A0A077ZJ22_TRITR Loading...

Histone H3

Putative variant histone H3 which may replace conventional H3 in a subset of nucleosomes. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling.

AlphaFold DB , UniProt , Accession A0A077ZJ22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZJ22_TRITR|A0A077ZJ22
MARTKQTARKSTGGKAPRKQLATKAARKSVPFVGAIKKAHRYRPGTVALREIRRYQKSTELLIRRLPFQRLVREIPQDFKADLRFQMSAVLALQEATEAYLVGLFEDTNLCAIHARRVTIMAKDIQLARRIRGERV
					

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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	47.4	Very low	64.2	Low	256 Å²	256	176.5 Å²	176.5	100%	1.261	91%	0.906	S	S	*	*				0	111.3	0	-81.5	176.3	172.9	0	0	108.9
2	A	62.2	Low	64.1	Low	100 Å²	100	172.1 Å²	172.1	83%	0.826	89%	0.894	S	S	*	*			trans	-107.3	121.4	179.1	0	0	0	0	0	110.2	T4	A2-T4 PolarHBondContact O-N 3.24Å
3	R	61.2	Low	63.4	Low	257 Å²	257	165.3 Å²	165.3	97%	0.97	89%	0.891	S	S	*	*			trans	-70.4	113.3	-178.7	-119.8	177.5	177.5	178.5	-0.4	110.1
4	T	71.7	Confident	63.3	Low	135 Å²	135	158.4 Å²	158.4	83%	0.828	88%	0.878	S	S	*	*			trans	-81	114.8	168.1	45.3	0	0	0	0	109.6	A2 Q6	A2-T4 PolarHBondContact O-N 3.24Å; T4-Q6 PolarHBondContact O-N 3.26Å
5	K	72	Confident	63.1	Low	204 Å²	204	161.4 Å²	161.4	89%	0.887	88%	0.878	S	S	*	*			trans	-78.2	100.8	177.1	-138.8	177.3	-173.3	179.6	0	108.2	T7	K5-T7 PolarHBondContact O-N 3.38Å
6	Q	70.2	Confident	63	Low	192 Å²	192	157.1 Å²	157.1	90%	0.897	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-62.8	118.4	168.2	-83	-172.3	-9.5	0	0	108.9	T4	T4-Q6 PolarHBondContact O-N 3.26Å
7	T	66.6	Low	63	Low	131 Å²	131	155.8 Å²	155.8	80%	0.804	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-86.9	120.1	167.5	48.1	0	0	0	0	109	K5 R9	K5-T7 PolarHBondContact O-N 3.38Å; T7-R9 PolarHBondContact O-N 3.29Å
8	A	63.6	Low	62.9	Low	103 Å²	103	160.7 Å²	160.7	85%	0.851	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-66.1	117.5	178.6	0	0	0	0	0	110.9
9	R	63.4	Low	62.3	Low	247 Å²	247	163 Å²	163	93%	0.932	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-84.2	120.1	165.6	-97.4	-179.6	163.2	-177.6	-3.4	108.8	T7	T7-R9 PolarHBondContact O-N 3.29Å
10	K	61	Low	61.9	Low	191 Å²	191	163.9 Å²	163.9	83%	0.83	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-62	140.9	173.1	-69.4	-175.9	179.5	-177.4	0	110.7	T12	K10-T12 PolarHBondContact O-N 3.24Å
11	S	66.5	Low	61.5	Low	126 Å²	126	164 Å²	164	88%	0.881	87%	0.873	S	S	*	*	S	Bend	trans	-70.3	-5.2	-175.1	45.6	0	0	0	0	115.4	G13	S11-G13 PolarHBondContact O-N 3.44Å
12	T	62.9	Low	61.8	Low	123 Å²	123	156.3 Å²	156.3	76%	0.755	85%	0.851	S	S	*	*			trans	-90.4	79.8	175.6	52.6	0	0	0	0	110.3	K10 G14	K10-T12 PolarHBondContact O-N 3.24Å; T12-G14 PolarHBondContact O-N 3.2Å
13	G	56.1	Low	61.4	Low	84 Å²	84	157.4 Å²	157.4	87%	0.866	85%	0.847	S	S	*	*			trans	-72.7	107.2	169.9	0	0	0	0	0	110.7	S11	S11-G13 PolarHBondContact O-N 3.44Å
14	G	62	Low	61.1	Low	68 Å²	68	153.5 Å²	153.5	70%	0.701	84%	0.837	S	S	*	*	S	Bend	trans	171.9	72.9	176.4	0	0	0	0	0	114.4	T12	T12-G14 PolarHBondContact O-N 3.2Å
15	K	60.3	Low	60.4	Low	204 Å²	204	152.5 Å²	152.5	89%	0.887	84%	0.843	S	S	*	*			trans	59.1	124.6	170	-67.6	-179	173.8	172.6	0	116.9
16	A	61	Low	59.5	Low	93 Å²	93	145.7 Å²	145.7	77%	0.769	83%	0.825	S	S	*	*			trans	-58.4	133.1	170.7	0	0	0	0	0	111	R18	A16-R18 PolarHBondContact O-N 3.32Å
17	P	63.4	Low	58.8	Low	135 Å²	135	147.8 Å²	147.8	88%	0.877	82%	0.824	S	S	*	*			trans	-72.4	112.3	175.5	19.1	-15.1	0	0	0	109.2
18	R	59.8	Low	58	Low	244 Å²	244	151.6 Å²	151.6	92%	0.921	83%	0.83	S	S	*	*			trans	-87.3	117.6	175.2	-141.9	177.4	-169.7	180	1.9	108.4	A16 Q20	A16-R18 PolarHBondContact O-N 3.32Å; R18-Q20 PolarHBondContact O-N 3.22Å
19	K	52.5	Low	57.3	Low	204 Å²	204	152 Å²	152	89%	0.887	83%	0.826	S	S	*	*			trans	-59.1	128.1	172	-85.7	179.7	171.6	-178.8	0	110.2
20	Q	54	Low	56.9	Low	180 Å²	180	146 Å²	146	84%	0.841	82%	0.817	S	S	*	*			trans	38.8	110.4	153.8	-66.1	178	-8.3	0	0	118.7	R18	R18-Q20 PolarHBondContact O-N 3.22Å
21	L	53.6	Low	56.5	Low	166 Å²	166	142.5 Å²	142.5	87%	0.869	81%	0.814	S	S	*	*			trans	-174.8	113.2	132.3	-103.3	138.2	0	0	0	108	T23	L21-T23 PolarHBondContact O-N 3.29Å
22	A	54.2	Low	56.1	Low	96 Å²	96	144.5 Å²	144.5	79%	0.793	81%	0.807	S	S	*	*			trans	-58.4	122	170.4	0	0	0	0	0	108.9
23	T	53.8	Low	55.8	Low	122 Å²	122	145.7 Å²	145.7	75%	0.748	81%	0.814	S	S	*	*			trans	179.2	147.6	154.7	40	0	0	0	0	109	L21	L21-T23 PolarHBondContact O-N 3.29Å
24	K	55	Low	56.3	Low	175 Å²	175	143 Å²	143	76%	0.761	79%	0.786	S	S	*	*			trans	89	85.9	162	-60.2	177.7	-179.7	179	0	118.5	A26	K24-A26 VanDerWaalsContact CA-N 3.34Å; K24-A26 HydrophobicContact CB-CB 3.77Å; K24-A26 HydrophobicContact CD-CB 4.06Å; K24-A26 HydrophobicContact CG-CB 3.7Å; K24-A26 PolarHBondContact O-N 3.05Å
25	A	57.1	Low	56.5	Low	114 Å²	114	144.7 Å²	144.7	94%	0.942	79%	0.793	S	S	*	*				-78.1	49.5	125.5	0	0	0	0	0	110.2	R27	A25-R27 PolarHBondContact O-N 3.33Å
26	A	52.7	Low	57	Low	61 Å²	61	142.2 Å²	142.2	50%	0.504	79%	0.788	S	S	.	*			trans	-89.4	101.1	167.9	0	0	0	0	0	106.4	K24 K28	K24-A26 VanDerWaalsContact CA-N 3.34Å; K24-A26 HydrophobicContact CB-CB 3.77Å; K24-A26 HydrophobicContact CD-CB 4.06Å; K24-A26 HydrophobicContact CG-CB 3.7Å; K24-A26 PolarHBondContact O-N 3.05Å; A26-K28 PolarHBondContact O-N 3.46Å
27	R	54.4	Low	57.7	Low	237 Å²	237	147 Å²	147	89%	0.894	79%	0.792	S	S	*	*			trans	-47.5	130.7	164.6	-72.3	178.1	175.7	173.9	-1	107.3	A25 S29	A25-R27 PolarHBondContact O-N 3.33Å; R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 2.77Å
28	K	51.3	Low	58.7	Low	211 Å²	211	150.4 Å²	150.4	92%	0.917	79%	0.792	S	S	*	*	S	Bend	trans	-57.2	91.2	-178.5	-77.6	176.1	172.6	176.2	0	110.8	A26	A26-K28 PolarHBondContact O-N 3.46Å
29	S	48.8	Very low	60	Low	111 Å²	111	143.2 Å²	143.2	78%	0.776	79%	0.785	S	S	*	*			trans	-132.3	74.7	160.7	59.1	0	0	0	0	107	R27	R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 2.77Å
30	V	55.5	Low	61.8	Low	121 Å²	121	140.7 Å²	140.7	73%	0.733	78%	0.776	S	S	*	*	S	Bend	trans	-128.5	131.3	166.1	-113.7	0	0	0	0	105.5	F32	V30-F32 VanDerWaalsContact C-N 3.33Å; V30-F32 PolarHBondContact O-N 2.86Å
31	P	50.9	Low	63.6	Low	118 Å²	118	142.7 Å²	142.7	77%	0.766	78%	0.776	S	S	*	*			trans	-69.4	97	179	29.4	-30.7	0	0	0	107.1	V33	P31-V33 PolarHBondContact O-N 3.28Å
32	F	58.4	Low	65.6	Low	167 Å²	167	140.7 Å²	140.7	73%	0.732	76%	0.758	S	S	*	*			trans	-68.8	105.1	165.1	-174	-105.2	0	0	0	106.1	V30 G34	V30-F32 VanDerWaalsContact C-N 3.33Å; V30-F32 PolarHBondContact O-N 2.86Å; F32-G34 VanDerWaalsContact CE1-CA 3.49Å; F32-G34 PolarHBondContact O-N 2.83Å
33	V	56.1	Low	67.6	Low	149 Å²	149	146.1 Å²	146.1	90%	0.903	76%	0.758	S	S	*	*			trans	-71	69.6	168.9	-172.8	0	0	0	0	107.8	P31	P31-V33 PolarHBondContact O-N 3.28Å
34	G	66.7	Low	69.6	Low	28 Å²	28	146.5 Å²	146.5	29%	0.289	76%	0.762	S	S	.	*	S	Bend	trans	-163.5	151.6	175.7	0	0	0	0	0	107.8	F32 I36	F32-G34 VanDerWaalsContact CE1-CA 3.49Å; F32-G34 PolarHBondContact O-N 2.83Å; G34-I36 PolarHBondContact O-N 2.86Å
35	A	66.6	Low	71.6	Confident	102 Å²	102	140 Å²	140	84%	0.843	75%	0.746	S	S	*	*			trans	-44	106.3	-170.6	0	0	0	0	0	112	K37	A35-K37 PolarHBondContact O-N 3.07Å
36	I	70.7	Confident	73.5	Confident	152 Å²	152	137.3 Å²	137.3	78%	0.779	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-53.9	117.8	170.9	-65	168.8	0	0	0	105.5	G34 K38	G34-I36 PolarHBondContact O-N 2.86Å; I36-K38 PolarHBondContact O-N 3.13Å
