-CG 3.28Å; V165-R169 WeakPolarHBondContact O-CG 3.4Å; V165-R169 PolarHBondContact O-N 2.71Å
166	S	98.6	Very high	98.1	Very high	68 Å²	68	66.2 Å²	66.2	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-48.4	175.9	-173.5	0	0	0	0	111.4	V162 N163 S164 L168 R169 E170	V162-S166 VanDerWaalsContact O-CB 3.26Å; V162-S166 WeakPolarHBondContact O-CB 3.41Å; V162-S166 PolarHBondContact O-N 2.98Å; N163-S166 WeakPolarHBondContact O-CB 3.32Å; N163-S166 PolarHBondContact O-N 2.94Å; S164-S166 VanDerWaalsContact C-N 3.34Å; S164-S166 PolarHBondContact O-N 3.24Å; S166-L168 PolarHBondContact O-N 3.48Å; S166-R169 PolarHBondContact O-N 3.18Å; S166-E170 PolarHBondContact O-N 3.28Å
167	K	98.5	Very high	98	Very high	101 Å²	101	67.2 Å²	67.2	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-57.3	-45.8	178.3	-173.1	-174.7	-176.6	-168.3	0	111.8	F72 N163 S164 E170 M171	F72-K167 VanDerWaalsContact CE2-CE 3.44Å; F72-K167 HydrophobicContact CZ-CD 4.32Å; N163-K167 WeakPolarHBondContact O-CB 3.43Å; N163-K167 PolarHBondContact O-N 3.44Å; S164-K167 WeakPolarHBondContact O-CB 3.43Å; S164-K167 PolarHBondContact O-N 3.46Å; K167-E170 PolarHBondContact O-N 2.97Å; K167-M171 WeakPolarHBondContact O-CB 3.28Å; K167-M171 PolarHBondContact O-N 3.47Å
168	L	98.6	Very high	97.8	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-38.6	177.5	-69	173.1	0	0	0	112.6	F73 A124 I125 E128 S164 V165 S166 M171 R172	F73-L168 HydrophobicContact CZ-CD2 4.49Å; A124-L168 HydrophobicContact CB-CD1 4.01Å; A124-L168 HydrophobicContact CB-CD2 4.17Å; I125-L168 HydrophobicContact CD1-CB 4.24Å; I125-L168 HydrophobicContact CG1-CB 3.59Å; I125-L168 HydrophobicContact CG1-CD1 4.2Å; E128-L168 HydrophobicContact CB-CD1 4.4Å; E128-L168 HydrophobicContact CG-CD1 3.54Å; S164-L168 WeakPolarHBondContact O-CG 3.2Å; S164-L168 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 3.3Å; S166-L168 PolarHBondContact O-N 3.48Å; L168-M171 WeakPolarHBondContact O-CB 3.35Å; L168-M171 PolarHBondContact O-N 3.12Å; L168-R172 WeakPolarHBondContact O-CB 3.42Å; L168-R172 PolarHBondContact O-N 3.31Å
169	R	98.6	Very high	97.5	Very high	136 Å²	136	78 Å²	78	51%	0.513	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-39.4	176.1	-75.9	173.3	176.3	163.7	1.4	112.3	I125 V165 S166 R172 A173	I125-R169 HydrophobicContact CD1-CG 4.31Å; V165-R169 HydrophobicContact CG1-CG 4.37Å; V165-R169 VanDerWaalsContact CG1-CZ 3.42Å; V165-R169 WeakPolarHBondContact O-CB 3.35Å; V165-R169 VanDerWaalsContact O-CG 3.28Å; V165-R169 WeakPolarHBondContact O-CG 3.4Å; V165-R169 PolarHBondContact O-N 2.71Å; S166-R169 PolarHBondContact O-N 3.18Å; R169-R172 WeakPolarHBondContact O-CB 3.39Å; R169-R172 PolarHBondContact O-N 2.65Å; R169-A173 PolarHBondContact O-N 2.9Å
