A0A077ZKR5_TRITR Loading...

Histone H3

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

AlphaFold DB , UniProt , Accession A0A077ZKR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZKR5_TRITR|A0A077ZKR5
MARTKQTARKSTGGKAPRKQLATKAARKSAPSVGAVKKPHRYRPGTVALREIRRYQKSTELLMRRLPFQRLVREIAQDFKADLRFQMSAVLALQEATEAYMVGLFEDTNLCAIHARRVTIMAKDIQLARRIRGERA
					

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	47.6	Very low	62.1	Low	253 Å²	253	175.5 Å²	175.5	100%	1.246	90%	0.9	S	S	*	*				0	106.6	0	-87.2	176.2	173.8	0	0	109.2
2	A	61.4	Low	62	Low	103 Å²	103	171.1 Å²	171.1	85%	0.851	89%	0.888	S	S	*	*			trans	-97.7	116.5	176.1	0	0	0	0	0	109.7	T4	A2-T4 PolarHBondContact O-N 2.69Å
3	R	60.3	Low	61.3	Low	255 Å²	255	164.9 Å²	164.9	96%	0.962	89%	0.892	S	S	*	*			trans	-76.3	112.6	-178.4	-126.4	-179.8	-178.9	-179	0.2	109.7	K5	R3-K5 PolarHBondContact O-N 2.98Å
4	T	70.2	Confident	61.3	Low	133 Å²	133	157.9 Å²	157.9	82%	0.816	88%	0.877	S	S	*	*			trans	-74.7	115.8	169.8	40.7	0	0	0	0	109.7	A2 Q6	A2-T4 PolarHBondContact O-N 2.69Å; T4-Q6 PolarHBondContact O-N 3.27Å
5	K	69.1	Low	61.2	Low	206 Å²	206	161.3 Å²	161.3	90%	0.896	88%	0.879	S	S	*	*			trans	-68.9	97.5	171.5	-110.3	178.7	176.7	176.3	0	108.6	R3 T7	R3-K5 PolarHBondContact O-N 2.98Å; K5-T7 PolarHBondContact O-N 3.3Å
6	Q	66.5	Low	61.2	Low	190 Å²	190	156.8 Å²	156.8	89%	0.888	87%	0.87	S	S	*	*			trans	-64	115.3	162.4	-86.6	-175.8	-10	0	0	108.6	T4	T4-Q6 PolarHBondContact O-N 3.27Å
7	T	65.1	Low	61.2	Low	130 Å²	130	155.4 Å²	155.4	80%	0.798	87%	0.87	S	S	*	*			trans	-84	118.6	166.9	46.5	0	0	0	0	109	K5 R9	K5-T7 PolarHBondContact O-N 3.3Å; T7-R9 PolarHBondContact O-N 3.2Å; T7-R9 VanDerWaalsContact O-N 3.15Å
8	A	62.1	Low	61.2	Low	100 Å²	100	160.4 Å²	160.4	83%	0.826	87%	0.873	S	S	*	*			trans	-65.2	109.3	177.8	0	0	0	0	0	110.6	K10	A8-K10 PolarHBondContact O-N 2.96Å
9	R	62.3	Low	60.8	Low	248 Å²	248	162.8 Å²	162.8	94%	0.936	87%	0.874	S	S	*	*			trans	-78.5	111.9	164.4	-104	-178.6	165.1	-176.1	-2.8	108.4	T7 S11	T7-R9 PolarHBondContact O-N 3.2Å; T7-R9 VanDerWaalsContact O-N 3.15Å; R9-S11 PolarHBondContact O-N 3.28Å
10	K	58.4	Low	60.2	Low	189 Å²	189	164.2 Å²	164.2	82%	0.822	88%	0.875	S	S	*	*			trans	-58.3	133	172.2	-69.8	-177.3	178.3	-178.4	0	110	A8 T12	A8-K10 PolarHBondContact O-N 2.96Å; K10-T12 PolarHBondContact O-N 3.12Å; K10-T12 VanDerWaalsContact O-N 3.16Å
11	S	60.2	Low	60.1	Low	123 Å²	123	164.3 Å²	164.3	86%	0.86	88%	0.875	S	S	*	*	S	Bend	trans	-77.1	13.6	-169.6	41.4	0	0	0	0	115.6	R9	R9-S11 PolarHBondContact O-N 3.28Å
12	T	61.1	Low	60.7	Low	123 Å²	123	156.7 Å²	156.7	76%	0.755	85%	0.852	S	S	*	*			trans	-123.9	72.8	-178.5	42.4	0	0	0	0	111	K10 G14	K10-T12 PolarHBondContact O-N 3.12Å; K10-T12 VanDerWaalsContact O-N 3.16Å; T12-G14 PolarHBondContact O-N 3.46Å
13	G	52.3	Low	60.2	Low	91 Å²	91	158.7 Å²	158.7	94%	0.938	85%	0.854	S	S	*	*			trans	-76.9	63.1	174.8	0	0	0	0	0	112.9
14	G	61.4	Low	60	Low	66 Å²	66	156 Å²	156	68%	0.68	85%	0.85	S	S	*	*			trans	-101.8	130.8	167.4	0	0	0	0	0	109.7	T12	T12-G14 PolarHBondContact O-N 3.46Å