37	K	77.1	Confident	75.7	Confident	195 Å²	195	136.7 Å²	136.7	85%	0.848	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-50.6	122.5	172.9	-75.6	-174.4	177	-173.8	0	107.1	A35 A39	A35-K37 PolarHBondContact O-N 3.07Å; K37-A39 PolarHBondContact O-N 3.05Å; K37-A39 VanDerWaalsContact O-N 3.13Å
38	K	82.7	Confident	77.7	Confident	205 Å²	205	127.6 Å²	127.6	89%	0.891	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-47	125.5	-179.6	-68.7	-175.6	179.2	-179.1	0	108.6	I36 H40	I36-K38 PolarHBondContact O-N 3.13Å; K38-H40 PolarHBondContact O-N 3.2Å
39	A	87.8	Confident	79.9	Confident	93 Å²	93	121.8 Å²	121.8	77%	0.769	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.5	177.4	0	0	0	0	0	108.8	K37 R41	K37-A39 PolarHBondContact O-N 3.05Å; K37-A39 VanDerWaalsContact O-N 3.13Å; A39-R41 PolarHBondContact O-N 3.32Å
40	H	90.4	Very high	82.3	Confident	151 Å²	151	121.8 Å²	121.8	70%	0.699	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-63	122.1	178.6	174.4	-84	0	0	0	109.4	K38 Y42	K38-H40 PolarHBondContact O-N 3.2Å; H40-Y42 AromaticContact CE1-CD1 3.87Å; H40-Y42 AromaticContact CE1-CE1 3.77Å; H40-Y42 AromaticContact CE1-CZ 3.97Å
41	R	92.8	Very high	84.3	Confident	222 Å²	222	120.3 Å²	120.3	84%	0.838	63%	0.629	S	S	*	*			trans	-119.7	126.6	176	-171.6	175.7	178.8	171.9	0.5	109.5	A39	A39-R41 PolarHBondContact O-N 3.32Å
42	Y	94.6	Very high	86.5	Confident	124 Å²	124	118.7 Å²	118.7	49%	0.486	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-63.7	145.9	171.2	-69.7	-74.3	0	0	0	110.6	H40 T46 V47	H40-Y42 AromaticContact CE1-CD1 3.87Å; H40-Y42 AromaticContact CE1-CE1 3.77Å; H40-Y42 AromaticContact CE1-CZ 3.97Å; Y42-T46 HydrophobicContact CD1-CG2 3.81Å; Y42-T46 HydrophobicContact CG-CG2 4.44Å; Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4.02Å
43	R	95.9	Very high	88.4	Confident	211 Å²	211	117.7 Å²	117.7	80%	0.796	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-64.2	145.5	172.7	-64.8	-176.4	176.8	-164.8	-1	109.9	G45 T46	R43-G45 PolarHBondContact O-N 3.22Å; R43-T46 WeakPolarHBondContact O-CB 3.49Å; R43-T46 PolarHBondContact O-N 3.07Å; R43-T46 PolarHBondContact O-OG1 3.29Å
44	P	96.7	Very high	90.4	Very high	129 Å²	129	117.7 Å²	117.7	84%	0.838	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.4	139.7	171.7	-25.8	34.6	0	0	0	111.1	T46	P44-T46 VanDerWaalsContact C-N 3.28Å; P44-T46 PolarHBondContact O-N 3.32Å
45	G	96.5	Very high	91.9	Very high	40 Å²	40	121 Å²	121	41%	0.412	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.8	-25.2	-174.5	0	0	0	0	0	115.5	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 3.22Å; G45-V47 PolarHBondContact O-N 3.44Å; G45-A48 PolarHBondContact O-N 2.8Å; G45-L49 WeakPolarHBondContact O-CG 3.38Å; G45-L49 PolarHBondContact O-N 3.31Å
46	T	97.8	Very high	93.4	Very high	57 Å²	57	123.2 Å²	123.2	35%	0.35	59%	0.586	S	S	.	*	H	α-helix	trans	-62.8	-44.2	-179.2	-50.1	0	0	0	0	112.1	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.81Å; Y42-T46 HydrophobicContact CG-CG2 4.44Å; R43-T46 WeakPolarHBondContact O-CB 3.49Å; R43-T46 PolarHBondContact O-N 3.07Å; R43-T46 PolarHBondContact O-OG1 3.29Å; P44-T46 VanDerWaalsContact C-N 3.28Å; P44-T46 PolarHBondContact O-N 3.32Å; T46-R50 PolarHBondContact O-N 3.02Å
47	V	97.6	Very high	94.7	Very high	47 Å²	47	124.7 Å²	124.7	29%	0.285	59%	0.586	S	S	.	*	H	α-helix	trans	-71.9	-42.6	179.3	-179.9	0	0	0	0	110.5	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4.02Å; G45-V47 PolarHBondContact O-N 3.44Å; V47-L49 PolarHBondContact O-N 2.91Å; V47-R50 WeakPolarHBondContact O-CB 3.48Å; V47-R50 PolarHBondContact O-N 3.5Å; V47-R50 VanDerWaalsContact O-N 3.07Å; V47-E51 HydrophobicContact CG1-CG 4.42Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.43Å; V47-E51 WeakPolarHBondContact O-CG 3.5Å; V47-E51 PolarHBondContact O-N 3.42Å
48	A	97.5	Very high	95.6	Very high	46 Å²	46	117.4 Å²	117.4	38%	0.38	56%	0.56	S	S	.	*	H	α-helix	trans	-58.1	-47.5	177.4	0	0	0	0	0	112.1	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 2.8Å; A48-R50 PolarHBondContact O-N 3.4Å; A48-E51 PolarHBondContact O-N 3.47Å; A48-E51 VanDerWaalsContact O-N 3.17Å; A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.27Å; A48-I52 PolarHBondContact O-N 3.27Å
49	L	97.8	Very high	96.3	Very high	89 Å²	89	114.6 Å²	114.6	47%	0.466	56%	0.56	S	S	.	*	H	α-helix	trans	-64.9	-28.4	176.8	-70.3	174.7	0	0	0	113.2	G45 V47 I52 R53	G45-L49 WeakPolarHBondContact O-CG 3.38Å; G45-L49 PolarHBondContact O-N 3.31Å; V47-L49 PolarHBondContact O-N 2.91Å; L49-I52 HydrophobicContact CD2-CD1 4.47Å; L49-R53 WeakPolarHBondContact O-CB 3.36Å; L49-R53 WeakPolarHBondContact O-CG 3.5Å; L49-R53 PolarHBondContact O-N 3.13Å; L49-R53 PolarHBondContact O-NE 3.5Å
50	R	98.1	Very high	96.7	Very high	111 Å²	111	115 Å²	115	42%	0.419	55%	0.546	S	S	.	.	H	α-helix	trans	-72.9	-40.3	174.4	-177.8	175.4	61.6	-126.7	3.1	111.1	T46 V47 A48 R54	T46-R50 PolarHBondContact O-N 3.02Å; V47-R50 WeakPolarHBondContact O-CB 3.48Å; V47-R50 PolarHBondContact O-N 3.5Å; V47-R50 VanDerWaalsContact O-N 3.07Å; A48-R50 PolarHBondContact O-N 3.4Å; R50-R54 WeakPolarHBondContact O-CB 3.22Å; R50-R54 PolarHBondContact O-N 2.93Å
51	E	97.8	Very high	97	Very high	90 Å²	90	110.5 Å²	110.5	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-46.7	175.6	-73.6	170	-174.7	0	0	111.6	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.42Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.43Å; V47-E51 WeakPolarHBondContact O-CG 3.5Å; V47-E51 PolarHBondContact O-N 3.42Å; A48-E51 PolarHBondContact O-N 3.47Å; A48-E51 VanDerWaalsContact O-N 3.17Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.38Å; E51-R54 WeakPolarHBondContact O-CA 3.45Å; E51-R54 WeakPolarHBondContact O-CB 3.31Å; E51-R54 PolarHBondContact O-N 2.89Å; E51-Y55 HydrophobicContact CB-CD2 4.27Å; E51-Y55 HydrophobicContact CB-CE2 3.95Å; E51-Y55 HydrophobicContact CG-CE2 4.45Å; E51-Y55 WeakPolarHBondContact O-CD2 3.38Å; E51-Y55 PolarHBondContact O-N 3.31Å
52	I	97.7	Very high	97.2	Very high	84 Å²	84	104.5 Å²	104.5	43%	0.431	51%	0.511	S	S	.	.	H	α-helix	trans	-53.9	-51.2	175	-68.2	164.8	0	0	0	110.4	A48 L49 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.27Å; A48-I52 PolarHBondContact O-N 3.27Å; L49-I52 HydrophobicContact CD2-CD1 4.47Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.35Å; I52-Y55 PolarHBondContact O-N 3.02Å; I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.18Å; I52-Q56 VanDerWaalsContact O-CG 3.31Å; I52-Q56 WeakPolarHBondContact O-CG 3.32Å; I52-Q56 PolarHBondContact O-N 3.01Å
53	R	98	Very high	97.3	Very high	146 Å²	146	101.5 Å²	101.5	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-64.1	-29.3	177.8	-79.4	-174.8	-88.1	-105	6.1	114	L49 E51 K57	L49-R53 WeakPolarHBondContact O-CB 3.36Å; L49-R53 WeakPolarHBondContact O-CG 3.5Å; L49-R53 PolarHBondContact O-N 3.13Å; L49-R53 PolarHBondContact O-NE 3.5Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.38Å; R53-K57 WeakPolarHBondContact O-CD 3.3Å; R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.41Å