170	E	98.4	Very high	97.4	Very high	116 Å²	116	74.3 Å²	74.3	54%	0.542	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-47.2	172.3	-171.8	-171.1	146.4	0	0	110.4	S166 K167 R172 A173 R174	S166-E170 PolarHBondContact O-N 3.28Å; K167-E170 PolarHBondContact O-N 2.97Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 2.94Å; E170-A173 PolarHBondContact O-N 2.92Å; E170-A173 VanDerWaalsContact O-N 3.12Å; E170-R174 HydrophobicContact CG-CG 4.38Å; E170-R174 VanDerWaalsContact O-CG 3.31Å; E170-R174 WeakPolarHBondContact O-CG 3.31Å; E170-R174 PolarHBondContact O-N 3.14Å
171	M	98	Very high	97.4	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.039	37%	0.369	C	S	.	.	H	α-helix	trans	-55.5	-48.5	176	-169.3	-176.6	-62.6	0	0	111.3	F69 F72 I121 K167 L168 A173 R174 L175 M185 F189	F69-M171 HydrophobicContact CD1-SD 4.26Å; F69-M171 HydrophobicContact CE1-CG 4.34Å; F69-M171 HydrophobicContact CE1-SD 3.77Å; F72-M171 HydrophobicContact CD1-CE 3.97Å; F72-M171 HydrophobicContact CD2-CE 4.26Å; F72-M171 HydrophobicContact CE1-CE 3.48Å; F72-M171 VanDerWaalsContact CE1-CE 3.48Å; F72-M171 HydrophobicContact CE2-CE 3.77Å; F72-M171 HydrophobicContact CG-CE 4.35Å; F72-M171 HydrophobicContact CZ-CE 3.36Å; I121-M171 HydrophobicContact CD1-CG 4.32Å; I121-M171 HydrophobicContact CD1-SD 3.32Å; I121-M171 WeakPolarHBondContact CD1-SD 3.3Å; I121-M171 HydrophobicContact CG1-SD 4.12Å; K167-M171 WeakPolarHBondContact O-CB 3.28Å; K167-M171 PolarHBondContact O-N 3.47Å; L168-M171 WeakPolarHBondContact O-CB 3.35Å; L168-M171 PolarHBondContact O-N 3.12Å; M171-A173 VanDerWaalsContact C-N 3.34Å; M171-A173 PolarHBondContact O-N 3.21Å; M171-R174 PolarHBondContact O-N 3.01Å; M171-L175 WeakPolarHBondContact O-CG 3.43Å; M171-L175 PolarHBondContact O-N 3.33Å; M171-M185 HydrophobicContact CB-CE 4.25Å; M171-M185 HydrophobicContact CG-CE 3.42Å; M171-M185 VanDerWaalsContact CG-CE 3.42Å; M171-F189 HydrophobicContact CE-CE1 4.49Å; M171-F189 HydrophobicContact CE-CE2 4.04Å; M171-F189 HydrophobicContact CE-CZ 3.61Å; M171-F189 HydrophobicContact SD-CE2 4.38Å; M171-F189 HydrophobicContact SD-CZ 4.46Å
