A0A3Q0KMH8_SCHMA Loading...

Autophagy protein 5

AlphaFold DB , UniProt , Accession A0A3Q0KMH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 aa.

						>A0A3Q0KMH8_SCHMA|A0A3Q0KMH8
MVEDKQQYNTNIDEHEDEEKILTDMHKTFHQTEINPGWFPKDLYEFFKVYNIDNFPVINLKYKLPNEDNSSMSLDDIHDLFKSEIDSKHVNDIIETMEKHLNDGYKQIIDEVNSLNIVSMIDEH
					

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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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.5	Very low	39.9	Very low	245 Å²	245	164.9 Å²	164.9	100%	1.207	81%	0.814	S	S	*	*				0	101.1	0	-73.7	-174.7	172.6	0	107.6
2	V	40.6	Very low	39.6	Very low	132 Å²	132	164.8 Å²	164.8	80%	0.8	82%	0.816	S	S	*	*			trans	-169.1	103.7	166.1	179.6	0	0	0	102.6
3	E	41.8	Very low	39.8	Very low	168 Å²	168	158.6 Å²	158.6	79%	0.785	79%	0.788	S	S	*	*				54.5	112.2	102.1	-71.3	-174.6	110	0	115.3
4	D	42.5	Very low	39.9	Very low	136 Å²	136	159.1 Å²	159.1	73%	0.727	79%	0.787	S	S	*	*				162.9	103.5	119	-118.3	-109.2	0	0	109.6
5	K	47.3	Very low	40.1	Very low	158 Å²	158	158.5 Å²	158.5	69%	0.687	78%	0.781	S	S	*	*				58.2	99.8	96.9	-74.2	-175.3	-177.2	171.1	113.9
6	Q	41.1	Very low	40.1	Very low	170 Å²	170	157.1 Å²	157.1	79%	0.794	77%	0.771	S	S	*	*				82.3	98.9	102.5	-79.8	-171.3	-49	0	113.4
7	Q	35.7	Very low	40.4	Very low	184 Å²	184	154.2 Å²	154.2	86%	0.86	76%	0.76	S	S	*	*				-179	113.4	128.8	-118.1	172.8	-40.1	0	108.2
8	Y	31.5	Very low	40.1	Very low	216 Å²	216	151.6 Å²	151.6	85%	0.847	75%	0.746	S	S	*	*			trans	178.2	101.5	146.4	-99.5	-70.7	0	0	107.5
9	N	37.7	Very low	40	Very low	162 Å²	162	151 Å²	151	87%	0.866	74%	0.741	S	S	*	*			trans	-172.6	89	131.2	-106.8	11.4	0	0	109.7
10	T	34	Very low	40.2	Very low	100 Å²	100	150.2 Å²	150.2	61%	0.613	73%	0.733	S	S	*	*			trans	-49.3	148.1	148.4	-40.5	0	0	0	110.7
11	N	40.2	Very low	40.3	Very low	143 Å²	143	147 Å²	147	77%	0.765	72%	0.719	S	S	*	*			trans	123.2	136.4	165.4	-65.5	-23.3	0	0	111.8
12	I	36.3	Very low	39.9	Very low	163 Å²	163	139.3 Å²	139.3	84%	0.836	68%	0.682	S	S	*	*	S	Bend	trans	93.1	95.3	-169.2	-47.7	153.8	0	0	109.2
13	D	41.7	Very low	40	Very low	85 Å²	85	136.3 Å²	136.3	46%	0.455	66%	0.664	S	S	.	*	S	Bend	cis	-164.2	54.1	32	-142.3	-39.8	0	0	112.4	H15 E16	D13-H15 VanDerWaalsContact C-N 3.31Å; D13-H15 PolarHBondContact O-N 3.48Å; D13-E16 WeakPolarHBondContact OD1-CB 3.28Å
14	E	42.3	Very low	40.3	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	65%	0.648	S	S	*	*	H	α-helix	trans	-75.5	-18.8	-176.5	-67.3	178	139.7	0	113.2	E18	E14-E18 WeakPolarHBondContact O-CG 3.06Å
15	H	42.7	Very low	40.2	Very low	149 Å²	149	127.9 Å²	127.9	69%	0.69	62%	0.624	S	S	*	*	H	α-helix	trans	-85.4	-27.2	-179.2	-78.6	-54.4	0	0	114.4	D13 E18 E19	D13-H15 VanDerWaalsContact C-N 3.31Å; D13-H15 PolarHBondContact O-N 3.48Å; H15-E18 IonicContact CE1-OE2 3.73Å; H15-E18 IonicContact ND1-OE2 3.11Å; H15-E18 PolarHBondContact ND1-OE2 3.02Å; H15-E18 VanDerWaalsContact ND1-OE2 3.11Å; H15-E18 PolarHBondContact O-N 3.35Å; H15-E19 PolarHBondContact O-N 2.72Å
16	E	39.5	Very low	39.8	Very low	136 Å²	136	126.1 Å²	126.1	64%	0.636	62%	0.618	S	S	*	*	H	α-helix	trans	-76.9	-27.7	-179.5	-157.5	176.3	-145.8	0	111.9	D13 K20	D13-E16 WeakPolarHBondContact OD1-CB 3.28Å; E16-K20 WeakPolarHBondContact O-CB 3.3Å; E16-K20 PolarHBondContact O-N 2.86Å
17	D	46	Very low	39.9	Very low	108 Å²	108	123.7 Å²	123.7	58%	0.578	60%	0.604	S	S	*	*	H	α-helix	trans	-73.5	-40	168.7	-105.5	-54.5	0	0	111.7	K20 I21	D17-K20 PolarHBondContact O-N 3.44Å; D17-I21 VanDerWaalsContact O-CB 3.28Å; D17-I21 WeakPolarHBondContact O-CB 3.09Å; D17-I21 VanDerWaalsContact O-CD1 3.3Å; D17-I21 WeakPolarHBondContact O-CD1 3.5Å; D17-I21 WeakPolarHBondContact O-CG1 3.39Å; D17-I21 PolarHBondContact O-N 3.45Å
18	E	34.8	Very low	40.3	Very low	108 Å²	108	119 Å²	119	51%	0.505	59%	0.588	S	S	.	*	H	α-helix	trans	-61.2	-46.1	175	-81.7	-177.1	154.5	0	112.4	E14 H15 K20 I21 L22	E14-E18 WeakPolarHBondContact O-CG 3.06Å; H15-E18 IonicContact CE1-OE2 3.73Å; H15-E18 IonicContact ND1-OE2 3.11Å; H15-E18 PolarHBondContact ND1-OE2 3.02Å; H15-E18 VanDerWaalsContact ND1-OE2 3.11Å; H15-E18 PolarHBondContact O-N 3.35Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 2.94Å; E18-I21 PolarHBondContact O-N 2.73Å; E18-L22 VanDerWaalsContact O-CB 3.3Å; E18-L22 WeakPolarHBondContact O-CB 2.91Å; E18-L22 WeakPolarHBondContact O-CD1 3.13Å; E18-L22 WeakPolarHBondContact O-CG 3.29Å; E18-L22 PolarHBondContact O-N 3.27Å
19	E	37.1	Very low	40.6	Very low	140 Å²	140	112.2 Å²	112.2	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-68.8	-32.6	-177.5	-149.8	-179.2	-175	0	111.9	H15 T23	H15-E19 PolarHBondContact O-N 2.72Å; E19-T23 VanDerWaalsContact O-CB 3.31Å; E19-T23 WeakPolarHBondContact O-CB 3.42Å; E19-T23 PolarHBondContact O-N 3.04Å; E19-T23 PolarHBondContact O-OG1 3.11Å
20	K	45.2	Very low	40.7	Very low	135 Å²	135	111.2 Å²	111.2	59%	0.587	55%	0.553	S	S	*	*	H	α-helix	trans	-72.9	-41.6	173.9	-169.5	177.2	179.9	-175.6	112.1	E16 D17 E18 T23 D24	E16-K20 WeakPolarHBondContact O-CB 3.3Å; E16-K20 PolarHBondContact O-N 2.86Å; D17-K20 PolarHBondContact O-N 3.44Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 2.94Å; K20-T23 PolarHBondContact O-N 2.87Å; K20-D24 WeakPolarHBondContact O-CB 3.38Å; K20-D24 PolarHBondContact O-N 3.28Å
21	I	42.7	Very low	40.8	Very low	83 Å²	83	114.4 Å²	114.4	43%	0.426	56%	0.561	S	S	.	*	H	α-helix	trans	-60.2	-47.9	172.2	-71.1	163.6	0	0	109.4	D17 E18 T23 D24 M25	D17-I21 VanDerWaalsContact O-CB 3.28Å; D17-I21 WeakPolarHBondContact O-CB 3.09Å; D17-I21 VanDerWaalsContact O-CD1 3.3Å; D17-I21 WeakPolarHBondContact O-CD1 3.5Å; D17-I21 WeakPolarHBondContact O-CG1 3.39Å; D17-I21 PolarHBondContact O-N 3.45Å; E18-I21 PolarHBondContact O-N 2.73Å; I21-T23 VanDerWaalsContact C-N 3.35Å; I21-T23 PolarHBondContact O-N 3.2Å; I21-D24 PolarHBondContact O-N 2.87Å; I21-M25 HydrophobicContact CG2-CG 4.19Å; I21-M25 HydrophobicContact CG2-SD 3.62Å; I21-M25 WeakPolarHBondContact O-CB 3.16Å; I21-M25 WeakPolarHBondContact O-CG 3.17Å; I21-M25 PolarHBondContact O-N 3.05Å
22	L	37.3	Very low	40.6	Very low	83 Å²	83	109.9 Å²	109.9	44%	0.435	54%	0.539	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.5	-73.5	166.9	0	0	112	E18 H26	E18-L22 VanDerWaalsContact O-CB 3.3Å; E18-L22 WeakPolarHBondContact O-CB 2.91Å; E18-L22 WeakPolarHBondContact O-CD1 3.13Å; E18-L22 WeakPolarHBondContact O-CG 3.29Å; E18-L22 PolarHBondContact O-N 3.27Å; L22-H26 WeakPolarHBondContact O-CB 3.38Å; L22-H26 PolarHBondContact O-N 3.14Å
23	T	43.3	Very low	40.5	Very low	70 Å²	70	111.4 Å²	111.4	43%	0.429	54%	0.542	S	S	.	.	H	α-helix	trans	-68.1	-41.8	178.3	-61.2	0	0	0	112.4	E19 K20 I21 K27	E19-T23 VanDerWaalsContact O-CB 3.31Å; E19-T23 WeakPolarHBondContact O-CB 3.42Å; E19-T23 PolarHBondContact O-N 3.04Å; E19-T23 PolarHBondContact O-OG1 3.11Å; K20-T23 PolarHBondContact O-N 2.87Å; I21-T23 VanDerWaalsContact C-N 3.35Å; I21-T23 PolarHBondContact O-N 3.2Å; T23-K27 WeakPolarHBondContact O-CG 3.14Å; T23-K27 PolarHBondContact O-N 3.43Å
24	D	47.1	Very low	40.5	Very low	82 Å²	82	110.1 Å²	110.1	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-72.8	-34.6	177.5	-84	-8.9	0	0	111.8	K20 I21 K27 T28	K20-D24 WeakPolarHBondContact O-CB 3.38Å; K20-D24 PolarHBondContact O-N 3.28Å; I21-D24 PolarHBondContact O-N 2.87Å; D24-K27 PolarHBondContact O-N 2.81Å; D24-T28 WeakPolarHBondContact O-CB 3.49Å; D24-T28 PolarHBondContact O-N 2.89Å; D24-T28 PolarHBondContact O-OG1 3.37Å
