A0A087YSG0_POEFO Loading...

Histone H3

AlphaFold DB (A0A4W2EUA4), UniProt , Accession A0A087YSG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 aa.

						>A0A087YSG0_POEFO|A0A087YSG0
MARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSSAVMALQEASEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.5	Very low	59.7	Low	249 Å²	249	170.5 Å²	170.5	100%	1.227	88%	0.877	S	S	*	*				0	114.1	0	-74.7	-179.1	173.7	0	0	108.9
2	A	52.1	Low	60	Low	99 Å²	99	166 Å²	166	82%	0.818	86%	0.863	S	S	*	*			trans	-81.3	120.9	-175.2	0	0	0	0	0	110.8	T4	A2-T4 PolarHBondContact O-N 3.27Å; A2-T4 VanDerWaalsContact O-N 3.14Å
3	R	56.4	Low	60.2	Low	245 Å²	245	160.5 Å²	160.5	93%	0.925	87%	0.872	S	S	*	*			trans	-73.9	99.7	-179.4	-165.5	179.3	-172.1	-177.4	3.4	109.5	K5	R3-K5 PolarHBondContact O-N 3.36Å
4	T	62.6	Low	60.5	Low	125 Å²	125	153.8 Å²	153.8	77%	0.767	86%	0.859	S	S	*	*			trans	-71	109.3	172	39.1	0	0	0	0	109.5	A2 Q6	A2-T4 PolarHBondContact O-N 3.27Å; A2-T4 VanDerWaalsContact O-N 3.14Å; T4-Q6 PolarHBondContact O-N 3.34Å
5	K	63.7	Low	60.8	Low	198 Å²	198	157.1 Å²	157.1	86%	0.861	86%	0.86	S	S	*	*			trans	-75.5	90.2	175.2	-148.2	178.1	-171	179.8	0	107.9	R3 T7	R3-K5 PolarHBondContact O-N 3.36Å; K5-T7 PolarHBondContact O-N 3.03Å; K5-T7 VanDerWaalsContact O-N 3.13Å
6	Q	62	Low	60.9	Low	185 Å²	185	152.6 Å²	152.6	86%	0.864	85%	0.851	S	S	*	*			trans	-66.5	108.5	171.1	-83.2	-176.2	-10.3	0	0	109.1	T4	T4-Q6 PolarHBondContact O-N 3.34Å
7	T	65.3	Low	60.9	Low	121 Å²	121	151.8 Å²	151.8	74%	0.742	85%	0.854	S	S	*	*			trans	-82.2	117.5	167	52.9	0	0	0	0	108.6	K5 R9	K5-T7 PolarHBondContact O-N 3.03Å; K5-T7 VanDerWaalsContact O-N 3.13Å; T7-R9 PolarHBondContact O-N 3.29Å
8	A	61.7	Low	61	Low	106 Å²	106	156.7 Å²	156.7	88%	0.876	86%	0.857	S	S	*	*			trans	-60.7	106.2	174.8	0	0	0	0	0	110.2
9	R	63.8	Low	60.9	Low	236 Å²	236	158.7 Å²	158.7	89%	0.891	86%	0.856	S	S	*	*			trans	-89.8	113.9	169.8	-172.7	176.4	174.9	-177.1	-2.1	107.8	T7 S11	T7-R9 PolarHBondContact O-N 3.29Å; R9-S11 PolarHBondContact O-N 3.05Å
10	K	59.6	Low	61	Low	190 Å²	190	160.5 Å²	160.5	83%	0.826	86%	0.859	S	S	*	*			trans	-56	132.5	172.3	-73.1	-177.5	176.3	-179	0	109.6	T12	K10-T12 PolarHBondContact O-N 3.38Å
11	S	61.9	Low	61.1	Low	122 Å²	122	160.3 Å²	160.3	85%	0.853	86%	0.857	S	S	*	*	S	Bend	trans	-77.6	1.8	-175.2	53	0	0	0	0	114.6	R9	R9-S11 PolarHBondContact O-N 3.05Å
12	T	64	Low	61.7	Low	116 Å²	116	153.3 Å²	153.3	71%	0.712	84%	0.839	S	S	*	*			trans	-120.4	101.2	176.3	47.9	0	0	0	0	110.1	K10 G14	K10-T12 PolarHBondContact O-N 3.38Å; T12-G14 PolarHBondContact O-N 3.45Å
13	G	61.7	Low	62	Low	94 Å²	94	155.5 Å²	155.5	97%	0.969	84%	0.842	S	S	*	*			trans	-70.2	95.2	170.3	0	0	0	0	0	110.4
14	G	64.8	Low	62.3	Low	67 Å²	67	153.2 Å²	153.2	69%	0.691	84%	0.839	S	S	*	*			trans	-135.3	133.7	173.5	0	0	0	0	0	110.4	T12	T12-G14 PolarHBondContact O-N 3.45Å
15	K	64.3	Low	62.3	Low	203 Å²	203	152 Å²	152	88%	0.883	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-47.6	145.1	-177.4	-89	174.7	169.2	178	0	113.1
16	A	63.1	Low	62	Low	86 Å²	86	147 Å²	147	71%	0.711	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-57.1	146.5	170.9	0	0	0	0	0	111.9	R18	A16-R18 PolarHBondContact O-N 3.34Å
17	P	60.9	Low	62	Low	139 Å²	139	149 Å²	149	90%	0.903	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.5	127.3	-178.8	-4.2	17.7	0	0	0	109.7
18	R	63.1	Low	61.7	Low	240 Å²	240	153.2 Å²	153.2	91%	0.906	85%	0.845	S	S	*	*			trans	-111.3	134.3	179.5	-149.9	177.2	-170.6	179.4	2.6	109.9	A16	A16-R18 PolarHBondContact O-N 3.34Å
19	K	59.1	Low	61.4	Low	194 Å²	194	153.5 Å²	153.5	84%	0.843	84%	0.84	S	S	*	*			trans	-53.8	131.9	174.2	-148	175	-174.6	-179	0	109.9	L21	K19-L21 PolarHBondContact O-N 3Å; K19-L21 VanDerWaalsContact O-N 3.15Å
20	Q	63.5	Low	61.4	Low	195 Å²	195	145.5 Å²	145.5	91%	0.911	83%	0.825	S	S	*	*			trans	-65	111.1	-178.2	-83.5	179	-7.4	0	0	110.7
21	L	62.5	Low	61.3	Low	156 Å²	156	141.5 Å²	141.5	82%	0.817	82%	0.818	S	S	*	*			trans	-132.3	137.8	165.3	-83.3	158.8	0	0	0	106.9	K19 T23	K19-L21 PolarHBondContact O-N 3Å; K19-L21 VanDerWaalsContact O-N 3.15Å; L21-T23 PolarHBondContact O-N 3.13Å
22	A	60.7	Low	61.4	Low	102 Å²	102	140.9 Å²	140.9	84%	0.843	82%	0.82	S	S	*	*			trans	-35.4	127.1	-166.2	0	0	0	0	0	115.2	K24	A22-K24 VanDerWaalsContact C-N 3.33Å; A22-K24 PolarHBondContact O-N 3.22Å
23	T	58.2	Low	61.3	Low	146 Å²	146	141.4 Å²	141.4	90%	0.896	82%	0.823	S	S	*	*			trans	-74.1	80.1	180	44.6	0	0	0	0	111.5	L21 A25	L21-T23 PolarHBondContact O-N 3.13Å; T23-A25 PolarHBondContact O-N 3.05Å
24	K	62.8	Low	61.4	Low	197 Å²	197	139.9 Å²	139.9	86%	0.857	81%	0.807	S	S	*	*			trans	-67.7	123.2	151.7	-124.3	174.8	-176.9	175.6	0	106.4	A22 A26	A22-K24 VanDerWaalsContact C-N 3.33Å; A22-K24 PolarHBondContact O-N 3.22Å; K24-A26 PolarHBondContact O-N 3.31Å
25	A	61.7	Low	61.6	Low	98 Å²	98	140.5 Å²	140.5	81%	0.81	81%	0.814	S	S	*	*			trans	-64.4	84.1	177.6	0	0	0	0	0	110.1	T23 R27	T23-A25 PolarHBondContact O-N 3.05Å; A25-R27 VanDerWaalsContact C-N 3.26Å; A25-R27 PolarHBondContact O-N 2.89Å
26	A	57.5	Low	62.1	Low	93 Å²	93	136.8 Å²	136.8	77%	0.769	81%	0.808	S	S	*	*			trans	-67.6	90.1	169.8	0	0	0	0	0	107.4	K24 K28	K24-A26 PolarHBondContact O-N 3.31Å; A26-K28 PolarHBondContact O-N 3.22Å
27	R	62.3	Low	62.8	Low	229 Å²	229	141.9 Å²	141.9	86%	0.864	81%	0.814	S	S	*	*			trans	-50.3	129.8	159.7	-70.2	-178.3	176.2	179.2	-0.7	106.1	A25 S29	A25-R27 VanDerWaalsContact C-N 3.26Å; A25-R27 PolarHBondContact O-N 2.89Å; R27-S29 PolarHBondContact O-N 3.48Å
28	K	58.8	Low	63.8	Low	209 Å²	209	144.2 Å²	144.2	91%	0.909	81%	0.81	S	S	*	*			trans	-57.7	85.4	177.8	-83.4	178	171.1	175.7	0	109.9	A26	A26-K28 PolarHBondContact O-N 3.22Å
29	S	56.3	Low	65	Low	112 Å²	112	138.4 Å²	138.4	78%	0.783	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.2	136.1	149.9	47.5	0	0	0	0	107.2	R27	R27-S29 PolarHBondContact O-N 3.48Å
30	A	63.5	Low	66.5	Low	68 Å²	68	136.3 Å²	136.3	56%	0.562	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-58.4	153.8	-175.3	0	0	0	0	0	111.8
31	P	56	Low	68	Low	105 Å²	105	137.6 Å²	137.6	68%	0.682	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-56.5	140.7	171.7	23.8	-31.9	0	0	0	110.6	T33	P31-T33 PolarHBondContact O-N 3.05Å
32	A	63.8	Low	69.6	Low	109 Å²	109	135.2 Å²	135.2	90%	0.901	77%	0.774	S	S	*	*	S	Bend	trans	-68.5	9.7	-174	0	0	0	0	0	115.2
33	T	63.9	Low	71.3	Confident	128 Å²	128	140.1 Å²	140.1	79%	0.785	77%	0.771	S	S	*	*	S	Bend	trans	-140.1	95.8	178.5	53.5	0	0	0	0	109	P31	P31-T33 PolarHBondContact O-N 3.05Å
34	G	61.9	Low	73.2	Confident	61 Å²	61	139.3 Å²	139.3	63%	0.629	77%	0.768	S	S	*	*	S	Bend	trans	142.7	119.8	-179.8	0	0	0	0	0	110.3	V36	G34-V36 PolarHBondContact O-N 3.23Å
35	G	70.5	Confident	74.8	Confident	81 Å²	81	131.9 Å²	131.9	84%	0.835	75%	0.747	S	S	*	*			trans	-45	130.8	-173.4	0	0	0	0	0	113	K37	G35-K37 PolarHBondContact O-N 3.37Å; G35-K37 VanDerWaalsContact O-N 3.15Å
36	V	74.7	Confident	76.5	Confident	124 Å²	124	129.8 Å²	129.8	75%	0.752	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-51.5	122.3	177.6	179.9	0	0	0	0	108.7	G34 K38	G34-V36 PolarHBondContact O-N 3.23Å; V36-K38 PolarHBondContact O-N 3.15Å
37	K	77.3	Confident	78.5	Confident	193 Å²	193	128.1 Å²	128.1	84%	0.839	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.2	119.7	174.9	-175.7	179.3	-179.8	179.5	0	107.8	G35	G35-K37 PolarHBondContact O-N 3.37Å; G35-K37 VanDerWaalsContact O-N 3.15Å