172	R	98.2	Very high	97.4	Very high	111 Å²	111	73.4 Å²	73.4	42%	0.419	38%	0.381	S	S	.	.	H	α-helix	trans	-56	-46.9	175.4	-169.9	-168.9	-168.2	-152	6.6	111.7	I121 D122 I125 L168 R169 E170 L175 H176	I121-R172 HydrophobicContact CG2-CB 3.82Å; I121-R172 HydrophobicContact CG2-CG 4.34Å; D122-R172 WeakPolarHBondContact OD1-CD 2.99Å; D122-R172 IonicContact OD1-CZ 3.92Å; D122-R172 VanDerWaalsContact OD1-CZ 3.29Å; D122-R172 IonicContact OD1-NE 2.87Å; D122-R172 PolarHBondContact OD1-NE 3.12Å; D122-R172 IonicContact OD1-NH2 3.11Å; D122-R172 PolarHBondContact OD1-NH2 3.08Å; D122-R172 IonicContact OD2-CZ 3.73Å; D122-R172 IonicContact OD2-NE 2.85Å; D122-R172 IonicContact OD2-NH2 3.51Å; D122-R172 PolarHBondContact OD2-NH2 3.39Å; D122-R172 VanDerWaalsContact OD2-NH2 3.11Å; I125-R172 HydrophobicContact CD1-CB 4.13Å; I125-R172 HydrophobicContact CD1-CG 4.45Å; L168-R172 WeakPolarHBondContact O-CB 3.42Å; L168-R172 PolarHBondContact O-N 3.31Å; R169-R172 WeakPolarHBondContact O-CB 3.39Å; R169-R172 PolarHBondContact O-N 2.65Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 2.94Å; R172-L175 PolarHBondContact O-N 3.41Å; R172-H176 PolarHBondContact O-CE1 2.87Å; R172-H176 PolarHBondContact O-ND1 3.13Å
173	A	98.2	Very high	97.3	Very high	60 Å²	60	76.3 Å²	76.3	50%	0.496	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-42.7	179.4	0	0	0	0	0	111.7	R169 E170 M171 L175 H176	R169-A173 PolarHBondContact O-N 2.9Å; E170-A173 PolarHBondContact O-N 2.92Å; E170-A173 VanDerWaalsContact O-N 3.12Å; M171-A173 VanDerWaalsContact C-N 3.34Å; M171-A173 PolarHBondContact O-N 3.21Å; A173-L175 VanDerWaalsContact C-N 3.31Å; A173-L175 PolarHBondContact O-N 3.47Å; A173-H176 PolarHBondContact O-N 3.06Å
174	R	98	Very high	97.3	Very high	72 Å²	72	75.1 Å²	75.1	27%	0.272	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-37.9	179	-72	177.5	63.2	-168.7	-3.5	112.8	E170 M171 H176 L177 A181 M185 E188	E170-R174 HydrophobicContact CG-CG 4.38Å; E170-R174 VanDerWaalsContact O-CG 3.31Å; E170-R174 WeakPolarHBondContact O-CG 3.31Å; E170-R174 PolarHBondContact O-N 3.14Å; M171-R174 PolarHBondContact O-N 3.01Å; R174-H176 PolarHBondContact O-N 3.38Å; R174-H176 VanDerWaalsContact O-N 3.1Å; R174-L177 HydrophobicContact CB-CD1 4.28Å; R174-L177 HydrophobicContact CG-CD1 4.19Å; R174-L177 WeakPolarHBondContact O-CB 3.48Å; R174-L177 PolarHBondContact O-N 3.24Å; R174-L177 VanDerWaalsContact O-N 3.08Å; R174-A181 WeakPolarHBondContact O-CB 3.38Å; R174-M185 HydrophobicContact CB-CE 3.85Å; R174-M185 HydrophobicContact CB-SD 3.56Å; R174-M185 VanDerWaalsContact CB-SD 3.56Å; R174-E188 IonicContact CZ-OE2 3.13Å; R174-E188 IonicContact NH1-OE2 2.65Å; R174-E188 VanDerWaalsContact NH2-CD 3.29Å; R174-E188 IonicContact NH2-OE1 3.24Å; R174-E188 PolarHBondContact NH2-OE1 3.08Å; R174-E188 VanDerWaalsContact NH2-OE1 3.13Å; R174-E188 IonicContact NH2-OE2 2.67Å; R174-E188 PolarHBondContact NH2-OE2 3.1Å
