A0A060W2E3_ONCMY Loading...

Histone H3

AlphaFold DB , UniProt , Accession A0A060W2E3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 136 aa.

						>A0A060W2E3_ONCMY|A0A060W2E3
MARTKQTARKSTGGKAPRKQLATKAARKSAPSTGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSAAIGALQATSEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
					

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	46.9	Very low	59	Low	251 Å²	251	170.5 Å²	170.5	100%	1.236	87%	0.872	S	S	*	*				0	111.9	0	-74.9	179.9	173.2	0	0	108.9
2	A	53.6	Low	59	Low	100 Å²	100	167.6 Å²	167.6	83%	0.826	87%	0.869	S	S	*	*			trans	-82.7	122.4	-175.2	0	0	0	0	0	110.9	T4	A2-T4 PolarHBondContact O-N 3.28Å; A2-T4 VanDerWaalsContact O-N 3.15Å
3	R	58.2	Low	59.1	Low	250 Å²	250	161.1 Å²	161.1	94%	0.943	87%	0.868	S	S	*	*			trans	-72.8	101	179.9	-170.8	179.6	-174.3	-177.8	3.3	109.8	K5	R3-K5 PolarHBondContact O-N 3.08Å
4	T	63	Low	59.5	Low	126 Å²	126	155.4 Å²	155.4	77%	0.773	87%	0.865	S	S	*	*			trans	-70.6	110.7	172	45.3	0	0	0	0	110	A2 Q6	A2-T4 PolarHBondContact O-N 3.28Å; A2-T4 VanDerWaalsContact O-N 3.15Å; T4-Q6 PolarHBondContact O-N 3.35Å; T4-Q6 VanDerWaalsContact O-N 3.1Å
5	K	62.9	Low	59.7	Low	197 Å²	197	158.9 Å²	158.9	86%	0.857	87%	0.868	S	S	*	*			trans	-75.2	92.9	174.9	-151.8	177.3	-170.9	179.8	0	108.3	R3 T7	R3-K5 PolarHBondContact O-N 3.08Å; K5-T7 PolarHBondContact O-N 3.33Å; K5-T7 VanDerWaalsContact O-N 3.16Å
6	Q	60.3	Low	59.6	Low	187 Å²	187	154.4 Å²	154.4	87%	0.874	86%	0.859	S	S	*	*			trans	-66	110.2	168.8	-86.9	-175.9	-11.8	0	0	108.9	T4 A8	T4-Q6 PolarHBondContact O-N 3.35Å; T4-Q6 VanDerWaalsContact O-N 3.1Å; Q6-A8 PolarHBondContact O-N 3.14Å
7	T	63.9	Low	59.6	Low	123 Å²	123	153.4 Å²	153.4	76%	0.755	86%	0.861	S	S	*	*			trans	-81.4	111.8	165.5	53.3	0	0	0	0	108.3	K5 R9	K5-T7 PolarHBondContact O-N 3.33Å; K5-T7 VanDerWaalsContact O-N 3.16Å; T7-R9 PolarHBondContact O-N 3.03Å
8	A	58.3	Low	59.7	Low	97 Å²	97	156.2 Å²	156.2	80%	0.802	86%	0.856	S	S	*	*			trans	-61.5	100.2	174.8	0	0	0	0	0	110	Q6 K10	Q6-A8 PolarHBondContact O-N 3.14Å; A8-K10 PolarHBondContact O-N 3.31Å
9	R	61.9	Low	59.6	Low	240 Å²	240	158.2 Å²	158.2	91%	0.906	86%	0.855	S	S	*	*			trans	-78.4	99.7	169.2	-169.6	177.3	176.4	-171	-2.2	107.4	T7 S11	T7-R9 PolarHBondContact O-N 3.03Å; R9-S11 PolarHBondContact O-N 3.38Å
10	K	57.4	Low	59.7	Low	192 Å²	192	160.1 Å²	160.1	84%	0.835	86%	0.858	S	S	*	*			trans	-56.8	121.9	174.6	-72.8	-175.5	177.4	-178.3	0	109.8	A8 T12	A8-K10 PolarHBondContact O-N 3.31Å; K10-T12 PolarHBondContact O-N 3.47Å
11	S	62.7	Low	59.7	Low	113 Å²	113	159.5 Å²	159.5	79%	0.79	85%	0.854	S	S	*	*			trans	-83	92.5	168.9	55.5	0	0	0	0	108.9	R9	R9-S11 PolarHBondContact O-N 3.38Å
12	T	59	Low	60.5	Low	135 Å²	135	153 Å²	153	83%	0.828	84%	0.84	S	S	*	*			trans	-171.7	125.1	151.1	18.2	0	0	0	0	107.6	K10	K10-T12 PolarHBondContact O-N 3.47Å
13	G	60.6	Low	60.6	Low	83 Å²	83	152.7 Å²	152.7	86%	0.856	83%	0.828	S	S	*	*			trans	-75.1	164.3	174	0	0	0	0	0	112
14	G	64.6	Low	60.7	Low	81 Å²	81	150.4 Å²	150.4	84%	0.835	83%	0.825	S	S	*	*			trans	117.6	114	164.8	0	0	0	0	0	113.6
15	K	61.5	Low	60.5	Low	208 Å²	208	149.1 Å²	149.1	90%	0.904	83%	0.827	S	S	*	*			trans	-10.2	136.3	172.4	-77.7	173.3	173	175	0	118.4
16	A	59.1	Low	60.2	Low	88 Å²	88	144.1 Å²	144.1	73%	0.727	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-57	144.2	164	0	0	0	0	0	112.2	R18	A16-R18 PolarHBondContact O-N 3.37Å
17	P	60.1	Low	60.2	Low	136 Å²	136	146.4 Å²	146.4	88%	0.883	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.8	123.4	-177.6	27.4	-31.6	0	0	0	110.1
18	R	60.8	Low	59.9	Low	204 Å²	204	150.9 Å²	150.9	77%	0.77	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-100.8	128.9	-178.4	-161.7	178.3	-174.4	-180	2.7	110	A16 Q20	A16-R18 PolarHBondContact O-N 3.37Å; R18-Q20 PolarHBondContact O-N 3.23Å
19	K	56.8	Low	59.7	Low	194 Å²	194	151.6 Å²	151.6	84%	0.843	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-54.3	130.6	169.6	-137.1	175.8	-175.7	-178.6	0	109.4	L21	K19-L21 PolarHBondContact O-N 3.04Å; K19-L21 VanDerWaalsContact O-N 3.1Å
20	Q	62	Low	59.8	Low	197 Å²	197	143.5 Å²	143.5	92%	0.921	82%	0.816	S	S	*	*			trans	-65.8	107.3	-180	-86.9	-179.6	-9.9	0	0	110.6	R18	R18-Q20 PolarHBondContact O-N 3.23Å
21	L	59.8	Low	59.7	Low	147 Å²	147	139.4 Å²	139.4	77%	0.77	81%	0.809	S	S	*	*			trans	-132.5	126.7	157.1	-83.4	159.6	0	0	0	105.5	K19 T23	K19-L21 PolarHBondContact O-N 3.04Å; K19-L21 VanDerWaalsContact O-N 3.1Å; L21-T23 PolarHBondContact O-N 2.99Å
22	A	64.4	Low	59.7	Low	114 Å²	114	140 Å²	140	94%	0.942	81%	0.813	S	S	*	*			trans	-52.9	110.6	-177.6	0	0	0	0	0	109.7
23	T	55.2	Low	59.9	Low	94 Å²	94	139.6 Å²	139.6	58%	0.577	81%	0.811	S	S	*	*			trans	-109.4	108.6	179.3	36	0	0	0	0	108.7	L21 A25	L21-T23 PolarHBondContact O-N 2.99Å; T23-A25 PolarHBondContact O-N 3.33Å
24	K	59.8	Low	59.9	Low	203 Å²	203	138.8 Å²	138.8	88%	0.883	80%	0.802	S	S	*	*			trans	-35.1	127.8	156	-128.2	171.6	-178.4	175.5	0	108	A26	K24-A26 PolarHBondContact O-N 2.9Å
25	A	60	Low	60.2	Low	99 Å²	99	138.7 Å²	138.7	82%	0.818	80%	0.801	S	S	*	*			trans	-64.6	84.8	-179.4	0	0	0	0	0	110.1	T23 R27	T23-A25 PolarHBondContact O-N 3.33Å; A25-R27 VanDerWaalsContact C-N 3.29Å; A25-R27 PolarHBondContact O-N 3.04Å
26	A	55.8	Low	60.9	Low	92 Å²	92	134.8 Å²	134.8	76%	0.76	80%	0.795	S	S	*	*			trans	-63	97.3	164.6	0	0	0	0	0	106.2	K24 K28	K24-A26 PolarHBondContact O-N 2.9Å; A26-K28 PolarHBondContact O-N 3.24Å
27	R	60.4	Low	61.8	Low	234 Å²	234	139.9 Å²	139.9	88%	0.883	80%	0.8	S	S	*	*			trans	-48.4	127.5	165.1	-70.9	179.8	176.3	176.3	-0.8	106.1	A25 S29	A25-R27 VanDerWaalsContact C-N 3.29Å; A25-R27 PolarHBondContact O-N 3.04Å; R27-S29 VanDerWaalsContact C-N 3.31Å; R27-S29 PolarHBondContact O-N 3.37Å
28	K	57.2	Low	62.9	Low	218 Å²	218	142.8 Å²	142.8	95%	0.948	80%	0.799	S	S	*	*			trans	-49	90.9	-179.7	-77.4	177.9	173	177.6	0	110.7	A26	A26-K28 PolarHBondContact O-N 3.24Å
29	S	55.3	Low	64.2	Low	111 Å²	111	138.7 Å²	138.7	78%	0.776	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.7	130.4	153.5	49.9	0	0	0	0	106.4	R27	R27-S29 VanDerWaalsContact C-N 3.31Å; R27-S29 PolarHBondContact O-N 3.37Å
30	A	63.3	Low	66	Low	71 Å²	71	136.7 Å²	136.7	59%	0.587	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-54.2	153.2	-175.2	0	0	0	0	0	112.4	S32	A30-S32 PolarHBondContact O-N 3.19Å
31	P	55	Low	67.5	Low	106 Å²	106	137.9 Å²	137.9	69%	0.688	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.3	171.1	23.3	-30.8	0	0	0	110.2	T33	P31-T33 PolarHBondContact O-N 3.16Å
32	S	62.1	Low	69.3	Low	126 Å²	126	135.9 Å²	135.9	88%	0.881	77%	0.771	S	S	*	*	S	Bend	trans	-75.5	18.6	-174	68.5	0	0	0	0	114.6	A30	A30-S32 PolarHBondContact O-N 3.19Å
33	T	63.5	Low	70.8	Confident	126 Å²	126	140.3 Å²	140.3	77%	0.773	76%	0.764	S	S	*	*	S	Bend	trans	-142.3	93.5	178.8	47.8	0	0	0	0	109.6	P31	P31-T33 PolarHBondContact O-N 3.16Å
34	G	61.3	Low	72.8	Confident	66 Å²	66	142.1 Å²	142.1	68%	0.68	78%	0.777	S	S	*	*	S	Bend	trans	136	115.5	-179.7	0	0	0	0	0	110.1	V36	G34-V36 PolarHBondContact O-N 2.96Å
35	G	71.7	Confident	74.6	Confident	79 Å²	79	134.3 Å²	134.3	81%	0.814	75%	0.754	S	S	*	*			trans	-43.7	134.7	-172.8	0	0	0	0	0	113.1	K37	G35-K37 PolarHBondContact O-N 3.46Å; G35-K37 VanDerWaalsContact O-N 3.12Å