38	K	81.8	Confident	80.2	Confident	189 Å²	189	119.4 Å²	119.4	82%	0.822	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-52.4	130.6	-179.2	-71.2	-175.3	178.3	179.6	0	109.2	V36 H40	V36-K38 PolarHBondContact O-N 3.15Å; K38-H40 PolarHBondContact O-N 2.94Å
39	P	87.8	Confident	82	Confident	118 Å²	118	113.9 Å²	113.9	77%	0.766	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-59.6	140.9	176	24.7	-32.4	0	0	0	109.2	R41	P39-R41 PolarHBondContact O-N 3.37Å
40	H	91.6	Very high	84	Confident	150 Å²	150	114.5 Å²	114.5	69%	0.694	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65.7	125.4	177.6	173.7	-85.1	0	0	0	109.7	K38 Y42	K38-H40 PolarHBondContact O-N 2.94Å; H40-Y42 AromaticContact CE1-CD1 3.72Å; H40-Y42 AromaticContact CE1-CE1 3.6Å; H40-Y42 AromaticContact CE1-CZ 3.83Å
41	R	94.5	Very high	85.7	Confident	221 Å²	221	116 Å²	116	83%	0.834	64%	0.641	S	S	*	*			trans	-122.9	127.3	175.6	-172.4	176.4	179.1	176.7	0.9	109.6	P39	P39-R41 PolarHBondContact O-N 3.37Å
42	Y	96.2	Very high	87.7	Confident	107 Å²	107	115 Å²	115	42%	0.42	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-66.4	149.7	171.7	-70.7	-70.4	0	0	0	110.9	H40 T46 V47 R50	H40-Y42 AromaticContact CE1-CD1 3.72Å; H40-Y42 AromaticContact CE1-CE1 3.6Å; H40-Y42 AromaticContact CE1-CZ 3.83Å; Y42-T46 HydrophobicContact CD1-CG2 3.73Å; Y42-T46 HydrophobicContact CE1-CG2 4.46Å; Y42-T46 HydrophobicContact CG-CG2 4.22Å; Y42-V47 HydrophobicContact CD2-CG2 3.91Å; Y42-V47 HydrophobicContact CG-CG2 4.13Å; Y42-R50 VanDerWaalsContact CE1-NH2 3.34Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.28Å; Y42-R50 PolarHBondContact OH-NH1 3.46Å; Y42-R50 PolarHBondContact OH-NH2 3.2Å
43	R	96.8	Very high	89.4	Confident	205 Å²	205	118 Å²	118	77%	0.774	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-65.6	148.1	173.9	-66.3	-177	176.2	-172.8	-2	110.1	G45 T46	R43-G45 PolarHBondContact O-N 3.04Å; R43-T46 VanDerWaalsContact O-CB 3.28Å; R43-T46 WeakPolarHBondContact O-CB 3.5Å; R43-T46 PolarHBondContact O-N 3.49Å; R43-T46 PolarHBondContact O-OG1 3.49Å
44	P	97.2	Very high	91	Very high	129 Å²	129	119 Å²	119	84%	0.838	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.4	137.9	170.2	-26.1	35.2	0	0	0	110.8	T46	P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.38Å
45	G	96.8	Very high	92.7	Very high	40 Å²	40	120.7 Å²	120.7	41%	0.412	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.5	-24.7	-175.4	0	0	0	0	0	115.4	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 3.04Å; G45-V47 PolarHBondContact O-N 3.46Å; G45-A48 PolarHBondContact O-N 3.09Å; G45-L49 WeakPolarHBondContact O-CB 3.36Å; G45-L49 WeakPolarHBondContact O-CG 3.44Å; G45-L49 PolarHBondContact O-N 3.05Å
46	T	98.1	Very high	94	Very high	55 Å²	55	124.1 Å²	124.1	34%	0.337	59%	0.59	S	S	.	*	H	α-helix	trans	-63.7	-41.2	-180	-60.3	0	0	0	0	112.5	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.73Å; Y42-T46 HydrophobicContact CE1-CG2 4.46Å; Y42-T46 HydrophobicContact CG-CG2 4.22Å; R43-T46 VanDerWaalsContact O-CB 3.28Å; R43-T46 WeakPolarHBondContact O-CB 3.5Å; R43-T46 PolarHBondContact O-N 3.49Å; R43-T46 PolarHBondContact O-OG1 3.49Å; P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.38Å; T46-R50 PolarHBondContact O-N 3.4Å
47	V	98.1	Very high	95.1	Very high	58 Å²	58	127.5 Å²	127.5	35%	0.352	59%	0.594	S	S	.	*	H	α-helix	trans	-74.9	-41.4	178.4	179.9	0	0	0	0	110.5	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.91Å; Y42-V47 HydrophobicContact CG-CG2 4.13Å; G45-V47 PolarHBondContact O-N 3.46Å; V47-L49 PolarHBondContact O-N 3.47Å; V47-R50 WeakPolarHBondContact O-CA 3.2Å; V47-R50 VanDerWaalsContact O-CB 3.32Å; V47-R50 WeakPolarHBondContact O-CB 3.41Å; V47-R50 PolarHBondContact O-N 3Å; V47-E51 HydrophobicContact CG1-CG 4.39Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.38Å; V47-E51 WeakPolarHBondContact O-CG 3.26Å; V47-E51 PolarHBondContact O-N 3.42Å
48	A	97.9	Very high	96.1	Very high	46 Å²	46	120.3 Å²	120.3	38%	0.38	57%	0.568	S	S	.	*	H	α-helix	trans	-57.9	-45.9	176.4	0	0	0	0	0	112.4	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.09Å; A48-R50 VanDerWaalsContact C-N 3.25Å; A48-R50 PolarHBondContact O-N 3.34Å; A48-E51 PolarHBondContact O-N 3.01Å; A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.39Å; A48-I52 PolarHBondContact O-N 3.37Å
49	L	98.3	Very high	96.8	Very high	93 Å²	93	118.4 Å²	118.4	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-64	-30.6	175.9	-71.4	173.4	0	0	0	112.9	G45 V47 R53	G45-L49 WeakPolarHBondContact O-CB 3.36Å; G45-L49 WeakPolarHBondContact O-CG 3.44Å; G45-L49 PolarHBondContact O-N 3.05Å; V47-L49 PolarHBondContact O-N 3.47Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.4Å; L49-R53 PolarHBondContact O-N 3.15Å
50	R	98.4	Very high	97.2	Very high	125 Å²	125	117.6 Å²	117.6	47%	0.472	56%	0.559	S	S	.	*	H	α-helix	trans	-70.8	-42.1	174.9	-173	-175.6	-57.8	-179.4	2.5	111.1	Y42 T46 V47 A48 R54	Y42-R50 VanDerWaalsContact CE1-NH2 3.34Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.28Å; Y42-R50 PolarHBondContact OH-NH1 3.46Å; Y42-R50 PolarHBondContact OH-NH2 3.2Å; T46-R50 PolarHBondContact O-N 3.4Å; V47-R50 WeakPolarHBondContact O-CA 3.2Å; V47-R50 VanDerWaalsContact O-CB 3.32Å; V47-R50 WeakPolarHBondContact O-CB 3.41Å; V47-R50 PolarHBondContact O-N 3Å; A48-R50 VanDerWaalsContact C-N 3.25Å; A48-R50 PolarHBondContact O-N 3.34Å; R50-R54 WeakPolarHBondContact O-CB 3.32Å; R50-R54 PolarHBondContact O-N 3Å
51	E	98.2	Very high	97.5	Very high	98 Å²	98	113 Å²	113	46%	0.458	54%	0.538	S	S	.	.	H	α-helix	trans	-64.9	-45.9	177.1	-72	170.2	-178.5	0	0	111.4	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.39Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.38Å; V47-E51 WeakPolarHBondContact O-CG 3.26Å; V47-E51 PolarHBondContact O-N 3.42Å; A48-E51 PolarHBondContact O-N 3.01Å; E51-R53 PolarHBondContact O-N 3.42Å; E51-R54 WeakPolarHBondContact O-CB 3.43Å; E51-R54 PolarHBondContact O-N 3.39Å; E51-R54 VanDerWaalsContact O-N 3.11Å; E51-Y55 HydrophobicContact CB-CD2 4.29Å; E51-Y55 HydrophobicContact CB-CE2 4.12Å; E51-Y55 WeakPolarHBondContact O-CD2 3.48Å; E51-Y55 PolarHBondContact O-N 2.9Å
52	I	98.2	Very high	97.7	Very high	86 Å²	86	106.9 Å²	106.9	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-54.5	-51.1	175.8	-69	164.3	0	0	0	110.6	A48 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.39Å; A48-I52 PolarHBondContact O-N 3.37Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.15Å; I52-Y55 PolarHBondContact O-N 3.46Å; I52-Q56 HydrophobicContact CG2-CG 4.38Å; I52-Q56 WeakPolarHBondContact O-CB 3.36Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.29Å; I52-Q56 PolarHBondContact O-N 3.19Å
53	R	98.4	Very high	97.8	Very high	171 Å²	171	104.9 Å²	104.9	65%	0.645	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-35.9	179	-69.7	173.4	-168	151.1	2.9	113	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.4Å; L49-R53 PolarHBondContact O-N 3.15Å; E51-R53 PolarHBondContact O-N 3.42Å; R53-K57 WeakPolarHBondContact O-CB 3.34Å; R53-K57 PolarHBondContact O-N 3.42Å