175	L	97.3	Very high	97.3	Very high	7 Å²	7	73.8 Å²	73.8	4%	0.037	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.3	175.6	-71.9	176.1	0	0	0	113.8	F69 I117 I121 M171 R172 A173 V182 M185	F69-L175 HydrophobicContact CZ-CD2 3.94Å; I117-L175 HydrophobicContact CG1-CD1 4.06Å; I117-L175 HydrophobicContact CG2-CD1 4.25Å; I117-L175 HydrophobicContact CG2-CD2 4.29Å; I121-L175 HydrophobicContact CG1-CD1 3.73Å; M171-L175 WeakPolarHBondContact O-CG 3.43Å; M171-L175 PolarHBondContact O-N 3.33Å; R172-L175 PolarHBondContact O-N 3.41Å; A173-L175 VanDerWaalsContact C-N 3.31Å; A173-L175 PolarHBondContact O-N 3.47Å; L175-V182 HydrophobicContact CD2-CG2 3.94Å; L175-M185 HydrophobicContact CD2-CE 4.41Å; L175-M185 HydrophobicContact CD2-SD 3.75Å; L175-M185 HydrophobicContact CG-CE 4.41Å; L175-M185 HydrophobicContact CG-SD 4.08Å
176	H	95.3	Very high	97.3	Very high	124 Å²	124	73.7 Å²	73.7	57%	0.574	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	0.5	179.3	-63.3	87.3	0	0	0	113.8	H118 R172 A173 R174	H118-H176 AromaticContact CE1-NE2 3.96Å; H118-H176 AromaticContact ND1-CE1 3.55Å; H118-H176 AromaticContact ND1-NE2 3.64Å; R172-H176 PolarHBondContact O-CE1 2.87Å; R172-H176 PolarHBondContact O-ND1 3.13Å; A173-H176 PolarHBondContact O-N 3.06Å; R174-H176 PolarHBondContact O-N 3.38Å; R174-H176 VanDerWaalsContact O-N 3.1Å
177	L	96.1	Very high	97.2	Very high	137 Å²	137	76.3 Å²	76.3	72%	0.717	37%	0.369	S	S	*	.	S	Bend	trans	-71.5	-36	-175.8	-69.8	174.2	0	0	0	113.3	R174	R174-L177 HydrophobicContact CB-CD1 4.28Å; R174-L177 HydrophobicContact CG-CD1 4.19Å; R174-L177 WeakPolarHBondContact O-CB 3.48Å; R174-L177 PolarHBondContact O-N 3.24Å; R174-L177 VanDerWaalsContact O-N 3.08Å
178	D	94.3	Very high	97.2	Very high	92 Å²	92	76.9 Å²	76.9	49%	0.492	37%	0.373	S	S	.	.			trans	-160.3	159	-178.4	-176	68.3	0	0	0	111.3	S180 A181	D178-S180 PolarHBondContact O-N 3.46Å; D178-S180 VanDerWaalsContact OD2-CB 3.28Å; D178-S180 WeakPolarHBondContact OD2-CB 3.3Å; D178-S180 PolarHBondContact OD2-N 2.74Å; D178-S180 PolarHBondContact OD2-OG 3.42Å; D178-A181 WeakPolarHBondContact O-CB 3.39Å; D178-A181 PolarHBondContact O-N 2.67Å
179	N	92.6	Very high	97.1	Very high	168 Å²	168	78.6 Å²	78.6	90%	0.898	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.8	176.9	-69.4	-28.1	0	0	0	113.5