36	V	75.2	Confident	76.4	Confident	126 Å²	126	132.2 Å²	132.2	76%	0.764	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-49	121.1	178.6	-178.6	0	0	0	0	108.8	G34 K38	G34-V36 PolarHBondContact O-N 2.96Å; V36-K38 PolarHBondContact O-N 3.48Å; V36-K38 VanDerWaalsContact O-N 3.11Å
37	K	79	Confident	78.4	Confident	195 Å²	195	130.7 Å²	130.7	85%	0.848	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-51.1	123.8	173.7	-96.1	-171.8	175	-177.1	0	108.2	G35	G35-K37 PolarHBondContact O-N 3.46Å; G35-K37 VanDerWaalsContact O-N 3.12Å
38	K	82.9	Confident	80.2	Confident	197 Å²	197	121.8 Å²	121.8	86%	0.857	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.1	178.3	-70.1	-176.1	178.3	179.7	0	109.1	V36 H40	V36-K38 PolarHBondContact O-N 3.48Å; V36-K38 VanDerWaalsContact O-N 3.11Å; K38-H40 PolarHBondContact O-N 3.04Å
39	P	88.4	Confident	82.2	Confident	118 Å²	118	116 Å²	116	77%	0.766	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-59.8	139.4	176	24.3	-32.3	0	0	0	109.3	R41	P39-R41 PolarHBondContact O-N 3.19Å
40	H	92.8	Very high	84.2	Confident	151 Å²	151	116.7 Å²	116.7	70%	0.699	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-65.1	125.6	178.3	173.8	-86.2	0	0	0	110	K38 Y42	K38-H40 PolarHBondContact O-N 3.04Å; H40-Y42 AromaticContact CE1-CD1 3.74Å; H40-Y42 AromaticContact CE1-CE1 3.68Å; H40-Y42 AromaticContact CE1-CG 3.98Å; H40-Y42 AromaticContact CE1-CZ 3.85Å
41	R	94.9	Very high	85.9	Confident	223 Å²	223	117.8 Å²	117.8	84%	0.842	65%	0.646	S	S	*	*			trans	-121.9	126.2	174.7	-172.4	175.5	179.8	176.5	0.9	109.5	P39	P39-R41 PolarHBondContact O-N 3.19Å
42	Y	96.4	Very high	87.9	Confident	105 Å²	105	116.8 Å²	116.8	41%	0.412	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-64.7	148.8	172.4	-71	-75.5	0	0	0	110.9	H40 T46 V47 R50	H40-Y42 AromaticContact CE1-CD1 3.74Å; H40-Y42 AromaticContact CE1-CE1 3.68Å; H40-Y42 AromaticContact CE1-CG 3.98Å; H40-Y42 AromaticContact CE1-CZ 3.85Å; Y42-T46 HydrophobicContact CD1-CG2 3.69Å; Y42-T46 HydrophobicContact CE1-CG2 4.4Å; Y42-T46 HydrophobicContact CG-CG2 4.29Å; Y42-V47 HydrophobicContact CD2-CG2 3.98Å; Y42-V47 HydrophobicContact CG-CG2 4.09Å; Y42-R50 VanDerWaalsContact CE1-NH2 3.28Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.35Å; Y42-R50 PolarHBondContact OH-NH1 3.36Å; Y42-R50 PolarHBondContact OH-NH2 2.9Å
43	R	96.9	Very high	89.7	Confident	207 Å²	207	119 Å²	119	78%	0.781	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-64.7	147.5	173.5	-65.4	-177	177.1	-171.7	-1.4	110	G45 T46	R43-G45 PolarHBondContact O-N 2.95Å; R43-T46 VanDerWaalsContact O-CB 3.3Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 3.38Å; R43-T46 PolarHBondContact O-OG1 3.36Å
44	P	97.5	Very high	91.3	Very high	131 Å²	131	120.2 Å²	120.2	85%	0.851	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.4	137.8	170.6	-26.2	35.1	0	0	0	110.9	T46	P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 3.3Å
45	G	96.9	Very high	93.1	Very high	40 Å²	40	121.6 Å²	121.6	41%	0.412	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.5	-24.5	-175.4	0	0	0	0	0	115.5	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 2.95Å; G45-V47 PolarHBondContact O-N 3.37Å; G45-A48 PolarHBondContact O-N 3.44Å; G45-L49 WeakPolarHBondContact O-CB 3.5Å; G45-L49 WeakPolarHBondContact O-CG 3.44Å; G45-L49 PolarHBondContact O-N 3.36Å
46	T	98.1	Very high	94.3	Very high	55 Å²	55	125.2 Å²	125.2	34%	0.337	60%	0.595	S	S	.	*	H	α-helix	trans	-63.8	-41.5	-179.7	-59.8	0	0	0	0	112.4	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.69Å; Y42-T46 HydrophobicContact CE1-CG2 4.4Å; Y42-T46 HydrophobicContact CG-CG2 4.29Å; R43-T46 VanDerWaalsContact O-CB 3.3Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 3.38Å; R43-T46 PolarHBondContact O-OG1 3.36Å; P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 3.3Å; T46-R50 PolarHBondContact O-N 3.34Å
47	V	98.1	Very high	95.4	Very high	59 Å²	59	128.2 Å²	128.2	36%	0.358	60%	0.598	S	S	.	*	H	α-helix	trans	-74.4	-41.3	178.3	-179	0	0	0	0	110.5	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.98Å; Y42-V47 HydrophobicContact CG-CG2 4.09Å; G45-V47 PolarHBondContact O-N 3.37Å; V47-L49 PolarHBondContact O-N 3.16Å; V47-R50 WeakPolarHBondContact O-CA 3.38Å; V47-R50 WeakPolarHBondContact O-CB 3.44Å; V47-R50 PolarHBondContact O-N 3.46Å; V47-E51 HydrophobicContact CG1-CG 4.4Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.4Å; V47-E51 WeakPolarHBondContact O-CG 3.22Å; V47-E51 PolarHBondContact O-N 3.13Å
48	A	97.9	Very high	96.2	Very high	48 Å²	48	121 Å²	121	40%	0.397	57%	0.571	S	S	.	*	H	α-helix	trans	-58.1	-45.9	176.7	0	0	0	0	0	112.3	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.44Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.43Å; A48-E51 PolarHBondContact O-N 3.36Å; A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.28Å; A48-I52 PolarHBondContact O-N 3.23Å
49	L	98.3	Very high	96.9	Very high	95 Å²	95	118.6 Å²	118.6	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-63.9	-31.3	176	-71	173.6	0	0	0	112.9	G45 V47 R53	G45-L49 WeakPolarHBondContact O-CB 3.5Å; G45-L49 WeakPolarHBondContact O-CG 3.44Å; G45-L49 PolarHBondContact O-N 3.36Å; V47-L49 PolarHBondContact O-N 3.16Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.22Å; L49-R53 PolarHBondContact O-N 3.48Å
50	R	98.4	Very high	97.3	Very high	127 Å²	127	117.8 Å²	117.8	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-70.2	-41.9	174.9	-173.1	-174.6	-59.6	-178.2	-0.6	111.2	Y42 T46 V47 A48 R54	Y42-R50 VanDerWaalsContact CE1-NH2 3.28Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.35Å; Y42-R50 PolarHBondContact OH-NH1 3.36Å; Y42-R50 PolarHBondContact OH-NH2 2.9Å; T46-R50 PolarHBondContact O-N 3.34Å; V47-R50 WeakPolarHBondContact O-CA 3.38Å; V47-R50 WeakPolarHBondContact O-CB 3.44Å; V47-R50 PolarHBondContact O-N 3.46Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.43Å; R50-R54 WeakPolarHBondContact O-CB 3.37Å; R50-R54 PolarHBondContact O-N 3.46Å
51	E	98.1	Very high	97.5	Very high	94 Å²	94	114.1 Å²	114.1	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-45.8	176.9	-72.6	171	-179.5	0	0	111.4	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.4Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.4Å; V47-E51 WeakPolarHBondContact O-CG 3.22Å; V47-E51 PolarHBondContact O-N 3.13Å; A48-E51 PolarHBondContact O-N 3.36Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.27Å; E51-R54 WeakPolarHBondContact O-CB 3.43Å; E51-R54 PolarHBondContact O-N 2.98Å; E51-R54 VanDerWaalsContact O-N 3.11Å; E51-Y55 HydrophobicContact CB-CD2 4.28Å; E51-Y55 HydrophobicContact CB-CE2 4.06Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 PolarHBondContact O-N 3.45Å
52	I	98.1	Very high	97.6	Very high	85 Å²	85	108.1 Å²	108.1	44%	0.436	53%	0.529	S	S	.	.	H	α-helix	trans	-54.3	-51.5	175.7	-69	164.5	0	0	0	110.6	A48 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.28Å; A48-I52 PolarHBondContact O-N 3.23Å; I52-R54 VanDerWaalsContact C-N 3.31Å; I52-R54 PolarHBondContact O-N 3.36Å; I52-Y55 PolarHBondContact O-N 3.4Å; I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.45Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 3.36Å