25	M	40.6	Very low	40.3	Very low	45 Å²	45	106.3 Å²	106.3	22%	0.222	52%	0.52	C	S	.	.	H	α-helix	trans	-66	-48.7	171	-71.8	-174.7	75.1	0	110.6	I21 K27 T28 F29 D53 N54	I21-M25 HydrophobicContact CG2-CG 4.19Å; I21-M25 HydrophobicContact CG2-SD 3.62Å; I21-M25 WeakPolarHBondContact O-CB 3.16Å; I21-M25 WeakPolarHBondContact O-CG 3.17Å; I21-M25 PolarHBondContact O-N 3.05Å; M25-K27 VanDerWaalsContact C-N 3.27Å; M25-K27 PolarHBondContact O-N 2.65Å; M25-T28 PolarHBondContact O-N 3.34Å; M25-F29 HydrophobicContact CB-CD2 4.27Å; M25-F29 HydrophobicContact CB-CE2 4.47Å; M25-F29 HydrophobicContact CE-CD2 4.47Å; M25-F29 HydrophobicContact CE-CE2 3.64Å; M25-F29 HydrophobicContact CE-CZ 4.37Å; M25-F29 WeakPolarHBondContact O-CB 3.32Å; M25-F29 VanDerWaalsContact O-CD2 3.27Å; M25-F29 WeakPolarHBondContact O-CD2 3.44Å; M25-F29 PolarHBondContact O-N 3.33Å; M25-D53 WeakPolarHBondContact CE-O 3.22Å; M25-N54 HydrophobicContact CE-CB 4.08Å; M25-N54 VanDerWaalsContact CE-CG 3.49Å; M25-N54 WeakPolarHBondContact CE-OD1 3.37Å; M25-N54 PolarHBondContact SD-OD1 3.11Å
26	H	39.5	Very low	40	Very low	121 Å²	121	103.5 Å²	103.5	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-55.7	-41.3	175.5	-177.2	-86	0	0	112	L22 H30	L22-H26 WeakPolarHBondContact O-CB 3.38Å; L22-H26 PolarHBondContact O-N 3.14Å; H26-H30 AromaticContact CD2-CD2 3.54Å; H26-H30 AromaticContact CD2-NE2 3.71Å; H26-H30 AromaticContact CE1-CD2 3.43Å; H26-H30 PolarHBondContact CE1-CD2 3.3Å; H26-H30 VanDerWaalsContact CE1-CD2 3.43Å; H26-H30 AromaticContact CE1-NE2 3.9Å; H26-H30 AromaticContact CG-CD2 3.81Å; H26-H30 AromaticContact ND1-CD2 3.75Å; H26-H30 AromaticContact NE2-CD2 3.3Å; H26-H30 PolarHBondContact NE2-CD2 3.46Å; H26-H30 VanDerWaalsContact NE2-CD2 3.3Å; H26-H30 AromaticContact NE2-NE2 3.34Å; H26-H30 PolarHBondContact NE2-NE2 2.78Å; H26-H30 WeakPolarHBondContact O-CB 3.38Å; H26-H30 PolarHBondContact O-CD2 2.97Å; H26-H30 PolarHBondContact O-N 3.44Å; H26-H30 VanDerWaalsContact O-N 3.11Å
27	K	43.3	Very low	39.8	Very low	119 Å²	119	100 Å²	100	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-64.1	-39.6	173.1	-80.2	177.4	-177.6	166.9	113.2	T23 D24 M25 Q31	T23-K27 WeakPolarHBondContact O-CG 3.14Å; T23-K27 PolarHBondContact O-N 3.43Å; D24-K27 PolarHBondContact O-N 2.81Å; M25-K27 VanDerWaalsContact C-N 3.27Å; M25-K27 PolarHBondContact O-N 2.65Å; K27-Q31 WeakPolarHBondContact O-CB 3.31Å; K27-Q31 WeakPolarHBondContact O-CG 3.3Å; K27-Q31 PolarHBondContact O-N 2.88Å
28	T	42.8	Very low	39.6	Very low	85 Å²	85	102.3 Å²	102.3	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-75.7	-39.3	-176.3	-54.4	0	0	0	112.1	D24 M25 T32	D24-T28 WeakPolarHBondContact O-CB 3.49Å; D24-T28 PolarHBondContact O-N 2.89Å; D24-T28 PolarHBondContact O-OG1 3.37Å; M25-T28 PolarHBondContact O-N 3.34Å; T28-T32 PolarHBondContact O-OG1 2.79Å
29	F	37.9	Very low	40	Very low	73 Å²	73	99.4 Å²	99.4	32%	0.32	50%	0.502	S	S	.	.	H	α-helix	trans	-73.8	-39.4	179	-82.8	-91.1	0	0	112.3	M25 Q31 T32 V57	M25-F29 HydrophobicContact CB-CD2 4.27Å; M25-F29 HydrophobicContact CB-CE2 4.47Å; M25-F29 HydrophobicContact CE-CD2 4.47Å; M25-F29 HydrophobicContact CE-CE2 3.64Å; M25-F29 HydrophobicContact CE-CZ 4.37Å; M25-F29 WeakPolarHBondContact O-CB 3.32Å; M25-F29 VanDerWaalsContact O-CD2 3.27Å; M25-F29 WeakPolarHBondContact O-CD2 3.44Å; M25-F29 PolarHBondContact O-N 3.33Å; F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 3.32Å; F29-T32 PolarHBondContact O-N 2.75Å; F29-V57 HydrophobicContact CE1-CB 4.27Å; F29-V57 HydrophobicContact CE1-CG2 3.71Å; F29-V57 HydrophobicContact CZ-CB 4.42Å; F29-V57 HydrophobicContact CZ-CG2 4.11Å
30	H	39.5	Very low	40.3	Very low	142 Å²	142	95.8 Å²	95.8	66%	0.657	49%	0.491	S	S	*	.	H	α-helix	trans	-76.1	-16.6	176.5	-80.8	-66.3	0	0	114.7	H26 T32	H26-H30 AromaticContact CD2-CD2 3.54Å; H26-H30 AromaticContact CD2-NE2 3.71Å; H26-H30 AromaticContact CE1-CD2 3.43Å; H26-H30 PolarHBondContact CE1-CD2 3.3Å; H26-H30 VanDerWaalsContact CE1-CD2 3.43Å; H26-H30 AromaticContact CE1-NE2 3.9Å; H26-H30 AromaticContact CG-CD2 3.81Å; H26-H30 AromaticContact ND1-CD2 3.75Å; H26-H30 AromaticContact NE2-CD2 3.3Å; H26-H30 PolarHBondContact NE2-CD2 3.46Å; H26-H30 VanDerWaalsContact NE2-CD2 3.3Å; H26-H30 AromaticContact NE2-NE2 3.34Å; H26-H30 PolarHBondContact NE2-NE2 2.78Å; H26-H30 WeakPolarHBondContact O-CB 3.38Å; H26-H30 PolarHBondContact O-CD2 2.97Å; H26-H30 PolarHBondContact O-N 3.44Å; H26-H30 VanDerWaalsContact O-N 3.11Å; H30-T32 VanDerWaalsContact C-N 3.25Å
31	Q	36.9	Very low	40.1	Very low	166 Å²	166	96.5 Å²	96.5	78%	0.776	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.5	171.5	-80.4	179.9	-1.8	0	113.3	K27 F29	K27-Q31 WeakPolarHBondContact O-CB 3.31Å; K27-Q31 WeakPolarHBondContact O-CG 3.3Å; K27-Q31 PolarHBondContact O-N 2.88Å; F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 3.32Å
32	T	36.3	Very low	40.1	Very low	48 Å²	48	97 Å²	97	29%	0.294	50%	0.498	S	S	.	.	S	Bend	trans	-111.3	105.4	179.8	-42.6	0	0	0	109	T28 F29 H30 I34	T28-T32 PolarHBondContact O-OG1 2.79Å; F29-T32 PolarHBondContact O-N 2.75Å; H30-T32 VanDerWaalsContact C-N 3.25Å; T32-I34 HydrophobicContact CG2-CG1 4.31Å; T32-I34 PolarHBondContact O-N 2.9Å
33	E	35.1	Very low	40.7	Very low	195 Å²	195	94.7 Å²	94.7	91%	0.911	49%	0.485	S	S	*	.			trans	-62.9	87.1	167.6	-70.6	-176.7	136.3	0	108.7	N35	E33-N35 PolarHBondContact O-N 3.42Å
34	I	40.5	Very low	41	Very low	59 Å²	59	97 Å²	97	30%	0.303	49%	0.487	S	S	.	.			trans	-75.9	117.7	167.9	-61.6	177.8	0	0	105.8	T32 P36 F39 V57	T32-I34 HydrophobicContact CG2-CG1 4.31Å; T32-I34 PolarHBondContact O-N 2.9Å; I34-P36 VanDerWaalsContact O-CD 3.26Å; I34-P36 WeakPolarHBondContact O-CD 3.5Å; I34-F39 HydrophobicContact CG2-CD2 4.19Å; I34-F39 HydrophobicContact CG2-CE2 3.93Å; I34-V57 HydrophobicContact CD1-CG1 4.48Å
35	N	37.7	Very low	41.1	Very low	85 Å²	85	97.7 Å²	97.7	46%	0.455	49%	0.488	S	S	.	.			trans	-62.1	117.7	174	-170.4	-12	0	0	108.2	E33 G37 W38	E33-N35 PolarHBondContact O-N 3.42Å; N35-G37 PolarHBondContact O-N 3.1Å; N35-G37 PolarHBondContact OD1-N 3.38Å; N35-W38 HydrophobicContact CB-CD2 3.85Å; N35-W38 HydrophobicContact CB-CE3 4.29Å; N35-W38 HydrophobicContact CB-CG 4.03Å; N35-W38 WeakPolarHBondContact O-CB 3.18Å; N35-W38 PolarHBondContact O-N 2.79Å
36	P	37.4	Very low	41.4	Very low	91 Å²	91	96.4 Å²	96.4	59%	0.591	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22.1	-179.8	-16.7	25	0	0	112.6	I34 W38	I34-P36 VanDerWaalsContact O-CD 3.26Å; I34-P36 WeakPolarHBondContact O-CD 3.5Å; P36-W38 PolarHBondContact O-N 3.4Å
37	G	35.3	Very low	42	Very low	63 Å²	63	91.7 Å²	91.7	65%	0.649	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-72	-5	175.1	0	0	0	0	115.3	N35	N35-G37 PolarHBondContact O-N 3.1Å; N35-G37 PolarHBondContact OD1-N 3.38Å
38	W	41.9	Very low	42.4	Very low	155 Å²	155	93.5 Å²	93.5	59%	0.587	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-92.7	-9	178	-69.4	-10.9	0	0	114.1	N35 P36 N69	N35-W38 HydrophobicContact CB-CD2 3.85Å; N35-W38 HydrophobicContact CB-CE3 4.29Å; N35-W38 HydrophobicContact CB-CG 4.03Å; N35-W38 WeakPolarHBondContact O-CB 3.18Å; N35-W38 PolarHBondContact O-N 2.79Å; P36-W38 PolarHBondContact O-N 3.4Å; W38-N69 PolarHBondContact NE1-OD1 3Å