54	R	98.2	Very high	97.8	Very high	150 Å²	150	104.9 Å²	104.9	57%	0.566	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-52.7	176.5	177.1	-175.1	169.6	-179.8	-3.5	109.8	R50 E51 I52 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.32Å; R50-R54 PolarHBondContact O-N 3Å; E51-R54 WeakPolarHBondContact O-CB 3.43Å; E51-R54 PolarHBondContact O-N 3.39Å; E51-R54 VanDerWaalsContact O-N 3.11Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.15Å; R54-K57 PolarHBondContact O-N 3.01Å; R54-K57 VanDerWaalsContact O-N 3.14Å; R54-S58 PolarHBondContact O-N 3.48Å; R54-S58 PolarHBondContact O-OG 3.32Å; R54-E60 IonicContact NH2-OE1 3.7Å
55	Y	98.2	Very high	97.8	Very high	95 Å²	95	104.1 Å²	104.1	37%	0.373	50%	0.502	S	S	.	.	H	α-helix	trans	-71.7	-31.2	-174.3	-66.5	-52.7	0	0	0	113.3	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.29Å; E51-Y55 HydrophobicContact CB-CE2 4.12Å; E51-Y55 WeakPolarHBondContact O-CD2 3.48Å; E51-Y55 PolarHBondContact O-N 2.9Å; I52-Y55 PolarHBondContact O-N 3.46Å; Y55-K57 PolarHBondContact O-N 3.16Å; Y55-S58 WeakPolarHBondContact CA-OG 3.5Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-S58 PolarHBondContact O-OG 3.39Å; Y55-L62 HydrophobicContact CD1-CD1 4.43Å; Y55-L62 HydrophobicContact CD1-CD2 3.55Å; Y55-L62 HydrophobicContact CE1-CD2 3.56Å; Y55-L62 HydrophobicContact CG-CD2 4.39Å
56	Q	97.8	Very high	97.8	Very high	154 Å²	154	106.8 Å²	106.8	72%	0.72	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-22	171.1	-74.8	179.3	-24.6	0	0	113.6	I52	I52-Q56 HydrophobicContact CG2-CG 4.38Å; I52-Q56 WeakPolarHBondContact O-CB 3.36Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.29Å; I52-Q56 PolarHBondContact O-N 3.19Å
57	K	98.1	Very high	97.8	Very high	194 Å²	194	107.6 Å²	107.6	84%	0.843	51%	0.512	S	S	*	.	H	α-helix	trans	-89.4	-24.5	178.6	-172.9	172.9	179.8	178.5	0	112.7	R53 R54 Y55	R53-K57 WeakPolarHBondContact O-CB 3.34Å; R53-K57 PolarHBondContact O-N 3.42Å; R54-K57 PolarHBondContact O-N 3.01Å; R54-K57 VanDerWaalsContact O-N 3.14Å; Y55-K57 PolarHBondContact O-N 3.16Å
58	S	97.3	Very high	97.9	Very high	42 Å²	42	105.5 Å²	105.5	29%	0.294	50%	0.498	S	S	.	.			trans	-98	158.6	-178.4	57.1	0	0	0	0	111.9	R54 Y55	R54-S58 PolarHBondContact O-N 3.48Å; R54-S58 PolarHBondContact O-OG 3.32Å; Y55-S58 WeakPolarHBondContact CA-OG 3.5Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-S58 PolarHBondContact O-OG 3.39Å
59	T	96.9	Very high	97.9	Very high	149 Å²	149	106.8 Å²	106.8	91%	0.914	50%	0.496	S	S	*	.			trans	-117.2	20.5	172.6	56.7	0	0	0	0	112
60	E	96.9	Very high	97.8	Very high	102 Å²	102	110.3 Å²	110.3	48%	0.477	50%	0.503	S	S	.	.			trans	-71.6	141.5	177.4	66.4	-177.5	171.7	0	0	111	R54 L62	R54-E60 IonicContact NH2-OE1 3.7Å; E60-L62 HydrophobicContact CG-CD2 4.22Å
61	L	97.5	Very high	97.8	Very high	52 Å²	52	108.4 Å²	108.4	27%	0.272	50%	0.502	S	S	.	.			trans	-69.2	130.5	172.4	-65.4	174.2	0	0	0	110.1	M91 Q94 E95 E98	L61-M91 HydrophobicContact CD1-CE 3.54Å; L61-M91 HydrophobicContact CD1-SD 4.45Å; L61-Q94 HydrophobicContact CD1-CB 4.42Å; L61-Q94 HydrophobicContact CD1-CG 4.07Å; L61-Q94 HydrophobicContact CD2-CG 4.43Å; L61-E95 HydrophobicContact CD1-CG 4.46Å; L61-E95 HydrophobicContact CD2-CG 4.08Å; L61-E98 WeakPolarHBondContact CA-OE2 3.29Å; L61-E98 HydrophobicContact CD2-CB 4.47Å; L61-E98 HydrophobicContact CD2-CG 4.44Å
62	L	97.9	Very high	97.8	Very high	93 Å²	93	104.7 Å²	104.7	49%	0.487	49%	0.486	S	S	.	.			trans	-91.8	-26.3	-173.1	-57.2	-177.1	0	0	0	112.4	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD1 4.43Å; Y55-L62 HydrophobicContact CD1-CD2 3.55Å; Y55-L62 HydrophobicContact CE1-CD2 3.56Å; Y55-L62 HydrophobicContact CG-CD2 4.39Å; E60-L62 HydrophobicContact CG-CD2 4.22Å; L62-E98 PolarHBondContact N-OE1 3.31Å; L62-E98 PolarHBondContact N-OE2 2.88Å
63	I	97.9	Very high	97.8	Very high	65 Å²	65	105 Å²	105	33%	0.333	48%	0.481	S	S	.	.	S	Bend	trans	-81.4	134.1	176.5	-55.4	176.8	0	0	0	109	K65 F68 Q94 E98 L101	I63-K65 PolarHBondContact O-N 3.15Å; I63-F68 HydrophobicContact CD1-CD2 4.49Å; I63-F68 HydrophobicContact CG2-CB 3.97Å; I63-F68 HydrophobicContact CG2-CD2 4.18Å; I63-Q94 PolarHBondContact O-NE2 2.98Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.47Å; I63-E98 HydrophobicContact CD1-CG 3.79Å; I63-E98 HydrophobicContact CG1-CG 3.99Å; I63-E98 PolarHBondContact N-OE1 3.01Å; I63-L101 HydrophobicContact CD1-CD1 4.46Å
64	R	98.3	Very high	97.7	Very high	206 Å²	206	103 Å²	103	78%	0.777	48%	0.479	S	S	*	.			trans	-63	130.1	177.2	-65.3	-174.7	-178.3	-155.4	1.5	110.2	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.07Å; R64-P67 HydrophobicContact CB-CG 3.95Å; R64-P67 WeakPolarHBondContact O-CD 3.43Å; R64-F68 PolarHBondContact O-N 3.32Å; R64-F68 VanDerWaalsContact O-N 3.15Å
65	K	96.6	Very high	97.7	Very high	113 Å²	113	99.9 Å²	99.9	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-56.1	-48.3	-174.9	-64.2	-176.1	179.8	-67.4	0	114.1	I63 F68 Q69 M91	I63-K65 PolarHBondContact O-N 3.15Å; K65-F68 PolarHBondContact O-N 3.13Å; K65-Q69 WeakPolarHBondContact O-CB 3.34Å; K65-Q69 PolarHBondContact O-N 2.97Å; K65-M91 PolarHBondContact NZ-SD 2.75Å
66	L	97.4	Very high	97.7	Very high	95 Å²	95	96.1 Å²	96.1	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-66.9	-47.6	-175.3	176.4	65.8	0	0	0	113.1	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.07Å; L66-F68 PolarHBondContact O-N 3.49Å; L66-Q69 PolarHBondContact O-N 3.31Å; L66-R70 WeakPolarHBondContact O-CG 3.44Å; L66-R70 PolarHBondContact O-N 3.21Å
67	P	98.3	Very high	97.6	Very high	72 Å²	72	93.3 Å²	93.3	47%	0.468	45%	0.448	S	S	.	.	H	α-helix	trans	-57.6	-44.1	171.4	-28.5	35.9	0	0	0	113.5	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.95Å; R64-P67 WeakPolarHBondContact O-CD 3.43Å; P67-Q69 PolarHBondContact O-N 3.47Å; P67-R70 PolarHBondContact O-N 2.9Å; P67-L71 PolarHBondContact O-N 2.56Å
68	F	98.4	Very high	97.6	Very high	15 Å²	15	90.6 Å²	90.6	7%	0.066	44%	0.443	C	S	.	.	H	α-helix	trans	-60.7	-45.1	177.7	-174.6	-94.3	0	0	0	111.7	I63 R64 K65 L66 R70 L71 V72 V90 L93 Q94	I63-F68 HydrophobicContact CD1-CD2 4.49Å; I63-F68 HydrophobicContact CG2-CB 3.97Å; I63-F68 HydrophobicContact CG2-CD2 4.18Å; R64-F68 PolarHBondContact O-N 3.32Å; R64-F68 VanDerWaalsContact O-N 3.15Å; K65-F68 PolarHBondContact O-N 3.13Å; L66-F68 PolarHBondContact O-N 3.49Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.47Å; F68-L71 PolarHBondContact O-N 3.5Å; F68-V72 HydrophobicContact CD1-CG2 3.91Å; F68-V72 HydrophobicContact CE1-CG2 3.45Å; F68-V72 VanDerWaalsContact CE1-CG2 3.45Å; F68-V72 HydrophobicContact CZ-CG2 3.85Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 2.94Å; F68-V90 HydrophobicContact CD1-CG1 4.3Å; F68-L93 HydrophobicContact CE1-CB 4.11Å; F68-L93 HydrophobicContact CZ-CB 4.26Å; F68-Q94 HydrophobicContact CD1-CB 3.68Å; F68-Q94 HydrophobicContact CD1-CG 3.83Å; F68-Q94 HydrophobicContact CD2-CG 4.24Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 3.95Å; F68-Q94 HydrophobicContact CE2-CG 4.33Å; F68-Q94 HydrophobicContact CG-CB 4.34Å; F68-Q94 HydrophobicContact CG-CG 4Å; F68-Q94 HydrophobicContact CZ-CB 3.89Å; F68-Q94 HydrophobicContact CZ-CG 4.21Å
69	Q	97.9	Very high	97.5	Very high	73 Å²	73	96.9 Å²	96.9	34%	0.341	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-39.5	175.9	179.4	-178.2	-37	0	0	112.6	K65 L66 P67 R73 V90	K65-Q69 WeakPolarHBondContact O-CB 3.34Å; K65-Q69 PolarHBondContact O-N 2.97Å; L66-Q69 PolarHBondContact O-N 3.31Å; P67-Q69 PolarHBondContact O-N 3.47Å; Q69-R73 WeakPolarHBondContact O-CG 3.3Å; Q69-R73 PolarHBondContact O-N 3.01Å; Q69-R73 VanDerWaalsContact O-N 3.15Å; Q69-V90 HydrophobicContact CB-CG1 4.06Å; Q69-V90 HydrophobicContact CG-CG1 4.25Å