53	R	98.4	Very high	97.7	Very high	173 Å²	173	106.1 Å²	106.1	65%	0.653	53%	0.525	S	S	*	.	H	α-helix	trans	-63.4	-36.4	178.9	-69.1	172.9	-168.1	163	2.7	113	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.22Å; L49-R53 PolarHBondContact O-N 3.48Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.27Å; R53-K57 PolarHBondContact O-N 3.08Å
54	R	98.1	Very high	97.8	Very high	151 Å²	151	106.2 Å²	106.2	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-52.4	176.8	177	-175.1	169.7	-178.1	-3.8	110	R50 E51 I52 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.37Å; R50-R54 PolarHBondContact O-N 3.46Å; E51-R54 WeakPolarHBondContact O-CB 3.43Å; E51-R54 PolarHBondContact O-N 2.98Å; E51-R54 VanDerWaalsContact O-N 3.11Å; I52-R54 VanDerWaalsContact C-N 3.31Å; I52-R54 PolarHBondContact O-N 3.36Å; R54-K57 PolarHBondContact O-N 2.92Å; R54-S58 PolarHBondContact O-N 2.99Å; R54-S58 PolarHBondContact O-OG 3.12Å; R54-E60 IonicContact NH2-OE1 3.81Å
55	Y	98.1	Very high	97.7	Very high	95 Å²	95	107.3 Å²	107.3	37%	0.373	52%	0.516	S	S	.	.	H	α-helix	trans	-71.4	-33	-174.4	-65.8	-50.8	0	0	0	113.1	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.28Å; E51-Y55 HydrophobicContact CB-CE2 4.06Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 PolarHBondContact O-N 3.45Å; I52-Y55 PolarHBondContact O-N 3.4Å; Y55-K57 PolarHBondContact O-N 3.49Å; Y55-S58 WeakPolarHBondContact CA-OG 3.34Å; Y55-S58 PolarHBondContact O-N 3Å; Y55-S58 PolarHBondContact O-OG 3.18Å; Y55-S58 VanDerWaalsContact O-OG 3.11Å; Y55-L62 HydrophobicContact CD1-CD1 4.48Å; Y55-L62 HydrophobicContact CD1-CD2 3.62Å; Y55-L62 HydrophobicContact CE1-CD2 3.65Å; Y55-L62 HydrophobicContact CG-CD2 4.43Å
56	Q	97.7	Very high	97.8	Very high	154 Å²	154	109.9 Å²	109.9	72%	0.72	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-23.9	171.9	-74.6	178.3	-23.2	0	0	113.6	I52	I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.45Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 3.36Å
57	K	98.1	Very high	97.8	Very high	190 Å²	190	110.8 Å²	110.8	83%	0.826	53%	0.527	S	S	*	.	H	α-helix	trans	-86.7	-23.2	178.9	-171.4	174.3	-179.8	-179.5	0	112.9	R53 R54 Y55	R53-K57 PolarHBondContact O-N 3.08Å; R54-K57 PolarHBondContact O-N 2.92Å; Y55-K57 PolarHBondContact O-N 3.49Å
58	S	97	Very high	97.8	Very high	42 Å²	42	108.8 Å²	108.8	29%	0.294	51%	0.513	S	S	.	.			trans	-100.1	158.7	-176.8	57.8	0	0	0	0	112.1	R54 Y55	R54-S58 PolarHBondContact O-N 2.99Å; R54-S58 PolarHBondContact O-OG 3.12Å; Y55-S58 WeakPolarHBondContact CA-OG 3.34Å; Y55-S58 PolarHBondContact O-N 3Å; Y55-S58 PolarHBondContact O-OG 3.18Å; Y55-S58 VanDerWaalsContact O-OG 3.11Å
59	T	96.8	Very high	97.8	Very high	147 Å²	147	109.9 Å²	109.9	90%	0.902	51%	0.511	S	S	*	.			trans	-116.8	20.3	172.6	55.6	0	0	0	0	112.3
60	E	96.8	Very high	97.8	Very high	102 Å²	102	113.3 Å²	113.3	48%	0.477	52%	0.517	S	S	.	.			trans	-70.3	140.9	177.2	65.7	-177.1	175.7	0	0	111.2	R54 L62	R54-E60 IonicContact NH2-OE1 3.81Å; E60-L62 HydrophobicContact CG-CD2 4.15Å
61	L	97.3	Very high	97.8	Very high	74 Å²	74	111.3 Å²	111.3	39%	0.387	52%	0.515	S	S	.	.			trans	-70.3	129.6	172.1	-63.2	175.7	0	0	0	109.6	Q94 E98	L61-Q94 HydrophobicContact CD1-CB 4.45Å; L61-Q94 HydrophobicContact CD1-CG 4.09Å; L61-E98 WeakPolarHBondContact CA-OE2 3.49Å
62	L	97.8	Very high	97.7	Very high	96 Å²	96	107.7 Å²	107.7	50%	0.503	50%	0.5	S	S	.	.			trans	-91.2	-26	-172.8	-58.5	-178.2	0	0	0	112.5	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD1 4.48Å; Y55-L62 HydrophobicContact CD1-CD2 3.62Å; Y55-L62 HydrophobicContact CE1-CD2 3.65Å; Y55-L62 HydrophobicContact CG-CD2 4.43Å; E60-L62 HydrophobicContact CG-CD2 4.15Å; L62-E98 PolarHBondContact N-OE1 3.04Å; L62-E98 PolarHBondContact N-OE2 2.91Å
63	I	97.8	Very high	97.7	Very high	64 Å²	64	108.2 Å²	108.2	33%	0.328	50%	0.496	S	S	.	.	S	Bend	trans	-81	134.9	176.9	-55.6	176.7	0	0	0	109.2	K65 F68 Q94 E98 L101	I63-K65 PolarHBondContact O-N 3.31Å; I63-F68 HydrophobicContact CG2-CB 3.97Å; I63-F68 HydrophobicContact CG2-CD2 4.21Å; I63-Q94 PolarHBondContact O-NE2 3.47Å; I63-E98 VanDerWaalsContact CB-OE1 3.28Å; I63-E98 WeakPolarHBondContact CB-OE1 3.36Å; I63-E98 HydrophobicContact CD1-CG 3.71Å; I63-E98 HydrophobicContact CG1-CG 3.92Å; I63-E98 PolarHBondContact N-OE1 3.42Å; I63-L101 HydrophobicContact CD1-CD1 4.48Å
64	R	98.3	Very high	97.6	Very high	208 Å²	208	106.2 Å²	106.2	79%	0.785	49%	0.494	S	S	*	.			trans	-63.4	129.2	176.9	-65.4	-173.9	-178.6	-153.2	1.8	110.2	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.04Å; R64-P67 HydrophobicContact CB-CG 3.95Å; R64-P67 WeakPolarHBondContact O-CD 3.33Å; R64-F68 PolarHBondContact O-N 2.94Å; R64-F68 VanDerWaalsContact O-N 3.16Å
65	K	96.6	Very high	97.6	Very high	154 Å²	154	103.2 Å²	103.2	67%	0.67	49%	0.489	S	S	*	.	H	α-helix	trans	-55.4	-47.3	-175.3	-66.7	-175.1	177.8	-174.4	0	114.2	I63 F68 Q69	I63-K65 PolarHBondContact O-N 3.31Å; K65-F68 PolarHBondContact O-N 2.91Å; K65-Q69 WeakPolarHBondContact O-CB 3.44Å; K65-Q69 PolarHBondContact O-N 3.43Å
66	L	97.4	Very high	97.6	Very high	95 Å²	95	99.4 Å²	99.4	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-67.9	-48.1	-175.1	176.4	65.6	0	0	0	113	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.04Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.35Å; L66-Q69 PolarHBondContact O-N 2.96Å; L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 3.27Å
67	P	98.3	Very high	97.5	Very high	74 Å²	74	96.5 Å²	96.5	48%	0.481	46%	0.463	S	S	.	.	H	α-helix	trans	-57.2	-44.1	171.4	-28.5	35.7	0	0	0	113.4	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.95Å; R64-P67 WeakPolarHBondContact O-CD 3.33Å; P67-Q69 PolarHBondContact O-N 3.34Å; P67-R70 PolarHBondContact O-N 2.92Å; P67-L71 PolarHBondContact O-N 3.46Å
68	F	98.4	Very high	97.5	Very high	16 Å²	16	94 Å²	94	7%	0.07	46%	0.458	C	S	.	.	H	α-helix	trans	-60.4	-45.8	177.8	-175	-94.1	0	0	0	111.7	I63 R64 K65 L66 R70 L71 V72 I90 L93 Q94	I63-F68 HydrophobicContact CG2-CB 3.97Å; I63-F68 HydrophobicContact CG2-CD2 4.21Å; R64-F68 PolarHBondContact O-N 2.94Å; R64-F68 VanDerWaalsContact O-N 3.16Å; K65-F68 PolarHBondContact O-N 2.91Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.35Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.13Å; F68-L71 PolarHBondContact O-N 2.94Å; F68-V72 HydrophobicContact CD1-CG2 3.95Å; F68-V72 HydrophobicContact CE1-CG2 3.46Å; F68-V72 VanDerWaalsContact CE1-CG2 3.46Å; F68-V72 HydrophobicContact CZ-CG2 3.82Å; F68-V72 WeakPolarHBondContact O-CG2 3.32Å; F68-V72 PolarHBondContact O-N 2.95Å; F68-I90 HydrophobicContact CD1-CG2 4.32Å; F68-L93 HydrophobicContact CE1-CB 4.08Å; F68-L93 HydrophobicContact CZ-CB 4.19Å; F68-Q94 HydrophobicContact CD1-CB 3.65Å; F68-Q94 HydrophobicContact CD1-CG 3.86Å; F68-Q94 HydrophobicContact CD2-CG 4.23Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 4Å; F68-Q94 HydrophobicContact CE2-CB 4.46Å; F68-Q94 HydrophobicContact CE2-CG 4.35Å; F68-Q94 HydrophobicContact CG-CB 4.3Å; F68-Q94 HydrophobicContact CG-CG 3.99Å; F68-Q94 HydrophobicContact CZ-CB 3.88Å; F68-Q94 HydrophobicContact CZ-CG 4.26Å
69	Q	97.8	Very high	97.4	Very high	72 Å²	72	100.2 Å²	100.2	34%	0.336	48%	0.481	S	S	.	.	H	α-helix	trans	-59.4	-40.2	176	178	-177	-38.5	0	0	112.5	K65 L66 P67 V72 R73 I90	K65-Q69 WeakPolarHBondContact O-CB 3.44Å; K65-Q69 PolarHBondContact O-N 3.43Å; L66-Q69 PolarHBondContact O-N 2.96Å; P67-Q69 PolarHBondContact O-N 3.34Å; Q69-V72 PolarHBondContact O-N 2.66Å; Q69-R73 WeakPolarHBondContact O-CG 3.32Å; Q69-R73 PolarHBondContact O-N 2.96Å; Q69-R73 VanDerWaalsContact O-N 3.16Å; Q69-I90 HydrophobicContact CB-CG2 4.15Å; Q69-I90 HydrophobicContact CG-CG2 4.41Å