54	R	98.1	Very high	97.4	Very high	149 Å²	149	101.1 Å²	101.1	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-70.7	-53	175.9	177.2	-174.7	169.3	-172.6	-5.1	109.8	R50 E51 I52 Q56 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.22Å; R50-R54 PolarHBondContact O-N 2.93Å; E51-R54 WeakPolarHBondContact O-CA 3.45Å; E51-R54 WeakPolarHBondContact O-CB 3.31Å; E51-R54 PolarHBondContact O-N 2.89Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.35Å; R54-Q56 PolarHBondContact O-N 3.37Å; R54-K57 PolarHBondContact O-N 3.25Å; R54-K57 VanDerWaalsContact O-N 3.13Å; R54-S58 PolarHBondContact O-N 3.17Å; R54-S58 PolarHBondContact O-OG 3.37Å; R54-E60 IonicContact NH2-OE1 3.79Å
55	Y	97.8	Very high	97.3	Very high	97 Å²	97	103.1 Å²	103.1	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-71	-29.6	-175.2	-61.5	-49.9	0	0	0	113.2	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.27Å; E51-Y55 HydrophobicContact CB-CE2 3.95Å; E51-Y55 HydrophobicContact CG-CE2 4.45Å; E51-Y55 WeakPolarHBondContact O-CD2 3.38Å; E51-Y55 PolarHBondContact O-N 3.31Å; I52-Y55 PolarHBondContact O-N 3.02Å; Y55-K57 PolarHBondContact O-N 2.88Å; Y55-S58 PolarHBondContact O-N 2.95Å; Y55-S58 VanDerWaalsContact O-O 3.1Å; Y55-S58 PolarHBondContact O-OG 3.45Å; Y55-L62 HydrophobicContact CD1-CD2 3.77Å; Y55-L62 HydrophobicContact CE1-CD2 3.92Å
56	Q	97.4	Very high	97.2	Very high	149 Å²	149	105.8 Å²	105.8	70%	0.696	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.4	171.3	-75	-179.6	-29.7	0	0	113.7	I52 R54	I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.18Å; I52-Q56 VanDerWaalsContact O-CG 3.31Å; I52-Q56 WeakPolarHBondContact O-CG 3.32Å; I52-Q56 PolarHBondContact O-N 3.01Å; R54-Q56 PolarHBondContact O-N 3.37Å
57	K	98	Very high	97.2	Very high	183 Å²	183	106.5 Å²	106.5	80%	0.796	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-22.5	177.7	-74.8	-179.8	179.8	-168.1	0	113	R53 R54 Y55	R53-K57 WeakPolarHBondContact O-CD 3.3Å; R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.41Å; R54-K57 PolarHBondContact O-N 3.25Å; R54-K57 VanDerWaalsContact O-N 3.13Å; Y55-K57 PolarHBondContact O-N 2.88Å
58	S	96.8	Very high	97.2	Very high	42 Å²	42	105 Å²	105	29%	0.294	49%	0.492	S	S	.	.			trans	-97.9	162.5	179.8	58	0	0	0	0	111.1	R54 Y55	R54-S58 PolarHBondContact O-N 3.17Å; R54-S58 PolarHBondContact O-OG 3.37Å; Y55-S58 PolarHBondContact O-N 2.95Å; Y55-S58 VanDerWaalsContact O-O 3.1Å; Y55-S58 PolarHBondContact O-OG 3.45Å
59	T	96.6	Very high	97.1	Very high	147 Å²	147	105.1 Å²	105.1	90%	0.902	49%	0.485	S	S	*	.			trans	-122.6	21.3	174.4	62.1	0	0	0	0	110.7
60	E	96.3	Very high	97	Very high	101 Å²	101	108.9 Å²	108.9	47%	0.472	49%	0.493	S	S	.	.			trans	-74.1	140.8	179.5	66	-176.2	166	0	0	110.5	R54 L62	R54-E60 IonicContact NH2-OE1 3.79Å; E60-L62 HydrophobicContact CG-CD2 4.16Å; E60-L62 PolarHBondContact O-N 3.47Å
61	L	96.8	Very high	96.9	Very high	56 Å²	56	107.5 Å²	107.5	29%	0.293	49%	0.493	S	S	.	.			trans	-67.7	129.2	172.6	-65	174.4	0	0	0	110	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CG 4.11Å; L61-Q94 HydrophobicContact CD2-CG 4.4Å; L61-E95 HydrophobicContact CD1-CG 4.45Å; L61-E95 HydrophobicContact CD2-CG 4.03Å; L61-E98 WeakPolarHBondContact CA-OE2 3.35Å; L61-E98 HydrophobicContact CD2-CG 4.49Å
62	L	97.3	Very high	96.7	Very high	96 Å²	96	104 Å²	104	50%	0.503	48%	0.478	S	S	.	.			trans	-92.7	-26.6	-172.8	-57.2	-178.4	0	0	0	112.5	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.77Å; Y55-L62 HydrophobicContact CE1-CD2 3.92Å; E60-L62 HydrophobicContact CG-CD2 4.16Å; E60-L62 PolarHBondContact O-N 3.47Å; L62-E98 PolarHBondContact N-OE1 2.74Å; L62-E98 PolarHBondContact N-OE2 3.33Å
63	I	97.3	Very high	96.5	Very high	61 Å²	61	104.6 Å²	104.6	31%	0.313	48%	0.475	S	S	.	.	S	Bend	trans	-80.4	134	176.4	-56.5	177	0	0	0	109.1	R65 F68 Q94 E98 L101	I63-R65 PolarHBondContact O-N 2.9Å; I63-F68 HydrophobicContact CG2-CB 3.96Å; I63-F68 HydrophobicContact CG2-CD2 4.2Å; I63-F68 HydrophobicContact CG2-CG 4.47Å; I63-Q94 PolarHBondContact O-NE2 2.91Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.49Å; I63-E98 HydrophobicContact CD1-CG 3.74Å; I63-E98 HydrophobicContact CG1-CG 3.93Å; I63-E98 PolarHBondContact N-OE1 2.93Å; I63-L101 HydrophobicContact CD1-CD1 4.36Å
64	R	97.4	Very high	96.3	Very high	204 Å²	204	104 Å²	104	77%	0.77	48%	0.478	S	S	*	.			trans	-63.5	127.9	177.3	-65.7	-177.6	-179	-175.6	0.6	110.1	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.47Å; R64-P67 HydrophobicContact CB-CG 3.97Å; R64-P67 WeakPolarHBondContact O-CD 3.48Å; R64-F68 PolarHBondContact O-N 3.25Å
65	R	93.9	Very high	96.1	Very high	171 Å²	171	101.3 Å²	101.3	65%	0.645	47%	0.474	S	S	*	.	H	α-helix	trans	-53.8	-47.3	-176.2	-67.5	-176.9	176.2	-179	-2	114.1	I63 F68 Q69	I63-R65 PolarHBondContact O-N 2.9Å; R65-F68 PolarHBondContact O-N 2.88Å; R65-Q69 VanDerWaalsContact O-CB 3.31Å; R65-Q69 WeakPolarHBondContact O-CB 3.49Å; R65-Q69 PolarHBondContact O-N 2.95Å
66	L	95.8	Very high	95.9	Very high	95 Å²	95	97.9 Å²	97.9	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-49.3	-174.9	175.7	66.1	0	0	0	113.3	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.47Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3.47Å; L66-Q69 PolarHBondContact O-N 3.4Å; L66-R70 WeakPolarHBondContact O-CG 3.49Å; L66-R70 PolarHBondContact O-N 3.04Å
67	P	97.4	Very high	95.6	Very high	73 Å²	73	95.7 Å²	95.7	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-56.7	-43.5	171.7	-28.8	35.5	0	0	0	113.6	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.97Å; R64-P67 WeakPolarHBondContact O-CD 3.48Å; P67-Q69 PolarHBondContact O-N 2.94Å; P67-R70 PolarHBondContact O-N 2.82Å; P67-L71 PolarHBondContact O-N 3.23Å; P67-L71 VanDerWaalsContact O-N 3.13Å
68	F	97.3	Very high	95.1	Very high	14 Å²	14	94 Å²	94	6%	0.061	45%	0.453	C	S	.	.	H	α-helix	trans	-61.9	-44.9	178.1	-174.2	-97.5	0	0	0	111.6	I63 R64 R65 L66 R70 L71 V72 V90 L93 Q94 T97	I63-F68 HydrophobicContact CG2-CB 3.96Å; I63-F68 HydrophobicContact CG2-CD2 4.2Å; I63-F68 HydrophobicContact CG2-CG 4.47Å; R64-F68 PolarHBondContact O-N 3.25Å; R65-F68 PolarHBondContact O-N 2.88Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3.47Å; F68-R70 VanDerWaalsContact C-N 3.3Å; F68-R70 PolarHBondContact O-N 3.29Å; F68-L71 PolarHBondContact O-N 2.96Å; F68-V72 HydrophobicContact CD1-CG2 3.83Å; F68-V72 HydrophobicContact CE1-CG2 3.39Å; F68-V72 HydrophobicContact CE2-CG2 4.41Å; F68-V72 HydrophobicContact CG-CG2 4.49Å; F68-V72 HydrophobicContact CZ-CG2 3.72Å; F68-V72 WeakPolarHBondContact O-CG2 3.45Å; F68-V72 PolarHBondContact O-N 3.32Å; F68-V90 HydrophobicContact CD1-CG1 4.28Å; F68-V90 HydrophobicContact CE1-CG1 4.49Å; F68-L93 HydrophobicContact CE1-CB 4.14Å; F68-L93 HydrophobicContact CZ-CB 4.21Å; F68-Q94 HydrophobicContact CD1-CB 3.72Å; F68-Q94 HydrophobicContact CD1-CG 3.9Å; F68-Q94 HydrophobicContact CD2-CG 4.45Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 3.99Å; F68-Q94 HydrophobicContact CG-CB 4.44Å; F68-Q94 HydrophobicContact CG-CG 4.16Å; F68-Q94 VanDerWaalsContact CZ-CA 3.42Å; F68-Q94 HydrophobicContact CZ-CB 3.94Å; F68-Q94 HydrophobicContact CZ-CG 4.32Å; F68-T97 HydrophobicContact CE2-CG2 4.12Å