70	R	98.1	Very high	97.5	Very high	166 Å²	166	96.2 Å²	96.2	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-63.2	-45.9	176.5	-72.9	175.7	-179.7	-178.4	-1.6	110.9	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.44Å; L66-R70 PolarHBondContact O-N 3.21Å; P67-R70 PolarHBondContact O-N 2.9Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.47Å; R70-V72 PolarHBondContact O-N 3.23Å; R70-R73 PolarHBondContact O-N 2.93Å; R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 PolarHBondContact O-N 2.66Å
71	L	98.3	Very high	97.4	Very high	86 Å²	86	95.1 Å²	95.1	45%	0.45	45%	0.45	S	S	.	.	H	α-helix	trans	-60.7	-44.3	177	179.4	64.2	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 2.56Å; F68-L71 PolarHBondContact O-N 3.5Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.48Å; L71-E74 PolarHBondContact O-N 3.46Å; L71-I75 HydrophobicContact CD1-CD1 3.94Å; L71-I75 HydrophobicContact CD1-CG1 4.24Å; L71-I75 HydrophobicContact CG-CD1 3.96Å; L71-I75 WeakPolarHBondContact O-CG1 3.39Å; L71-I75 PolarHBondContact O-N 3.28Å
72	V	98	Very high	97.2	Very high	19 Å²	19	99.4 Å²	99.4	12%	0.115	47%	0.474	C	S	.	.	H	α-helix	trans	-58.4	-42.9	176.6	168.1	0	0	0	0	111.3	F68 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.91Å; F68-V72 HydrophobicContact CE1-CG2 3.45Å; F68-V72 VanDerWaalsContact CE1-CG2 3.45Å; F68-V72 HydrophobicContact CZ-CG2 3.85Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 2.94Å; R70-V72 PolarHBondContact O-N 3.23Å; V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 2.97Å; V72-F85 HydrophobicContact CG1-CD1 4.22Å; V72-F85 HydrophobicContact CG1-CE1 3.75Å; V72-F85 HydrophobicContact CG1-CZ 4.08Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.25Å
73	R	96.9	Very high	97.2	Very high	94 Å²	94	98.4 Å²	98.4	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-71.4	-38.1	179.8	-71.1	176.3	-178.9	-81.2	1.8	112.6	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.3Å; Q69-R73 PolarHBondContact O-N 3.01Å; Q69-R73 VanDerWaalsContact O-N 3.15Å; R70-R73 PolarHBondContact O-N 2.93Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.48Å; R73-A76 PolarHBondContact O-N 3.47Å; R73-Q77 WeakPolarHBondContact O-CB 3.12Å; R73-Q77 PolarHBondContact O-N 3.34Å; R73-F85 HydrophobicContact CG-CD2 4.22Å; R73-F85 HydrophobicContact CG-CE2 4.31Å
74	E	97.6	Very high	97.1	Very high	129 Å²	129	107 Å²	107	60%	0.603	50%	0.496	S	S	*	.	H	α-helix	trans	-58.2	-54	174.7	-176.2	-177.8	153.2	0	0	110.5	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 PolarHBondContact O-N 2.66Å; L71-E74 PolarHBondContact O-N 3.46Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.99Å; E74-Q77 WeakPolarHBondContact O-CB 3.38Å; E74-Q77 PolarHBondContact O-N 2.82Å
75	I	97.7	Very high	97	Very high	84 Å²	84	99.8 Å²	99.8	43%	0.431	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-43.1	178.7	-65.1	168.8	0	0	0	111.2	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.94Å; L71-I75 HydrophobicContact CD1-CG1 4.24Å; L71-I75 HydrophobicContact CG-CD1 3.96Å; L71-I75 WeakPolarHBondContact O-CG1 3.39Å; L71-I75 PolarHBondContact O-N 3.28Å; I75-Q77 VanDerWaalsContact C-N 3.25Å; I75-Q77 PolarHBondContact O-N 2.97Å; I75-D78 WeakPolarHBondContact O-CB 3.32Å; I75-D78 PolarHBondContact O-N 3.44Å; I75-F79 HydrophobicContact CG2-CE2 3.94Å; I75-F79 WeakPolarHBondContact O-CD2 3.28Å
76	A	97.4	Very high	97.1	Very high	16 Å²	16	100.9 Å²	100.9	13%	0.132	48%	0.478	C	S	.	.	H	α-helix	trans	-65.3	-30.6	-178.2	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 2.97Å; R73-A76 PolarHBondContact O-N 3.47Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.99Å; A76-D78 PolarHBondContact O-N 2.87Å; A76-F79 PolarHBondContact O-N 3.42Å; A76-F79 VanDerWaalsContact O-N 3.13Å; A76-K80 PolarHBondContact O-N 3.11Å; A76-L83 HydrophobicContact CB-CD1 4.13Å; A76-F85 HydrophobicContact CB-CE2 3.89Å; A76-F85 HydrophobicContact CB-CZ 3.49Å; A76-F85 VanDerWaalsContact CB-CZ 3.49Å
77	Q	96.8	Very high	97.1	Very high	95 Å²	95	101 Å²	101	44%	0.444	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-31.7	178.7	-170.7	69.5	17	0	0	111.9	R73 E74 I75 F79 T81	R73-Q77 WeakPolarHBondContact O-CB 3.12Å; R73-Q77 PolarHBondContact O-N 3.34Å; E74-Q77 WeakPolarHBondContact O-CB 3.38Å; E74-Q77 PolarHBondContact O-N 2.82Å; I75-Q77 VanDerWaalsContact C-N 3.25Å; I75-Q77 PolarHBondContact O-N 2.97Å; Q77-F79 PolarHBondContact O-N 2.94Å; Q77-T81 VanDerWaalsContact NE2-CG2 3.31Å
78	D	97	Very high	97	Very high	137 Å²	137	100.3 Å²	100.3	73%	0.733	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.6	177.4	-63.8	-24.2	0	0	0	112.7	I75 A76	I75-D78 WeakPolarHBondContact O-CB 3.32Å; I75-D78 PolarHBondContact O-N 3.44Å; A76-D78 PolarHBondContact O-N 2.87Å
79	F	96.2	Very high	97	Very high	173 Å²	173	101.4 Å²	101.4	76%	0.759	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-41.9	179.6	-63.1	-83.9	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.94Å; I75-F79 WeakPolarHBondContact O-CD2 3.28Å; A76-F79 PolarHBondContact O-N 3.42Å; A76-F79 VanDerWaalsContact O-N 3.13Å; Q77-F79 PolarHBondContact O-N 2.94Å
80	K	96.7	Very high	97	Very high	135 Å²	135	98.5 Å²	98.5	59%	0.587	48%	0.482	S	S	*	.			trans	-155.1	125	179.2	-179.1	165.5	179.7	167	0	110.7	A76 L83	A76-K80 PolarHBondContact O-N 3.11Å; K80-L83 HydrophobicContact CB-CD1 3.98Å; K80-L83 HydrophobicContact CB-CD2 4.48Å; K80-L83 HydrophobicContact CB-CG 4.09Å; K80-L83 HydrophobicContact CD-CD2 3.99Å; K80-L83 HydrophobicContact CD-CG 4.46Å; K80-L83 HydrophobicContact CG-CD2 4.17Å; K80-L83 HydrophobicContact CG-CG 4.09Å
81	T	95.4	Very high	97	Very high	80 Å²	80	93.4 Å²	93.4	49%	0.491	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	155.2	175.9	67.5	0	0	0	0	111.4	Q77 L83	Q77-T81 VanDerWaalsContact NE2-CG2 3.31Å; T81-L83 VanDerWaalsContact C-N 3.31Å; T81-L83 PolarHBondContact O-N 3.48Å
82	D	93.4	Very high	97	Very high	142 Å²	142	92 Å²	92	76%	0.759	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	27.1	172	-52.8	-54.5	0	0	0	115.6
83	L	96	Very high	97	Very high	72 Å²	72	94.7 Å²	94.7	38%	0.377	48%	0.48	S	S	.	.			trans	-69.9	132.7	173.3	-74.7	176	0	0	0	112.6	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.13Å; K80-L83 HydrophobicContact CB-CD1 3.98Å; K80-L83 HydrophobicContact CB-CD2 4.48Å; K80-L83 HydrophobicContact CB-CG 4.09Å; K80-L83 HydrophobicContact CD-CD2 3.99Å; K80-L83 HydrophobicContact CD-CG 4.46Å; K80-L83 HydrophobicContact CG-CD2 4.17Å; K80-L83 HydrophobicContact CG-CG 4.09Å; T81-L83 VanDerWaalsContact C-N 3.31Å; T81-L83 PolarHBondContact O-N 3.48Å; L83-F85 HydrophobicContact CB-CE2 3.96Å
84	R	96.6	Very high	97.1	Very high	244 Å²	244	90.3 Å²	90.3	92%	0.921	46%	0.464	S	S	*	.			trans	-98	136.1	167.8	-68	-175.6	175.8	-168.1	-1	109.7
85	F	97.1	Very high	97.1	Very high	55 Å²	55	89.6 Å²	89.6	24%	0.241	46%	0.461	C	S	.	.			trans	-110.8	131.2	179	-75.4	-97.1	0	0	0	110	V72 R73 A76 L83 V90 L93	V72-F85 HydrophobicContact CG1-CD1 4.22Å; V72-F85 HydrophobicContact CG1-CE1 3.75Å; V72-F85 HydrophobicContact CG1-CZ 4.08Å; R73-F85 HydrophobicContact CG-CD2 4.22Å; R73-F85 HydrophobicContact CG-CE2 4.31Å; A76-F85 HydrophobicContact CB-CE2 3.89Å; A76-F85 HydrophobicContact CB-CZ 3.49Å; A76-F85 VanDerWaalsContact CB-CZ 3.49Å; L83-F85 HydrophobicContact CB-CE2 3.96Å; F85-V90 HydrophobicContact CB-CG2 3.86Å; F85-V90 HydrophobicContact CD1-CG2 4.24Å; F85-V90 HydrophobicContact CG-CG2 4.31Å; F85-L93 HydrophobicContact CE1-CD1 4.44Å