15	K	60.5	Low	59.3	Low	209 Å²	209	154.9 Å²	154.9	91%	0.909	85%	0.853	S	S	*	*			trans	-41.9	138.2	-171.1	-68.6	176.9	176.4	174.1	0	114.7
16	A	61.5	Low	58.5	Low	90 Å²	90	149.4 Å²	149.4	74%	0.744	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-57	139.4	174.9	0	0	0	0	0	112.4	R18	A16-R18 PolarHBondContact O-N 3.32Å
17	P	60.4	Low	58	Low	132 Å²	132	151.5 Å²	151.5	86%	0.857	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-75	124.2	-179	29.7	-31.8	0	0	0	110.4
18	R	61.1	Low	57.5	Low	247 Å²	247	155.4 Å²	155.4	93%	0.932	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-101.5	132.5	175.4	-111.5	-179.6	175.4	-177.8	-2.4	110.4	A16	A16-R18 PolarHBondContact O-N 3.32Å
19	K	53.5	Low	57.1	Low	206 Å²	206	155.9 Å²	155.9	90%	0.896	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-47.5	139	174.3	-92.1	177.1	168.9	179.6	0	112.5
20	Q	49.2	Very low	57.1	Low	189 Å²	189	147.3 Å²	147.3	88%	0.883	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.6	124.5	177.1	-64.5	176.7	3.3	0	0	111
21	L	57.2	Low	57	Low	167 Å²	167	143.4 Å²	143.4	87%	0.874	83%	0.826	S	S	*	*			trans	-158.8	120.1	159.1	-98.4	127.2	0	0	0	109.7
22	A	60.2	Low	57.1	Low	94 Å²	94	143.3 Å²	143.3	78%	0.777	83%	0.825	S	S	*	*			trans	58	115.1	154.4	0	0	0	0	0	120.3	K24	A22-K24 PolarHBondContact O-N 3.43Å
23	T	50.7	Low	56.9	Low	145 Å²	145	143.8 Å²	143.8	89%	0.89	83%	0.827	S	S	*	*			trans	-45.3	116	163.8	43	0	0	0	0	114.8
24	K	56	Low	57.6	Low	199 Å²	199	142 Å²	142	87%	0.865	81%	0.809	S	S	*	*			trans	-154.7	125.6	148.1	-113.9	174.2	-177.9	177.1	0	107.6	A22 A26	A22-K24 PolarHBondContact O-N 3.43Å; K24-A26 PolarHBondContact O-N 2.87Å
25	A	57.5	Low	58	Low	108 Å²	108	144 Å²	144	89%	0.893	82%	0.819	S	S	*	*			trans	-67.4	72.1	-179.2	0	0	0	0	0	111.5	R27	A25-R27 PolarHBondContact O-N 3.5Å; A25-R27 VanDerWaalsContact O-N 3.1Å
26	A	51.9	Low	58.5	Low	92 Å²	92	139.2 Å²	139.2	76%	0.76	81%	0.807	S	S	*	*			trans	-82.2	81.4	174.8	0	0	0	0	0	109.4	K24 K28	K24-A26 PolarHBondContact O-N 2.87Å; A26-K28 PolarHBondContact O-N 3.45Å
27	R	56.2	Low	59.4	Low	234 Å²	234	144.3 Å²	144.3	88%	0.883	81%	0.813	S	S	*	*			trans	-63.6	101.8	166.6	-75	-178.6	177.6	176.6	0.1	108.6	A25 S29	A25-R27 PolarHBondContact O-N 3.5Å; A25-R27 VanDerWaalsContact O-N 3.1Å; R27-S29 PolarHBondContact O-N 3.45Å
28	K	54.7	Low	60.4	Low	212 Å²	212	147.5 Å²	147.5	92%	0.922	81%	0.813	S	S	*	*			trans	19.5	66.2	157.9	-70.5	179.1	175.5	173.7	0	115.8	A26	A26-K28 PolarHBondContact O-N 3.45Å
29	S	53.5	Low	61.7	Low	109 Å²	109	141.3 Å²	141.3	76%	0.762	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.5	126.7	148.5	46	0	0	0	0	106.7	R27	R27-S29 PolarHBondContact O-N 3.45Å
30	A	61	Low	63.5	Low	69 Å²	69	138.6 Å²	138.6	57%	0.57	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-58	147.6	-178.6	0	0	0	0	0	110.4	S32	A30-S32 PolarHBondContact O-N 3.08Å
31	P	57.5	Low	65.6	Low	106 Å²	106	140.1 Å²	140.1	69%	0.688	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-55.5	128.1	173.8	23.5	-31.5	0	0	0	109	V33	P31-V33 PolarHBondContact O-N 3.47Å