69	Q	95.4	Very high	94.9	Very high	50 Å²	50	100.3 Å²	100.3	23%	0.234	48%	0.475	C	S	.	.	H	α-helix	trans	-60.5	-37.6	176.6	-175	-176.6	8.5	0	0	112.6	R65 L66 P67 R73 V90	R65-Q69 VanDerWaalsContact O-CB 3.31Å; R65-Q69 WeakPolarHBondContact O-CB 3.49Å; R65-Q69 PolarHBondContact O-N 2.95Å; L66-Q69 PolarHBondContact O-N 3.4Å; P67-Q69 PolarHBondContact O-N 2.94Å; Q69-R73 WeakPolarHBondContact O-CG 3.3Å; Q69-R73 PolarHBondContact O-N 2.85Å; Q69-R73 VanDerWaalsContact O-N 3.14Å; Q69-V90 HydrophobicContact CB-CG1 4.17Å; Q69-V90 HydrophobicContact CG-CG1 4.22Å
70	R	95.7	Very high	94.6	Very high	167 Å²	167	99.9 Å²	99.9	63%	0.63	46%	0.461	S	S	*	.	H	α-helix	trans	-63.4	-47.5	175.6	-71.5	177	-176.1	-177.4	-0.8	110.9	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.49Å; L66-R70 PolarHBondContact O-N 3.04Å; P67-R70 PolarHBondContact O-N 2.82Å; F68-R70 VanDerWaalsContact C-N 3.3Å; F68-R70 PolarHBondContact O-N 3.29Å; R70-V72 PolarHBondContact O-N 2.89Å; R70-R73 PolarHBondContact O-N 3.42Å; R70-R73 VanDerWaalsContact O-N 3.14Å; R70-E74 WeakPolarHBondContact O-CB 3.28Å; R70-E74 PolarHBondContact O-N 3.48Å
71	L	95.8	Very high	94.2	Very high	83 Å²	83	97.8 Å²	97.8	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-60.6	-44.1	177	-180	65.1	0	0	0	112.1	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 3.23Å; P67-L71 VanDerWaalsContact O-N 3.13Å; F68-L71 PolarHBondContact O-N 2.96Å; L71-R73 PolarHBondContact O-N 3.2Å; L71-E74 WeakPolarHBondContact O-CB 3.49Å; L71-E74 PolarHBondContact O-N 3.37Å; L71-E74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CD1-CD1 4.04Å; L71-I75 HydrophobicContact CD1-CG1 4.15Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 HydrophobicContact CG-CG1 4.47Å; L71-I75 WeakPolarHBondContact O-CG1 3.25Å; L71-I75 PolarHBondContact O-N 3.32Å; L71-I75 VanDerWaalsContact O-N 3.11Å
72	V	94.8	Very high	93.8	Very high	16 Å²	16	102 Å²	102	10%	0.097	48%	0.484	C	S	.	.	H	α-helix	trans	-61.7	-30.3	177.2	168.6	0	0	0	0	112.3	F68 R70 P76 F85 V90 L93	F68-V72 HydrophobicContact CD1-CG2 3.83Å; F68-V72 HydrophobicContact CE1-CG2 3.39Å; F68-V72 HydrophobicContact CE2-CG2 4.41Å; F68-V72 HydrophobicContact CG-CG2 4.49Å; F68-V72 HydrophobicContact CZ-CG2 3.72Å; F68-V72 WeakPolarHBondContact O-CG2 3.45Å; F68-V72 PolarHBondContact O-N 3.32Å; R70-V72 PolarHBondContact O-N 2.89Å; V72-P76 WeakPolarHBondContact O-CD 3.3Å; V72-P76 VanDerWaalsContact O-CG 3.23Å; V72-P76 WeakPolarHBondContact O-CG 3.42Å; V72-F85 HydrophobicContact CG1-CD1 4.22Å; V72-F85 HydrophobicContact CG1-CE1 4.1Å; V72-V90 HydrophobicContact CG1-CG2 4.43Å; V72-L93 HydrophobicContact CG1-CD1 3.6Å; V72-L93 HydrophobicContact CG2-CD1 4.3Å
73	R	93.5	Very high	93.5	Very high	97 Å²	97	100.6 Å²	100.6	37%	0.366	48%	0.477	S	S	.	.	H	α-helix	trans	-83.7	-25.6	175.8	-70.5	-178.8	179.9	-70.8	0.3	113.1	Q69 R70 L71 F85	Q69-R73 WeakPolarHBondContact O-CG 3.3Å; Q69-R73 PolarHBondContact O-N 2.85Å; Q69-R73 VanDerWaalsContact O-N 3.14Å; R70-R73 PolarHBondContact O-N 3.42Å; R70-R73 VanDerWaalsContact O-N 3.14Å; L71-R73 PolarHBondContact O-N 3.2Å; R73-F85 HydrophobicContact CG-CD2 4.27Å
74	E	94.1	Very high	93.3	Very high	132 Å²	132	109.3 Å²	109.3	62%	0.617	51%	0.506	S	S	*	.	H	α-helix	trans	-73	-54.3	178.8	-176.1	-175.8	153.9	0	0	112	R70 L71 Q77	R70-E74 WeakPolarHBondContact O-CB 3.28Å; R70-E74 PolarHBondContact O-N 3.48Å; L71-E74 WeakPolarHBondContact O-CB 3.49Å; L71-E74 PolarHBondContact O-N 3.37Å; L71-E74 VanDerWaalsContact O-N 3.12Å; E74-Q77 WeakPolarHBondContact O-CB 3.48Å; E74-Q77 PolarHBondContact O-N 3.46Å; E74-Q77 VanDerWaalsContact O-N 3.08Å
75	I	93.1	Very high	93.2	Very high	94 Å²	94	102.2 Å²	102.2	48%	0.482	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-51.1	-49.9	-176.4	-64.8	165.9	0	0	0	114.4	L71 Q77 F79	L71-I75 HydrophobicContact CD1-CD1 4.04Å; L71-I75 HydrophobicContact CD1-CG1 4.15Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 HydrophobicContact CG-CG1 4.47Å; L71-I75 WeakPolarHBondContact O-CG1 3.25Å; L71-I75 PolarHBondContact O-N 3.32Å; L71-I75 VanDerWaalsContact O-N 3.11Å; I75-Q77 PolarHBondContact O-N 3.01Å; I75-F79 WeakPolarHBondContact O-CD2 3.33Å; I75-F79 WeakPolarHBondContact O-CE2 3.31Å
76	P	93.4	Very high	93.3	Very high	25 Å²	25	100.8 Å²	100.8	16%	0.162	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-77.1	-11.9	-175.2	35	-40.4	0	0	0	112.9	V72 D78 F79 K80 L83 F85	V72-P76 WeakPolarHBondContact O-CD 3.3Å; V72-P76 VanDerWaalsContact O-CG 3.23Å; V72-P76 WeakPolarHBondContact O-CG 3.42Å; P76-D78 PolarHBondContact O-N 2.88Å; P76-F79 PolarHBondContact O-N 3.33Å; P76-K80 PolarHBondContact O-N 3.5Å; P76-L83 HydrophobicContact CB-CD1 3.7Å; P76-L83 HydrophobicContact CG-CD1 4.32Å; P76-F85 HydrophobicContact CB-CZ 4.35Å; P76-F85 HydrophobicContact CG-CE2 3.97Å; P76-F85 HydrophobicContact CG-CZ 3.7Å
77	Q	90.5	Very high	93.2	Very high	103 Å²	103	102.2 Å²	102.2	48%	0.481	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-60.3	-29.6	178.4	-167.9	71.3	19.5	0	0	111.4	E74 I75 F79	E74-Q77 WeakPolarHBondContact O-CB 3.48Å; E74-Q77 PolarHBondContact O-N 3.46Å; E74-Q77 VanDerWaalsContact O-N 3.08Å; I75-Q77 PolarHBondContact O-N 3.01Å; Q77-F79 VanDerWaalsContact C-N 3.26Å; Q77-F79 PolarHBondContact O-N 3.45Å
78	D	89.1	Confident	93.1	Very high	147 Å²	147	102.1 Å²	102.1	79%	0.786	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-70.9	-19.7	175.8	-65.3	-23	0	0	0	113.3	P76	P76-D78 PolarHBondContact O-N 2.88Å
79	F	91.2	Very high	93.1	Very high	174 Å²	174	103.1 Å²	103.1	76%	0.763	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-40.6	-177.5	-59.2	-92	0	0	0	112	I75 P76 Q77	I75-F79 WeakPolarHBondContact O-CD2 3.33Å; I75-F79 WeakPolarHBondContact O-CE2 3.31Å; P76-F79 PolarHBondContact O-N 3.33Å; Q77-F79 VanDerWaalsContact C-N 3.26Å; Q77-F79 PolarHBondContact O-N 3.45Å
80	K	90.8	Very high	93.1	Very high	138 Å²	138	101 Å²	101	60%	0.6	49%	0.489	S	S	*	.			trans	-154.7	119.2	179.6	-179.5	162.7	179.7	165.4	0	110.6	P76 L83	P76-K80 PolarHBondContact O-N 3.5Å; K80-L83 HydrophobicContact CB-CD1 4.04Å; K80-L83 HydrophobicContact CB-CD2 4.44Å; K80-L83 HydrophobicContact CB-CG 4.17Å; K80-L83 HydrophobicContact CD-CD2 4Å; K80-L83 HydrophobicContact CG-CD2 4.09Å; K80-L83 HydrophobicContact CG-CG 4.13Å; K80-L83 WeakPolarHBondContact O-CD1 3.34Å; K80-L83 WeakPolarHBondContact O-CG 3.48Å
81	A	88	Confident	93.1	Very high	57 Å²	57	95.5 Å²	95.5	47%	0.471	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	154.6	172	0	0	0	0	0	111.7	L83	A81-L83 PolarHBondContact O-N 3.44Å
82	D	87.4	Confident	93.2	Very high	146 Å²	146	94.2 Å²	94.2	78%	0.781	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	30.9	171.6	-55.6	-39.4	0	0	0	116.3	R84	D82-R84 PolarHBondContact O-N 2.98Å
83	L	92.3	Very high	93.3	Very high	66 Å²	66	97.1 Å²	97.1	35%	0.346	49%	0.488	S	S	.	.			trans	-70.9	128.6	173.8	-71.9	171.4	0	0	0	112.6	P76 K80 A81 F85	P76-L83 HydrophobicContact CB-CD1 3.7Å; P76-L83 HydrophobicContact CG-CD1 4.32Å; K80-L83 HydrophobicContact CB-CD1 4.04Å; K80-L83 HydrophobicContact CB-CD2 4.44Å; K80-L83 HydrophobicContact CB-CG 4.17Å; K80-L83 HydrophobicContact CD-CD2 4Å; K80-L83 HydrophobicContact CG-CD2 4.09Å; K80-L83 HydrophobicContact CG-CG 4.13Å; K80-L83 WeakPolarHBondContact O-CD1 3.34Å; K80-L83 WeakPolarHBondContact O-CG 3.48Å; A81-L83 PolarHBondContact O-N 3.44Å; L83-F85 HydrophobicContact CB-CE2 3.89Å; L83-F85 HydrophobicContact CB-CZ 4.48Å