39	F	42.5	Very low	42.6	Very low	47 Å²	47	94.5 Å²	94.5	21%	0.206	47%	0.472	C	S	.	.	S	Bend	trans	-98.6	135.1	170.4	-85.1	-104.8	0	0	109.3	I34 K41 L43 Y44 F47	I34-F39 HydrophobicContact CG2-CD2 4.19Å; I34-F39 HydrophobicContact CG2-CE2 3.93Å; F39-K41 PolarHBondContact O-N 3.23Å; F39-L43 HydrophobicContact CD1-CB 4.34Å; F39-L43 HydrophobicContact CD1-CD2 4.12Å; F39-L43 HydrophobicContact CE1-CD2 4.32Å; F39-Y44 HydrophobicContact CB-CD2 4.47Å; F39-F47 HydrophobicContact CD1-CD2 4.01Å; F39-F47 AromaticContact CD1-CE2 3.94Å; F39-F47 HydrophobicContact CD1-CE2 3.94Å; F39-F47 AromaticContact CE1-CD2 3.69Å; F39-F47 HydrophobicContact CE1-CD2 3.69Å; F39-F47 AromaticContact CE1-CE2 3.51Å; F39-F47 HydrophobicContact CE1-CE2 3.51Å
40	P	43.1	Very low	42.9	Very low	64 Å²	64	95.6 Å²	95.6	42%	0.416	48%	0.475	S	S	.	.			trans	-51.8	129.7	160.8	-15.9	26.8	0	0	107	D42 L43 Y44	P40-D42 PolarHBondContact O-N 3.26Å; P40-L43 HydrophobicContact CB-CB 4.05Å; P40-L43 HydrophobicContact CG-CB 4.05Å; P40-L43 WeakPolarHBondContact O-CA 3.22Å; P40-L43 WeakPolarHBondContact O-CB 3.2Å; P40-L43 PolarHBondContact O-N 3.23Å; P40-Y44 PolarHBondContact O-N 3.06Å
41	K	41.4	Very low	43.1	Very low	150 Å²	150	94.4 Å²	94.4	65%	0.652	47%	0.473	S	S	*	.	H	α-helix	trans	-50.9	-39.1	-174.8	-172.5	-176.2	172.2	-166.3	111.3	F39 L43 Y44 E45	F39-K41 PolarHBondContact O-N 3.23Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-L43 PolarHBondContact O-N 2.67Å; K41-Y44 PolarHBondContact O-N 3.03Å; K41-E45 WeakPolarHBondContact O-CB 3.13Å; K41-E45 PolarHBondContact O-N 2.97Å
42	D	44	Very low	43.6	Very low	95 Å²	95	89.7 Å²	89.7	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-64.7	-35.2	177.5	-50.1	-41.6	0	0	112.4	P40 F46	P40-D42 PolarHBondContact O-N 3.26Å; D42-F46 WeakPolarHBondContact O-CB 3.34Å; D42-F46 PolarHBondContact O-N 3.17Å
43	L	48.9	Very low	44	Very low	34 Å²	34	91.2 Å²	91.2	18%	0.178	46%	0.459	C	S	.	.	H	α-helix	trans	-75.5	-39.5	178.2	-139.4	89.5	0	0	111.4	F39 P40 K41 F46 F47	F39-L43 HydrophobicContact CD1-CB 4.34Å; F39-L43 HydrophobicContact CD1-CD2 4.12Å; F39-L43 HydrophobicContact CE1-CD2 4.32Å; P40-L43 HydrophobicContact CB-CB 4.05Å; P40-L43 HydrophobicContact CG-CB 4.05Å; P40-L43 WeakPolarHBondContact O-CA 3.22Å; P40-L43 WeakPolarHBondContact O-CB 3.2Å; P40-L43 PolarHBondContact O-N 3.23Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-L43 PolarHBondContact O-N 2.67Å; L43-F46 WeakPolarHBondContact O-CB 3.48Å; L43-F46 PolarHBondContact O-N 3.01Å; L43-F47 HydrophobicContact CB-CE2 4.3Å; L43-F47 HydrophobicContact CD2-CE2 3.58Å; L43-F47 HydrophobicContact CD2-CZ 4Å; L43-F47 HydrophobicContact CG-CE2 3.65Å; L43-F47 HydrophobicContact CG-CZ 4.06Å; L43-F47 WeakPolarHBondContact O-CD2 3.28Å; L43-F47 WeakPolarHBondContact O-CE2 3.49Å; L43-F47 PolarHBondContact O-N 3.4Å
44	Y	49.1	Very low	44.4	Very low	118 Å²	118	86.6 Å²	86.6	46%	0.463	44%	0.441	S	S	.	.	H	α-helix	trans	-67.1	-43.7	174.8	-176.2	-101.5	0	0	111.8	F39 P40 K41 F46 F47 K48	F39-Y44 HydrophobicContact CB-CD2 4.47Å; P40-Y44 PolarHBondContact O-N 3.06Å; K41-Y44 PolarHBondContact O-N 3.03Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 PolarHBondContact O-N 3.42Å; Y44-F47 PolarHBondContact O-N 3.41Å; Y44-K48 VanDerWaalsContact O-CB 3.3Å; Y44-K48 WeakPolarHBondContact O-CB 2.84Å; Y44-K48 PolarHBondContact O-N 2.87Å; Y44-K48 VanDerWaalsContact O-N 3.07Å
45	E	49	Very low	44.5	Very low	97 Å²	97	85.2 Å²	85.2	45%	0.453	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-37.7	171.7	-81.2	-178.6	138.2	0	111	K41 K48 V49	K41-E45 WeakPolarHBondContact O-CB 3.13Å; K41-E45 PolarHBondContact O-N 2.97Å; E45-K48 PolarHBondContact O-N 2.92Å; E45-V49 VanDerWaalsContact O-CB 3.26Å; E45-V49 WeakPolarHBondContact O-CB 3.41Å; E45-V49 WeakPolarHBondContact O-CG2 3.39Å; E45-V49 PolarHBondContact O-N 2.71Å
46	F	48	Very low	44.7	Very low	17 Å²	17	82.5 Å²	82.5	8%	0.075	42%	0.42	C	S	.	.	H	α-helix	trans	-59.5	-54.1	173.9	-176.3	-89.9	0	0	112.3	D42 L43 Y44 K48 V49 Y50 I52 M97 H100 L101	D42-F46 WeakPolarHBondContact O-CB 3.34Å; D42-F46 PolarHBondContact O-N 3.17Å; L43-F46 WeakPolarHBondContact O-CB 3.48Å; L43-F46 PolarHBondContact O-N 3.01Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 PolarHBondContact O-N 3.42Å; F46-K48 PolarHBondContact O-N 3.24Å; F46-V49 PolarHBondContact O-N 3.15Å; F46-Y50 HydrophobicContact CD1-CD2 4.3Å; F46-Y50 AromaticContact CD2-CD2 3.65Å; F46-Y50 HydrophobicContact CD2-CD2 3.65Å; F46-Y50 AromaticContact CD2-CE2 3.52Å; F46-Y50 HydrophobicContact CD2-CE2 3.52Å; F46-Y50 HydrophobicContact CE1-CD2 4.29Å; F46-Y50 AromaticContact CE2-CD2 3.64Å; F46-Y50 HydrophobicContact CE2-CD2 3.64Å; F46-Y50 AromaticContact CE2-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE2-CE2 3.47Å; F46-Y50 AromaticContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CE2 4.29Å; F46-Y50 AromaticContact CZ-CD2 3.96Å; F46-Y50 HydrophobicContact CZ-CD2 3.96Å; F46-Y50 HydrophobicContact CZ-CE2 4.2Å; F46-Y50 VanDerWaalsContact O-CD2 3.24Å; F46-Y50 WeakPolarHBondContact O-CD2 3.14Å; F46-Y50 PolarHBondContact O-N 3.4Å; F46-I52 HydrophobicContact CD1-CD1 4.26Å; F46-I52 HydrophobicContact CE1-CD1 3.68Å; F46-I52 HydrophobicContact CZ-CD1 4.47Å; F46-M97 HydrophobicContact CD1-CE 4.37Å; F46-M97 HydrophobicContact CE1-CE 3.93Å; F46-M97 HydrophobicContact CE1-CG 4.12Å; F46-M97 HydrophobicContact CZ-CB 4.44Å; F46-M97 HydrophobicContact CZ-CE 4.38Å; F46-M97 HydrophobicContact CZ-CG 3.89Å; F46-H100 HydrophobicContact CE2-CB 4.36Å; F46-L101 HydrophobicContact CD2-CD2 3.91Å; F46-L101 HydrophobicContact CD2-CG 4.4Å; F46-L101 HydrophobicContact CE2-CD2 4.24Å; F46-L101 HydrophobicContact CE2-CG 4.24Å
47	F	52.5	Low	44.9	Very low	23 Å²	23	80.5 Å²	80.5	10%	0.101	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-36.1	178.9	-64.7	-54.8	0	0	112.7	F39 L43 Y44 N51 I52 F55	F39-F47 HydrophobicContact CD1-CD2 4.01Å; F39-F47 AromaticContact CD1-CE2 3.94Å; F39-F47 HydrophobicContact CD1-CE2 3.94Å; F39-F47 AromaticContact CE1-CD2 3.69Å; F39-F47 HydrophobicContact CE1-CD2 3.69Å; F39-F47 AromaticContact CE1-CE2 3.51Å; F39-F47 HydrophobicContact CE1-CE2 3.51Å; L43-F47 HydrophobicContact CB-CE2 4.3Å; L43-F47 HydrophobicContact CD2-CE2 3.58Å; L43-F47 HydrophobicContact CD2-CZ 4Å; L43-F47 HydrophobicContact CG-CE2 3.65Å; L43-F47 HydrophobicContact CG-CZ 4.06Å; L43-F47 WeakPolarHBondContact O-CD2 3.28Å; L43-F47 WeakPolarHBondContact O-CE2 3.49Å; L43-F47 PolarHBondContact O-N 3.4Å; Y44-F47 PolarHBondContact O-N 3.41Å; F47-N51 PolarHBondContact O-N 2.79Å; F47-I52 HydrophobicContact CD1-CB 3.94Å; F47-I52 HydrophobicContact CD1-CD1 4.2Å; F47-I52 HydrophobicContact CD1-CG2 3.95Å; F47-I52 HydrophobicContact CE1-CG2 4.42Å; F47-I52 PolarHBondContact O-N 3.37Å; F47-I52 VanDerWaalsContact O-N 3.13Å; F47-F55 HydrophobicContact CD1-CB 4.49Å; F47-F55 AromaticContact CD1-CD2 3.98Å; F47-F55 HydrophobicContact CD1-CD2 3.98Å; F47-F55 HydrophobicContact CE1-CB 4.3Å; F47-F55 AromaticContact CE1-CD2 3.06Å; F47-F55 HydrophobicContact CE1-CD2 3.06Å; F47-F55 AromaticContact CE1-CE2 3.28Å; F47-F55 HydrophobicContact CE1-CE2 3.28Å; F47-F55 AromaticContact CE1-CG 3.88Å; F47-F55 HydrophobicContact CE1-CG 3.88Å; F47-F55 HydrophobicContact CE1-CZ 4.28Å; F47-F55 HydrophobicContact CE2-CD2 4.26Å; F47-F55 HydrophobicContact CE2-CE2 4.16Å; F47-F55 HydrophobicContact CE2-CZ 4.43Å; F47-F55 HydrophobicContact CZ-CD1 4.47Å; F47-F55 AromaticContact CZ-CD2 3.26Å; F47-F55 HydrophobicContact CZ-CD2 3.26Å; F47-F55 HydrophobicContact CZ-CE1 4.36Å; F47-F55 AromaticContact CZ-CE2 3.05Å; F47-F55 HydrophobicContact CZ-CE2 3.05Å; F47-F55 AromaticContact CZ-CG 3.92Å; F47-F55 HydrophobicContact CZ-CG 3.92Å; F47-F55 AromaticContact CZ-CZ 3.64Å; F47-F55 HydrophobicContact CZ-CZ 3.64Å