86	Q	98.1	Very high	97.1	Very high	136 Å²	136	88.7 Å²	88.7	64%	0.636	47%	0.466	S	S	*	.			trans	-66.3	148.7	164.5	-169.1	176.4	-11.1	0	0	109.7	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.32Å; Q86-S88 VanDerWaalsContact CG-OG 3.29Å; Q86-S88 WeakPolarHBondContact CG-OG 3.48Å; Q86-S88 PolarHBondContact NE2-OG 3.32Å; Q86-S88 PolarHBondContact O-N 2.84Å; Q86-A89 HydrophobicContact CB-CB 4.18Å; Q86-A89 WeakPolarHBondContact O-CB 3.37Å; Q86-A89 PolarHBondContact O-N 3.26Å; Q86-V90 PolarHBondContact O-N 3.34Å
87	S	96.2	Very high	97.2	Very high	99 Å²	99	90 Å²	90	69%	0.692	47%	0.474	S	S	*	.	H	α-helix	trans	-59.7	-41.6	176.8	52.8	0	0	0	0	112.4	A89 V90 M91	S87-A89 VanDerWaalsContact C-N 3.33Å; S87-A89 PolarHBondContact O-N 2.8Å; S87-V90 PolarHBondContact O-N 2.92Å; S87-M91 WeakPolarHBondContact O-CG 3.24Å; S87-M91 PolarHBondContact O-N 3.32Å; S87-M91 VanDerWaalsContact O-N 3.15Å
88	S	97.8	Very high	97.2	Very high	57 Å²	57	86.4 Å²	86.4	40%	0.399	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-33	176.3	56.3	0	0	0	0	113	Q86 M91 A92	Q86-S88 VanDerWaalsContact C-N 3.32Å; Q86-S88 VanDerWaalsContact CG-OG 3.29Å; Q86-S88 WeakPolarHBondContact CG-OG 3.48Å; Q86-S88 PolarHBondContact NE2-OG 3.32Å; Q86-S88 PolarHBondContact O-N 2.84Å; S88-M91 PolarHBondContact O-N 3.13Å; S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 2.78Å
89	A	98	Very high	97.3	Very high	37 Å²	37	83.1 Å²	83.1	31%	0.306	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-44.1	177.6	0	0	0	0	0	111.4	Q86 S87 M91 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.18Å; Q86-A89 WeakPolarHBondContact O-CB 3.37Å; Q86-A89 PolarHBondContact O-N 3.26Å; S87-A89 VanDerWaalsContact C-N 3.33Å; S87-A89 PolarHBondContact O-N 2.8Å; A89-M91 VanDerWaalsContact C-N 3.31Å; A89-M91 PolarHBondContact O-N 3.19Å; A89-A92 PolarHBondContact O-N 2.97Å; A89-L93 VanDerWaalsContact O-CG 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.38Å; A89-L93 PolarHBondContact O-N 3Å
90	V	97.4	Very high	97.4	Very high	12 Å²	12	79.3 Å²	79.3	7%	0.073	43%	0.43	C	S	.	.	H	α-helix	trans	-64.7	-39.1	175.9	-177.6	0	0	0	0	111	F68 Q69 F85 Q86 S87 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.3Å; Q69-V90 HydrophobicContact CB-CG1 4.06Å; Q69-V90 HydrophobicContact CG-CG1 4.25Å; F85-V90 HydrophobicContact CB-CG2 3.86Å; F85-V90 HydrophobicContact CD1-CG2 4.24Å; F85-V90 HydrophobicContact CG-CG2 4.31Å; Q86-V90 PolarHBondContact O-N 3.34Å; S87-V90 PolarHBondContact O-N 2.92Å; V90-L93 PolarHBondContact O-N 3.47Å; V90-Q94 WeakPolarHBondContact O-CB 3.3Å; V90-Q94 PolarHBondContact O-N 3.42Å
91	M	97.6	Very high	97.5	Very high	60 Å²	60	76 Å²	76	30%	0.296	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-44.9	175.6	-74.5	-63.6	-53.2	0	0	112.4	L61 K65 S87 S88 A89 L93 Q94 E95	L61-M91 HydrophobicContact CD1-CE 3.54Å; L61-M91 HydrophobicContact CD1-SD 4.45Å; K65-M91 PolarHBondContact NZ-SD 2.75Å; S87-M91 WeakPolarHBondContact O-CG 3.24Å; S87-M91 PolarHBondContact O-N 3.32Å; S87-M91 VanDerWaalsContact O-N 3.15Å; S88-M91 PolarHBondContact O-N 3.13Å; A89-M91 VanDerWaalsContact C-N 3.31Å; A89-M91 PolarHBondContact O-N 3.19Å; M91-L93 PolarHBondContact O-N 2.7Å; M91-Q94 WeakPolarHBondContact O-CB 3.41Å; M91-Q94 PolarHBondContact O-N 3.01Å; M91-Q94 VanDerWaalsContact O-N 3.11Å; M91-E95 PolarHBondContact O-N 3.48Å
92	A	98.4	Very high	97.6	Very high	55 Å²	55	75.8 Å²	75.8	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.5	0	0	0	0	0	111.7	S88 A89 Q94 E95 A96	S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 2.78Å; A89-A92 PolarHBondContact O-N 2.97Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.32Å; A92-E95 PolarHBondContact O-N 3.45Å; A92-A96 WeakPolarHBondContact O-CB 3.38Å; A92-A96 PolarHBondContact O-N 2.93Å
93	L	98.4	Very high	97.8	Very high	76 Å²	76	69.9 Å²	69.9	40%	0.398	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-40.3	173.2	-71.4	170.3	0	0	0	111.5	F68 V72 F85 A89 V90 M91 S97	F68-L93 HydrophobicContact CE1-CB 4.11Å; F68-L93 HydrophobicContact CZ-CB 4.26Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.25Å; F85-L93 HydrophobicContact CE1-CD1 4.44Å; A89-L93 VanDerWaalsContact O-CG 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.38Å; A89-L93 PolarHBondContact O-N 3Å; V90-L93 PolarHBondContact O-N 3.47Å; M91-L93 PolarHBondContact O-N 2.7Å; L93-S97 VanDerWaalsContact O-CB 3.24Å; L93-S97 WeakPolarHBondContact O-CB 3.41Å; L93-S97 PolarHBondContact O-N 2.79Å; L93-S97 PolarHBondContact O-OG 2.9Å
94	Q	98.4	Very high	97.9	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.009	38%	0.375	C	S	.	.	H	α-helix	trans	-67.5	-47.7	178.8	-166	174.2	-18.4	0	0	112	L61 I63 F68 V90 M91 A92 A96 S97 E98	L61-Q94 HydrophobicContact CD1-CB 4.42Å; L61-Q94 HydrophobicContact CD1-CG 4.07Å; L61-Q94 HydrophobicContact CD2-CG 4.43Å; I63-Q94 PolarHBondContact O-NE2 2.98Å; F68-Q94 HydrophobicContact CD1-CB 3.68Å; F68-Q94 HydrophobicContact CD1-CG 3.83Å; F68-Q94 HydrophobicContact CD2-CG 4.24Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 3.95Å; F68-Q94 HydrophobicContact CE2-CG 4.33Å; F68-Q94 HydrophobicContact CG-CB 4.34Å; F68-Q94 HydrophobicContact CG-CG 4Å; F68-Q94 HydrophobicContact CZ-CB 3.89Å; F68-Q94 HydrophobicContact CZ-CG 4.21Å; V90-Q94 WeakPolarHBondContact O-CB 3.3Å; V90-Q94 PolarHBondContact O-N 3.42Å; M91-Q94 WeakPolarHBondContact O-CB 3.41Å; M91-Q94 PolarHBondContact O-N 3.01Å; M91-Q94 VanDerWaalsContact O-N 3.11Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.32Å; Q94-A96 PolarHBondContact O-N 2.67Å; Q94-S97 PolarHBondContact O-N 2.68Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.33Å; Q94-E98 PolarHBondContact O-N 3.48Å
95	E	98.3	Very high	98	Very high	115 Å²	115	60.4 Å²	60.4	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-48.5	177.1	-76.2	-178.3	-173.2	0	0	111.4	L61 M91 A92 S97 E98 A99	L61-E95 HydrophobicContact CD1-CG 4.46Å; L61-E95 HydrophobicContact CD2-CG 4.08Å; M91-E95 PolarHBondContact O-N 3.48Å; A92-E95 PolarHBondContact O-N 3.45Å; E95-S97 PolarHBondContact O-N 2.88Å; E95-E98 PolarHBondContact O-N 3.29Å; E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.26Å; E95-A99 PolarHBondContact O-N 3.29Å
96	A	98.4	Very high	98	Very high	65 Å²	65	63.4 Å²	63.4	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-42.3	178	0	0	0	0	0	112.4	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.38Å; A92-A96 PolarHBondContact O-N 2.93Å; Q94-A96 PolarHBondContact O-N 2.67Å; A96-Y100 VanDerWaalsContact O-CB 3.32Å; A96-Y100 WeakPolarHBondContact O-CB 3.41Å; A96-Y100 PolarHBondContact O-N 2.72Å
97	S	98.4	Very high	98	Very high	44 Å²	44	59.5 Å²	59.5	31%	0.308	35%	0.351	S	S	.	.	H	α-helix	trans	-65.8	-45.4	-179.4	-60.5	0	0	0	0	112	L93 Q94 E95 Y100 L101	L93-S97 VanDerWaalsContact O-CB 3.24Å; L93-S97 WeakPolarHBondContact O-CB 3.41Å; L93-S97 PolarHBondContact O-N 2.79Å; L93-S97 PolarHBondContact O-OG 2.9Å; Q94-S97 PolarHBondContact O-N 2.68Å; E95-S97 PolarHBondContact O-N 2.88Å; S97-Y100 PolarHBondContact O-N 3.48Å; S97-L101 WeakPolarHBondContact O-CB 3.49Å; S97-L101 VanDerWaalsContact O-CG 3.28Å; S97-L101 WeakPolarHBondContact O-CG 3.47Å; S97-L101 PolarHBondContact O-N 3.09Å