32	S	60.8	Low	67.4	Low	122 Å²	122	137.8 Å²	137.8	85%	0.853	77%	0.773	S	S	*	*	S	Bend	trans	-69.5	11.4	-175.2	63.6	0	0	0	0	114.3	A30	A30-S32 PolarHBondContact O-N 3.08Å
33	V	58.2	Low	69	Low	132 Å²	132	143.2 Å²	143.2	80%	0.8	77%	0.774	S	S	*	*	S	Bend	trans	-144.8	80.3	-175.6	-165.1	0	0	0	0	108.4	P31	P31-V33 PolarHBondContact O-N 3.47Å
34	G	66.4	Low	71.2	Confident	54 Å²	54	142.5 Å²	142.5	56%	0.557	77%	0.771	S	S	*	*	S	Bend	trans	167.8	140.4	177.7	0	0	0	0	0	111.2	V36	G34-V36 PolarHBondContact O-N 3.02Å
35	A	69	Low	73.1	Confident	107 Å²	107	134.9 Å²	134.9	88%	0.884	75%	0.75	S	S	*	*			trans	-51.8	108.6	179.1	0	0	0	0	0	110.3	K37	A35-K37 PolarHBondContact O-N 2.86Å; A35-K37 VanDerWaalsContact O-N 3.1Å
36	V	72.3	Confident	75.1	Confident	110 Å²	110	132.6 Å²	132.6	67%	0.667	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-56.3	119.2	175	178.1	0	0	0	0	107	G34 K38	G34-V36 PolarHBondContact O-N 3.02Å; V36-K38 PolarHBondContact O-N 3.45Å; V36-K38 VanDerWaalsContact O-N 3.14Å
37	K	79.1	Confident	77.2	Confident	197 Å²	197	130.5 Å²	130.5	86%	0.857	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-52.4	126.1	173.2	-76.1	-171.7	176.3	-175	0	107.7	A35 P39	A35-K37 PolarHBondContact O-N 2.86Å; A35-K37 VanDerWaalsContact O-N 3.1Å; K37-P39 VanDerWaalsContact O-N 3.16Å
38	K	83.4	Confident	79.2	Confident	199 Å²	199	121.6 Å²	121.6	87%	0.865	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-47.2	124.7	178.7	-71.4	-178.4	179.4	-179.8	0	108.9	V36 H40	V36-K38 PolarHBondContact O-N 3.45Å; V36-K38 VanDerWaalsContact O-N 3.14Å; K38-H40 PolarHBondContact O-N 3.09Å
39	P	87.6	Confident	81.2	Confident	116 Å²	116	116.1 Å²	116.1	75%	0.753	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-53.2	135.3	176.8	-26.7	34.2	0	0	0	110.3	K37 R41	K37-P39 VanDerWaalsContact O-N 3.16Å; P39-R41 PolarHBondContact O-N 3.32Å
40	H	90.7	Very high	83.4	Confident	149 Å²	149	116.5 Å²	116.5	69%	0.69	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-64.1	124	176.6	173	-84.5	0	0	0	109.7	K38 Y42	K38-H40 PolarHBondContact O-N 3.09Å; H40-Y42 AromaticContact CE1-CD1 3.83Å; H40-Y42 AromaticContact CE1-CE1 3.73Å; H40-Y42 AromaticContact CE1-CZ 3.91Å
41	R	93.1	Very high	85.1	Confident	221 Å²	221	117.5 Å²	117.5	83%	0.834	64%	0.637	S	S	*	*			trans	-120	127.2	175.5	-171.6	175.1	178.4	175.4	0.9	109.7	P39	P39-R41 PolarHBondContact O-N 3.32Å
42	Y	94.6	Very high	87	Confident	119 Å²	119	116.6 Å²	116.6	47%	0.467	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-64.5	147.4	170.9	-70	-74.5	0	0	0	110.6	H40 T46 V47	H40-Y42 AromaticContact CE1-CD1 3.83Å; H40-Y42 AromaticContact CE1-CE1 3.73Å; H40-Y42 AromaticContact CE1-CZ 3.91Å; Y42-T46 HydrophobicContact CD1-CG2 3.76Å; Y42-T46 HydrophobicContact CG-CG2 4.38Å; Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4.02Å