48	K	51.1	Low	44.9	Very low	156 Å²	156	82.9 Å²	82.9	68%	0.678	40%	0.402	S	S	*	.	H	α-helix	trans	-72.1	-41.1	179	-169.5	-179	178.3	-172.8	112.9	Y44 E45 F46	Y44-K48 VanDerWaalsContact O-CB 3.3Å; Y44-K48 WeakPolarHBondContact O-CB 2.84Å; Y44-K48 PolarHBondContact O-N 2.87Å; Y44-K48 VanDerWaalsContact O-N 3.07Å; E45-K48 PolarHBondContact O-N 2.92Å; F46-K48 PolarHBondContact O-N 3.24Å
49	V	47.6	Very low	44.5	Very low	107 Å²	107	78.6 Å²	78.6	65%	0.648	39%	0.391	S	S	*	.	H	α-helix	trans	-67.2	-39.8	178.9	165.7	0	0	0	110.8	E45 F46	E45-V49 VanDerWaalsContact O-CB 3.26Å; E45-V49 WeakPolarHBondContact O-CB 3.41Å; E45-V49 WeakPolarHBondContact O-CG2 3.39Å; E45-V49 PolarHBondContact O-N 2.71Å; F46-V49 PolarHBondContact O-N 3.15Å
50	Y	44.1	Very low	44.3	Very low	96 Å²	96	78.1 Å²	78.1	38%	0.376	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	8.4	-173.9	-69.1	-73	0	0	114.4	F46 I52 H100	F46-Y50 HydrophobicContact CD1-CD2 4.3Å; F46-Y50 AromaticContact CD2-CD2 3.65Å; F46-Y50 HydrophobicContact CD2-CD2 3.65Å; F46-Y50 AromaticContact CD2-CE2 3.52Å; F46-Y50 HydrophobicContact CD2-CE2 3.52Å; F46-Y50 HydrophobicContact CE1-CD2 4.29Å; F46-Y50 AromaticContact CE2-CD2 3.64Å; F46-Y50 HydrophobicContact CE2-CD2 3.64Å; F46-Y50 AromaticContact CE2-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE2-CE2 3.47Å; F46-Y50 AromaticContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CE2 4.29Å; F46-Y50 AromaticContact CZ-CD2 3.96Å; F46-Y50 HydrophobicContact CZ-CD2 3.96Å; F46-Y50 HydrophobicContact CZ-CE2 4.2Å; F46-Y50 VanDerWaalsContact O-CD2 3.24Å; F46-Y50 WeakPolarHBondContact O-CD2 3.14Å; F46-Y50 PolarHBondContact O-N 3.4Å; Y50-I52 PolarHBondContact O-N 2.9Å; Y50-I52 VanDerWaalsContact O-N 3.1Å; Y50-H100 AromaticContact CE1-CD2 3.77Å
51	N	43.8	Very low	44	Very low	116 Å²	116	82.4 Å²	82.4	62%	0.62	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	40.1	-177.9	-158.9	78.8	0	0	112.3	F47 D53	F47-N51 PolarHBondContact O-N 2.79Å; N51-D53 VanDerWaalsContact C-N 3.29Å; N51-D53 PolarHBondContact ND2-OD2 2.85Å; N51-D53 PolarHBondContact O-N 3.47Å
52	I	47.3	Very low	43.9	Very low	67 Å²	67	84.7 Å²	84.7	34%	0.344	41%	0.409	S	S	.	.			trans	-83.8	84.5	178.8	-59.6	172.9	0	0	106.3	F46 F47 Y50 N54	F46-I52 HydrophobicContact CD1-CD1 4.26Å; F46-I52 HydrophobicContact CE1-CD1 3.68Å; F46-I52 HydrophobicContact CZ-CD1 4.47Å; F47-I52 HydrophobicContact CD1-CB 3.94Å; F47-I52 HydrophobicContact CD1-CD1 4.2Å; F47-I52 HydrophobicContact CD1-CG2 3.95Å; F47-I52 HydrophobicContact CE1-CG2 4.42Å; F47-I52 PolarHBondContact O-N 3.37Å; F47-I52 VanDerWaalsContact O-N 3.13Å; Y50-I52 PolarHBondContact O-N 2.9Å; Y50-I52 VanDerWaalsContact O-N 3.1Å; I52-N54 PolarHBondContact O-N 2.86Å
53	D	44.5	Very low	43.8	Very low	80 Å²	80	85.4 Å²	85.4	43%	0.428	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.2	177.8	-68.7	-49.4	0	0	112.4	M25 N51	M25-D53 WeakPolarHBondContact CE-O 3.22Å; N51-D53 VanDerWaalsContact C-N 3.29Å; N51-D53 PolarHBondContact ND2-OD2 2.85Å; N51-D53 PolarHBondContact O-N 3.47Å
54	N	41.8	Very low	43.4	Very low	98 Å²	98	88 Å²	88	52%	0.524	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	35.6	-166.9	-64.3	6	0	0	114.1	M25 I52	M25-N54 HydrophobicContact CE-CB 4.08Å; M25-N54 VanDerWaalsContact CE-CG 3.49Å; M25-N54 WeakPolarHBondContact CE-OD1 3.37Å; M25-N54 PolarHBondContact SD-OD1 3.11Å; I52-N54 PolarHBondContact O-N 2.86Å
55	F	43.4	Very low	43	Very low	30 Å²	30	87.9 Å²	87.9	13%	0.132	43%	0.434	C	S	.	.			trans	-59.5	135.6	169.1	-160.4	-104.5	0	0	109.2	F47 V57 F81	F47-F55 HydrophobicContact CD1-CB 4.49Å; F47-F55 AromaticContact CD1-CD2 3.98Å; F47-F55 HydrophobicContact CD1-CD2 3.98Å; F47-F55 HydrophobicContact CE1-CB 4.3Å; F47-F55 AromaticContact CE1-CD2 3.06Å; F47-F55 HydrophobicContact CE1-CD2 3.06Å; F47-F55 AromaticContact CE1-CE2 3.28Å; F47-F55 HydrophobicContact CE1-CE2 3.28Å; F47-F55 AromaticContact CE1-CG 3.88Å; F47-F55 HydrophobicContact CE1-CG 3.88Å; F47-F55 HydrophobicContact CE1-CZ 4.28Å; F47-F55 HydrophobicContact CE2-CD2 4.26Å; F47-F55 HydrophobicContact CE2-CE2 4.16Å; F47-F55 HydrophobicContact CE2-CZ 4.43Å; F47-F55 HydrophobicContact CZ-CD1 4.47Å; F47-F55 AromaticContact CZ-CD2 3.26Å; F47-F55 HydrophobicContact CZ-CD2 3.26Å; F47-F55 HydrophobicContact CZ-CE1 4.36Å; F47-F55 AromaticContact CZ-CE2 3.05Å; F47-F55 HydrophobicContact CZ-CE2 3.05Å; F47-F55 AromaticContact CZ-CG 3.92Å; F47-F55 HydrophobicContact CZ-CG 3.92Å; F47-F55 AromaticContact CZ-CZ 3.64Å; F47-F55 HydrophobicContact CZ-CZ 3.64Å; F55-V57 HydrophobicContact CB-CG2 4.33Å; F55-V57 HydrophobicContact CD1-CG2 4.28Å; F55-V57 PolarHBondContact O-N 3Å; F55-F81 HydrophobicContact CD2-CZ 4.32Å; F55-F81 HydrophobicContact CE1-CE1 4.32Å; F55-F81 AromaticContact CE1-CZ 3.94Å; F55-F81 HydrophobicContact CE1-CZ 3.94Å; F55-F81 AromaticContact CE2-CE1 3.71Å; F55-F81 HydrophobicContact CE2-CE1 3.71Å; F55-F81 HydrophobicContact CE2-CE2 4.15Å; F55-F81 AromaticContact CE2-CZ 3.15Å; F55-F81 HydrophobicContact CE2-CZ 3.15Å; F55-F81 AromaticContact CZ-CE1 3.61Å; F55-F81 HydrophobicContact CZ-CE1 3.61Å; F55-F81 AromaticContact CZ-CE2 3.57Å; F55-F81 HydrophobicContact CZ-CE2 3.57Å; F55-F81 AromaticContact CZ-CZ 2.92Å; F55-F81 HydrophobicContact CZ-CZ 2.92Å
56	P	42.4	Very low	42.6	Very low	28 Å²	28	90.4 Å²	90.4	18%	0.182	45%	0.451	C	S	.	.			trans	-66.6	78.9	167.3	22.2	-23.5	0	0	109.1	I58 F81 I85	P56-I58 HydrophobicContact CB-CB 4.03Å; P56-I58 HydrophobicContact CB-CD1 3.91Å; P56-I58 HydrophobicContact CB-CG1 3.99Å; P56-I58 PolarHBondContact O-N 2.95Å; P56-F81 HydrophobicContact CG-CE1 4.34Å; P56-I85 HydrophobicContact CG-CD1 3.66Å; P56-I85 HydrophobicContact CG-CG1 4.29Å
57	V	40.5	Very low	42.2	Very low	50 Å²	50	98.7 Å²	98.7	30%	0.303	49%	0.49	S	S	.	.			trans	-66.2	-1.1	154.1	-174.3	0	0	0	109.9	F29 I34 F55 N59	F29-V57 HydrophobicContact CE1-CB 4.27Å; F29-V57 HydrophobicContact CE1-CG2 3.71Å; F29-V57 HydrophobicContact CZ-CB 4.42Å; F29-V57 HydrophobicContact CZ-CG2 4.11Å; I34-V57 HydrophobicContact CD1-CG1 4.48Å; F55-V57 HydrophobicContact CB-CG2 4.33Å; F55-V57 HydrophobicContact CD1-CG2 4.28Å; F55-V57 PolarHBondContact O-N 3Å; V57-N59 PolarHBondContact O-N 3.02Å
58	I	35.6	Very low	41.6	Very low	112 Å²	112	104.1 Å²	104.1	57%	0.574	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	112.9	162.6	-51.9	175.2	0	0	106.5	P56 L60 E84	P56-I58 HydrophobicContact CB-CB 4.03Å; P56-I58 HydrophobicContact CB-CD1 3.91Å; P56-I58 HydrophobicContact CB-CG1 3.99Å; P56-I58 PolarHBondContact O-N 2.95Å; I58-L60 PolarHBondContact O-N 3.46Å; I58-E84 VanDerWaalsContact CG2-OE2 3.28Å; I58-E84 WeakPolarHBondContact CG2-OE2 3.16Å
59	N	34.9	Very low	41.1	Very low	66 Å²	66	103.5 Å²	103.5	35%	0.353	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	4.8	164.8	-99.9	-0.2	0	0	122.5	V57 K61 Y62 K63 E84	V57-N59 PolarHBondContact O-N 3.02Å; N59-K61 PolarHBondContact O-N 3.24Å; N59-Y62 PolarHBondContact O-N 2.72Å; N59-Y62 WeakPolarHBondContact OD1-CB 3.39Å; N59-Y62 WeakPolarHBondContact OD1-CD2 3.17Å; N59-K63 PolarHBondContact O-N 3.16Å; N59-E84 VanDerWaalsContact CB-CD 3.49Å; N59-E84 WeakPolarHBondContact CB-OE1 3.46Å; N59-E84 PolarHBondContact ND2-OE1 3.28Å