84	R	93.3	Very high	93.5	Very high	244 Å²	244	92.6 Å²	92.6	92%	0.921	47%	0.471	S	S	*	.			trans	-97.2	134.7	170.9	-65.5	-176	177.9	-172.8	-0.3	109.8	D82	D82-R84 PolarHBondContact O-N 2.98Å
85	F	93.5	Very high	93.7	Very high	54 Å²	54	92 Å²	92	24%	0.237	47%	0.468	C	S	.	.			trans	-111.2	130.7	178.4	-73.6	-93.5	0	0	0	109.8	V72 R73 P76 L83 V90	V72-F85 HydrophobicContact CG1-CD1 4.22Å; V72-F85 HydrophobicContact CG1-CE1 4.1Å; R73-F85 HydrophobicContact CG-CD2 4.27Å; P76-F85 HydrophobicContact CB-CZ 4.35Å; P76-F85 HydrophobicContact CG-CE2 3.97Å; P76-F85 HydrophobicContact CG-CZ 3.7Å; L83-F85 HydrophobicContact CB-CE2 3.89Å; L83-F85 HydrophobicContact CB-CZ 4.48Å; F85-V90 HydrophobicContact CB-CG2 3.91Å; F85-V90 HydrophobicContact CG-CG2 4.47Å
86	Q	96.1	Very high	93.9	Very high	142 Å²	142	90.4 Å²	90.4	66%	0.664	47%	0.469	S	S	*	.			trans	-64.8	149.8	163.6	-68.2	-178.3	-35.4	0	0	109.7	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.47Å; Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.4Å; Q86-V90 PolarHBondContact O-N 3.46Å
87	M	93.6	Very high	94.1	Very high	124 Å²	124	91.7 Å²	91.7	61%	0.611	48%	0.476	S	S	*	.	H	α-helix	trans	-62.1	-39.9	176.3	-175	59.5	70.3	0	0	111.6	A89 V90 L91	M87-A89 VanDerWaalsContact C-N 3.31Å; M87-A89 PolarHBondContact O-N 3.03Å; M87-V90 PolarHBondContact O-N 2.96Å; M87-L91 HydrophobicContact CG-CD1 4.39Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 3.5Å; M87-L91 VanDerWaalsContact O-N 3.08Å
88	S	96.6	Very high	94.5	Very high	72 Å²	72	87.7 Å²	87.7	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-59.7	-38.5	174.9	49	0	0	0	0	112.6	Q86 L91 A92	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.47Å; S88-L91 PolarHBondContact O-N 2.95Å; S88-A92 WeakPolarHBondContact O-CB 3.28Å; S88-A92 PolarHBondContact O-N 2.87Å
89	A	96.4	Very high	94.9	Very high	35 Å²	35	83.9 Å²	83.9	29%	0.289	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-42.4	178	0	0	0	0	0	111.9	Q86 M87 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.4Å; M87-A89 VanDerWaalsContact C-N 3.31Å; M87-A89 PolarHBondContact O-N 3.03Å; A89-A92 PolarHBondContact O-N 3.44Å; A89-L93 VanDerWaalsContact O-CG 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.39Å; A89-L93 PolarHBondContact O-N 2.99Å
90	V	96	Very high	95.2	Very high	6 Å²	6	80.2 Å²	80.2	4%	0.036	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-40.6	176.4	-178.2	0	0	0	0	111.1	F68 Q69 V72 F85 Q86 M87 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.28Å; F68-V90 HydrophobicContact CE1-CG1 4.49Å; Q69-V90 HydrophobicContact CB-CG1 4.17Å; Q69-V90 HydrophobicContact CG-CG1 4.22Å; V72-V90 HydrophobicContact CG1-CG2 4.43Å; F85-V90 HydrophobicContact CB-CG2 3.91Å; F85-V90 HydrophobicContact CG-CG2 4.47Å; Q86-V90 PolarHBondContact O-N 3.46Å; M87-V90 PolarHBondContact O-N 2.96Å; V90-L93 PolarHBondContact O-N 2.89Å; V90-Q94 PolarHBondContact O-N 3.29Å
91	L	96.5	Very high	95.5	Very high	51 Å²	51	76.5 Å²	76.5	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-44.5	176.7	-70.2	173.7	0	0	0	112.1	M87 S88 L93 Q94 E95	M87-L91 HydrophobicContact CG-CD1 4.39Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 3.5Å; M87-L91 VanDerWaalsContact O-N 3.08Å; S88-L91 PolarHBondContact O-N 2.95Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.46Å; L91-Q94 WeakPolarHBondContact O-CB 3.28Å; L91-Q94 PolarHBondContact O-N 2.67Å; L91-E95 PolarHBondContact O-N 3.49Å
92	A	97.5	Very high	96	Very high	55 Å²	55	77.3 Å²	77.3	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-42	177.1	0	0	0	0	0	111.9	S88 A89 Q94 E95 A96	S88-A92 WeakPolarHBondContact O-CB 3.28Å; S88-A92 PolarHBondContact O-N 2.87Å; A89-A92 PolarHBondContact O-N 3.44Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.38Å; A92-E95 PolarHBondContact O-N 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.3Å; A92-A96 PolarHBondContact O-N 3.22Å
93	L	97.3	Very high	96.4	Very high	78 Å²	78	71.2 Å²	71.2	41%	0.408	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-39	173	-73	170.6	0	0	0	111.6	F68 V72 A89 V90 L91 T97	F68-L93 HydrophobicContact CE1-CB 4.14Å; F68-L93 HydrophobicContact CZ-CB 4.21Å; V72-L93 HydrophobicContact CG1-CD1 3.6Å; V72-L93 HydrophobicContact CG2-CD1 4.3Å; A89-L93 VanDerWaalsContact O-CG 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.39Å; A89-L93 PolarHBondContact O-N 2.99Å; V90-L93 PolarHBondContact O-N 2.89Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.46Å; L93-T97 VanDerWaalsContact O-CB 3.25Å; L93-T97 WeakPolarHBondContact O-CB 3.38Å; L93-T97 PolarHBondContact O-N 3.11Å; L93-T97 PolarHBondContact O-OG1 2.89Å
94	Q	97.6	Very high	96.7	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-67.1	-49.4	179.3	-168.2	173.1	-15.7	0	0	111.6	L61 I63 F68 V90 L91 A92 A96 T97 E98	L61-Q94 HydrophobicContact CD1-CG 4.11Å; L61-Q94 HydrophobicContact CD2-CG 4.4Å; I63-Q94 PolarHBondContact O-NE2 2.91Å; F68-Q94 HydrophobicContact CD1-CB 3.72Å; F68-Q94 HydrophobicContact CD1-CG 3.9Å; F68-Q94 HydrophobicContact CD2-CG 4.45Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 3.99Å; F68-Q94 HydrophobicContact CG-CB 4.44Å; F68-Q94 HydrophobicContact CG-CG 4.16Å; F68-Q94 VanDerWaalsContact CZ-CA 3.42Å; F68-Q94 HydrophobicContact CZ-CB 3.94Å; F68-Q94 HydrophobicContact CZ-CG 4.32Å; V90-Q94 PolarHBondContact O-N 3.29Å; L91-Q94 WeakPolarHBondContact O-CB 3.28Å; L91-Q94 PolarHBondContact O-N 2.67Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.38Å; Q94-A96 PolarHBondContact O-N 3.34Å; Q94-T97 PolarHBondContact O-N 3.47Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.12Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 3.42Å
95	E	97.6	Very high	96.9	Very high	119 Å²	119	62 Å²	62	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-57.3	-48	177.4	-75.2	178.9	-169.7	0	0	111.5	L61 L91 A92 T97 E98 A99	L61-E95 HydrophobicContact CD1-CG 4.45Å; L61-E95 HydrophobicContact CD2-CG 4.03Å; L91-E95 PolarHBondContact O-N 3.49Å; A92-E95 PolarHBondContact O-N 3.28Å; E95-T97 PolarHBondContact O-N 3.36Å; E95-E98 PolarHBondContact O-N 3.29Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.5Å; E95-A99 PolarHBondContact O-N 3.04Å
96	A	97.9	Very high	97.1	Very high	62 Å²	62	65 Å²	65	51%	0.512	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-41.9	178.3	0	0	0	0	0	112.4	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.3Å; A92-A96 PolarHBondContact O-N 3.22Å; Q94-A96 PolarHBondContact O-N 3.34Å; A96-Y100 VanDerWaalsContact O-CB 3.3Å; A96-Y100 WeakPolarHBondContact O-CB 3.06Å; A96-Y100 PolarHBondContact O-N 3.2Å
97	T	97.9	Very high	97.2	Very high	51 Å²	51	60.8 Å²	60.8	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-46.3	-179.9	-58.9	0	0	0	0	111.3	F68 L93 Q94 E95 Y100 L101	F68-T97 HydrophobicContact CE2-CG2 4.12Å; L93-T97 VanDerWaalsContact O-CB 3.25Å; L93-T97 WeakPolarHBondContact O-CB 3.38Å; L93-T97 PolarHBondContact O-N 3.11Å; L93-T97 PolarHBondContact O-OG1 2.89Å; Q94-T97 PolarHBondContact O-N 3.47Å; E95-T97 PolarHBondContact O-N 3.36Å; T97-Y100 PolarHBondContact O-N 2.97Å; T97-L101 HydrophobicContact CG2-CD1 4.11Å; T97-L101 HydrophobicContact CG2-CG 4.45Å; T97-L101 WeakPolarHBondContact O-CB 3.43Å; T97-L101 VanDerWaalsContact O-CG 3.32Å; T97-L101 WeakPolarHBondContact O-CG 3.25Å; T97-L101 PolarHBondContact O-N 3.16Å