180	S	96.5	Very high	96.6	Very high	50 Å²	50	79.6 Å²	79.6	35%	0.35	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.4	175.8	66.5	0	0	0	0	114	D178 V182 Y183 L184	D178-S180 PolarHBondContact O-N 3.46Å; D178-S180 VanDerWaalsContact OD2-CB 3.28Å; D178-S180 WeakPolarHBondContact OD2-CB 3.3Å; D178-S180 PolarHBondContact OD2-N 2.74Å; D178-S180 PolarHBondContact OD2-OG 3.42Å; S180-V182 PolarHBondContact O-N 3.4Å; S180-Y183 PolarHBondContact O-N 2.96Å; S180-Y183 VanDerWaalsContact O-N 3.12Å; S180-L184 WeakPolarHBondContact O-CG 3.49Å; S180-L184 PolarHBondContact O-N 3.11Å
181	A	97.4	Very high	96.5	Very high	8 Å²	8	77.8 Å²	77.8	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-57.5	-43.9	-171.1	0	0	0	0	0	113.1	R174 D178 Y183 L184 M185	R174-A181 WeakPolarHBondContact O-CB 3.38Å; D178-A181 WeakPolarHBondContact O-CB 3.39Å; D178-A181 PolarHBondContact O-N 2.67Å; A181-Y183 VanDerWaalsContact C-N 3.35Å; A181-Y183 PolarHBondContact O-N 3.24Å; A181-L184 PolarHBondContact O-N 2.95Å; A181-M185 WeakPolarHBondContact O-CB 3.44Å; A181-M185 VanDerWaalsContact O-CG 3.3Å; A181-M185 WeakPolarHBondContact O-CG 3.44Å; A181-M185 PolarHBondContact O-N 3.18Å
182	V	97.7	Very high	96.4	Very high	40 Å²	40	81.4 Å²	81.4	24%	0.242	39%	0.394	C	S	.	.	H	α-helix	trans	-55.8	-49.8	177.3	177	0	0	0	0	111	L66 I117 L175 S180 D186	L66-V182 HydrophobicContact CD1-CG1 4.38Å; L66-V182 HydrophobicContact CD2-CG1 3.67Å; I117-V182 HydrophobicContact CG2-CG1 4.01Å; I117-V182 HydrophobicContact CG2-CG2 3.87Å; L175-V182 HydrophobicContact CD2-CG2 3.94Å; S180-V182 PolarHBondContact O-N 3.4Å; V182-D186 WeakPolarHBondContact O-CB 3.23Å; V182-D186 PolarHBondContact O-N 2.87Å
183	Y	96.9	Very high	96.3	Very high	148 Å²	148	79.8 Å²	79.8	58%	0.58	39%	0.392	S	S	*	.	H	α-helix	trans	-66.8	-41	-178.1	176.5	-96.5	0	0	0	112.4	S180 A181 K187	S180-Y183 PolarHBondContact O-N 2.96Å; S180-Y183 VanDerWaalsContact O-N 3.12Å; A181-Y183 VanDerWaalsContact C-N 3.35Å; A181-Y183 PolarHBondContact O-N 3.24Å; Y183-K187 WeakPolarHBondContact O-CB 3.41Å; Y183-K187 PolarHBondContact O-N 2.6Å; Y183-K187 VanDerWaalsContact O-N 3.1Å
184	L	97.7	Very high	96.2	Very high	85 Å²	85	80.9 Å²	80.9	45%	0.445	39%	0.386	S	S	.	.	H	α-helix	trans	-65.6	-46.9	178.8	-69.5	174.7	0	0	0	111.4	S180 A181 K187 E188	S180-L184 WeakPolarHBondContact O-CG 3.49Å; S180-L184 PolarHBondContact O-N 3.11Å; A181-L184 PolarHBondContact O-N 2.95Å; L184-K187 WeakPolarHBondContact O-CB 3.28Å; L184-K187 PolarHBondContact O-N 3.12Å; L184-E188 WeakPolarHBondContact O-CG 3.35Å; L184-E188 PolarHBondContact O-N 2.99Å