60	L	36.6	Very low	40.6	Very low	36 Å²	36	102.2 Å²	102.2	19%	0.188	52%	0.52	C	S	.	.	H	α-helix	trans	-57.7	-36	166.6	-89	169.8	0	0	111.9	I58 Y62 K63 L64 M72 L80	I58-L60 PolarHBondContact O-N 3.46Å; L60-Y62 PolarHBondContact O-N 2.8Å; L60-K63 PolarHBondContact O-N 2.82Å; L60-L64 HydrophobicContact CB-CD1 4.39Å; L60-L64 HydrophobicContact CD2-CD1 4.45Å; L60-L64 HydrophobicContact CD2-CG 4.49Å; L60-L64 WeakPolarHBondContact O-CD1 3.37Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.3Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-L64 VanDerWaalsContact O-N 3.17Å; L60-M72 HydrophobicContact CD2-CE 3.85Å; L60-M72 HydrophobicContact CD2-SD 4.45Å; L60-L80 HydrophobicContact CD1-CD2 4.19Å; L60-L80 HydrophobicContact CD2-CD1 3.93Å; L60-L80 HydrophobicContact CD2-CD2 3.31Å; L60-L80 HydrophobicContact CD2-CG 4.22Å; L60-L80 HydrophobicContact CG-CD2 3.55Å
61	K	36.7	Very low	40.6	Very low	155 Å²	155	102.8 Å²	102.8	67%	0.674	54%	0.538	S	S	*	.	H	α-helix	trans	-63.7	-18.8	174.7	-77.6	-173.3	172.9	-173.9	114.8	N59	N59-K61 PolarHBondContact O-N 3.24Å
62	Y	40.8	Very low	40.6	Very low	198 Å²	198	100.7 Å²	100.7	78%	0.776	53%	0.525	S	S	*	.	H	α-helix	trans	-101.6	-11.7	-177.5	-82.8	-82.4	0	0	113.7	N59 L60	N59-Y62 PolarHBondContact O-N 2.72Å; N59-Y62 WeakPolarHBondContact OD1-CB 3.39Å; N59-Y62 WeakPolarHBondContact OD1-CD2 3.17Å; L60-Y62 PolarHBondContact O-N 2.8Å
63	K	42.1	Very low	40.6	Very low	109 Å²	109	99.7 Å²	99.7	47%	0.474	52%	0.524	S	S	.	.	H	α-helix	trans	-118.4	-11.4	-178.8	-81.2	-178	179.1	167.6	115.2	N59 L60 P65 L80 S83	N59-K63 PolarHBondContact O-N 3.16Å; L60-K63 PolarHBondContact O-N 2.82Å; K63-P65 WeakPolarHBondContact O-CD 3.32Å; K63-L80 HydrophobicContact CB-CD1 4.43Å; K63-L80 HydrophobicContact CD-CD1 4.1Å; K63-S83 PolarHBondContact NZ-OG 3.43Å
64	L	40.6	Very low	40.7	Very low	90 Å²	90	102.2 Å²	102.2	47%	0.471	54%	0.537	S	S	.	.	S	Bend	trans	-71.5	111.8	173.2	-77.5	164.9	0	0	109.1	L60 N66 M72	L60-L64 HydrophobicContact CB-CD1 4.39Å; L60-L64 HydrophobicContact CD2-CD1 4.45Å; L60-L64 HydrophobicContact CD2-CG 4.49Å; L60-L64 WeakPolarHBondContact O-CD1 3.37Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.3Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-L64 VanDerWaalsContact O-N 3.17Å; L64-N66 PolarHBondContact O-N 3.39Å; L64-M72 HydrophobicContact CD2-CE 3.54Å; L64-M72 HydrophobicContact CG-CE 4.45Å
65	P	39.2	Very low	41.2	Very low	115 Å²	115	103.1 Å²	103.1	75%	0.747	54%	0.542	S	S	*	.			trans	-59.3	116.7	165.4	25.4	-29.9	0	0	106.9	K63 E67	K63-P65 WeakPolarHBondContact O-CD 3.32Å; P65-E67 PolarHBondContact O-N 3.05Å
66	N	40.8	Very low	41.7	Very low	150 Å²	150	105.6 Å²	105.6	80%	0.802	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.4	140.5	173	-70.8	-38.2	0	0	110.1	L64	L64-N66 PolarHBondContact O-N 3.39Å
67	E	39.4	Very low	42.2	Very low	191 Å²	191	105.7 Å²	105.7	89%	0.893	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.2	-4.9	157.3	-62.4	-175.1	105	0	120.4	P65	P65-E67 PolarHBondContact O-N 3.05Å
68	D	41.2	Very low	42.7	Very low	136 Å²	136	106.3 Å²	106.3	73%	0.727	55%	0.554	S	S	*	*			trans	-125	101.4	171.2	-108.9	-38.1	0	0	111.5	S70	D68-S70 WeakPolarHBondContact CB-OG 3.39Å; D68-S70 PolarHBondContact O-N 2.93Å
69	N	39.7	Very low	43.7	Very low	143 Å²	143	105.6 Å²	105.6	77%	0.765	55%	0.552	S	S	*	*			trans	-65.5	19.1	170.1	-73.1	-38.8	0	0	112.5	W38 S71	W38-N69 PolarHBondContact NE1-OD1 3Å; N69-S71 PolarHBondContact O-N 3.22Å; N69-S71 VanDerWaalsContact O-N 3.14Å
70	S	36.9	Very low	44.6	Very low	80 Å²	80	103.6 Å²	103.6	56%	0.559	54%	0.541	S	S	*	.			trans	-77.8	99.1	178.1	52.1	0	0	0	109	D68 M72	D68-S70 WeakPolarHBondContact CB-OG 3.39Å; D68-S70 PolarHBondContact O-N 2.93Å; S70-M72 PolarHBondContact O-N 3.1Å
71	S	45.2	Very low	45.2	Very low	109 Å²	109	102.6 Å²	102.6	76%	0.762	54%	0.535	S	S	*	.			trans	27.6	89.3	150.5	-176.9	0	0	0	115	N69 S73	N69-S71 PolarHBondContact O-N 3.22Å; N69-S71 VanDerWaalsContact O-N 3.14Å; S71-S73 PolarHBondContact O-N 3.17Å
72	M	44	Very low	45.9	Very low	72 Å²	72	101.3 Å²	101.3	36%	0.355	53%	0.53	S	S	.	.			trans	-57.2	123.2	162.6	-172.9	176.6	-76.2	0	108.5	L60 L64 S70 D76 I77	L60-M72 HydrophobicContact CD2-CE 3.85Å; L60-M72 HydrophobicContact CD2-SD 4.45Å; L64-M72 HydrophobicContact CD2-CE 3.54Å; L64-M72 HydrophobicContact CG-CE 4.45Å; S70-M72 PolarHBondContact O-N 3.1Å; M72-D76 HydrophobicContact CG-CB 3.47Å; M72-D76 VanDerWaalsContact CG-CB 3.47Å; M72-D76 HydrophobicContact SD-CB 4.41Å; M72-I77 HydrophobicContact CG-CG1 3.78Å; M72-I77 HydrophobicContact SD-CB 4.48Å; M72-I77 HydrophobicContact SD-CD1 4.46Å; M72-I77 HydrophobicContact SD-CG1 3.46Å; M72-I77 WeakPolarHBondContact SD-CG1 3.4Å
73	S	47	Very low	46.3	Very low	45 Å²	45	95 Å²	95	32%	0.315	51%	0.514	S	S	.	.			trans	-73.4	161.3	177.2	71.1	0	0	0	110.5	S71 D75 D76 I77	S71-S73 PolarHBondContact O-N 3.17Å; S73-D75 PolarHBondContact O-N 3.13Å; S73-D76 WeakPolarHBondContact CB-OD2 3.16Å; S73-D76 PolarHBondContact N-OD2 3.11Å; S73-D76 WeakPolarHBondContact O-CB 3.32Å; S73-D76 PolarHBondContact O-N 3.04Å; S73-D76 VanDerWaalsContact O-N 3.09Å; S73-D76 PolarHBondContact OG-N 3.44Å; S73-D76 PolarHBondContact OG-OD2 2.76Å; S73-I77 PolarHBondContact O-N 3.3Å; S73-I77 VanDerWaalsContact O-N 3.11Å
74	L	46.4	Very low	46.6	Very low	133 Å²	133	92.3 Å²	92.3	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-60.9	-31.6	175.9	-159.7	125.4	0	0	111.3	I77 H78	L74-I77 PolarHBondContact O-N 3.42Å; L74-H78 VanDerWaalsContact O-CB 3.32Å; L74-H78 WeakPolarHBondContact O-CB 3.14Å; L74-H78 PolarHBondContact O-N 2.89Å
75	D	52.9	Low	46.7	Very low	117 Å²	117	89.6 Å²	89.6	63%	0.626	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-40.7	173.8	-65.7	-28.1	0	0	111.7	S73 H78 D79	S73-D75 PolarHBondContact O-N 3.13Å; D75-H78 WeakPolarHBondContact O-CB 3.42Å; D75-H78 PolarHBondContact O-N 2.63Å; D75-D79 PolarHBondContact O-N 3.21Å
76	D	52.7	Low	47	Very low	83 Å²	83	90.4 Å²	90.4	44%	0.444	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-39.5	177.2	-62.5	-50.8	0	0	111.8	M72 S73 L80	M72-D76 HydrophobicContact CG-CB 3.47Å; M72-D76 VanDerWaalsContact CG-CB 3.47Å; M72-D76 HydrophobicContact SD-CB 4.41Å; S73-D76 WeakPolarHBondContact CB-OD2 3.16Å; S73-D76 PolarHBondContact N-OD2 3.11Å; S73-D76 WeakPolarHBondContact O-CB 3.32Å; S73-D76 PolarHBondContact O-N 3.04Å; S73-D76 VanDerWaalsContact O-N 3.09Å; S73-D76 PolarHBondContact OG-N 3.44Å; S73-D76 PolarHBondContact OG-OD2 2.76Å; D76-L80 WeakPolarHBondContact O-CB 3.27Å; D76-L80 PolarHBondContact O-N 3.29Å
77	I	52.7	Low	47	Very low	30 Å²	30	87.1 Å²	87.1	15%	0.154	48%	0.476	C	S	.	.	H	α-helix	trans	-61.2	-49.7	172.6	-67	172.7	0	0	109	M72 S73 L74 D79 L80 F81	M72-I77 HydrophobicContact CG-CG1 3.78Å; M72-I77 HydrophobicContact SD-CB 4.48Å; M72-I77 HydrophobicContact SD-CD1 4.46Å; M72-I77 HydrophobicContact SD-CG1 3.46Å; M72-I77 WeakPolarHBondContact SD-CG1 3.4Å; S73-I77 PolarHBondContact O-N 3.3Å; S73-I77 VanDerWaalsContact O-N 3.11Å; L74-I77 PolarHBondContact O-N 3.42Å; I77-D79 PolarHBondContact O-N 3.09Å; I77-L80 WeakPolarHBondContact O-CB 3.49Å; I77-L80 PolarHBondContact O-N 2.92Å; I77-L80 VanDerWaalsContact O-N 3.17Å; I77-F81 HydrophobicContact CG2-CD2 3.51Å; I77-F81 HydrophobicContact CG2-CE2 3.35Å; I77-F81 WeakPolarHBondContact O-CD2 3.47Å; I77-F81 PolarHBondContact O-N 2.88Å
78	H	51.4	Low	47.3	Very low	62 Å²	62	85.5 Å²	85.5	29%	0.287	47%	0.466	S	S	.	.	H	α-helix	trans	-57.5	-45.1	180	-176.3	-80.5	0	0	112.3	L74 D75 F81 K82 I94	L74-H78 VanDerWaalsContact O-CB 3.32Å; L74-H78 WeakPolarHBondContact O-CB 3.14Å; L74-H78 PolarHBondContact O-N 2.89Å; D75-H78 WeakPolarHBondContact O-CB 3.42Å; D75-H78 PolarHBondContact O-N 2.63Å; H78-F81 PolarHBondContact O-N 3.3Å; H78-K82 VanDerWaalsContact O-CB 3.32Å; H78-K82 WeakPolarHBondContact O-CB 3.09Å; H78-K82 PolarHBondContact O-N 3.11Å; H78-I94 WeakPolarHBondContact CD2-CD1 3.24Å; H78-I94 WeakPolarHBondContact NE2-CD1 3.26Å