98	E	98.1	Very high	97.4	Very high	19 Å²	19	54.9 Å²	54.9	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-42.2	179.2	-70.4	-167.7	-151.8	0	0	111.6	L61 L62 I63 Q94 E95 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.35Å; L61-E98 HydrophobicContact CD2-CG 4.49Å; L62-E98 PolarHBondContact N-OE1 2.74Å; L62-E98 PolarHBondContact N-OE2 3.33Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.49Å; I63-E98 HydrophobicContact CD1-CG 3.74Å; I63-E98 HydrophobicContact CG1-CG 3.93Å; I63-E98 PolarHBondContact N-OE1 2.93Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.12Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 3.42Å; E95-E98 PolarHBondContact O-N 3.29Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 3.33Å; E98-L101 PolarHBondContact O-N 3.41Å; E98-V102 WeakPolarHBondContact O-CB 3.3Å; E98-V102 VanDerWaalsContact O-CG2 3.28Å; E98-V102 WeakPolarHBondContact O-CG2 3.09Å; E98-V102 PolarHBondContact O-N 3.2Å
99	A	97.6	Very high	97.5	Very high	67 Å²	67	54.7 Å²	54.7	55%	0.554	31%	0.311	S	S	*	.	H	α-helix	trans	-59.3	-44.8	174.6	0	0	0	0	0	111.9	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.5Å; E95-A99 PolarHBondContact O-N 3.04Å; A99-V102 PolarHBondContact O-N 3.42Å; A99-G103 PolarHBondContact O-N 3.08Å
100	Y	97.3	Very high	97.5	Very high	97 Å²	97	58.3 Å²	58.3	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-46.6	176.3	170.6	-95.7	0	0	0	112.2	A96 T97 E98 G103 L104 E134	A96-Y100 VanDerWaalsContact O-CB 3.3Å; A96-Y100 WeakPolarHBondContact O-CB 3.06Å; A96-Y100 PolarHBondContact O-N 3.2Å; T97-Y100 PolarHBondContact O-N 2.97Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 3.33Å; Y100-G103 PolarHBondContact O-N 3.29Å; Y100-L104 HydrophobicContact CE1-CD2 4.21Å; Y100-L104 WeakPolarHBondContact O-CB 3.32Å; Y100-L104 PolarHBondContact O-N 3.17Å; Y100-E134 VanDerWaalsContact CE2-OE1 3.3Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.45Å; Y100-E134 VanDerWaalsContact OH-CD 3.24Å; Y100-E134 PolarHBondContact OH-OE1 2.96Å; Y100-E134 PolarHBondContact OH-OE2 2.97Å
101	L	97.6	Very high	97.6	Very high	61 Å²	61	58.9 Å²	58.9	32%	0.319	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-42	179.6	-72.2	176.8	0	0	0	111.9	I63 T97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.36Å; T97-L101 HydrophobicContact CG2-CD1 4.11Å; T97-L101 HydrophobicContact CG2-CG 4.45Å; T97-L101 WeakPolarHBondContact O-CB 3.43Å; T97-L101 VanDerWaalsContact O-CG 3.32Å; T97-L101 WeakPolarHBondContact O-CG 3.25Å; T97-L101 PolarHBondContact O-N 3.16Å; E98-L101 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 3.46Å; L101-F105 HydrophobicContact CB-CE2 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 2.89Å
102	V	97.6	Very high	97.7	Very high	74 Å²	74	56.4 Å²	56.4	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-50.9	175.3	170.3	0	0	0	0	110.2	E98 A99 L104 F105 E106	E98-V102 WeakPolarHBondContact O-CB 3.3Å; E98-V102 VanDerWaalsContact O-CG2 3.28Å; E98-V102 WeakPolarHBondContact O-CG2 3.09Å; E98-V102 PolarHBondContact O-N 3.2Å; A99-V102 PolarHBondContact O-N 3.42Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 3.33Å; V102-F105 PolarHBondContact O-N 3.06Å; V102-F105 VanDerWaalsContact O-N 3.11Å; V102-E106 WeakPolarHBondContact O-CG 3.32Å; V102-E106 PolarHBondContact O-N 3.44Å
103	G	97	Very high	97.7	Very high	18 Å²	18	58.3 Å²	58.3	19%	0.186	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-40.8	176.9	0	0	0	0	0	112.5	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.08Å; Y100-G103 PolarHBondContact O-N 3.29Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.67Å; G103-E106 WeakPolarHBondContact O-CB 3.34Å; G103-E106 PolarHBondContact O-N 3.03Å; G103-D107 PolarHBondContact O-N 2.88Å; G103-R132 PolarHBondContact O-NH2 2.92Å
104	L	97.3	Very high	97.8	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-38.1	176.3	179.7	61.9	0	0	0	111.9	Y100 L101 V102 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.21Å; Y100-L104 WeakPolarHBondContact O-CB 3.32Å; Y100-L104 PolarHBondContact O-N 3.17Å; L101-L104 PolarHBondContact O-N 3.46Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 3.33Å; L104-D107 PolarHBondContact O-N 3Å; L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.41Å; L104-T108 PolarHBondContact O-N 3.46Å; L104-T108 PolarHBondContact O-OG1 3.3Å; L104-I125 HydrophobicContact CD2-CG2 4.16Å; L104-A128 HydrophobicContact CD1-CB 4.14Å; L104-R129 HydrophobicContact CD1-CG 3.71Å; L104-R129 HydrophobicContact CD2-CG 4.43Å
105	F	98.1	Very high	97.8	Very high	102 Å²	102	64.7 Å²	64.7	45%	0.447	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-31.7	175.8	-79.2	-58	0	0	0	113	L101 V102 G103 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 2.89Å; V102-F105 PolarHBondContact O-N 3.06Å; V102-F105 VanDerWaalsContact O-N 3.11Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.67Å; F105-N109 VanDerWaalsContact O-CB 3.25Å; F105-N109 WeakPolarHBondContact O-CB 3.48Å; F105-N109 PolarHBondContact O-N 2.96Å; F105-I120 HydrophobicContact CD1-CD1 3.8Å; F105-I120 HydrophobicContact CE1-CD1 3.85Å
106	E	97.7	Very high	97.8	Very high	118 Å²	118	70.5 Å²	70.5	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-61	-50.8	172.2	-70.5	177.4	179.9	0	0	110.9	V102 G103 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.32Å; V102-E106 PolarHBondContact O-N 3.44Å; G103-E106 WeakPolarHBondContact O-CB 3.34Å; G103-E106 PolarHBondContact O-N 3.03Å; E106-T108 PolarHBondContact O-N 2.74Å; E106-N109 WeakPolarHBondContact O-CB 3.3Å; E106-N109 PolarHBondContact O-N 2.69Å; E106-L110 WeakPolarHBondContact O-CG 3.36Å; E106-L110 PolarHBondContact O-N 2.92Å
107	D	97.7	Very high	97.8	Very high	52 Å²	52	69.9 Å²	69.9	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-42.3	177.2	-70.5	-14	0	0	0	112	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 2.88Å; L104-D107 PolarHBondContact O-N 3Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 3.49Å; D107-L110 WeakPolarHBondContact O-CB 3.36Å; D107-L110 PolarHBondContact O-N 3.27Å; D107-L110 VanDerWaalsContact O-N 3.12Å; D107-C111 PolarHBondContact O-N 2.78Å; D107-C111 PolarHBondContact O-SG 3.48Å; D107-C111 VanDerWaalsContact O-SG 3.42Å; D107-A128 HydrophobicContact CB-CB 3.88Å; D107-R132 IonicContact OD2-CZ 3.33Å; D107-R132 IonicContact OD2-NE 3.48Å; D107-R132 PolarHBondContact OD2-NE 2.98Å; D107-R132 IonicContact OD2-NH2 3.58Å; D107-R132 PolarHBondContact OD2-NH2 3.48Å
108	T	98.2	Very high	97.7	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-40.5	175.9	-60.5	0	0	0	0	111	L104 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.41Å; L104-T108 PolarHBondContact O-N 3.46Å; L104-T108 PolarHBondContact O-OG1 3.3Å; E106-T108 PolarHBondContact O-N 2.74Å; T108-C111 PolarHBondContact O-N 3.07Å; T108-A112 PolarHBondContact O-N 3.49Å; T108-I120 HydrophobicContact CG2-CB 3.87Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; T108-D124 HydrophobicContact CG2-CB 3.61Å; T108-I125 HydrophobicContact CG2-CG1 3.56Å