185	M	97.8	Very high	96.1	Very high	4 Å²	4	81.5 Å²	81.5	2%	0.02	39%	0.393	C	S	.	.	H	α-helix	trans	-66.2	-40.6	178.3	-69.3	176.3	70	0	0	112.2	F69 M171 R174 L175 A181 K187 E188 F189	F69-M185 HydrophobicContact CE2-CB 4.09Å; F69-M185 HydrophobicContact CZ-CB 3.65Å; F69-M185 HydrophobicContact CZ-CE 4.39Å; M171-M185 HydrophobicContact CB-CE 4.25Å; M171-M185 HydrophobicContact CG-CE 3.42Å; M171-M185 VanDerWaalsContact CG-CE 3.42Å; R174-M185 HydrophobicContact CB-CE 3.85Å; R174-M185 HydrophobicContact CB-SD 3.56Å; R174-M185 VanDerWaalsContact CB-SD 3.56Å; L175-M185 HydrophobicContact CD2-CE 4.41Å; L175-M185 HydrophobicContact CD2-SD 3.75Å; L175-M185 HydrophobicContact CG-CE 4.41Å; L175-M185 HydrophobicContact CG-SD 4.08Å; A181-M185 WeakPolarHBondContact O-CB 3.44Å; A181-M185 VanDerWaalsContact O-CG 3.3Å; A181-M185 WeakPolarHBondContact O-CG 3.44Å; A181-M185 PolarHBondContact O-N 3.18Å; M185-K187 PolarHBondContact O-N 3.29Å; M185-E188 WeakPolarHBondContact O-CB 3.12Å; M185-E188 PolarHBondContact O-N 3.18Å; M185-F189 HydrophobicContact CB-CE2 4.38Å; M185-F189 HydrophobicContact CE-CE2 4.48Å; M185-F189 VanDerWaalsContact O-CD2 3.23Å; M185-F189 WeakPolarHBondContact O-CD2 3.26Å; M185-F189 PolarHBondContact O-N 3.06Å
186	D	98.3	Very high	96	Very high	5 Å²	5	86.5 Å²	86.5	3%	0.027	42%	0.417	C	S	.	.	H	α-helix	trans	-58.1	-38.8	173.4	-176.5	72.8	0	0	0	111.3	L66 S67 G68 F69 V182 F189	L66-D186 WeakPolarHBondContact CA-OD1 3.42Å; L66-D186 HydrophobicContact CD2-CB 4.16Å; S67-D186 PolarHBondContact N-OD1 2.71Å; G68-D186 WeakPolarHBondContact CA-O 3.36Å; G68-D186 WeakPolarHBondContact CA-OD1 3.46Å; G68-D186 PolarHBondContact N-OD1 3.12Å; F69-D186 HydrophobicContact CD2-CB 3.77Å; F69-D186 HydrophobicContact CE2-CB 3.86Å; F69-D186 PolarHBondContact N-OD1 3.49Å; F69-D186 VanDerWaalsContact N-OD1 3.11Å; V182-D186 WeakPolarHBondContact O-CB 3.23Å; V182-D186 PolarHBondContact O-N 2.87Å; D186-F189 PolarHBondContact O-N 2.83Å
187	K	97.8	Very high	96.1	Very high	124 Å²	124	83.8 Å²	83.8	54%	0.539	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-34.6	176	-170.7	176.9	178.9	-178.4	0	113	Y183 L184 M185 F189	Y183-K187 WeakPolarHBondContact O-CB 3.41Å; Y183-K187 PolarHBondContact O-N 2.6Å; Y183-K187 VanDerWaalsContact O-N 3.1Å; L184-K187 WeakPolarHBondContact O-CB 3.28Å; L184-K187 PolarHBondContact O-N 3.12Å; M185-K187 PolarHBondContact O-N 3.29Å; K187-F189 VanDerWaalsContact C-N 3.33Å
188	E	97.1	Very high	96.1	Very high	112 Å²	112	79.7 Å²	79.7	52%	0.523	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-31.1	176.9	-70.4	170.7	-158.2	0	0	113.1	R174 L184 M185	R174-E188 IonicContact CZ-OE2 3.13Å; R174-E188 IonicContact NH1-OE2 2.65Å; R174-E188 VanDerWaalsContact NH2-CD 3.29Å; R174-E188 IonicContact NH2-OE1 3.24Å; R174-E188 PolarHBondContact NH2-OE1 3.08Å; R174-E188 VanDerWaalsContact NH2-OE1 3.13Å; R174-E188 IonicContact NH2-OE2 2.67Å; R174-E188 PolarHBondContact NH2-OE2 3.1Å; L184-E188 WeakPolarHBondContact O-CG 3.35Å; L184-E188 PolarHBondContact O-N 2.99Å; M185-E188 WeakPolarHBondContact O-CB 3.12Å; M185-E188 PolarHBondContact O-N 3.18Å