43	R	95.7	Very high	88.8	Confident	208 Å²	208	118.7 Å²	118.7	79%	0.785	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-64.5	148.2	173.1	-64.5	-175.8	177.4	-164.8	-0.8	109.8	G45 T46	R43-G45 PolarHBondContact O-N 3.36Å; R43-T46 VanDerWaalsContact O-CB 3.31Å; R43-T46 WeakPolarHBondContact O-CB 3.03Å; R43-T46 PolarHBondContact O-N 3.22Å; R43-T46 PolarHBondContact O-OG1 3.37Å
44	P	96.5	Very high	90.7	Very high	129 Å²	129	119.4 Å²	119.4	84%	0.838	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	138.9	170.8	-25.1	34.7	0	0	0	110.7	T46	P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.48Å
45	G	96.3	Very high	92.2	Very high	40 Å²	40	121.4 Å²	121.4	41%	0.412	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.2	-25.8	-174.6	0	0	0	0	0	115.4	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 3.36Å; G45-V47 PolarHBondContact O-N 2.97Å; G45-A48 PolarHBondContact O-N 3.45Å; G45-L49 WeakPolarHBondContact O-CG 3.41Å; G45-L49 PolarHBondContact O-N 3.5Å
46	T	97.7	Very high	93.5	Very high	59 Å²	59	123.5 Å²	123.5	36%	0.362	59%	0.585	S	S	.	*	H	α-helix	trans	-63.4	-42.7	179.7	-55.9	0	0	0	0	112.3	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.76Å; Y42-T46 HydrophobicContact CG-CG2 4.38Å; R43-T46 VanDerWaalsContact O-CB 3.31Å; R43-T46 WeakPolarHBondContact O-CB 3.03Å; R43-T46 PolarHBondContact O-N 3.22Å; R43-T46 PolarHBondContact O-OG1 3.37Å; P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.48Å; T46-R50 PolarHBondContact O-N 2.97Å
47	V	97.5	Very high	94.7	Very high	48 Å²	48	127.1 Å²	127.1	29%	0.291	59%	0.592	S	S	.	*	H	α-helix	trans	-71.5	-42.4	178.1	-178.5	0	0	0	0	110.6	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4.02Å; G45-V47 PolarHBondContact O-N 2.97Å; V47-L49 PolarHBondContact O-N 3.05Å; V47-R50 WeakPolarHBondContact O-CB 3.28Å; V47-R50 PolarHBondContact O-N 3.45Å; V47-R50 VanDerWaalsContact O-N 3.1Å; V47-E51 HydrophobicContact CG1-CG 4.43Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.37Å; V47-E51 WeakPolarHBondContact O-CG 3.31Å; V47-E51 PolarHBondContact O-N 2.97Å
48	A	97.4	Very high	95.6	Very high	47 Å²	47	119.7 Å²	119.7	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-58.7	-47.1	177.9	0	0	0	0	0	112.2	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.45Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.29Å; A48-E51 PolarHBondContact O-N 3.47Å; A48-I52 VanDerWaalsContact O-CG1 3.29Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 3.46Å
49	L	97.8	Very high	96.2	Very high	98 Å²	98	117.3 Å²	117.3	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-32.1	176.7	-72.1	174.5	0	0	0	112.9	G45 V47 I52 R53	G45-L49 WeakPolarHBondContact O-CG 3.41Å; G45-L49 PolarHBondContact O-N 3.5Å; V47-L49 PolarHBondContact O-N 3.05Å; L49-I52 HydrophobicContact CD2-CD1 4.5Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 2.68Å
50	R	98	Very high	96.6	Very high	116 Å²	116	116.6 Å²	116.6	44%	0.438	55%	0.554	S	S	.	*	H	α-helix	trans	-70.7	-40.5	175.4	-178	174.3	61.1	-125.7	3.1	111.3	T46 V47 A48 R54	T46-R50 PolarHBondContact O-N 2.97Å; V47-R50 WeakPolarHBondContact O-CB 3.28Å; V47-R50 PolarHBondContact O-N 3.45Å; V47-R50 VanDerWaalsContact O-N 3.1Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.29Å; R50-R54 WeakPolarHBondContact O-CB 3.5Å; R50-R54 PolarHBondContact O-N 2.92Å