109	N	98.1	Very high	97.7	Very high	69 Å²	69	77.4 Å²	77.4	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-40.6	176.6	-175.7	51.1	0	0	0	111.4	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.25Å; F105-N109 WeakPolarHBondContact O-CB 3.48Å; F105-N109 PolarHBondContact O-N 2.96Å; E106-N109 WeakPolarHBondContact O-CB 3.3Å; E106-N109 PolarHBondContact O-N 2.69Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 3.49Å; N109-C111 VanDerWaalsContact C-N 3.34Å; N109-C111 PolarHBondContact O-N 2.91Å; N109-A112 PolarHBondContact O-N 3.16Å; N109-I113 VanDerWaalsContact O-CG1 3.3Å; N109-I113 WeakPolarHBondContact O-CG1 3.23Å; N109-I113 PolarHBondContact O-N 3.35Å; N109-I120 HydrophobicContact CB-CG2 4.47Å
110	L	98	Very high	97.8	Very high	111 Å²	111	77.5 Å²	77.5	58%	0.581	39%	0.392	S	S	*	.	H	α-helix	trans	-60.6	-42.1	172.8	-64.9	176.7	0	0	0	111.8	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.36Å; E106-L110 PolarHBondContact O-N 2.92Å; D107-L110 WeakPolarHBondContact O-CB 3.36Å; D107-L110 PolarHBondContact O-N 3.27Å; D107-L110 VanDerWaalsContact O-N 3.12Å; L110-A112 PolarHBondContact O-N 3.43Å; L110-I113 PolarHBondContact O-N 3.35Å; L110-H114 WeakPolarHBondContact O-CB 3.36Å; L110-H114 PolarHBondContact O-N 3.24Å
111	C	97.8	Very high	97.8	Very high	17 Å²	17	76.9 Å²	76.9	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-40.2	174.4	-67.7	0	0	0	0	112.6	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 2.78Å; D107-C111 PolarHBondContact O-SG 3.48Å; D107-C111 VanDerWaalsContact O-SG 3.42Å; T108-C111 PolarHBondContact O-N 3.07Å; N109-C111 VanDerWaalsContact C-N 3.34Å; N109-C111 PolarHBondContact O-N 2.91Å; C111-H114 PolarHBondContact O-N 3.13Å; C111-A115 PolarHBondContact O-N 2.92Å; C111-A115 VanDerWaalsContact O-N 3.16Å; C111-D124 HydrophobicContact CB-CB 4Å; C111-L127 HydrophobicContact CB-CD2 4.2Å
112	A	98.2	Very high	97.8	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.8	-44.7	176.3	0	0	0	0	0	111.8	T108 N109 L110 A115 R116 R117 I120	T108-A112 PolarHBondContact O-N 3.49Å; N109-A112 PolarHBondContact O-N 3.16Å; L110-A112 PolarHBondContact O-N 3.43Å; A112-A115 CarbonylContact O-C 3.48Å; A112-A115 PolarHBondContact O-N 2.7Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A112-R116 PolarHBondContact O-N 3.33Å; A112-R117 CarbonylContact C-O 3.27Å; A112-R117 VanDerWaalsContact C-O 3.27Å; A112-R117 PolarHBondContact O-N 2.92Å; A112-R117 VanDerWaalsContact O-O 3.07Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
113	I	98.1	Very high	97.8	Very high	94 Å²	94	79.1 Å²	79.1	48%	0.482	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-43.3	176.7	-68.8	166.9	0	0	0	110.6	N109 L110 A115 R116 R117	N109-I113 VanDerWaalsContact O-CG1 3.3Å; N109-I113 WeakPolarHBondContact O-CG1 3.23Å; N109-I113 PolarHBondContact O-N 3.35Å; L110-I113 PolarHBondContact O-N 3.35Å; I113-A115 PolarHBondContact O-N 3.22Å; I113-R116 WeakPolarHBondContact O-CA 2.95Å; I113-R116 PolarHBondContact O-N 3.46Å; I113-R117 PolarHBondContact N-O 2.91Å
114	H	97.7	Very high	97.8	Very high	165 Å²	165	78.5 Å²	78.5	76%	0.764	40%	0.4	S	S	*	.	H	α-helix	trans	-56.5	-37.4	175.9	-177.5	74.5	0	0	0	111.9	L110 C111 R116	L110-H114 WeakPolarHBondContact O-CB 3.36Å; L110-H114 PolarHBondContact O-N 3.24Å; C111-H114 PolarHBondContact O-N 3.13Å; H114-R116 VanDerWaalsContact C-N 3.25Å; H114-R116 PolarHBondContact O-N 2.69Å
115	A	97.8	Very high	97.8	Very high	48 Å²	48	80.4 Å²	80.4	40%	0.397	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	16.8	175.3	0	0	0	0	0	114.4	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 2.92Å; C111-A115 VanDerWaalsContact O-N 3.16Å; A112-A115 CarbonylContact O-C 3.48Å; A112-A115 PolarHBondContact O-N 2.7Å; A112-A115 VanDerWaalsContact O-N 3.17Å; I113-A115 PolarHBondContact O-N 3.22Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-R117 PolarHBondContact O-N 3.26Å
116	R	97.9	Very high	97.7	Very high	242 Å²	242	82 Å²	82	91%	0.913	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	33.8	-178.9	-64.4	-177.1	-95.1	-157.6	-6.5	114.2	A112 I113 H114	A112-R116 PolarHBondContact O-N 3.33Å; I113-R116 WeakPolarHBondContact O-CA 2.95Å; I113-R116 PolarHBondContact O-N 3.46Å; H114-R116 VanDerWaalsContact C-N 3.25Å; H114-R116 PolarHBondContact O-N 2.69Å
117	R	98.1	Very high	97.6	Very high	48 Å²	48	80 Å²	80	18%	0.181	41%	0.411	C	S	.	.			trans	-119.5	155.4	175.1	-71	176.6	-71.6	106.9	-2.3	110.8	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.27Å; A112-R117 VanDerWaalsContact C-O 3.27Å; A112-R117 PolarHBondContact O-N 2.92Å; A112-R117 VanDerWaalsContact O-O 3.07Å; I113-R117 PolarHBondContact N-O 2.91Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-R117 PolarHBondContact O-N 3.26Å; R117-T119 PolarHBondContact NH1-O 3.39Å; R117-K123 VanDerWaalsContact NH2-CE 3.31Å; R117-D124 IonicContact CZ-OD1 2.69Å; R117-D124 IonicContact CZ-OD2 3.55Å; R117-D124 IonicContact NH1-OD1 3.11Å; R117-D124 PolarHBondContact NH1-OD1 3.14Å; R117-D124 IonicContact NH1-OD2 3.49Å; R117-D124 PolarHBondContact NH1-OD2 2.96Å; R117-D124 IonicContact NH2-OD1 2.7Å; R117-D124 PolarHBondContact NH2-OD1 3.12Å; R117-D124 IonicContact NH2-OD2 2.69Å; R117-D124 PolarHBondContact NH2-OD2 3.28Å
118	V	96.8	Very high	97.5	Very high	135 Å²	135	77.6 Å²	77.6	82%	0.818	40%	0.399	S	S	*	.	S	Bend	trans	-105.4	-12.7	170.5	-68.8	0	0	0	0	112.8
119	T	98.1	Very high	97.4	Very high	93 Å²	93	81.2 Å²	81.2	57%	0.571	41%	0.412	S	S	*	.	S	Bend	trans	-99.6	119.9	178.1	-51.6	0	0	0	0	108.9	R117	R117-T119 PolarHBondContact NH1-O 3.39Å
120	I	97.8	Very high	97.3	Very high	70 Å²	70	88 Å²	88	36%	0.359	43%	0.433	S	S	.	.			trans	-67.6	145	172.3	59.3	170.8	0	0	0	110.9	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.8Å; F105-I120 HydrophobicContact CE1-CD1 3.85Å; T108-I120 HydrophobicContact CG2-CB 3.87Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; N109-I120 HydrophobicContact CB-CG2 4.47Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
121	M	98.3	Very high	97.2	Very high	83 Å²	83	88.8 Å²	88.8	41%	0.409	44%	0.436	S	S	.	.			trans	-132.1	162	-178.9	-63.4	178.8	176.1	0	0	110.2	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 3.98Å; M121-K123 PolarHBondContact O-N 3Å; M121-K123 VanDerWaalsContact O-N 3.16Å; M121-K123 VanDerWaalsContact SD-CE 3.56Å; M121-D124 WeakPolarHBondContact CB-OD2 3.47Å; M121-D124 PolarHBondContact N-OD2 3.14Å; M121-D124 WeakPolarHBondContact O-CB 3.46Å; M121-D124 PolarHBondContact O-N 3.38Å; M121-I125 PolarHBondContact O-N 3.26Å
122	A	97.6	Very high	97	Very high	68 Å²	68	92.2 Å²	92.2	56%	0.562	45%	0.447	S	S	*	.	H	α-helix	trans	-55.5	-35.4	178.3	0	0	0	0	0	113.2	D124 I125 Q126	A122-D124 VanDerWaalsContact C-N 3.25Å; A122-D124 PolarHBondContact O-N 2.96Å; A122-I125 PolarHBondContact O-N 3.46Å; A122-Q126 WeakPolarHBondContact O-CG 3.5Å; A122-Q126 PolarHBondContact O-N 3.31Å
123	K	96.9	Very high	96.8	Very high	114 Å²	114	94.8 Å²	94.8	50%	0.496	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-29	175.3	65.2	179.2	-179.5	-177.8	0	113.8	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.31Å; M121-K123 HydrophobicContact CB-CG 3.98Å; M121-K123 PolarHBondContact O-N 3Å; M121-K123 VanDerWaalsContact O-N 3.16Å; M121-K123 VanDerWaalsContact SD-CE 3.56Å; K123-L127 WeakPolarHBondContact O-CB 3.35Å; K123-L127 PolarHBondContact O-N 3.22Å