98	E	98.4	Very high	98.1	Very high	19 Å²	19	54.8 Å²	54.8	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-41.7	179.1	-70.6	-167.8	-151.5	0	0	111.5	L61 L62 I63 Q94 E95 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.29Å; L61-E98 HydrophobicContact CD2-CB 4.47Å; L61-E98 HydrophobicContact CD2-CG 4.44Å; L62-E98 PolarHBondContact N-OE1 3.31Å; L62-E98 PolarHBondContact N-OE2 2.88Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.47Å; I63-E98 HydrophobicContact CD1-CG 3.79Å; I63-E98 HydrophobicContact CG1-CG 3.99Å; I63-E98 PolarHBondContact N-OE1 3.01Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.33Å; Q94-E98 PolarHBondContact O-N 3.48Å; E95-E98 PolarHBondContact O-N 3.29Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-Y100 PolarHBondContact O-N 3.39Å; E98-L101 PolarHBondContact O-N 3.05Å; E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.29Å; E98-V102 PolarHBondContact O-N 3.46Å
99	A	98.3	Very high	98.2	Very high	67 Å²	67	55.4 Å²	55.4	55%	0.554	32%	0.317	S	S	*	.	H	α-helix	trans	-59.7	-44.9	175	0	0	0	0	0	111.9	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.26Å; E95-A99 PolarHBondContact O-N 3.29Å; A99-V102 PolarHBondContact O-N 2.9Å; A99-G103 PolarHBondContact O-N 2.98Å
100	Y	98	Very high	98.2	Very high	94 Å²	94	58.9 Å²	58.9	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-47	175.9	170.3	-98.3	0	0	0	112	A96 S97 E98 G103 L104 E134	A96-Y100 VanDerWaalsContact O-CB 3.32Å; A96-Y100 WeakPolarHBondContact O-CB 3.41Å; A96-Y100 PolarHBondContact O-N 2.72Å; S97-Y100 PolarHBondContact O-N 3.48Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-Y100 PolarHBondContact O-N 3.39Å; Y100-G103 PolarHBondContact O-N 2.74Å; Y100-L104 HydrophobicContact CE1-CD2 4.22Å; Y100-L104 WeakPolarHBondContact O-CB 3.36Å; Y100-L104 PolarHBondContact O-N 3.26Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.43Å; Y100-E134 PolarHBondContact OH-OE2 3.13Å
101	L	98.1	Very high	98.2	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-40.7	-179.9	-72.5	172.9	0	0	0	112.3	I63 S97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.46Å; S97-L101 WeakPolarHBondContact O-CB 3.49Å; S97-L101 VanDerWaalsContact O-CG 3.28Å; S97-L101 WeakPolarHBondContact O-CG 3.47Å; S97-L101 PolarHBondContact O-N 3.09Å; E98-L101 PolarHBondContact O-N 3.05Å; L101-L104 PolarHBondContact O-N 3.17Å; L101-F105 HydrophobicContact CB-CE2 4.46Å; L101-F105 WeakPolarHBondContact O-CD2 3.45Å; L101-F105 PolarHBondContact O-N 3.32Å
102	V	98.2	Very high	98.3	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-51.5	175	170.1	0	0	0	0	110.1	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.29Å; E98-V102 PolarHBondContact O-N 3.46Å; A99-V102 PolarHBondContact O-N 2.9Å; V102-L104 VanDerWaalsContact C-N 3.28Å; V102-L104 PolarHBondContact O-N 3.29Å; V102-F105 PolarHBondContact O-N 2.94Å; V102-F105 VanDerWaalsContact O-N 3.09Å; V102-E106 WeakPolarHBondContact O-CG 3.06Å; V102-E106 PolarHBondContact O-N 3.45Å
103	G	97.7	Very high	98.3	Very high	18 Å²	18	58.2 Å²	58.2	19%	0.186	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-40.8	176.9	0	0	0	0	0	112	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 2.98Å; Y100-G103 PolarHBondContact O-N 2.74Å; G103-F105 VanDerWaalsContact C-N 3.34Å; G103-F105 PolarHBondContact O-N 2.88Å; G103-E106 WeakPolarHBondContact O-CB 3.27Å; G103-E106 PolarHBondContact O-N 2.87Å; G103-D107 PolarHBondContact O-N 3.27Å; G103-R132 PolarHBondContact O-NH2 3.36Å
104	L	98	Very high	98.3	Very high	13 Å²	13	62.3 Å²	62.3	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-38.7	176.4	-179.6	60.9	0	0	0	112.2	Y100 L101 V102 E106 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.22Å; Y100-L104 WeakPolarHBondContact O-CB 3.36Å; Y100-L104 PolarHBondContact O-N 3.26Å; L101-L104 PolarHBondContact O-N 3.17Å; V102-L104 VanDerWaalsContact C-N 3.28Å; V102-L104 PolarHBondContact O-N 3.29Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-D107 PolarHBondContact O-N 3.15Å; L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.32Å; L104-T108 PolarHBondContact O-N 2.95Å; L104-T108 PolarHBondContact O-OG1 3.04Å; L104-I125 HydrophobicContact CD2-CG2 4.16Å; L104-A128 HydrophobicContact CD1-CB 4.07Å; L104-R129 HydrophobicContact CD1-CG 3.79Å; L104-R129 HydrophobicContact CD2-CG 4.4Å
105	F	98.4	Very high	98.3	Very high	103 Å²	103	64.4 Å²	64.4	45%	0.452	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-31.5	176.3	-78.1	-55.8	0	0	0	112.9	L101 V102 G103 T108 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.46Å; L101-F105 WeakPolarHBondContact O-CD2 3.45Å; L101-F105 PolarHBondContact O-N 3.32Å; V102-F105 PolarHBondContact O-N 2.94Å; V102-F105 VanDerWaalsContact O-N 3.09Å; G103-F105 VanDerWaalsContact C-N 3.34Å; G103-F105 PolarHBondContact O-N 2.88Å; F105-T108 PolarHBondContact O-N 3.22Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.34Å; F105-N109 PolarHBondContact O-N 3.37Å; F105-I120 HydrophobicContact CD1-CD1 3.8Å; F105-I120 HydrophobicContact CE1-CD1 3.92Å
106	E	98.2	Very high	98.3	Very high	119 Å²	119	68.7 Å²	68.7	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-61.3	-50.9	172.9	-69.7	174	174.3	0	0	111	V102 G103 L104 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.06Å; V102-E106 PolarHBondContact O-N 3.45Å; G103-E106 WeakPolarHBondContact O-CB 3.27Å; G103-E106 PolarHBondContact O-N 2.87Å; L104-E106 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 3.43Å; E106-N109 WeakPolarHBondContact O-CB 3.49Å; E106-N109 PolarHBondContact O-N 3.39Å; E106-L110 WeakPolarHBondContact O-CG 3.41Å; E106-L110 PolarHBondContact O-N 3.18Å
107	D	98.2	Very high	98.3	Very high	54 Å²	54	68 Å²	68	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-39.9	177.1	-73.2	-3.7	0	0	0	112.5	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.27Å; L104-D107 PolarHBondContact O-N 3.15Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 3.45Å; D107-L110 WeakPolarHBondContact O-CB 3.48Å; D107-L110 PolarHBondContact O-N 3.41Å; D107-C111 PolarHBondContact O-N 3.32Å; D107-C111 PolarHBondContact O-SG 2.9Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D107-R132 VanDerWaalsContact CG-NH2 3.25Å; D107-R132 IonicContact OD1-NH2 3.59Å; D107-R132 IonicContact OD2-CZ 2.67Å; D107-R132 IonicContact OD2-NE 3.88Å; D107-R132 PolarHBondContact OD2-NE 2.87Å; D107-R132 IonicContact OD2-NH2 2.72Å; D107-R132 PolarHBondContact OD2-NH2 3.38Å
108	T	98.5	Very high	98.2	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-40.3	175.7	-60.4	0	0	0	0	110.6	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.32Å; L104-T108 PolarHBondContact O-N 2.95Å; L104-T108 PolarHBondContact O-OG1 3.04Å; F105-T108 PolarHBondContact O-N 3.22Å; E106-T108 PolarHBondContact O-N 3.43Å; T108-C111 WeakPolarHBondContact O-CB 3.3Å; T108-C111 PolarHBondContact O-N 2.95Å; T108-A112 PolarHBondContact O-N 3.2Å; T108-I120 HydrophobicContact CG2-CB 3.85Å; T108-I120 HydrophobicContact CG2-CD1 4.39Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; T108-D124 HydrophobicContact CG2-CB 3.59Å; T108-I125 HydrophobicContact CG2-CB 4.49Å; T108-I125 HydrophobicContact CG2-CG1 3.51Å