79	D	55.7	Low	47.5	Very low	97 Å²	97	84 Å²	84	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-66.7	-36.8	176.9	-86	-9.4	0	0	112.7	D75 I77 K82 S83	D75-D79 PolarHBondContact O-N 3.21Å; I77-D79 PolarHBondContact O-N 3.09Å; D79-K82 PolarHBondContact O-N 3.34Å; D79-S83 WeakPolarHBondContact O-CB 3.46Å; D79-S83 PolarHBondContact O-N 3.3Å; D79-S83 VanDerWaalsContact O-N 3.11Å
80	L	53.9	Low	47.6	Very low	25 Å²	25	77.4 Å²	77.4	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-61.6	-49.7	174.2	-174.2	93	0	0	111	L60 K63 D76 I77 K82 S83 E84	L60-L80 HydrophobicContact CD1-CD2 4.19Å; L60-L80 HydrophobicContact CD2-CD1 3.93Å; L60-L80 HydrophobicContact CD2-CD2 3.31Å; L60-L80 HydrophobicContact CD2-CG 4.22Å; L60-L80 HydrophobicContact CG-CD2 3.55Å; K63-L80 HydrophobicContact CB-CD1 4.43Å; K63-L80 HydrophobicContact CD-CD1 4.1Å; D76-L80 WeakPolarHBondContact O-CB 3.27Å; D76-L80 PolarHBondContact O-N 3.29Å; I77-L80 WeakPolarHBondContact O-CB 3.49Å; I77-L80 PolarHBondContact O-N 2.92Å; I77-L80 VanDerWaalsContact O-N 3.17Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 2.87Å; L80-S83 WeakPolarHBondContact O-CB 3.4Å; L80-S83 PolarHBondContact O-N 3.46Å; L80-S83 PolarHBondContact O-OG 2.76Å; L80-E84 PolarHBondContact O-N 3.3Å; L80-E84 VanDerWaalsContact O-N 3.14Å
81	F	50.6	Low	48	Very low	15 Å²	15	78.4 Å²	78.4	7%	0.066	42%	0.418	C	S	.	.	H	α-helix	trans	-58.3	-44.5	177.1	-86.5	-73.8	0	0	112.6	F55 P56 I77 H78 S83 E84 I85 V90	F55-F81 HydrophobicContact CD2-CZ 4.32Å; F55-F81 HydrophobicContact CE1-CE1 4.32Å; F55-F81 AromaticContact CE1-CZ 3.94Å; F55-F81 HydrophobicContact CE1-CZ 3.94Å; F55-F81 AromaticContact CE2-CE1 3.71Å; F55-F81 HydrophobicContact CE2-CE1 3.71Å; F55-F81 HydrophobicContact CE2-CE2 4.15Å; F55-F81 AromaticContact CE2-CZ 3.15Å; F55-F81 HydrophobicContact CE2-CZ 3.15Å; F55-F81 AromaticContact CZ-CE1 3.61Å; F55-F81 HydrophobicContact CZ-CE1 3.61Å; F55-F81 AromaticContact CZ-CE2 3.57Å; F55-F81 HydrophobicContact CZ-CE2 3.57Å; F55-F81 AromaticContact CZ-CZ 2.92Å; F55-F81 HydrophobicContact CZ-CZ 2.92Å; P56-F81 HydrophobicContact CG-CE1 4.34Å; I77-F81 HydrophobicContact CG2-CD2 3.51Å; I77-F81 HydrophobicContact CG2-CE2 3.35Å; I77-F81 WeakPolarHBondContact O-CD2 3.47Å; I77-F81 PolarHBondContact O-N 2.88Å; H78-F81 PolarHBondContact O-N 3.3Å; F81-S83 PolarHBondContact O-N 3.35Å; F81-E84 PolarHBondContact O-N 3.47Å; F81-I85 HydrophobicContact CD1-CD1 3.71Å; F81-I85 HydrophobicContact CE1-CD1 4.17Å; F81-I85 PolarHBondContact O-N 3.05Å; F81-V90 HydrophobicContact CB-CG1 4.14Å; F81-V90 VanDerWaalsContact O-CG2 3.29Å; F81-V90 WeakPolarHBondContact O-CG2 3.3Å
82	K	50.5	Low	48.3	Very low	128 Å²	128	77.5 Å²	77.5	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-60.5	-25.5	176.5	-167.7	175.3	179.9	-179.6	112.9	H78 D79 L80	H78-K82 VanDerWaalsContact O-CB 3.32Å; H78-K82 WeakPolarHBondContact O-CB 3.09Å; H78-K82 PolarHBondContact O-N 3.11Å; D79-K82 PolarHBondContact O-N 3.34Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 2.87Å
83	S	49.3	Very low	48.5	Very low	64 Å²	64	77.1 Å²	77.1	45%	0.448	40%	0.404	S	S	.	.	H	α-helix	trans	-89.2	-25.2	179.7	80.5	0	0	0	114.8	K63 D79 L80 F81	K63-S83 PolarHBondContact NZ-OG 3.43Å; D79-S83 WeakPolarHBondContact O-CB 3.46Å; D79-S83 PolarHBondContact O-N 3.3Å; D79-S83 VanDerWaalsContact O-N 3.11Å; L80-S83 WeakPolarHBondContact O-CB 3.4Å; L80-S83 PolarHBondContact O-N 3.46Å; L80-S83 PolarHBondContact O-OG 2.76Å; F81-S83 PolarHBondContact O-N 3.35Å
84	E	47.9	Very low	48.5	Very low	53 Å²	53	76.4 Å²	76.4	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-101	-29.1	-173.4	-74.5	-96	134.1	0	113	I58 N59 L80 F81	I58-E84 VanDerWaalsContact CG2-OE2 3.28Å; I58-E84 WeakPolarHBondContact CG2-OE2 3.16Å; N59-E84 VanDerWaalsContact CB-CD 3.49Å; N59-E84 WeakPolarHBondContact CB-OE1 3.46Å; N59-E84 PolarHBondContact ND2-OE1 3.28Å; L80-E84 PolarHBondContact O-N 3.3Å; L80-E84 VanDerWaalsContact O-N 3.14Å; F81-E84 PolarHBondContact O-N 3.47Å
85	I	44	Very low	48.7	Very low	34 Å²	34	76.2 Å²	76.2	17%	0.174	39%	0.392	C	S	.	.	S	Bend	trans	-117.3	120.9	-175	-54.6	174.9	0	0	107.4	P56 F81 S87 H89 V90 I93	P56-I85 HydrophobicContact CG-CD1 3.66Å; P56-I85 HydrophobicContact CG-CG1 4.29Å; F81-I85 HydrophobicContact CD1-CD1 3.71Å; F81-I85 HydrophobicContact CE1-CD1 4.17Å; F81-I85 PolarHBondContact O-N 3.05Å; I85-S87 PolarHBondContact O-N 2.8Å; I85-H89 HydrophobicContact CG2-CB 3.89Å; I85-V90 HydrophobicContact CB-CG2 3.44Å; I85-V90 VanDerWaalsContact CB-CG2 3.44Å; I85-V90 HydrophobicContact CG2-CG2 3.73Å; I85-V90 WeakPolarHBondContact O-CG2 3.2Å; I85-I93 HydrophobicContact CD1-CD1 4.25Å
86	D	43.6	Very low	48.6	Very low	131 Å²	131	74.2 Å²	74.2	70%	0.701	38%	0.384	S	S	*	.			trans	-41.4	127.2	175.7	-159.1	-18.4	0	0	110.7	K88 H89	D86-K88 PolarHBondContact O-N 3.3Å; D86-H89 PolarHBondContact O-N 3.38Å
87	S	41.9	Very low	48.3	Very low	81 Å²	81	71.7 Å²	71.7	57%	0.566	37%	0.37	S	S	*	.	H	α-helix	trans	-59.3	-7.9	-156	78.8	0	0	0	115.5	I85	I85-S87 PolarHBondContact O-N 2.8Å
88	K	45.1	Very low	48	Very low	157 Å²	157	75.5 Å²	75.5	68%	0.683	39%	0.387	S	S	*	.	H	α-helix	trans	-76.6	-34.5	177.4	-162.5	176.8	179.4	-172.7	112.6	D86	D86-K88 PolarHBondContact O-N 3.3Å
89	H	45.7	Very low	48	Very low	106 Å²	106	78.9 Å²	78.9	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-93.7	-22.3	-176.2	-58.1	95.1	0	0	112.8	I85 D86 D92 I93	I85-H89 HydrophobicContact CG2-CB 3.89Å; D86-H89 PolarHBondContact O-N 3.38Å; H89-D92 PolarHBondContact O-N 3.26Å; H89-I93 HydrophobicContact CB-CD1 4.38Å; H89-I93 WeakPolarHBondContact O-CB 3.35Å; H89-I93 WeakPolarHBondContact O-CD1 3.38Å; H89-I93 WeakPolarHBondContact O-CG1 3.34Å; H89-I93 PolarHBondContact O-N 3.07Å
90	V	42.1	Very low	47.5	Very low	3 Å²	3	78 Å²	78	2%	0.018	39%	0.393	C	S	.	.	H	α-helix	trans	-64.1	-47	-179.6	173.2	0	0	0	111.6	F81 I85 D92 I93 I94	F81-V90 HydrophobicContact CB-CG1 4.14Å; F81-V90 VanDerWaalsContact O-CG2 3.29Å; F81-V90 WeakPolarHBondContact O-CG2 3.3Å; I85-V90 HydrophobicContact CB-CG2 3.44Å; I85-V90 VanDerWaalsContact CB-CG2 3.44Å; I85-V90 HydrophobicContact CG2-CG2 3.73Å; I85-V90 WeakPolarHBondContact O-CG2 3.2Å; V90-D92 VanDerWaalsContact C-N 3.32Å; V90-D92 PolarHBondContact O-N 2.9Å; V90-I93 PolarHBondContact O-N 3.36Å; V90-I94 HydrophobicContact CG1-CD1 3.36Å; V90-I94 HydrophobicContact CG1-CG1 4.26Å; V90-I94 WeakPolarHBondContact O-CB 3.2Å; V90-I94 WeakPolarHBondContact O-CD1 3.21Å; V90-I94 WeakPolarHBondContact O-CG1 3.3Å; V90-I94 PolarHBondContact O-N 3.48Å
91	N	45.8	Very low	47	Very low	101 Å²	101	79.9 Å²	79.9	54%	0.54	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-40	177.8	-70	-12	0	0	111.2	I94 E95	N91-I94 PolarHBondContact O-N 2.97Å; N91-E95 WeakPolarHBondContact O-CB 3.42Å; N91-E95 PolarHBondContact O-N 3.32Å
92	D	51.5	Low	46.6	Very low	90 Å²	90	84.5 Å²	84.5	48%	0.481	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-41	177	-68.2	-11.3	0	0	111.3	H89 V90 T96	H89-D92 PolarHBondContact O-N 3.26Å; V90-D92 VanDerWaalsContact C-N 3.32Å; V90-D92 PolarHBondContact O-N 2.9Å; D92-T96 WeakPolarHBondContact O-CB 3.36Å; D92-T96 PolarHBondContact O-N 3.45Å; D92-T96 PolarHBondContact O-OG1 2.79Å