70	R	98	Very high	97.4	Very high	166 Å²	166	99.7 Å²	99.7	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-63.1	-46.1	177.4	-73.2	176.3	179	-177.3	-1.7	110.8	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 3.27Å; P67-R70 PolarHBondContact O-N 2.92Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.13Å; R70-V72 PolarHBondContact O-N 3.28Å; R70-R73 PolarHBondContact O-N 3.42Å; R70-E74 WeakPolarHBondContact O-CB 3.38Å; R70-E74 PolarHBondContact O-N 3.1Å
71	L	98.3	Very high	97.3	Very high	85 Å²	85	98.7 Å²	98.7	45%	0.445	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-43.7	177.1	179.6	63.5	0	0	0	112.3	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 3.46Å; F68-L71 PolarHBondContact O-N 2.94Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.95Å; L71-E74 PolarHBondContact O-N 3.47Å; L71-I75 HydrophobicContact CD1-CD1 3.94Å; L71-I75 HydrophobicContact CD1-CG1 4.23Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 2.99Å
72	V	97.9	Very high	97.1	Very high	19 Å²	19	101.9 Å²	101.9	12%	0.115	48%	0.484	C	S	.	.	H	α-helix	trans	-59.7	-41.5	176.9	170	0	0	0	0	111.4	F68 Q69 R70 A76 F85 I90 L93	F68-V72 HydrophobicContact CD1-CG2 3.95Å; F68-V72 HydrophobicContact CE1-CG2 3.46Å; F68-V72 VanDerWaalsContact CE1-CG2 3.46Å; F68-V72 HydrophobicContact CZ-CG2 3.82Å; F68-V72 WeakPolarHBondContact O-CG2 3.32Å; F68-V72 PolarHBondContact O-N 2.95Å; Q69-V72 PolarHBondContact O-N 2.66Å; R70-V72 PolarHBondContact O-N 3.28Å; V72-A76 VanDerWaalsContact O-CB 3.22Å; V72-A76 WeakPolarHBondContact O-CB 3.43Å; V72-A76 PolarHBondContact O-N 3.3Å; V72-F85 HydrophobicContact CG1-CD1 4.37Å; V72-F85 HydrophobicContact CG1-CE1 3.91Å; V72-F85 HydrophobicContact CG1-CZ 4.19Å; V72-I90 HydrophobicContact CB-CD1 4.23Å; V72-I90 HydrophobicContact CG1-CD1 3.63Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.26Å
73	R	96.9	Very high	97	Very high	96 Å²	96	100.5 Å²	100.5	36%	0.362	48%	0.477	S	S	.	.	H	α-helix	trans	-71.9	-38.2	180	-71.1	176.3	-179.6	-79.9	-0.3	112.3	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.32Å; Q69-R73 PolarHBondContact O-N 2.96Å; Q69-R73 VanDerWaalsContact O-N 3.16Å; R70-R73 PolarHBondContact O-N 3.42Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.95Å; R73-A76 PolarHBondContact O-N 2.95Å; R73-Q77 WeakPolarHBondContact O-CB 3.37Å; R73-Q77 PolarHBondContact O-N 2.79Å; R73-F85 HydrophobicContact CG-CD2 4.22Å; R73-F85 HydrophobicContact CG-CE2 4.28Å
74	E	97.3	Very high	97	Very high	130 Å²	130	108.9 Å²	108.9	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-57.5	-54.3	173.4	-175.6	-177.9	153.1	0	0	110.7	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.38Å; R70-E74 PolarHBondContact O-N 3.1Å; L71-E74 PolarHBondContact O-N 3.47Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.83Å; E74-Q77 WeakPolarHBondContact O-CB 3.35Å; E74-Q77 PolarHBondContact O-N 3.35Å
75	I	97.5	Very high	96.9	Very high	89 Å²	89	101.6 Å²	101.6	46%	0.456	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-43	179.2	-65.3	168.4	0	0	0	111.2	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.94Å; L71-I75 HydrophobicContact CD1-CG1 4.23Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 2.99Å; I75-Q77 VanDerWaalsContact C-N 3.27Å; I75-Q77 PolarHBondContact O-N 3.26Å; I75-D78 WeakPolarHBondContact O-CB 3.3Å; I75-D78 PolarHBondContact O-N 2.99Å; I75-F79 HydrophobicContact CG2-CE2 3.98Å; I75-F79 WeakPolarHBondContact O-CD2 3.23Å
76	A	97.3	Very high	97	Very high	14 Å²	14	100.9 Å²	100.9	12%	0.116	48%	0.478	C	S	.	.	H	α-helix	trans	-66.3	-30	-178	0	0	0	0	0	113.4	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 VanDerWaalsContact O-CB 3.22Å; V72-A76 WeakPolarHBondContact O-CB 3.43Å; V72-A76 PolarHBondContact O-N 3.3Å; R73-A76 PolarHBondContact O-N 2.95Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.83Å; A76-D78 PolarHBondContact O-N 2.85Å; A76-F79 PolarHBondContact O-N 3.06Å; A76-F79 VanDerWaalsContact O-N 3.14Å; A76-K80 PolarHBondContact O-N 3.31Å; A76-K80 VanDerWaalsContact O-N 3.08Å; A76-L83 HydrophobicContact CB-CD1 4.1Å; A76-F85 HydrophobicContact CB-CE2 3.95Å; A76-F85 HydrophobicContact CB-CZ 3.47Å; A76-F85 VanDerWaalsContact CB-CZ 3.47Å
77	Q	96.6	Very high	96.9	Very high	93 Å²	93	101.4 Å²	101.4	44%	0.435	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-31.6	178	-170.6	69.9	16.7	0	0	111.9	R73 E74 I75 F79	R73-Q77 WeakPolarHBondContact O-CB 3.37Å; R73-Q77 PolarHBondContact O-N 2.79Å; E74-Q77 WeakPolarHBondContact O-CB 3.35Å; E74-Q77 PolarHBondContact O-N 3.35Å; I75-Q77 VanDerWaalsContact C-N 3.27Å; I75-Q77 PolarHBondContact O-N 3.26Å; Q77-F79 PolarHBondContact O-N 3.28Å
78	D	96.9	Very high	96.9	Very high	137 Å²	137	100.6 Å²	100.6	73%	0.733	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.2	177.4	-63.6	-22.6	0	0	0	112.8	I75 A76	I75-D78 WeakPolarHBondContact O-CB 3.3Å; I75-D78 PolarHBondContact O-N 2.99Å; A76-D78 PolarHBondContact O-N 2.85Å
79	F	95.8	Very high	96.8	Very high	174 Å²	174	101.6 Å²	101.6	76%	0.763	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-42.3	179.2	-64.4	-86	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.98Å; I75-F79 WeakPolarHBondContact O-CD2 3.23Å; A76-F79 PolarHBondContact O-N 3.06Å; A76-F79 VanDerWaalsContact O-N 3.14Å; Q77-F79 PolarHBondContact O-N 3.28Å
80	K	96.6	Very high	96.8	Very high	136 Å²	136	98.9 Å²	98.9	59%	0.591	49%	0.488	S	S	*	.			trans	-156	128.1	179.1	179.9	166.9	177.8	174.6	0	110.5	A76 L83	A76-K80 PolarHBondContact O-N 3.31Å; A76-K80 VanDerWaalsContact O-N 3.08Å; K80-L83 HydrophobicContact CB-CD1 4.02Å; K80-L83 HydrophobicContact CB-CD2 4.41Å; K80-L83 HydrophobicContact CB-CG 4.11Å; K80-L83 HydrophobicContact CD-CD2 3.99Å; K80-L83 HydrophobicContact CG-CD2 4.15Å; K80-L83 HydrophobicContact CG-CG 4.16Å; K80-L83 WeakPolarHBondContact O-CG 3.5Å
81	T	95	Very high	96.8	Very high	81 Å²	81	92.5 Å²	92.5	50%	0.497	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	154.8	175.9	66.8	0	0	0	0	111.3	L83	T81-L83 VanDerWaalsContact C-N 3.33Å; T81-L83 PolarHBondContact O-N 3.25Å
82	D	93	Very high	96.8	Very high	140 Å²	140	91.1 Å²	91.1	75%	0.749	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	28.9	172.2	-53	-50.5	0	0	0	115.7
83	L	95.9	Very high	96.8	Very high	68 Å²	68	93.8 Å²	93.8	36%	0.356	49%	0.488	S	S	.	.			trans	-70.9	131	172.8	-72.3	175.8	0	0	0	112.5	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.1Å; K80-L83 HydrophobicContact CB-CD1 4.02Å; K80-L83 HydrophobicContact CB-CD2 4.41Å; K80-L83 HydrophobicContact CB-CG 4.11Å; K80-L83 HydrophobicContact CD-CD2 3.99Å; K80-L83 HydrophobicContact CG-CD2 4.15Å; K80-L83 HydrophobicContact CG-CG 4.16Å; K80-L83 WeakPolarHBondContact O-CG 3.5Å; T81-L83 VanDerWaalsContact C-N 3.33Å; T81-L83 PolarHBondContact O-N 3.25Å; L83-F85 HydrophobicContact CB-CE2 3.93Å; L83-F85 HydrophobicContact CB-CZ 4.48Å
84	R	96.5	Very high	96.9	Very high	240 Å²	240	89.4 Å²	89.4	91%	0.906	47%	0.472	S	S	*	.			trans	-97.9	137.2	168.2	-64.9	-179.2	70.6	-170.6	2.4	109.6