109	N	98.5	Very high	98.2	Very high	69 Å²	69	76.2 Å²	76.2	37%	0.369	40%	0.404	S	S	.	.	H	α-helix	trans	-66.1	-41.2	176.6	-174.7	50.1	0	0	0	111.5	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.34Å; F105-N109 PolarHBondContact O-N 3.37Å; E106-N109 WeakPolarHBondContact O-CB 3.49Å; E106-N109 PolarHBondContact O-N 3.39Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 3.45Å; N109-C111 VanDerWaalsContact C-N 3.31Å; N109-C111 PolarHBondContact O-N 3.2Å; N109-A112 PolarHBondContact O-N 3.35Å; N109-I113 VanDerWaalsContact O-CG1 3.32Å; N109-I113 WeakPolarHBondContact O-CG1 3.28Å; N109-I113 PolarHBondContact O-N 3.42Å; N109-I120 HydrophobicContact CB-CG2 4.44Å
110	L	98.4	Very high	98.2	Very high	110 Å²	110	76.3 Å²	76.3	58%	0.576	39%	0.394	S	S	*	.	H	α-helix	trans	-59.7	-41.4	173	-65.5	177.6	0	0	0	111.8	E106 D107 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.41Å; E106-L110 PolarHBondContact O-N 3.18Å; D107-L110 WeakPolarHBondContact O-CB 3.48Å; D107-L110 PolarHBondContact O-N 3.41Å; L110-I113 PolarHBondContact O-N 3.27Å; L110-H114 WeakPolarHBondContact O-CB 3.38Å; L110-H114 PolarHBondContact O-N 3.2Å
111	C	98.3	Very high	98.2	Very high	17 Å²	17	75.4 Å²	75.4	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-41.4	175.3	-66.8	0	0	0	0	112.4	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.32Å; D107-C111 PolarHBondContact O-SG 2.9Å; T108-C111 WeakPolarHBondContact O-CB 3.3Å; T108-C111 PolarHBondContact O-N 2.95Å; N109-C111 VanDerWaalsContact C-N 3.31Å; N109-C111 PolarHBondContact O-N 3.2Å; C111-H114 PolarHBondContact O-N 3.03Å; C111-A115 PolarHBondContact O-N 3.11Å; C111-A115 VanDerWaalsContact O-N 3.15Å; C111-D124 HydrophobicContact CB-CB 3.94Å; C111-L127 HydrophobicContact CB-CD2 4.27Å
112	A	98.6	Very high	98.2	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-64.2	-44.2	176.4	0	0	0	0	0	111.9	T108 N109 A115 K116 R117 I120	T108-A112 PolarHBondContact O-N 3.2Å; N109-A112 PolarHBondContact O-N 3.35Å; A112-A115 CarbonylContact O-C 3.35Å; A112-A115 PolarHBondContact O-N 2.9Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A112-K116 PolarHBondContact O-N 3.06Å; A112-R117 CarbonylContact C-O 3.42Å; A112-R117 PolarHBondContact O-N 3.15Å; A112-I120 HydrophobicContact CB-CG2 3.98Å
113	I	98.4	Very high	98.2	Very high	96 Å²	96	78.7 Å²	78.7	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-42.5	177.1	-68.6	167.1	0	0	0	110.8	N109 L110 A115 K116	N109-I113 VanDerWaalsContact O-CG1 3.32Å; N109-I113 WeakPolarHBondContact O-CG1 3.28Å; N109-I113 PolarHBondContact O-N 3.42Å; L110-I113 PolarHBondContact O-N 3.27Å; I113-A115 PolarHBondContact O-N 3.31Å; I113-K116 WeakPolarHBondContact O-CA 3.32Å; I113-K116 PolarHBondContact O-N 3.48Å
114	H	98.3	Very high	98.2	Very high	162 Å²	162	78 Å²	78	75%	0.75	40%	0.402	S	S	*	.	H	α-helix	trans	-56.4	-37.5	174.9	-177.4	76.9	0	0	0	111.6	L110 C111 K116	L110-H114 WeakPolarHBondContact O-CB 3.38Å; L110-H114 PolarHBondContact O-N 3.2Å; C111-H114 PolarHBondContact O-N 3.03Å; H114-K116 PolarHBondContact O-N 2.91Å
115	A	98.2	Very high	98.2	Very high	47 Å²	47	79.9 Å²	79.9	39%	0.388	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	17.7	174.4	0	0	0	0	0	114.5	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.11Å; C111-A115 VanDerWaalsContact O-N 3.15Å; A112-A115 CarbonylContact O-C 3.35Å; A112-A115 PolarHBondContact O-N 2.9Å; A112-A115 VanDerWaalsContact O-N 3.17Å; I113-A115 PolarHBondContact O-N 3.31Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 VanDerWaalsContact CB-NH2 3.27Å; A115-R117 PolarHBondContact O-N 3.32Å
116	K	98.4	Very high	98.1	Very high	205 Å²	205	81.4 Å²	81.4	89%	0.891	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	31	179.8	-55.8	178.1	-179.9	176.9	0	114.3	A112 I113 H114	A112-K116 PolarHBondContact O-N 3.06Å; I113-K116 WeakPolarHBondContact O-CA 3.32Å; I113-K116 PolarHBondContact O-N 3.48Å; H114-K116 PolarHBondContact O-N 2.91Å
117	R	98.4	Very high	98	Very high	49 Å²	49	79.5 Å²	79.5	19%	0.185	41%	0.413	C	S	.	.			trans	-116.8	158.5	176.2	-71.6	176.3	-70.5	109	-2.3	111	A112 A115 T119 D124	A112-R117 CarbonylContact C-O 3.42Å; A112-R117 PolarHBondContact O-N 3.15Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 VanDerWaalsContact CB-NH2 3.27Å; A115-R117 PolarHBondContact O-N 3.32Å; R117-T119 PolarHBondContact NH1-O 3.34Å; R117-D124 IonicContact CZ-OD1 3.55Å; R117-D124 IonicContact CZ-OD2 3.68Å; R117-D124 IonicContact NH1-OD1 3.13Å; R117-D124 IonicContact NH1-OD2 2.7Å; R117-D124 PolarHBondContact NH1-OD2 2.89Å; R117-D124 IonicContact NH2-OD1 3.56Å; R117-D124 PolarHBondContact NH2-OD1 3.48Å; R117-D124 IonicContact NH2-OD2 2.75Å; R117-D124 PolarHBondContact NH2-OD2 3.49Å
118	V	97.6	Very high	98	Very high	134 Å²	134	77.1 Å²	77.1	81%	0.812	40%	0.4	S	S	*	.	S	Bend	trans	-104.8	-24.4	171.3	-175.8	0	0	0	0	111.3
119	T	98.2	Very high	97.9	Very high	102 Å²	102	82 Å²	82	63%	0.626	42%	0.419	S	S	*	.	S	Bend	trans	-90.1	120.7	178.2	-51.8	0	0	0	0	110.1	R117	R117-T119 PolarHBondContact NH1-O 3.34Å
120	I	98.3	Very high	97.8	Very high	69 Å²	69	84.8 Å²	84.8	35%	0.354	42%	0.424	S	S	.	.			trans	-68.3	145.5	171.9	59.8	169.5	0	0	0	111.1	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.8Å; F105-I120 HydrophobicContact CE1-CD1 3.92Å; T108-I120 HydrophobicContact CG2-CB 3.85Å; T108-I120 HydrophobicContact CG2-CD1 4.39Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; N109-I120 HydrophobicContact CB-CG2 4.44Å; A112-I120 HydrophobicContact CB-CG2 3.98Å
121	M	98.4	Very high	97.6	Very high	76 Å²	76	85.6 Å²	85.6	37%	0.374	43%	0.428	S	S	.	.			trans	-132	161.7	-178.4	-66.6	-179.8	176.3	0	0	110.5	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 4Å; M121-K123 PolarHBondContact O-N 2.71Å; M121-K123 VanDerWaalsContact O-N 3.13Å; M121-D124 PolarHBondContact N-OD2 3.33Å; M121-D124 VanDerWaalsContact O-CB 3.31Å; M121-D124 WeakPolarHBondContact O-CB 3.47Å; M121-D124 PolarHBondContact O-N 3.28Å; M121-I125 PolarHBondContact O-N 2.93Å
122	P	98.1	Very high	97.5	Very high	95 Å²	95	88.8 Å²	88.8	62%	0.617	44%	0.438	S	S	*	.	H	α-helix	trans	-54.3	-34.8	177.7	-28.5	36.1	0	0	0	114.1	D124 I125 Q126	P122-D124 PolarHBondContact O-N 2.72Å; P122-I125 PolarHBondContact O-N 3.04Å; P122-Q126 VanDerWaalsContact O-CG 3.29Å; P122-Q126 WeakPolarHBondContact O-CG 3.45Å; P122-Q126 PolarHBondContact O-N 3.41Å
123	K	97.1	Very high	97.3	Very high	114 Å²	114	91.5 Å²	91.5	50%	0.496	47%	0.465	S	S	.	.	H	α-helix	trans	-62.2	-29.5	175.6	66.4	-177.4	-173.5	-176	0	113.7	M121 L127	M121-K123 HydrophobicContact CB-CG 4Å; M121-K123 PolarHBondContact O-N 2.71Å; M121-K123 VanDerWaalsContact O-N 3.13Å; K123-L127 WeakPolarHBondContact O-CB 3.47Å; K123-L127 PolarHBondContact O-N 3.38Å
124	D	98.2	Very high	96.9	Very high	5 Å²	5	89.7 Å²	89.7	3%	0.027	46%	0.455	C	S	.	.	H	α-helix	trans	-72.9	-40	178.4	-56.4	-40.2	0	0	0	109.9	T108 C111 R117 M121 P122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.59Å; C111-D124 HydrophobicContact CB-CB 3.94Å; R117-D124 IonicContact CZ-OD1 3.55Å; R117-D124 IonicContact CZ-OD2 3.68Å; R117-D124 IonicContact NH1-OD1 3.13Å; R117-D124 IonicContact NH1-OD2 2.7Å; R117-D124 PolarHBondContact NH1-OD2 2.89Å; R117-D124 IonicContact NH2-OD1 3.56Å; R117-D124 PolarHBondContact NH2-OD1 3.48Å; R117-D124 IonicContact NH2-OD2 2.75Å; R117-D124 PolarHBondContact NH2-OD2 3.49Å; M121-D124 PolarHBondContact N-OD2 3.33Å; M121-D124 VanDerWaalsContact O-CB 3.31Å; M121-D124 WeakPolarHBondContact O-CB 3.47Å; M121-D124 PolarHBondContact O-N 3.28Å; P122-D124 PolarHBondContact O-N 2.72Å; D124-L127 PolarHBondContact O-N 2.94Å; D124-A128 WeakPolarHBondContact O-CB 3.17Å; D124-A128 PolarHBondContact O-N 3.38Å