51	E	97.7	Very high	96.9	Very high	91 Å²	91	112.2 Å²	112.2	43%	0.425	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-45.7	175.8	-73.5	169.7	-176.4	0	0	111.5	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.43Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.37Å; V47-E51 WeakPolarHBondContact O-CG 3.31Å; V47-E51 PolarHBondContact O-N 2.97Å; A48-E51 PolarHBondContact O-N 3.47Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R54 WeakPolarHBondContact O-CB 3.31Å; E51-R54 PolarHBondContact O-N 2.69Å; E51-Y55 HydrophobicContact CB-CD2 4.28Å; E51-Y55 HydrophobicContact CB-CE2 4Å; E51-Y55 HydrophobicContact CG-CE2 4.47Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 PolarHBondContact O-N 3.3Å
52	I	97.7	Very high	97	Very high	86 Å²	86	106.2 Å²	106.2	44%	0.441	52%	0.519	S	S	.	.	H	α-helix	trans	-54.6	-51.2	175.2	-68.3	164.3	0	0	0	110.5	A48 L49 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.29Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 3.46Å; L49-I52 HydrophobicContact CD2-CD1 4.5Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.35Å; I52-Y55 PolarHBondContact O-N 2.9Å; I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.33Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.39Å; I52-Q56 PolarHBondContact O-N 3.28Å
53	R	97.9	Very high	97.1	Very high	167 Å²	167	103.4 Å²	103.4	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-29.7	178.3	-69.4	178	-160.8	-143.8	3.1	113.5	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 2.68Å; E51-R53 PolarHBondContact O-N 3.35Å; R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.29Å
54	R	98	Very high	97.2	Very high	147 Å²	147	103.4 Å²	103.4	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-69.3	-53.7	176.3	177.3	-174.5	168.9	-172.8	-5.6	109.7	R50 E51 I52 Q56 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.5Å; R50-R54 PolarHBondContact O-N 2.92Å; E51-R54 WeakPolarHBondContact O-CB 3.31Å; E51-R54 PolarHBondContact O-N 2.69Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.35Å; R54-Q56 PolarHBondContact O-N 3.45Å; R54-K57 PolarHBondContact O-N 3.23Å; R54-K57 VanDerWaalsContact O-N 3.13Å; R54-S58 PolarHBondContact O-N 3.37Å; R54-S58 PolarHBondContact O-OG 3.09Å; R54-E60 IonicContact NH2-OE1 3.7Å
55	Y	97.7	Very high	97.1	Very high	96 Å²	96	105.5 Å²	105.5	38%	0.376	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-28.5	-175.2	-62.5	-52	0	0	0	113.2	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.28Å; E51-Y55 HydrophobicContact CB-CE2 4Å; E51-Y55 HydrophobicContact CG-CE2 4.47Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 PolarHBondContact O-N 3.3Å; I52-Y55 PolarHBondContact O-N 2.9Å; Y55-K57 PolarHBondContact O-N 3.42Å; Y55-S58 PolarHBondContact O-N 3.16Å; Y55-S58 VanDerWaalsContact O-O 3.08Å; Y55-L62 HydrophobicContact CD1-CD2 3.68Å; Y55-L62 HydrophobicContact CE1-CD2 3.82Å; Y55-L62 HydrophobicContact CG-CD2 4.46Å