85	F	97	Very high	96.9	Very high	55 Å²	55	85.5 Å²	85.5	24%	0.241	46%	0.462	C	S	.	.			trans	-112.2	132.4	179.8	-73.1	-94.5	0	0	0	110.6	V72 R73 A76 L83 I90	V72-F85 HydrophobicContact CG1-CD1 4.37Å; V72-F85 HydrophobicContact CG1-CE1 3.91Å; V72-F85 HydrophobicContact CG1-CZ 4.19Å; R73-F85 HydrophobicContact CG-CD2 4.22Å; R73-F85 HydrophobicContact CG-CE2 4.28Å; A76-F85 HydrophobicContact CB-CE2 3.95Å; A76-F85 HydrophobicContact CB-CZ 3.47Å; A76-F85 VanDerWaalsContact CB-CZ 3.47Å; L83-F85 HydrophobicContact CB-CE2 3.93Å; L83-F85 HydrophobicContact CB-CZ 4.48Å; F85-I90 HydrophobicContact CB-CD1 3.72Å; F85-I90 HydrophobicContact CB-CG1 3.95Å; F85-I90 HydrophobicContact CD1-CD1 3.57Å; F85-I90 HydrophobicContact CE1-CD1 4.35Å; F85-I90 HydrophobicContact CG-CD1 3.7Å; F85-I90 HydrophobicContact CG-CG1 4.47Å
86	Q	98.1	Very high	96.9	Very high	138 Å²	138	86 Å²	86	65%	0.645	47%	0.469	S	S	*	.			trans	-66.8	146.8	164.6	-170	179.3	-4.5	0	0	109.7	A88 A89 I90	Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 HydrophobicContact CG-CB 4.19Å; Q86-A88 PolarHBondContact O-N 3.43Å; Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 2.7Å; Q86-A89 VanDerWaalsContact O-N 3.13Å; Q86-I90 PolarHBondContact O-N 2.67Å
87	S	95.6	Very high	97	Very high	106 Å²	106	87.4 Å²	87.4	74%	0.741	48%	0.478	S	S	*	.	H	α-helix	trans	-58.1	-41	175.5	53.9	0	0	0	0	112.3	A89 I90 G91	S87-A89 VanDerWaalsContact C-N 3.32Å; S87-A89 PolarHBondContact O-N 3.02Å; S87-I90 PolarHBondContact O-N 3.32Å; S87-G91 PolarHBondContact O-N 3Å
88	A	97.6	Very high	97.1	Very high	57 Å²	57	84 Å²	84	47%	0.471	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-35.3	176.3	0	0	0	0	0	112.8	Q86 G91 A92	Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 HydrophobicContact CG-CB 4.19Å; Q86-A88 PolarHBondContact O-N 3.43Å; A88-G91 PolarHBondContact O-N 3.5Å; A88-A92 WeakPolarHBondContact O-CB 3.28Å; A88-A92 PolarHBondContact O-N 3.46Å
89	A	97.9	Very high	97.1	Very high	38 Å²	38	80.6 Å²	80.6	31%	0.314	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-44.2	177.8	0	0	0	0	0	111.5	Q86 S87 G91 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 2.7Å; Q86-A89 VanDerWaalsContact O-N 3.13Å; S87-A89 VanDerWaalsContact C-N 3.32Å; S87-A89 PolarHBondContact O-N 3.02Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 2.76Å; A89-A92 PolarHBondContact O-N 2.79Å; A89-L93 WeakPolarHBondContact O-CG 3.47Å; A89-L93 PolarHBondContact O-N 3.2Å
90	I	97.5	Very high	97.2	Very high	14 Å²	14	77 Å²	77	7%	0.072	44%	0.435	C	S	.	.	H	α-helix	trans	-62.6	-41.2	174.2	-57.1	-59.7	0	0	0	110.7	F68 Q69 V72 F85 Q86 S87 L93 Q94	F68-I90 HydrophobicContact CD1-CG2 4.32Å; Q69-I90 HydrophobicContact CB-CG2 4.15Å; Q69-I90 HydrophobicContact CG-CG2 4.41Å; V72-I90 HydrophobicContact CB-CD1 4.23Å; V72-I90 HydrophobicContact CG1-CD1 3.63Å; F85-I90 HydrophobicContact CB-CD1 3.72Å; F85-I90 HydrophobicContact CB-CG1 3.95Å; F85-I90 HydrophobicContact CD1-CD1 3.57Å; F85-I90 HydrophobicContact CE1-CD1 4.35Å; F85-I90 HydrophobicContact CG-CD1 3.7Å; F85-I90 HydrophobicContact CG-CG1 4.47Å; Q86-I90 PolarHBondContact O-N 2.67Å; S87-I90 PolarHBondContact O-N 3.32Å; I90-L93 PolarHBondContact O-N 3.39Å; I90-Q94 WeakPolarHBondContact O-CB 3.43Å; I90-Q94 PolarHBondContact O-N 2.67Å
91	G	97.9	Very high	97.3	Very high	33 Å²	33	73.7 Å²	73.7	34%	0.34	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-43.1	176.2	0	0	0	0	0	113.1	S87 A88 A89 Q94 A95	S87-G91 PolarHBondContact O-N 3Å; A88-G91 PolarHBondContact O-N 3.5Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 2.76Å; G91-Q94 PolarHBondContact O-N 2.71Å; G91-A95 WeakPolarHBondContact O-CB 3.21Å; G91-A95 PolarHBondContact O-N 3.31Å
92	A	98.3	Very high	97.4	Very high	55 Å²	55	73.5 Å²	73.5	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-48.3	176.8	0	0	0	0	0	111.5	A88 A89 Q94 A95 T96	A88-A92 WeakPolarHBondContact O-CB 3.28Å; A88-A92 PolarHBondContact O-N 3.46Å; A89-A92 PolarHBondContact O-N 2.79Å; A92-Q94 VanDerWaalsContact C-N 3.25Å; A92-Q94 PolarHBondContact O-N 2.92Å; A92-A95 PolarHBondContact O-N 2.95Å; A92-T96 PolarHBondContact O-N 3.47Å; A92-T96 PolarHBondContact O-OG1 3.35Å; A92-T96 VanDerWaalsContact O-OG1 3.1Å
93	L	98.3	Very high	97.7	Very high	75 Å²	75	67.7 Å²	67.7	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-56.7	-41.5	175.7	-71.8	171.2	0	0	0	111.6	F68 V72 A89 I90 S97	F68-L93 HydrophobicContact CE1-CB 4.08Å; F68-L93 HydrophobicContact CZ-CB 4.19Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.26Å; A89-L93 WeakPolarHBondContact O-CG 3.47Å; A89-L93 PolarHBondContact O-N 3.2Å; I90-L93 PolarHBondContact O-N 3.39Å; L93-S97 VanDerWaalsContact O-CB 3.23Å; L93-S97 WeakPolarHBondContact O-CB 3.29Å; L93-S97 PolarHBondContact O-N 3.29Å; L93-S97 PolarHBondContact O-OG 3.01Å
94	Q	98.3	Very high	97.8	Very high	5 Å²	5	65.1 Å²	65.1	2%	0.023	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-49.3	178.6	-167.5	173.6	-18.9	0	0	111.8	L61 I63 F68 I90 G91 A92 T96 S97 E98	L61-Q94 HydrophobicContact CD1-CB 4.45Å; L61-Q94 HydrophobicContact CD1-CG 4.09Å; I63-Q94 PolarHBondContact O-NE2 3.47Å; F68-Q94 HydrophobicContact CD1-CB 3.65Å; F68-Q94 HydrophobicContact CD1-CG 3.86Å; F68-Q94 HydrophobicContact CD2-CG 4.23Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 4Å; F68-Q94 HydrophobicContact CE2-CB 4.46Å; F68-Q94 HydrophobicContact CE2-CG 4.35Å; F68-Q94 HydrophobicContact CG-CB 4.3Å; F68-Q94 HydrophobicContact CG-CG 3.99Å; F68-Q94 HydrophobicContact CZ-CB 3.88Å; F68-Q94 HydrophobicContact CZ-CG 4.26Å; I90-Q94 WeakPolarHBondContact O-CB 3.43Å; I90-Q94 PolarHBondContact O-N 2.67Å; G91-Q94 PolarHBondContact O-N 2.71Å; A92-Q94 VanDerWaalsContact C-N 3.25Å; A92-Q94 PolarHBondContact O-N 2.92Å; Q94-T96 VanDerWaalsContact C-N 3.34Å; Q94-T96 PolarHBondContact O-N 2.81Å; Q94-S97 PolarHBondContact O-N 2.87Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 PolarHBondContact NE2-OE1 3.28Å; Q94-E98 WeakPolarHBondContact O-CG 3.47Å; Q94-E98 PolarHBondContact O-N 3.39Å
95	A	97.9	Very high	97.9	Very high	48 Å²	48	58.4 Å²	58.4	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-45.7	179.8	0	0	0	0	0	111.7	G91 A92 A99	G91-A95 WeakPolarHBondContact O-CB 3.21Å; G91-A95 PolarHBondContact O-N 3.31Å; A92-A95 PolarHBondContact O-N 2.95Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 3.27Å
96	T	98.1	Very high	97.9	Very high	99 Å²	99	61.4 Å²	61.4	61%	0.607	37%	0.374	S	S	*	.	H	α-helix	trans	-66.5	-41.5	178.1	-55.8	0	0	0	0	112	A92 Q94 A99 Y100	A92-T96 PolarHBondContact O-N 3.47Å; A92-T96 PolarHBondContact O-OG1 3.35Å; A92-T96 VanDerWaalsContact O-OG1 3.1Å; Q94-T96 VanDerWaalsContact C-N 3.34Å; Q94-T96 PolarHBondContact O-N 2.81Å; T96-A99 PolarHBondContact O-N 3.1Å; T96-Y100 WeakPolarHBondContact O-CB 3.49Å; T96-Y100 PolarHBondContact O-N 2.88Å
97	S	98.3	Very high	97.9	Very high	44 Å²	44	57.3 Å²	57.3	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-45.1	179.4	-60.4	0	0	0	0	111.8	L93 Q94 Y100 L101	L93-S97 VanDerWaalsContact O-CB 3.23Å; L93-S97 WeakPolarHBondContact O-CB 3.29Å; L93-S97 PolarHBondContact O-N 3.29Å; L93-S97 PolarHBondContact O-OG 3.01Å; Q94-S97 PolarHBondContact O-N 2.87Å; S97-Y100 PolarHBondContact O-N 3.02Å; S97-L101 VanDerWaalsContact O-CG 3.3Å; S97-L101 WeakPolarHBondContact O-CG 3.47Å; S97-L101 PolarHBondContact O-N 3.46Å