124	D	97.8	Very high	96.2	Very high	5 Å²	5	92.8 Å²	92.8	3%	0.027	46%	0.462	C	S	.	.	H	α-helix	trans	-73.1	-39.4	178.9	-56.2	-39.4	0	0	0	109.7	T108 C111 R117 M121 A122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.61Å; C111-D124 HydrophobicContact CB-CB 4Å; R117-D124 IonicContact CZ-OD1 2.69Å; R117-D124 IonicContact CZ-OD2 3.55Å; R117-D124 IonicContact NH1-OD1 3.11Å; R117-D124 PolarHBondContact NH1-OD1 3.14Å; R117-D124 IonicContact NH1-OD2 3.49Å; R117-D124 PolarHBondContact NH1-OD2 2.96Å; R117-D124 IonicContact NH2-OD1 2.7Å; R117-D124 PolarHBondContact NH2-OD1 3.12Å; R117-D124 IonicContact NH2-OD2 2.69Å; R117-D124 PolarHBondContact NH2-OD2 3.28Å; M121-D124 WeakPolarHBondContact CB-OD2 3.47Å; M121-D124 PolarHBondContact N-OD2 3.14Å; M121-D124 WeakPolarHBondContact O-CB 3.46Å; M121-D124 PolarHBondContact O-N 3.38Å; A122-D124 VanDerWaalsContact C-N 3.25Å; A122-D124 PolarHBondContact O-N 2.96Å; D124-L127 PolarHBondContact O-N 3.34Å; D124-A128 WeakPolarHBondContact O-CB 3.28Å; D124-A128 PolarHBondContact O-N 3.23Å
125	I	96.8	Very high	94.7	Very high	55 Å²	55	96.2 Å²	96.2	28%	0.282	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-48	173.7	-59.9	175.1	0	0	0	109.7	L104 T108 M121 A122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.16Å; T108-I125 HydrophobicContact CG2-CG1 3.56Å; M121-I125 PolarHBondContact O-N 3.26Å; A122-I125 PolarHBondContact O-N 3.46Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.11Å; I125-A128 PolarHBondContact O-N 3.36Å; I125-R129 HydrophobicContact CG2-CG 4.31Å; I125-R129 VanDerWaalsContact O-CG 3.3Å; I125-R129 WeakPolarHBondContact O-CG 3.36Å; I125-R129 PolarHBondContact O-N 2.97Å
126	Q	96.2	Very high	92.6	Very high	135 Å²	135	102.3 Å²	102.3	63%	0.631	50%	0.5	S	S	*	.	H	α-helix	trans	-58.8	-42.3	178.2	-70.9	170.5	-9.5	0	0	111.8	A122 R130	A122-Q126 WeakPolarHBondContact O-CG 3.5Å; A122-Q126 PolarHBondContact O-N 3.31Å; Q126-R130 VanDerWaalsContact O-CB 3.28Å; Q126-R130 WeakPolarHBondContact O-CB 3.13Å; Q126-R130 PolarHBondContact O-N 2.77Å
127	L	96	Very high	92.3	Very high	75 Å²	75	95.4 Å²	95.4	39%	0.393	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-47.5	176.2	-179.8	59.9	0	0	0	111.7	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.2Å; K123-L127 WeakPolarHBondContact O-CB 3.35Å; K123-L127 PolarHBondContact O-N 3.22Å; D124-L127 PolarHBondContact O-N 3.34Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.11Å; L127-R129 PolarHBondContact O-N 3.2Å; L127-R130 PolarHBondContact O-N 3.41Å; L127-I131 HydrophobicContact CD1-CD1 3.95Å; L127-I131 HydrophobicContact CD1-CG1 4.27Å; L127-I131 HydrophobicContact CG-CD1 3.97Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.21Å
128	A	96.3	Very high	92	Very high	3 Å²	3	97.8 Å²	97.8	3%	0.025	50%	0.495	C	S	.	.	H	α-helix	trans	-58.2	-48.9	177.9	0	0	0	0	0	111.6	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.14Å; D107-A128 HydrophobicContact CB-CB 3.88Å; D124-A128 WeakPolarHBondContact O-CB 3.28Å; D124-A128 PolarHBondContact O-N 3.23Å; I125-A128 PolarHBondContact O-N 3.36Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.12Å; A128-I131 PolarHBondContact O-N 2.97Å; A128-R132 WeakPolarHBondContact O-CG 3.5Å; A128-R132 PolarHBondContact O-N 3.4Å
129	R	96	Very high	91.8	Very high	75 Å²	75	95.8 Å²	95.8	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-61.9	-39.8	177.6	-66.5	-171.7	66.9	-149.9	-9	112.5	L104 I125 L127 R132 G133 E134 V136	L104-R129 HydrophobicContact CD1-CG 3.71Å; L104-R129 HydrophobicContact CD2-CG 4.43Å; I125-R129 HydrophobicContact CG2-CG 4.31Å; I125-R129 VanDerWaalsContact O-CG 3.3Å; I125-R129 WeakPolarHBondContact O-CG 3.36Å; I125-R129 PolarHBondContact O-N 2.97Å; L127-R129 PolarHBondContact O-N 3.2Å; R129-R132 PolarHBondContact O-N 3.26Å; R129-G133 PolarHBondContact O-N 3.42Å; R129-E134 HydrophobicContact CB-CB 4.39Å; R129-E134 WeakPolarHBondContact CG-OE2 3.46Å; R129-E134 IonicContact NE-OE2 3.2Å; R129-E134 PolarHBondContact NE-OE2 3.25Å; R129-E134 PolarHBondContact O-N 3.05Å; R129-E134 VanDerWaalsContact O-N 3.12Å; R129-V136 VanDerWaalsContact CZ-CG2 3.47Å
130	R	95.5	Very high	91.4	Very high	213 Å²	213	95.9 Å²	95.9	80%	0.804	47%	0.472	S	S	*	.	H	α-helix	trans	-61.8	-42.8	175.3	-179.5	173.6	-179.8	151.2	0.8	112	Q126 L127 A128 G133	Q126-R130 VanDerWaalsContact O-CB 3.28Å; Q126-R130 WeakPolarHBondContact O-CB 3.13Å; Q126-R130 PolarHBondContact O-N 2.77Å; L127-R130 PolarHBondContact O-N 3.41Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 3.12Å; R130-G133 PolarHBondContact O-N 3.08Å
131	I	94.8	Very high	91	Very high	127 Å²	127	97.6 Å²	97.6	65%	0.651	48%	0.479	S	S	*	.	H	α-helix	trans	-68.3	-38.6	178.5	-67.3	168.4	0	0	0	111	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.95Å; L127-I131 HydrophobicContact CD1-CG1 4.27Å; L127-I131 HydrophobicContact CG-CD1 3.97Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.21Å; A128-I131 PolarHBondContact O-N 2.97Å; I131-G133 PolarHBondContact O-N 3.36Å
132	R	94.8	Very high	90.5	Very high	88 Å²	88	98.5 Å²	98.5	33%	0.332	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-16.9	175	-72.9	-177	175.2	-163.6	-6.8	114.4	G103 D107 A128 R129 E134	G103-R132 PolarHBondContact O-NH2 2.92Å; D107-R132 IonicContact OD2-CZ 3.33Å; D107-R132 IonicContact OD2-NE 3.48Å; D107-R132 PolarHBondContact OD2-NE 2.98Å; D107-R132 IonicContact OD2-NH2 3.58Å; D107-R132 PolarHBondContact OD2-NH2 3.48Å; A128-R132 WeakPolarHBondContact O-CG 3.5Å; A128-R132 PolarHBondContact O-N 3.4Å; R129-R132 PolarHBondContact O-N 3.26Å; R132-E134 VanDerWaalsContact C-N 3.29Å; R132-E134 HydrophobicContact CB-CG 3.99Å; R132-E134 WeakPolarHBondContact CD-OE1 3.44Å; R132-E134 IonicContact NH1-OE1 2.74Å; R132-E134 PolarHBondContact NH1-OE1 3.48Å
133	G	93.4	Very high	90	Very high	55 Å²	55	100.7 Å²	100.7	57%	0.567	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	13.6	-174	0	0	0	0	0	113.7	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.42Å; R130-G133 PolarHBondContact O-N 3.08Å; I131-G133 PolarHBondContact O-N 3.36Å; G133-R135 PolarHBondContact O-N 3.42Å
134	E	84.8	Confident	89.5	Confident	51 Å²	51	99.7 Å²	99.7	24%	0.238	48%	0.477	C	S	.	.			trans	-73.9	96	173.9	-67.5	170.1	-167.6	0	0	109	Y100 R129 R132 V136	Y100-E134 VanDerWaalsContact CE2-OE1 3.3Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.45Å; Y100-E134 VanDerWaalsContact OH-CD 3.24Å; Y100-E134 PolarHBondContact OH-OE1 2.96Å; Y100-E134 PolarHBondContact OH-OE2 2.97Å; R129-E134 HydrophobicContact CB-CB 4.39Å; R129-E134 WeakPolarHBondContact CG-OE2 3.46Å; R129-E134 IonicContact NE-OE2 3.2Å; R129-E134 PolarHBondContact NE-OE2 3.25Å; R129-E134 PolarHBondContact O-N 3.05Å; R129-E134 VanDerWaalsContact O-N 3.12Å; R132-E134 VanDerWaalsContact C-N 3.29Å; R132-E134 HydrophobicContact CB-CG 3.99Å; R132-E134 WeakPolarHBondContact CD-OE1 3.44Å; R132-E134 IonicContact NH1-OE1 2.74Å; R132-E134 PolarHBondContact NH1-OE1 3.48Å; E134-V136 PolarHBondContact O-N 3.38Å
135	R	67.5	Low	88.8	Confident	238 Å²	238	107.6 Å²	107.6	90%	0.898	51%	0.514	S	S	*	.			trans	-68.1	125.1	175	-63.1	-177.4	-179.1	-175	-0.2	109.3	G133	G133-R135 PolarHBondContact O-N 3.42Å
136	V	53.1	Low	88	Confident	176 Å²	176	112.4 Å²	112.4	100%	1.067	54%	0.535	S	S	*	.			trans	-87.3	0	143.7	-173.7	0	0	0	0	106.3	R129 E134	R129-V136 VanDerWaalsContact CZ-CG2 3.47Å; E134-V136 PolarHBondContact O-N 3.38Å

Retrieved 136 of 136 residues in 43.6 ms (Link to these results)

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