56	Q	97.2	Very high	97.1	Very high	151 Å²	151	108.2 Å²	108.2	71%	0.706	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.1	171.1	-75.4	-179.5	-28.1	0	0	113.7	I52 R54	I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.33Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.39Å; I52-Q56 PolarHBondContact O-N 3.28Å; R54-Q56 PolarHBondContact O-N 3.45Å
57	K	97.9	Very high	97.1	Very high	186 Å²	186	108.9 Å²	108.9	81%	0.809	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-21.2	177.7	-74.5	-179.5	179.8	-166.5	0	113.1	R53 R54 Y55	R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.29Å; R54-K57 PolarHBondContact O-N 3.23Å; R54-K57 VanDerWaalsContact O-N 3.13Å; Y55-K57 PolarHBondContact O-N 3.42Å
58	S	96.4	Very high	97.1	Very high	41 Å²	41	107.3 Å²	107.3	29%	0.287	50%	0.501	S	S	.	.			trans	-98.6	160.7	179.4	58.1	0	0	0	0	110.9	R54 Y55	R54-S58 PolarHBondContact O-N 3.37Å; R54-S58 PolarHBondContact O-OG 3.09Å; Y55-S58 PolarHBondContact O-N 3.16Å; Y55-S58 VanDerWaalsContact O-O 3.08Å
59	T	96.3	Very high	97	Very high	148 Å²	148	107.8 Å²	107.8	91%	0.908	50%	0.495	S	S	*	.			trans	-120.9	21.4	173.7	61.7	0	0	0	0	110.7
60	E	96	Very high	97	Very high	101 Å²	101	111 Å²	111	47%	0.472	50%	0.501	S	S	.	.			trans	-73.1	139.8	179.2	66.3	-176.3	169.4	0	0	110.4	R54 L62	R54-E60 IonicContact NH2-OE1 3.7Å; E60-L62 HydrophobicContact CG-CD2 4.2Å; E60-L62 PolarHBondContact O-N 3.24Å
61	L	96.6	Very high	97	Very high	57 Å²	57	109.4 Å²	109.4	30%	0.298	50%	0.5	S	S	.	.			trans	-67.1	127.7	172.4	-65.7	174.3	0	0	0	109.9	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CG 4.13Å; L61-Q94 HydrophobicContact CD2-CG 4.41Å; L61-E95 HydrophobicContact CD1-CG 4.43Å; L61-E95 HydrophobicContact CD2-CG 4.01Å; L61-E98 WeakPolarHBondContact CA-OE2 3.48Å; L61-E98 HydrophobicContact CD2-CG 4.42Å
62	L	97	Very high	96.9	Very high	95 Å²	95	106 Å²	106	50%	0.497	49%	0.486	S	S	.	.			trans	-89.5	-27.1	-173.8	-56.9	-178.1	0	0	0	112.2	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.68Å; Y55-L62 HydrophobicContact CE1-CD2 3.82Å; Y55-L62 HydrophobicContact CG-CD2 4.46Å; E60-L62 HydrophobicContact CG-CD2 4.2Å; E60-L62 PolarHBondContact O-N 3.24Å; L62-E98 PolarHBondContact N-OE1 3.42Å; L62-E98 PolarHBondContact N-OE2 3.49Å
63	M	96.1	Very high	96.8	Very high	61 Å²	61	106.3 Å²	106.3	30%	0.3	48%	0.482	S	S	.	.	S	Bend	trans	-78.3	139	175.2	-63.7	-164.2	-77.5	0	0	111.1	R65 F68 Q94 T97 E98	M63-R65 PolarHBondContact O-N 2.94Å; M63-F68 HydrophobicContact CE-CD2 3.49Å; M63-F68 VanDerWaalsContact CE-CD2 3.49Å; M63-F68 HydrophobicContact CE-CE2 3.57Å; M63-F68 HydrophobicContact CE-CG 4.46Å; M63-F68 HydrophobicContact SD-CD2 4Å; M63-Q94 HydrophobicContact CE-CG 4.38Å; M63-Q94 PolarHBondContact O-NE2 3.48Å; M63-T97 HydrophobicContact CE-CG2 3.77Å; M63-E98 VanDerWaalsContact CB-OE1 3.29Å; M63-E98 WeakPolarHBondContact CB-OE1 3.3Å; M63-E98 HydrophobicContact CE-CG 3.39Å; M63-E98 HydrophobicContact CG-CG 4.12Å; M63-E98 PolarHBondContact N-OE1 3.46Å