98	E	98.3	Very high	98.1	Very high	21 Å²	21	52.3 Å²	52.3	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-42.2	178.2	-70.6	-170.1	-151	0	0	111.8	L61 L62 I63 Q94 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.49Å; L62-E98 PolarHBondContact N-OE1 3.04Å; L62-E98 PolarHBondContact N-OE2 2.91Å; I63-E98 VanDerWaalsContact CB-OE1 3.28Å; I63-E98 WeakPolarHBondContact CB-OE1 3.36Å; I63-E98 HydrophobicContact CD1-CG 3.71Å; I63-E98 HydrophobicContact CG1-CG 3.92Å; I63-E98 PolarHBondContact N-OE1 3.42Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 PolarHBondContact NE2-OE1 3.28Å; Q94-E98 WeakPolarHBondContact O-CG 3.47Å; Q94-E98 PolarHBondContact O-N 3.39Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-Y100 PolarHBondContact O-N 3.45Å; E98-L101 PolarHBondContact O-N 3.02Å; E98-V102 VanDerWaalsContact O-CG2 3.31Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 2.74Å
99	A	98.1	Very high	98.1	Very high	66 Å²	66	52.9 Å²	52.9	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-44.5	175.5	0	0	0	0	0	112	A95 T96 V102 G103	A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 3.27Å; T96-A99 PolarHBondContact O-N 3.1Å; A99-V102 PolarHBondContact O-N 2.96Å; A99-G103 PolarHBondContact O-N 3.38Å
100	Y	97.8	Very high	98.1	Very high	98 Å²	98	56.3 Å²	56.3	38%	0.384	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-46.2	175.9	171	-97.7	0	0	0	112	T96 S97 E98 G103 L104 E134	T96-Y100 WeakPolarHBondContact O-CB 3.49Å; T96-Y100 PolarHBondContact O-N 2.88Å; S97-Y100 PolarHBondContact O-N 3.02Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-Y100 PolarHBondContact O-N 3.45Å; Y100-G103 PolarHBondContact O-N 3.3Å; Y100-L104 HydrophobicContact CE1-CD2 4.24Å; Y100-L104 WeakPolarHBondContact O-CB 3.46Å; Y100-L104 PolarHBondContact O-N 3.16Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.45Å; Y100-E134 PolarHBondContact OH-OE2 3.1Å
101	L	98.1	Very high	98.2	Very high	66 Å²	66	56.5 Å²	56.5	35%	0.346	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-41.1	179.2	-71.8	174.6	0	0	0	112.2	I63 S97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.48Å; S97-L101 VanDerWaalsContact O-CG 3.3Å; S97-L101 WeakPolarHBondContact O-CG 3.47Å; S97-L101 PolarHBondContact O-N 3.46Å; E98-L101 PolarHBondContact O-N 3.02Å; L101-L104 PolarHBondContact O-N 3.45Å; L101-F105 HydrophobicContact CB-CE2 4.4Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 WeakPolarHBondContact O-CG 3.33Å; L101-F105 PolarHBondContact O-N 3.5Å
102	V	98.1	Very high	98.2	Very high	77 Å²	77	55 Å²	55	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-51.1	175.2	170.6	0	0	0	0	110.2	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.31Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 2.74Å; A99-V102 PolarHBondContact O-N 2.96Å; V102-L104 VanDerWaalsContact C-N 3.3Å; V102-L104 PolarHBondContact O-N 2.88Å; V102-F105 PolarHBondContact O-N 3.49Å; V102-F105 VanDerWaalsContact O-N 3.1Å; V102-E106 WeakPolarHBondContact O-CG 3.04Å; V102-E106 PolarHBondContact O-N 3.39Å
103	G	97.7	Very high	98.2	Very high	18 Å²	18	57 Å²	57	19%	0.186	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-41.1	176.9	0	0	0	0	0	112.1	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.38Å; Y100-G103 PolarHBondContact O-N 3.3Å; G103-F105 VanDerWaalsContact C-N 3.33Å; G103-F105 PolarHBondContact O-N 2.89Å; G103-E106 WeakPolarHBondContact O-CB 3.31Å; G103-E106 PolarHBondContact O-N 3.27Å; G103-D107 PolarHBondContact O-N 3.27Å; G103-R132 PolarHBondContact O-NH2 3.15Å
104	L	98	Very high	98.2	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-38.3	176.1	-179.8	60.8	0	0	0	112.2	Y100 L101 V102 E106 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.24Å; Y100-L104 WeakPolarHBondContact O-CB 3.46Å; Y100-L104 PolarHBondContact O-N 3.16Å; L101-L104 PolarHBondContact O-N 3.45Å; V102-L104 VanDerWaalsContact C-N 3.3Å; V102-L104 PolarHBondContact O-N 2.88Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-D107 PolarHBondContact O-N 3.38Å; L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.49Å; L104-T108 PolarHBondContact O-N 2.88Å; L104-T108 PolarHBondContact O-OG1 3.19Å; L104-I125 HydrophobicContact CD2-CG2 4.19Å; L104-A128 HydrophobicContact CD1-CB 4.05Å; L104-R129 HydrophobicContact CD1-CG 3.82Å; L104-R129 HydrophobicContact CD2-CG 4.4Å
105	F	98.4	Very high	98.2	Very high	100 Å²	100	63.2 Å²	63.2	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-68.8	-31.4	176.1	-77.8	-55.7	0	0	0	113	L101 V102 G103 T108 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.4Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 WeakPolarHBondContact O-CG 3.33Å; L101-F105 PolarHBondContact O-N 3.5Å; V102-F105 PolarHBondContact O-N 3.49Å; V102-F105 VanDerWaalsContact O-N 3.1Å; G103-F105 VanDerWaalsContact C-N 3.33Å; G103-F105 PolarHBondContact O-N 2.89Å; F105-T108 PolarHBondContact O-N 3.18Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.31Å; F105-N109 PolarHBondContact O-N 3.41Å; F105-I120 HydrophobicContact CD1-CD1 3.79Å; F105-I120 HydrophobicContact CE1-CD1 3.91Å
106	E	98.2	Very high	98.2	Very high	117 Å²	117	70.6 Å²	70.6	55%	0.547	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-51.1	172.3	-69.9	173.5	172.9	0	0	110.9	V102 G103 L104 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.04Å; V102-E106 PolarHBondContact O-N 3.39Å; G103-E106 WeakPolarHBondContact O-CB 3.31Å; G103-E106 PolarHBondContact O-N 3.27Å; L104-E106 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 3.34Å; E106-N109 WeakPolarHBondContact O-CB 3.34Å; E106-N109 PolarHBondContact O-N 2.94Å; E106-L110 WeakPolarHBondContact O-CG 3.26Å; E106-L110 PolarHBondContact O-N 3.37Å
107	D	98.2	Very high	98.2	Very high	53 Å²	53	68.3 Å²	68.3	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-39.9	177.4	-72.8	-2.8	0	0	0	112.5	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.27Å; L104-D107 PolarHBondContact O-N 3.38Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 2.95Å; D107-L110 WeakPolarHBondContact O-CB 3.45Å; D107-L110 PolarHBondContact O-N 2.95Å; D107-C111 PolarHBondContact O-N 3.21Å; D107-C111 PolarHBondContact O-SG 3.41Å; D107-A128 HydrophobicContact CB-CB 3.84Å; D107-R132 VanDerWaalsContact CG-NH2 3.25Å; D107-R132 IonicContact OD1-NH2 3.56Å; D107-R132 IonicContact OD2-CZ 2.67Å; D107-R132 IonicContact OD2-NE 3.87Å; D107-R132 PolarHBondContact OD2-NE 3.43Å; D107-R132 IonicContact OD2-NH2 2.71Å; D107-R132 PolarHBondContact OD2-NH2 3.04Å
108	T	98.5	Very high	98.2	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-40.4	175.5	-60.1	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 3.49Å; L104-T108 PolarHBondContact O-N 2.88Å; L104-T108 PolarHBondContact O-OG1 3.19Å; F105-T108 PolarHBondContact O-N 3.18Å; E106-T108 PolarHBondContact O-N 3.34Å; T108-C111 WeakPolarHBondContact O-CB 3.17Å; T108-C111 PolarHBondContact O-N 3.04Å; T108-A112 PolarHBondContact O-N 3.41Å; T108-I120 HydrophobicContact CG2-CB 3.81Å; T108-I120 HydrophobicContact CG2-CD1 4.38Å; T108-I120 HydrophobicContact CG2-CG2 3.84Å; T108-D124 HydrophobicContact CG2-CB 3.6Å; T108-I125 HydrophobicContact CG2-CB 4.49Å; T108-I125 HydrophobicContact CG2-CG1 3.52Å