125	I	97.4	Very high	95.6	Very high	52 Å²	52	89.2 Å²	89.2	27%	0.267	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-45.6	174.7	-60.9	176.1	0	0	0	110.1	L104 T108 M121 P122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.16Å; T108-I125 HydrophobicContact CG2-CB 4.49Å; T108-I125 HydrophobicContact CG2-CG1 3.51Å; M121-I125 PolarHBondContact O-N 2.93Å; P122-I125 PolarHBondContact O-N 3.04Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.28Å; I125-A128 PolarHBondContact O-N 3.38Å; I125-R129 HydrophobicContact CG2-CG 4.4Å; I125-R129 WeakPolarHBondContact O-CB 3.35Å; I125-R129 WeakPolarHBondContact O-CG 3.48Å; I125-R129 PolarHBondContact O-N 2.94Å
126	Q	96.8	Very high	93.6	Very high	134 Å²	134	94.6 Å²	94.6	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-60.3	-41.4	178	-71.2	168.6	0.9	0	0	111.7	P122 R130	P122-Q126 VanDerWaalsContact O-CG 3.29Å; P122-Q126 WeakPolarHBondContact O-CG 3.45Å; P122-Q126 PolarHBondContact O-N 3.41Å; Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.3Å; Q126-R130 PolarHBondContact O-N 3.39Å
127	L	96.4	Very high	93.4	Very high	80 Å²	80	89.1 Å²	89.1	42%	0.419	47%	0.47	S	S	.	.	H	α-helix	trans	-66	-47.8	176.2	-179.5	59.7	0	0	0	111.5	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.27Å; K123-L127 WeakPolarHBondContact O-CB 3.47Å; K123-L127 PolarHBondContact O-N 3.38Å; D124-L127 PolarHBondContact O-N 2.94Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.28Å; L127-R129 PolarHBondContact O-N 3.4Å; L127-R130 WeakPolarHBondContact O-CB 3.29Å; L127-R130 PolarHBondContact O-N 3.36Å; L127-R130 VanDerWaalsContact O-N 3.15Å; L127-I131 HydrophobicContact CD1-CD1 3.98Å; L127-I131 HydrophobicContact CD1-CG1 4.29Å; L127-I131 HydrophobicContact CG-CD1 4.01Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.5Å
128	A	97.1	Very high	93.1	Very high	3 Å²	3	91.2 Å²	91.2	3%	0.025	49%	0.485	C	S	.	.	H	α-helix	trans	-57	-50.9	177.6	0	0	0	0	0	111.5	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.07Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D124-A128 WeakPolarHBondContact O-CB 3.17Å; D124-A128 PolarHBondContact O-N 3.38Å; I125-A128 PolarHBondContact O-N 3.38Å; A128-R130 VanDerWaalsContact C-N 3.28Å; A128-R130 PolarHBondContact O-N 3.01Å; A128-I131 PolarHBondContact O-N 3.15Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 3.34Å
129	R	96.8	Very high	92.9	Very high	104 Å²	104	88.8 Å²	88.8	39%	0.392	47%	0.467	S	S	.	.	H	α-helix	trans	-60.4	-36.6	176.4	-70.8	-173.6	63	-155.3	-7.9	112.9	L104 I125 L127 R132 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.79Å; L104-R129 HydrophobicContact CD2-CG 4.4Å; I125-R129 HydrophobicContact CG2-CG 4.4Å; I125-R129 WeakPolarHBondContact O-CB 3.35Å; I125-R129 WeakPolarHBondContact O-CG 3.48Å; I125-R129 PolarHBondContact O-N 2.94Å; L127-R129 PolarHBondContact O-N 3.4Å; R129-R132 PolarHBondContact O-N 3.14Å; R129-G133 PolarHBondContact O-N 3.05Å; R129-E134 HydrophobicContact CB-CB 4.49Å; R129-E134 IonicContact NE-OE2 3.94Å; R129-E134 PolarHBondContact NH2-O 3.03Å; R129-E134 PolarHBondContact O-N 3.01Å; R129-E134 VanDerWaalsContact O-N 3.07Å
130	R	96.3	Very high	92.5	Very high	127 Å²	127	88 Å²	88	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-46.7	176.1	175.5	48.8	168.1	163	0.2	111.2	Q126 L127 A128 R132 G133 R135	Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.3Å; Q126-R130 PolarHBondContact O-N 3.39Å; L127-R130 WeakPolarHBondContact O-CB 3.29Å; L127-R130 PolarHBondContact O-N 3.36Å; L127-R130 VanDerWaalsContact O-N 3.15Å; A128-R130 VanDerWaalsContact C-N 3.28Å; A128-R130 PolarHBondContact O-N 3.01Å; R130-R132 VanDerWaalsContact C-N 3.31Å; R130-R132 PolarHBondContact O-N 3.25Å; R130-G133 PolarHBondContact O-N 3.3Å; R130-G133 VanDerWaalsContact O-N 3.16Å; R130-R135 VanDerWaalsContact CD-CZ 3.43Å
131	I	95.6	Very high	92.2	Very high	127 Å²	127	89.2 Å²	89.2	65%	0.651	46%	0.464	S	S	*	.	H	α-helix	trans	-64.9	-38	179.6	-65.7	168.8	0	0	0	110.9	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.98Å; L127-I131 HydrophobicContact CD1-CG1 4.29Å; L127-I131 HydrophobicContact CG-CD1 4.01Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.5Å; A128-I131 PolarHBondContact O-N 3.15Å; I131-G133 PolarHBondContact O-N 3.4Å
132	R	95.3	Very high	91.8	Very high	84 Å²	84	90.1 Å²	90.1	32%	0.317	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.3	175.1	-69.6	-176.5	178.8	-162.2	-8.8	114.9	G103 D107 A128 R129 R130 E134	G103-R132 PolarHBondContact O-NH2 3.36Å; D107-R132 VanDerWaalsContact CG-NH2 3.25Å; D107-R132 IonicContact OD1-NH2 3.59Å; D107-R132 IonicContact OD2-CZ 2.67Å; D107-R132 IonicContact OD2-NE 3.88Å; D107-R132 PolarHBondContact OD2-NE 2.87Å; D107-R132 IonicContact OD2-NH2 2.72Å; D107-R132 PolarHBondContact OD2-NH2 3.38Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 3.34Å; R129-R132 PolarHBondContact O-N 3.14Å; R130-R132 VanDerWaalsContact C-N 3.31Å; R130-R132 PolarHBondContact O-N 3.25Å; R132-E134 VanDerWaalsContact C-N 3.28Å; R132-E134 HydrophobicContact CB-CG 3.83Å; R132-E134 WeakPolarHBondContact CD-OE1 3.5Å; R132-E134 IonicContact NH1-OE1 3.42Å; R132-E134 PolarHBondContact O-N 3.31Å
133	G	94.3	Very high	91.3	Very high	56 Å²	56	89.7 Å²	89.7	58%	0.577	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	10.8	-174.9	0	0	0	0	0	114.2	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.05Å; R130-G133 PolarHBondContact O-N 3.3Å; R130-G133 VanDerWaalsContact O-N 3.16Å; I131-G133 PolarHBondContact O-N 3.4Å; G133-R135 PolarHBondContact O-N 3.21Å; G133-R135 VanDerWaalsContact O-N 3.09Å
134	E	89.3	Confident	90.9	Very high	58 Å²	58	87.8 Å²	87.8	27%	0.271	46%	0.457	S	S	.	.			trans	-82.1	22.9	-179.1	-62	172.1	-172.5	0	0	113.1	Y100 R129 R132 A136	Y100-E134 WeakPolarHBondContact CE2-OE1 3.43Å; Y100-E134 PolarHBondContact OH-OE2 3.13Å; R129-E134 HydrophobicContact CB-CB 4.49Å; R129-E134 IonicContact NE-OE2 3.94Å; R129-E134 PolarHBondContact NH2-O 3.03Å; R129-E134 PolarHBondContact O-N 3.01Å; R129-E134 VanDerWaalsContact O-N 3.07Å; R132-E134 VanDerWaalsContact C-N 3.28Å; R132-E134 HydrophobicContact CB-CG 3.83Å; R132-E134 WeakPolarHBondContact CD-OE1 3.5Å; R132-E134 IonicContact NH1-OE1 3.42Å; R132-E134 PolarHBondContact O-N 3.31Å; E134-A136 PolarHBondContact O-N 3.14Å
135	R	72.8	Confident	90.3	Very high	153 Å²	153	94.8 Å²	94.8	58%	0.577	49%	0.493	S	S	*	.			trans	-73.2	128.2	177.8	-102.2	-161.3	-176.6	160.5	2.5	109.6	R130 G133	R130-R135 VanDerWaalsContact CD-CZ 3.43Å; G133-R135 PolarHBondContact O-N 3.21Å; G133-R135 VanDerWaalsContact O-N 3.09Å
136	A	55.4	Low	89.6	Confident	159 Å²	159	98.6 Å²	98.6	100%	1.314	51%	0.514	S	S	*	.			trans	-62.7	0	142	0	0	0	0	0	109.1	E134	E134-A136 PolarHBondContact O-N 3.14Å

Retrieved 136 of 136 residues in 332.1 ms (Link to these results)

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