189	F	97.1	Very high	96.2	Very high	43 Å²	43	78.7 Å²	78.7	19%	0.189	37%	0.373	C	S	.	.	H	α-helix	trans	-85.1	-12.7	-178.1	-65.2	-46.5	0	0	0	114.9	G68 F69 K71 F72 M171 M185 D186 K187	G68-F189 VanDerWaalsContact C-CB 3.41Å; G68-F189 WeakPolarHBondContact O-CB 3.42Å; F69-F189 AromaticContact CD1-CD2 3.86Å; F69-F189 HydrophobicContact CD1-CD2 3.86Å; F69-F189 AromaticContact CD1-CE2 3.77Å; F69-F189 HydrophobicContact CD1-CE2 3.77Å; F69-F189 AromaticContact CE1-CD2 3.94Å; F69-F189 HydrophobicContact CE1-CD2 3.94Å; F69-F189 AromaticContact CE1-CE2 3.47Å; F69-F189 HydrophobicContact CE1-CE2 3.47Å; F69-F189 VanDerWaalsContact CE1-CE2 3.47Å; F69-F189 HydrophobicContact CG-CD2 4.18Å; F69-F189 HydrophobicContact CZ-CD2 4.29Å; F69-F189 AromaticContact CZ-CE2 3.96Å; F69-F189 HydrophobicContact CZ-CE2 3.96Å; K71-F189 WeakPolarHBondContact CD-O 3.35Å; K71-F189 PolarHBondContact NZ-O 3.36Å; F72-F189 HydrophobicContact CB-CB 4.35Å; F72-F189 HydrophobicContact CB-CD1 4.31Å; F72-F189 HydrophobicContact CB-CD2 4.35Å; F72-F189 HydrophobicContact CB-CG 4.1Å; F72-F189 AromaticContact CD2-CD1 3.92Å; F72-F189 HydrophobicContact CD2-CD1 3.92Å; F72-F189 AromaticContact CD2-CE1 3.77Å; F72-F189 HydrophobicContact CD2-CE1 3.77Å; F72-F189 HydrophobicContact CD2-CG 4.49Å; F72-F189 HydrophobicContact CD2-CZ 4.21Å; F72-F189 HydrophobicContact CE2-CE1 4.22Å; F72-F189 HydrophobicContact CG-CD1 4.44Å; F72-F189 HydrophobicContact CG-CE1 4.46Å; M171-F189 HydrophobicContact CE-CE1 4.49Å; M171-F189 HydrophobicContact CE-CE2 4.04Å; M171-F189 HydrophobicContact CE-CZ 3.61Å; M171-F189 HydrophobicContact SD-CE2 4.38Å; M171-F189 HydrophobicContact SD-CZ 4.46Å; M185-F189 HydrophobicContact CB-CE2 4.38Å; M185-F189 HydrophobicContact CE-CE2 4.48Å; M185-F189 VanDerWaalsContact O-CD2 3.23Å; M185-F189 WeakPolarHBondContact O-CD2 3.26Å; M185-F189 PolarHBondContact O-N 3.06Å; D186-F189 PolarHBondContact O-N 2.83Å; K187-F189 VanDerWaalsContact C-N 3.33Å
190	R	87.7	Confident	96.5	Very high	157 Å²	157	70.5 Å²	70.5	59%	0.592	33%	0.325	S	S	*	.			trans	-69.8	0	176.5	-80.4	-171.7	-74.3	-149.3	-14.1	112.3	K71	K71-R190 PolarHBondContact NZ-O 2.95Å

Retrieved 190 of 190 residues in 63.3 ms (Link to these results)

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