109	N	98.5	Very high	98.2	Very high	69 Å²	69	76.5 Å²	76.5	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-41.2	176.8	-174.3	49	0	0	0	111.5	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.31Å; F105-N109 PolarHBondContact O-N 3.41Å; E106-N109 WeakPolarHBondContact O-CB 3.34Å; E106-N109 PolarHBondContact O-N 2.94Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 2.95Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3.35Å; N109-A112 PolarHBondContact O-N 2.91Å; N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.41Å; N109-I113 PolarHBondContact O-N 3.2Å; N109-I120 HydrophobicContact CB-CG2 4.44Å
110	L	98.4	Very high	98.2	Very high	111 Å²	111	76.6 Å²	76.6	58%	0.581	40%	0.396	S	S	*	.	H	α-helix	trans	-60	-41.3	173.1	-65.5	177.3	0	0	0	111.9	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.26Å; E106-L110 PolarHBondContact O-N 3.37Å; D107-L110 WeakPolarHBondContact O-CB 3.45Å; D107-L110 PolarHBondContact O-N 2.95Å; L110-A112 PolarHBondContact O-N 2.91Å; L110-I113 PolarHBondContact O-N 3.05Å; L110-H114 WeakPolarHBondContact O-CB 3.36Å; L110-H114 PolarHBondContact O-N 3Å
111	C	98.2	Very high	98.2	Very high	18 Å²	18	75.5 Å²	75.5	12%	0.122	40%	0.395	C	S	.	.	H	α-helix	trans	-62.8	-41.4	175.2	-66.7	0	0	0	0	112.3	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.21Å; D107-C111 PolarHBondContact O-SG 3.41Å; T108-C111 WeakPolarHBondContact O-CB 3.17Å; T108-C111 PolarHBondContact O-N 3.04Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3.35Å; C111-H114 PolarHBondContact O-N 3.33Å; C111-A115 PolarHBondContact O-N 3.27Å; C111-A115 VanDerWaalsContact O-N 3.15Å; C111-D124 HydrophobicContact CB-CB 3.94Å; C111-L127 HydrophobicContact CB-CD2 4.28Å
112	A	98.5	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	-64.5	-44.5	176.6	0	0	0	0	0	111.8	T108 N109 L110 A115 K116 R117 I120	T108-A112 PolarHBondContact O-N 3.41Å; N109-A112 PolarHBondContact O-N 2.91Å; L110-A112 PolarHBondContact O-N 2.91Å; A112-A115 CarbonylContact O-C 3.32Å; A112-A115 PolarHBondContact O-N 2.95Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A112-K116 PolarHBondContact O-N 3.34Å; A112-R117 CarbonylContact C-O 3.43Å; A112-R117 PolarHBondContact O-N 3.38Å; A112-R117 VanDerWaalsContact O-O 3.13Å; A112-I120 HydrophobicContact CB-CG2 4.01Å
113	I	98.4	Very high	98.1	Very high	97 Å²	97	78.6 Å²	78.6	50%	0.497	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-42.9	177	-68.6	166.4	0	0	0	110.7	N109 L110 A115 K116 R117	N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.41Å; N109-I113 PolarHBondContact O-N 3.2Å; L110-I113 PolarHBondContact O-N 3.05Å; I113-A115 PolarHBondContact O-N 3.34Å; I113-K116 WeakPolarHBondContact O-CA 3.44Å; I113-K116 PolarHBondContact O-N 3.33Å; I113-R117 PolarHBondContact N-O 3.11Å
114	H	98.2	Very high	98.2	Very high	165 Å²	165	78 Å²	78	76%	0.764	40%	0.401	S	S	*	.	H	α-helix	trans	-56.8	-37.7	175.2	-177.4	76.6	0	0	0	111.7	L110 C111 K116	L110-H114 WeakPolarHBondContact O-CB 3.36Å; L110-H114 PolarHBondContact O-N 3Å; C111-H114 PolarHBondContact O-N 3.33Å; H114-K116 PolarHBondContact O-N 3.19Å
115	A	98.1	Very high	98.1	Very high	47 Å²	47	79.9 Å²	79.9	39%	0.388	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	17.7	174.6	0	0	0	0	0	114.5	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.27Å; C111-A115 VanDerWaalsContact O-N 3.15Å; A112-A115 CarbonylContact O-C 3.32Å; A112-A115 PolarHBondContact O-N 2.95Å; A112-A115 VanDerWaalsContact O-N 3.16Å; I113-A115 PolarHBondContact O-N 3.34Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 VanDerWaalsContact CB-NH2 3.25Å; A115-R117 PolarHBondContact O-N 2.89Å
116	K	98.3	Very high	98.1	Very high	203 Å²	203	80.3 Å²	80.3	88%	0.883	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	31.1	-180	-55	179.5	-178.4	178.1	0	114.3	A112 I113 H114	A112-K116 PolarHBondContact O-N 3.34Å; I113-K116 WeakPolarHBondContact O-CA 3.44Å; I113-K116 PolarHBondContact O-N 3.33Å; H114-K116 PolarHBondContact O-N 3.19Å
117	R	98.3	Very high	98	Very high	51 Å²	51	78.4 Å²	78.4	19%	0.192	41%	0.408	C	S	.	.			trans	-117.5	158.2	176.7	-71.7	176.6	-70.4	108.3	-1.6	111.2	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.43Å; A112-R117 PolarHBondContact O-N 3.38Å; A112-R117 VanDerWaalsContact O-O 3.13Å; I113-R117 PolarHBondContact N-O 3.11Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 VanDerWaalsContact CB-NH2 3.25Å; A115-R117 PolarHBondContact O-N 2.89Å; R117-T119 PolarHBondContact NH1-O 3.38Å; R117-K123 VanDerWaalsContact NH2-CE 3.32Å; R117-D124 IonicContact CZ-OD1 3.57Å; R117-D124 IonicContact CZ-OD2 3.66Å; R117-D124 IonicContact NH1-OD1 2.76Å; R117-D124 IonicContact NH1-OD2 2.7Å; R117-D124 PolarHBondContact NH1-OD2 3.11Å; R117-D124 IonicContact NH2-OD1 3.43Å; R117-D124 PolarHBondContact NH2-OD1 3.34Å; R117-D124 IonicContact NH2-OD2 3.6Å; R117-D124 PolarHBondContact NH2-OD2 3.32Å
118	V	97.4	Very high	97.9	Very high	136 Å²	136	76 Å²	76	82%	0.824	40%	0.395	S	S	*	.	S	Bend	trans	-104.6	-25.1	171.5	-176.1	0	0	0	0	111.5
119	T	98.1	Very high	97.9	Very high	101 Å²	101	80.9 Å²	80.9	62%	0.62	41%	0.414	S	S	*	.	S	Bend	trans	-89.3	120.4	178.3	-51.4	0	0	0	0	110.3	R117	R117-T119 PolarHBondContact NH1-O 3.38Å
120	I	98.2	Very high	97.8	Very high	68 Å²	68	85 Å²	85	35%	0.349	42%	0.424	S	S	.	.			trans	-67.9	145.9	171.9	60.7	170.8	0	0	0	111.2	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.79Å; F105-I120 HydrophobicContact CE1-CD1 3.91Å; T108-I120 HydrophobicContact CG2-CB 3.81Å; T108-I120 HydrophobicContact CG2-CD1 4.38Å; T108-I120 HydrophobicContact CG2-CG2 3.84Å; N109-I120 HydrophobicContact CB-CG2 4.44Å; A112-I120 HydrophobicContact CB-CG2 4.01Å
121	M	98.4	Very high	97.6	Very high	75 Å²	75	85.8 Å²	85.8	37%	0.369	43%	0.427	S	S	.	.			trans	-132.9	162.2	-177.9	-65.5	-178.9	176	0	0	110.7	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 3.99Å; M121-K123 PolarHBondContact O-N 3.32Å; M121-K123 VanDerWaalsContact O-N 3.13Å; M121-D124 PolarHBondContact N-OD2 2.71Å; M121-D124 WeakPolarHBondContact O-CB 3.3Å; M121-D124 PolarHBondContact O-N 3.41Å; M121-I125 PolarHBondContact O-N 3.39Å
122	P	98.1	Very high	97.5	Very high	93 Å²	93	88.8 Å²	88.8	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-54.7	-34.4	177.6	-28.4	36.1	0	0	0	114.1	D124 I125 Q126	P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 PolarHBondContact O-N 3.47Å; P122-I125 PolarHBondContact O-N 3.21Å; P122-Q126 VanDerWaalsContact O-CG 3.28Å; P122-Q126 WeakPolarHBondContact O-CG 3.48Å; P122-Q126 PolarHBondContact O-N 2.9Å
123	K	97.1	Very high	97.3	Very high	114 Å²	114	91.8 Å²	91.8	50%	0.496	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-30.4	175.4	64.4	179.3	179.7	-179.3	0	113.6	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.32Å; M121-K123 HydrophobicContact CB-CG 3.99Å; M121-K123 PolarHBondContact O-N 3.32Å; M121-K123 VanDerWaalsContact O-N 3.13Å; K123-L127 WeakPolarHBondContact O-CB 3.29Å; K123-L127 PolarHBondContact O-N 3.46Å