93	I	46.8	Very low	46.3	Very low	65 Å²	65	82.8 Å²	82.8	33%	0.333	43%	0.425	S	S	.	.	H	α-helix	trans	-66.9	-46.1	176.9	-69.3	164.4	0	0	110.2	I85 H89 V90 T96 M97	I85-I93 HydrophobicContact CD1-CD1 4.25Å; H89-I93 HydrophobicContact CB-CD1 4.38Å; H89-I93 WeakPolarHBondContact O-CB 3.35Å; H89-I93 WeakPolarHBondContact O-CD1 3.38Å; H89-I93 WeakPolarHBondContact O-CG1 3.34Å; H89-I93 PolarHBondContact O-N 3.07Å; V90-I93 PolarHBondContact O-N 3.36Å; I93-T96 PolarHBondContact O-N 2.83Å; I93-M97 HydrophobicContact CG2-CG 4.32Å; I93-M97 HydrophobicContact CG2-SD 3.82Å; I93-M97 WeakPolarHBondContact O-CB 2.92Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.45Å
94	I	48.3	Very low	46.1	Very low	30 Å²	30	80.6 Å²	80.6	15%	0.154	41%	0.413	C	S	.	.	H	α-helix	trans	-64.5	-47.2	178	-68.5	159.7	0	0	110.6	H78 V90 N91 T96 M97 E98	H78-I94 WeakPolarHBondContact CD2-CD1 3.24Å; H78-I94 WeakPolarHBondContact NE2-CD1 3.26Å; V90-I94 HydrophobicContact CG1-CD1 3.36Å; V90-I94 HydrophobicContact CG1-CG1 4.26Å; V90-I94 WeakPolarHBondContact O-CB 3.2Å; V90-I94 WeakPolarHBondContact O-CD1 3.21Å; V90-I94 WeakPolarHBondContact O-CG1 3.3Å; V90-I94 PolarHBondContact O-N 3.48Å; N91-I94 PolarHBondContact O-N 2.97Å; I94-T96 VanDerWaalsContact C-N 3.29Å; I94-T96 PolarHBondContact O-N 3.22Å; I94-M97 CarbonylContact O-C 3.54Å; I94-M97 PolarHBondContact O-N 2.82Å; I94-M97 VanDerWaalsContact O-N 3.15Å; I94-E98 HydrophobicContact CG2-CG 4.13Å; I94-E98 WeakPolarHBondContact O-CB 3.16Å; I94-E98 WeakPolarHBondContact O-CG 3.39Å; I94-E98 PolarHBondContact O-N 3.36Å
95	E	50.3	Low	45.6	Very low	129 Å²	129	83.9 Å²	83.9	60%	0.603	42%	0.424	S	S	*	.	H	α-helix	trans	-63.2	-38.5	178.1	-173.2	176.4	-168.9	0	110.7	N91 K99	N91-E95 WeakPolarHBondContact O-CB 3.42Å; N91-E95 PolarHBondContact O-N 3.32Å; E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 PolarHBondContact O-N 2.95Å
96	T	50.4	Low	45.7	Very low	75 Å²	75	88.5 Å²	88.5	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-42.7	173.8	-60.5	0	0	0	111.2	D92 I93 I94 K99 H100	D92-T96 WeakPolarHBondContact O-CB 3.36Å; D92-T96 PolarHBondContact O-N 3.45Å; D92-T96 PolarHBondContact O-OG1 2.79Å; I93-T96 PolarHBondContact O-N 2.83Å; I94-T96 VanDerWaalsContact C-N 3.29Å; I94-T96 PolarHBondContact O-N 3.22Å; T96-K99 PolarHBondContact O-N 2.88Å; T96-H100 WeakPolarHBondContact O-CB 3.42Å; T96-H100 PolarHBondContact O-N 3.42Å; T96-H100 PolarHBondContact O-ND1 3.43Å
97	M	47.1	Very low	45.7	Very low	30 Å²	30	88.3 Å²	88.3	15%	0.148	44%	0.438	C	S	.	.	H	α-helix	trans	-65.5	-47.2	176.2	-74.3	177.5	75.8	0	111.2	F46 I93 I94 K99 H100 L101	F46-M97 HydrophobicContact CD1-CE 4.37Å; F46-M97 HydrophobicContact CE1-CE 3.93Å; F46-M97 HydrophobicContact CE1-CG 4.12Å; F46-M97 HydrophobicContact CZ-CB 4.44Å; F46-M97 HydrophobicContact CZ-CE 4.38Å; F46-M97 HydrophobicContact CZ-CG 3.89Å; I93-M97 HydrophobicContact CG2-CG 4.32Å; I93-M97 HydrophobicContact CG2-SD 3.82Å; I93-M97 WeakPolarHBondContact O-CB 2.92Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.45Å; I94-M97 CarbonylContact O-C 3.54Å; I94-M97 PolarHBondContact O-N 2.82Å; I94-M97 VanDerWaalsContact O-N 3.15Å; M97-K99 VanDerWaalsContact C-N 3.31Å; M97-K99 PolarHBondContact O-N 3.01Å; M97-H100 PolarHBondContact O-N 2.93Å; M97-L101 WeakPolarHBondContact O-CB 3.35Å; M97-L101 WeakPolarHBondContact O-CG 3.33Å; M97-L101 PolarHBondContact O-N 3.31Å
98	E	46.4	Very low	45.5	Very low	110 Å²	110	89 Å²	89	51%	0.514	43%	0.434	S	S	.	.	H	α-helix	trans	-60.1	-41.5	175.7	-76	-174	148.7	0	111.2	I94 N102	I94-E98 HydrophobicContact CG2-CG 4.13Å; I94-E98 WeakPolarHBondContact O-CB 3.16Å; I94-E98 WeakPolarHBondContact O-CG 3.39Å; I94-E98 PolarHBondContact O-N 3.36Å; E98-N102 WeakPolarHBondContact O-CB 3.19Å; E98-N102 PolarHBondContact O-N 3.49Å; E98-N102 PolarHBondContact O-ND2 3.07Å
99	K	51.2	Low	45.2	Very low	133 Å²	133	85.9 Å²	85.9	58%	0.578	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-46.4	176.6	-169.6	178.5	179.9	-178.5	111.6	E95 T96 M97 N102 D103	E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 PolarHBondContact O-N 2.95Å; T96-K99 PolarHBondContact O-N 2.88Å; M97-K99 VanDerWaalsContact C-N 3.31Å; M97-K99 PolarHBondContact O-N 3.01Å; K99-N102 PolarHBondContact O-N 3.21Å; K99-D103 VanDerWaalsContact O-CB 3.3Å; K99-D103 WeakPolarHBondContact O-CB 3.26Å; K99-D103 PolarHBondContact O-N 3Å
100	H	45.1	Very low	45.2	Very low	79 Å²	79	85.1 Å²	85.1	37%	0.366	42%	0.424	S	S	.	.	H	α-helix	trans	-69.4	-36.3	178.9	-77.6	65.3	0	0	112.4	F46 Y50 T96 M97 G104	F46-H100 HydrophobicContact CE2-CB 4.36Å; Y50-H100 AromaticContact CE1-CD2 3.77Å; T96-H100 WeakPolarHBondContact O-CB 3.42Å; T96-H100 PolarHBondContact O-N 3.42Å; T96-H100 PolarHBondContact O-ND1 3.43Å; M97-H100 PolarHBondContact O-N 2.93Å; H100-G104 WeakPolarHBondContact O-CA 3.39Å; H100-G104 PolarHBondContact O-N 3.38Å
101	L	44	Very low	45.1	Very low	63 Å²	63	90.1 Å²	90.1	33%	0.33	45%	0.447	S	S	.	.	H	α-helix	trans	-66.8	-46.4	174.3	-74.2	168.6	0	0	110.6	F46 M97 G104 Y105	F46-L101 HydrophobicContact CD2-CD2 3.91Å; F46-L101 HydrophobicContact CD2-CG 4.4Å; F46-L101 HydrophobicContact CE2-CD2 4.24Å; F46-L101 HydrophobicContact CE2-CG 4.24Å; M97-L101 WeakPolarHBondContact O-CB 3.35Å; M97-L101 WeakPolarHBondContact O-CG 3.33Å; M97-L101 PolarHBondContact O-N 3.31Å; L101-G104 PolarHBondContact O-N 2.86Å; L101-Y105 WeakPolarHBondContact O-CB 3.3Å; L101-Y105 WeakPolarHBondContact O-CD2 3.47Å; L101-Y105 PolarHBondContact O-N 3.46Å
102	N	41.2	Very low	44.6	Very low	112 Å²	112	88.9 Å²	88.9	60%	0.599	44%	0.443	S	S	*	.	H	α-helix	trans	-66.1	-41.2	178.2	-75.8	-43.5	0	0	112.3	E98 K99 K106	E98-N102 WeakPolarHBondContact O-CB 3.19Å; E98-N102 PolarHBondContact O-N 3.49Å; E98-N102 PolarHBondContact O-ND2 3.07Å; K99-N102 PolarHBondContact O-N 3.21Å; N102-K106 WeakPolarHBondContact O-CB 3.32Å; N102-K106 PolarHBondContact O-N 3.26Å
103	D	45.1	Very low	44	Very low	92 Å²	92	88.7 Å²	88.7	49%	0.492	44%	0.442	S	S	.	.	H	α-helix	trans	-68.8	-40.4	176.5	-74.8	-21.7	0	0	111.3	K99 K106 Q107	K99-D103 VanDerWaalsContact O-CB 3.3Å; K99-D103 WeakPolarHBondContact O-CB 3.26Å; K99-D103 PolarHBondContact O-N 3Å; D103-K106 PolarHBondContact O-N 2.83Å; D103-Q107 WeakPolarHBondContact O-CB 3.21Å; D103-Q107 PolarHBondContact O-N 2.9Å
104	G	44.9	Very low	44	Very low	19 Å²	19	88.9 Å²	88.9	20%	0.196	45%	0.449	C	S	.	.	H	α-helix	trans	-66.6	-44.6	176.2	0	0	0	0	113.1	H100 L101 K106 Q107 I108	H100-G104 WeakPolarHBondContact O-CA 3.39Å; H100-G104 PolarHBondContact O-N 3.38Å; L101-G104 PolarHBondContact O-N 2.86Å; G104-K106 VanDerWaalsContact C-N 3.31Å; G104-K106 PolarHBondContact O-N 3.14Å; G104-Q107 PolarHBondContact O-N 2.92Å; G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.37Å; G104-I108 PolarHBondContact O-N 3.46Å
105	Y	38.3	Very low	43.4	Very low	122 Å²	122	93.5 Å²	93.5	48%	0.478	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-38.4	172.9	-95.9	-81.4	0	0	111.7	L101 Q107 I108 I109	L101-Y105 WeakPolarHBondContact O-CB 3.3Å; L101-Y105 WeakPolarHBondContact O-CD2 3.47Å; L101-Y105 PolarHBondContact O-N 3.46Å; Y105-Q107 VanDerWaalsContact C-N 3.35Å; Y105-I108 PolarHBondContact O-N 3.4Å; Y105-I109 WeakPolarHBondContact O-CB 3.44Å; Y105-I109 WeakPolarHBondContact O-CG1 3.13Å; Y105-I109 PolarHBondContact O-N 2.8Å
106	K	45.9	Very low	42.9	Very low	130 Å²	130	92.4 Å²	92.4	57%	0.565	47%	0.471	S	S	*	.	H	α-helix	trans	-64.7	-41	175.3	-171.5	176.9	178.8	-175.9	111.4	N102 D103 G104 I109 D110	N102-K106 WeakPolarHBondContact O-CB 3.32Å; N102-K106 PolarHBondContact O-N 3.26Å; D103-K106 PolarHBondContact O-N 2.83Å; G104-K106 VanDerWaalsContact C-N 3.31Å; G104-K106 PolarHBondContact O-N 3.14Å; K106-I109 PolarHBondContact O-N 3.24Å; K106-D110 WeakPolarHBondContact O-CB 3.46Å; K106-D110 PolarHBondContact O-N 2.8Å