124	D	98.2	Very high	96.9	Very high	5 Å²	5	90.1 Å²	90.1	3%	0.027	46%	0.457	C	S	.	.	H	α-helix	trans	-72.4	-40.8	178.7	-56.2	-39.8	0	0	0	109.8	T108 C111 R117 M121 P122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.6Å; C111-D124 HydrophobicContact CB-CB 3.94Å; R117-D124 IonicContact CZ-OD1 3.57Å; R117-D124 IonicContact CZ-OD2 3.66Å; R117-D124 IonicContact NH1-OD1 2.76Å; R117-D124 IonicContact NH1-OD2 2.7Å; R117-D124 PolarHBondContact NH1-OD2 3.11Å; R117-D124 IonicContact NH2-OD1 3.43Å; R117-D124 PolarHBondContact NH2-OD1 3.34Å; R117-D124 IonicContact NH2-OD2 3.6Å; R117-D124 PolarHBondContact NH2-OD2 3.32Å; M121-D124 PolarHBondContact N-OD2 2.71Å; M121-D124 WeakPolarHBondContact O-CB 3.3Å; M121-D124 PolarHBondContact O-N 3.41Å; P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 PolarHBondContact O-N 3.47Å; D124-L127 PolarHBondContact O-N 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.38Å; D124-A128 PolarHBondContact O-N 3.02Å
125	I	97.5	Very high	95.7	Very high	55 Å²	55	88.2 Å²	88.2	28%	0.282	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-45.8	174.5	-61.1	175.3	0	0	0	110.1	L104 T108 M121 P122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.19Å; T108-I125 HydrophobicContact CG2-CB 4.49Å; T108-I125 HydrophobicContact CG2-CG1 3.52Å; M121-I125 PolarHBondContact O-N 3.39Å; P122-I125 PolarHBondContact O-N 3.21Å; I125-L127 VanDerWaalsContact C-N 3.29Å; I125-L127 PolarHBondContact O-N 3.27Å; I125-A128 PolarHBondContact O-N 2.98Å; I125-R129 HydrophobicContact CG2-CG 4.42Å; I125-R129 WeakPolarHBondContact O-CB 3.3Å; I125-R129 WeakPolarHBondContact O-CG 3.33Å; I125-R129 PolarHBondContact O-N 3.1Å
126	Q	96.8	Very high	93.6	Very high	108 Å²	108	93.8 Å²	93.8	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-38.2	178.7	-72.1	171.1	3.6	0	0	112.1	P122 R130	P122-Q126 VanDerWaalsContact O-CG 3.28Å; P122-Q126 WeakPolarHBondContact O-CG 3.48Å; P122-Q126 PolarHBondContact O-N 2.9Å; Q126-R130 WeakPolarHBondContact O-CB 3.46Å; Q126-R130 PolarHBondContact O-N 2.69Å; Q126-R130 VanDerWaalsContact O-N 3.08Å
127	L	96.5	Very high	93.4	Very high	78 Å²	78	88.3 Å²	88.3	41%	0.408	47%	0.47	S	S	.	.	H	α-helix	trans	-68.2	-48.5	176	179.9	60	0	0	0	111.2	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.28Å; K123-L127 WeakPolarHBondContact O-CB 3.29Å; K123-L127 PolarHBondContact O-N 3.46Å; D124-L127 PolarHBondContact O-N 3.31Å; I125-L127 VanDerWaalsContact C-N 3.29Å; I125-L127 PolarHBondContact O-N 3.27Å; L127-R129 PolarHBondContact O-N 3.49Å; L127-R130 WeakPolarHBondContact O-CB 3.49Å; L127-R130 PolarHBondContact O-N 3.11Å; L127-R130 VanDerWaalsContact O-N 3.12Å; L127-I131 HydrophobicContact CD1-CD1 3.98Å; L127-I131 HydrophobicContact CD1-CG1 4.3Å; L127-I131 HydrophobicContact CG-CD1 4.01Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 3.12Å
128	A	97.1	Very high	93.1	Very high	2 Å²	2	90.3 Å²	90.3	2%	0.017	48%	0.484	C	S	.	.	H	α-helix	trans	-56	-50.9	177.4	0	0	0	0	0	111.4	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.05Å; D107-A128 HydrophobicContact CB-CB 3.84Å; D124-A128 WeakPolarHBondContact O-CB 3.38Å; D124-A128 PolarHBondContact O-N 3.02Å; I125-A128 PolarHBondContact O-N 2.98Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.38Å; A128-I131 PolarHBondContact O-N 2.93Å; A128-R132 WeakPolarHBondContact O-CG 3.42Å; A128-R132 PolarHBondContact O-N 3.17Å
129	R	96.8	Very high	92.9	Very high	103 Å²	103	87.7 Å²	87.7	39%	0.389	47%	0.466	S	S	.	.	H	α-helix	trans	-60.2	-36.5	176.3	-70.8	-173.4	62.6	-155.7	-7.8	113.2	L104 I125 L127 R132 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.82Å; L104-R129 HydrophobicContact CD2-CG 4.4Å; I125-R129 HydrophobicContact CG2-CG 4.42Å; I125-R129 WeakPolarHBondContact O-CB 3.3Å; I125-R129 WeakPolarHBondContact O-CG 3.33Å; I125-R129 PolarHBondContact O-N 3.1Å; L127-R129 PolarHBondContact O-N 3.49Å; R129-R132 PolarHBondContact O-N 3.45Å; R129-G133 PolarHBondContact O-N 3.48Å; R129-E134 HydrophobicContact CB-CB 4.46Å; R129-E134 PolarHBondContact NH2-O 3.22Å; R129-E134 PolarHBondContact O-N 3.34Å
130	R	96.4	Very high	92.5	Very high	155 Å²	155	86.9 Å²	86.9	59%	0.585	46%	0.456	S	S	*	.	H	α-helix	trans	-64.7	-43.9	176.9	-178.8	171	-173.3	143.3	4.5	111.3	Q126 L127 A128 R132 G133 R135	Q126-R130 WeakPolarHBondContact O-CB 3.46Å; Q126-R130 PolarHBondContact O-N 2.69Å; Q126-R130 VanDerWaalsContact O-N 3.08Å; L127-R130 WeakPolarHBondContact O-CB 3.49Å; L127-R130 PolarHBondContact O-N 3.11Å; L127-R130 VanDerWaalsContact O-N 3.12Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.38Å; R130-R132 VanDerWaalsContact C-N 3.34Å; R130-G133 PolarHBondContact O-N 3.16Å; R130-R135 HydrophobicContact CB-CG 4.44Å
131	I	95.7	Very high	92.2	Very high	128 Å²	128	88.1 Å²	88.1	66%	0.656	46%	0.463	S	S	*	.	H	α-helix	trans	-67.8	-37.2	179.7	-66	168.5	0	0	0	110.8	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.98Å; L127-I131 HydrophobicContact CD1-CG1 4.3Å; L127-I131 HydrophobicContact CG-CD1 4.01Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 3.12Å; A128-I131 PolarHBondContact O-N 2.93Å; I131-G133 PolarHBondContact O-N 3.22Å
132	R	95.5	Very high	91.8	Very high	80 Å²	80	89 Å²	89	30%	0.302	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.8	175.2	-69.9	-178.2	177.2	-158.9	-8.3	114.8	G103 D107 A128 R129 R130 E134	G103-R132 PolarHBondContact O-NH2 3.15Å; D107-R132 VanDerWaalsContact CG-NH2 3.25Å; D107-R132 IonicContact OD1-NH2 3.56Å; D107-R132 IonicContact OD2-CZ 2.67Å; D107-R132 IonicContact OD2-NE 3.87Å; D107-R132 PolarHBondContact OD2-NE 3.43Å; D107-R132 IonicContact OD2-NH2 2.71Å; D107-R132 PolarHBondContact OD2-NH2 3.04Å; A128-R132 WeakPolarHBondContact O-CG 3.42Å; A128-R132 PolarHBondContact O-N 3.17Å; R129-R132 PolarHBondContact O-N 3.45Å; R130-R132 VanDerWaalsContact C-N 3.34Å; R132-E134 VanDerWaalsContact C-N 3.29Å; R132-E134 HydrophobicContact CB-CB 4.49Å; R132-E134 HydrophobicContact CB-CG 3.8Å; R132-E134 WeakPolarHBondContact CD-OE1 3.44Å; R132-E134 IonicContact NH1-OE1 3.13Å
133	G	94.3	Very high	91.3	Very high	64 Å²	64	88.7 Å²	88.7	66%	0.66	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	15.6	-173.5	0	0	0	0	0	114	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.48Å; R130-G133 PolarHBondContact O-N 3.16Å; I131-G133 PolarHBondContact O-N 3.22Å; G133-R135 PolarHBondContact O-N 3.15Å
134	E	89.6	Confident	90.9	Very high	61 Å²	61	86.8 Å²	86.8	29%	0.285	46%	0.457	S	S	.	.			trans	-87.9	14.3	-179.5	-63.7	167.9	176.2	0	0	112.8	Y100 R129 R132	Y100-E134 WeakPolarHBondContact CE2-OE1 3.45Å; Y100-E134 PolarHBondContact OH-OE2 3.1Å; R129-E134 HydrophobicContact CB-CB 4.46Å; R129-E134 PolarHBondContact NH2-O 3.22Å; R129-E134 PolarHBondContact O-N 3.34Å; R132-E134 VanDerWaalsContact C-N 3.29Å; R132-E134 HydrophobicContact CB-CB 4.49Å; R132-E134 HydrophobicContact CB-CG 3.8Å; R132-E134 WeakPolarHBondContact CD-OE1 3.44Å; R132-E134 IonicContact NH1-OE1 3.13Å
135	R	72.6	Confident	90.3	Very high	125 Å²	125	93.6 Å²	93.6	47%	0.472	49%	0.493	S	S	.	.			trans	-81.1	122.2	173.8	-95.6	-171.1	177.6	-164.8	-5.2	109.7	R130 G133	R130-R135 HydrophobicContact CB-CG 4.44Å; G133-R135 PolarHBondContact O-N 3.15Å
136	A	54.6	Low	89.6	Confident	164 Å²	164	97.1 Å²	97.1	100%	1.355	51%	0.512	S	S	*	.			trans	-64.6	0	141.5	0	0	0	0	0	109.3

Retrieved 136 of 136 residues in 377.6 ms (Link to these results)

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