107	Q	43.1	Very low	42.4	Very low	127 Å²	127	95.1 Å²	95.1	59%	0.593	48%	0.481	S	S	*	.	H	α-helix	trans	-66.3	-38.9	176.5	-162.5	171.9	12.6	0	111.9	D103 G104 Y105 D110 E111	D103-Q107 WeakPolarHBondContact O-CB 3.21Å; D103-Q107 PolarHBondContact O-N 2.9Å; G104-Q107 PolarHBondContact O-N 2.92Å; Y105-Q107 VanDerWaalsContact C-N 3.35Å; Q107-D110 PolarHBondContact O-N 3.37Å; Q107-E111 WeakPolarHBondContact O-CB 3.2Å; Q107-E111 WeakPolarHBondContact O-CG 3.35Å; Q107-E111 PolarHBondContact O-N 3.33Å
108	I	36.8	Very low	41.7	Very low	97 Å²	97	98.9 Å²	98.9	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-66.9	-41.7	173.2	-66.7	166.2	0	0	111	G104 Y105 E111 V112	G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.37Å; G104-I108 PolarHBondContact O-N 3.46Å; Y105-I108 PolarHBondContact O-N 3.4Å; I108-E111 PolarHBondContact O-N 3.42Å; I108-V112 HydrophobicContact CG2-CG2 4.31Å; I108-V112 WeakPolarHBondContact O-CB 3.47Å; I108-V112 WeakPolarHBondContact O-CG2 3.25Å; I108-V112 PolarHBondContact O-N 2.8Å
109	I	39	Very low	41.2	Very low	91 Å²	91	98.3 Å²	98.3	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175.4	-71.6	167.2	0	0	110.6	Y105 K106 V112 N113	Y105-I109 WeakPolarHBondContact O-CB 3.44Å; Y105-I109 WeakPolarHBondContact O-CG1 3.13Å; Y105-I109 PolarHBondContact O-N 2.8Å; K106-I109 PolarHBondContact O-N 3.24Å; I109-V112 PolarHBondContact O-N 2.78Å; I109-N113 WeakPolarHBondContact CG2-ND2 3.35Å; I109-N113 VanDerWaalsContact O-CB 3.25Å; I109-N113 WeakPolarHBondContact O-CB 3.41Å; I109-N113 PolarHBondContact O-N 2.81Å; I109-N113 PolarHBondContact O-ND2 2.92Å; I109-N113 VanDerWaalsContact O-ND2 3.13Å
110	D	45.5	Very low	40.5	Very low	90 Å²	90	100.5 Å²	100.5	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-67	-39.5	175.7	-79.2	-15.7	0	0	111.4	K106 Q107 N113 S114	K106-D110 WeakPolarHBondContact O-CB 3.46Å; K106-D110 PolarHBondContact O-N 2.8Å; Q107-D110 PolarHBondContact O-N 3.37Å; D110-N113 PolarHBondContact O-N 3.45Å; D110-S114 VanDerWaalsContact O-CB 3.27Å; D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 3.44Å; D110-S114 PolarHBondContact O-OG 2.83Å
111	E	40.9	Very low	39.9	Very low	108 Å²	108	103 Å²	103	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-46.6	172.7	-83.2	-175.7	173	0	111.4	Q107 I108 N113 S114 L115	Q107-E111 WeakPolarHBondContact O-CB 3.2Å; Q107-E111 WeakPolarHBondContact O-CG 3.35Å; Q107-E111 PolarHBondContact O-N 3.33Å; I108-E111 PolarHBondContact O-N 3.42Å; E111-N113 VanDerWaalsContact C-N 3.33Å; E111-N113 PolarHBondContact O-N 2.75Å; E111-S114 WeakPolarHBondContact CA-OG 3.35Å; E111-S114 PolarHBondContact O-N 3.18Å; E111-S114 PolarHBondContact O-OG 3.41Å; E111-L115 WeakPolarHBondContact O-CB 3.35Å; E111-L115 WeakPolarHBondContact O-CD1 3.42Å; E111-L115 VanDerWaalsContact O-CG 3.24Å; E111-L115 WeakPolarHBondContact O-CG 3.24Å; E111-L115 PolarHBondContact O-N 3.47Å
112	V	35	Very low	39.5	Very low	75 Å²	75	106 Å²	106	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-60.9	-41.6	175	169.9	0	0	0	111	I108 I109 L115 N116	I108-V112 HydrophobicContact CG2-CG2 4.31Å; I108-V112 WeakPolarHBondContact O-CB 3.47Å; I108-V112 WeakPolarHBondContact O-CG2 3.25Å; I108-V112 PolarHBondContact O-N 2.8Å; I109-V112 PolarHBondContact O-N 2.78Å; V112-L115 PolarHBondContact O-N 3.13Å; V112-N116 WeakPolarHBondContact O-CB 3.27Å; V112-N116 PolarHBondContact O-N 3.46Å
113	N	38.2	Very low	39.3	Very low	86 Å²	86	108.9 Å²	108.9	46%	0.46	57%	0.57	S	S	.	*	H	α-helix	trans	-67.7	-37.5	175.5	-74.9	-30.8	0	0	111.9	I109 D110 E111 L115 N116 I117	I109-N113 WeakPolarHBondContact CG2-ND2 3.35Å; I109-N113 VanDerWaalsContact O-CB 3.25Å; I109-N113 WeakPolarHBondContact O-CB 3.41Å; I109-N113 PolarHBondContact O-N 2.81Å; I109-N113 PolarHBondContact O-ND2 2.92Å; I109-N113 VanDerWaalsContact O-ND2 3.13Å; D110-N113 PolarHBondContact O-N 3.45Å; E111-N113 VanDerWaalsContact C-N 3.33Å; E111-N113 PolarHBondContact O-N 2.75Å; N113-L115 VanDerWaalsContact C-N 3.34Å; N113-N116 PolarHBondContact O-N 3.42Å; N113-I117 WeakPolarHBondContact O-CG1 3.47Å; N113-I117 PolarHBondContact O-N 3.28Å
114	S	46.6	Very low	38.9	Very low	69 Å²	69	116.9 Å²	116.9	48%	0.483	60%	0.604	S	S	.	*	H	α-helix	trans	-67.9	-34.9	175.2	80	0	0	0	112.2	D110 E111 I117	D110-S114 VanDerWaalsContact O-CB 3.27Å; D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 3.44Å; D110-S114 PolarHBondContact O-OG 2.83Å; E111-S114 WeakPolarHBondContact CA-OG 3.35Å; E111-S114 PolarHBondContact O-N 3.18Å; E111-S114 PolarHBondContact O-OG 3.41Å; S114-I117 PolarHBondContact O-N 3.31Å
115	L	35.6	Very low	38.6	Very low	127 Å²	127	121.8 Å²	121.8	67%	0.665	62%	0.624	S	S	*	*	H	α-helix	trans	-71.1	-32.5	174.1	-74.3	164	0	0	111.4	E111 V112 N113 I117 V118	E111-L115 WeakPolarHBondContact O-CB 3.35Å; E111-L115 WeakPolarHBondContact O-CD1 3.42Å; E111-L115 VanDerWaalsContact O-CG 3.24Å; E111-L115 WeakPolarHBondContact O-CG 3.24Å; E111-L115 PolarHBondContact O-N 3.47Å; V112-L115 PolarHBondContact O-N 3.13Å; N113-L115 VanDerWaalsContact C-N 3.34Å; L115-I117 VanDerWaalsContact C-N 3.31Å; L115-I117 PolarHBondContact O-N 3.39Å; L115-V118 PolarHBondContact O-N 3.43Å
116	N	41.1	Very low	38.7	Very low	106 Å²	106	121.8 Å²	121.8	57%	0.567	63%	0.632	S	S	*	*	H	α-helix	trans	-77.5	-7.9	175.5	-99.7	-5.3	0	0	114.7	V112 N113 V118	V112-N116 WeakPolarHBondContact O-CB 3.27Å; V112-N116 PolarHBondContact O-N 3.46Å; N113-N116 PolarHBondContact O-N 3.42Å; N116-V118 PolarHBondContact O-N 3.39Å
117	I	38.8	Very low	38.3	Very low	131 Å²	131	121.3 Å²	121.3	67%	0.672	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-7.9	171.8	-69.5	168.2	0	0	111.7	N113 S114 L115	N113-I117 WeakPolarHBondContact O-CG1 3.47Å; N113-I117 PolarHBondContact O-N 3.28Å; S114-I117 PolarHBondContact O-N 3.31Å; L115-I117 VanDerWaalsContact C-N 3.31Å; L115-I117 PolarHBondContact O-N 3.39Å
118	V	33.7	Very low	38	Very low	109 Å²	109	121 Å²	121	66%	0.661	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-2.7	179.7	-175.8	0	0	0	113.8	L115 N116 M120	L115-V118 PolarHBondContact O-N 3.43Å; N116-V118 PolarHBondContact O-N 3.39Å; V118-M120 VanDerWaalsContact C-N 3.26Å; V118-M120 PolarHBondContact O-N 3.34Å
119	S	35.4	Very low	38.1	Very low	99 Å²	99	122.5 Å²	122.5	69%	0.692	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	12.5	173.3	96.8	0	0	0	114.6
120	M	35.6	Very low	38	Very low	178 Å²	178	124.6 Å²	124.6	88%	0.877	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	14.5	-179.2	-92.2	-167.2	167.5	0	114.6	V118	V118-M120 VanDerWaalsContact C-N 3.26Å; V118-M120 PolarHBondContact O-N 3.34Å
121	I	32.9	Very low	37.5	Very low	131 Å²	131	127.1 Å²	127.1	67%	0.672	67%	0.671	S	S	*	*			trans	-134.6	132.9	-176.1	-52.7	179.5	0	0	109.3
122	D	36.5	Very low	37.2	Very low	127 Å²	127	128.5 Å²	128.5	68%	0.679	68%	0.684	S	S	*	*			trans	81.6	97.6	175.4	-80.2	-150.8	0	0	117.7
123	E	35.9	Very low	37.4	Very low	172 Å²	172	133 Å²	133	80%	0.804	70%	0.703	S	S	*	*				96.2	80.8	81.9	-86.7	-166.9	138.3	0	111
124	H	38.3	Very low	37.3	Very low	261 Å²	261	137.3 Å²	137.3	100%	1.208	73%	0.725	S	S	*	*				-175.4	0	106.8	-128.1	-35.8	0	0	113.7

Retrieved 124 of 124 residues in 123.1 ms (Link to these results)

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