64	R	97.1	Very high	96.8	Very high	207 Å²	207	104.5 Å²	104.5	78%	0.781	48%	0.48	S	S	*	.			trans	-67.4	127.7	175.2	-66	-177.9	-180	-173.4	0.6	109.6	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.46Å; R64-P67 HydrophobicContact CB-CG 3.93Å; R64-P67 WeakPolarHBondContact O-CD 3.42Å; R64-F68 PolarHBondContact O-N 3.26Å
65	R	93.9	Very high	96.7	Very high	174 Å²	174	101.6 Å²	101.6	66%	0.657	48%	0.475	S	S	*	.	H	α-helix	trans	-53.4	-47.5	-176.7	-66.6	-176.5	177.6	-179.9	-1.7	113.9	M63 F68 Q69	M63-R65 PolarHBondContact O-N 2.94Å; R65-F68 PolarHBondContact O-N 3.49Å; R65-Q69 WeakPolarHBondContact O-CB 3.5Å; R65-Q69 PolarHBondContact O-N 2.55Å
66	L	96.2	Very high	96.7	Very high	96 Å²	96	97.7 Å²	97.7	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-67.3	-49.6	-174.9	176.5	66.2	0	0	0	113.4	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.46Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 2.93Å; L66-Q69 PolarHBondContact O-N 3.34Å; L66-R70 WeakPolarHBondContact O-CG 3.39Å; L66-R70 PolarHBondContact O-N 3.34Å
67	P	97.7	Very high	96.6	Very high	74 Å²	74	95.3 Å²	95.3	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-56.6	-43.9	171.8	-28.9	35.8	0	0	0	113.7	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.93Å; R64-P67 WeakPolarHBondContact O-CD 3.42Å; P67-Q69 PolarHBondContact O-N 2.91Å; P67-R70 PolarHBondContact O-N 3.17Å; P67-L71 PolarHBondContact O-N 2.96Å; P67-L71 VanDerWaalsContact O-N 3.09Å
68	F	97.7	Very high	96.5	Very high	15 Å²	15	93 Å²	93	7%	0.066	45%	0.447	C	S	.	.	H	α-helix	trans	-61.7	-45.6	178.3	-176.9	-96.2	0	0	0	111.6	M63 R64 R65 L66 R70 L71 V72 V90 L93 Q94 T97	M63-F68 HydrophobicContact CE-CD2 3.49Å; M63-F68 VanDerWaalsContact CE-CD2 3.49Å; M63-F68 HydrophobicContact CE-CE2 3.57Å; M63-F68 HydrophobicContact CE-CG 4.46Å; M63-F68 HydrophobicContact SD-CD2 4Å; R64-F68 PolarHBondContact O-N 3.26Å; R65-F68 PolarHBondContact O-N 3.49Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 2.93Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.05Å; F68-L71 PolarHBondContact O-N 3.31Å; F68-V72 HydrophobicContact CD1-CG2 3.98Å; F68-V72 HydrophobicContact CE1-CG2 3.5Å; F68-V72 VanDerWaalsContact CE1-CG2 3.5Å; F68-V72 HydrophobicContact CE2-CG2 4.43Å; F68-V72 HydrophobicContact CZ-CG2 3.76Å; F68-V72 WeakPolarHBondContact O-CG2 3.46Å; F68-V72 PolarHBondContact O-N 2.73Å; F68-V90 HydrophobicContact CD1-CG1 4.27Å; F68-V90 HydrophobicContact CE1-CG1 4.44Å; F68-L93 HydrophobicContact CE1-CB 4.08Å; F68-L93 HydrophobicContact CZ-CB 4.13Å; F68-Q94 HydrophobicContact CD1-CB 3.7Å; F68-Q94 HydrophobicContact CD1-CG 3.9Å; F68-Q94 HydrophobicContact CD2-CG 4.45Å; F68-Q94 HydrophobicContact CE1-CB 3.45Å; F68-Q94 VanDerWaalsContact CE1-CB 3.45Å; F68-Q94 HydrophobicContact CE1-CG 4.04Å; F68-Q94 HydrophobicContact CG-CB 4.41Å; F68-Q94 HydrophobicContact CG-CG 4.13Å; F68-Q94 VanDerWaalsContact CZ-CA 3.42Å; F68-Q94 HydrophobicContact CZ-CB 3.97Å; F68-Q94 HydrophobicContact CZ-CG 4.38Å; F68-T97 HydrophobicContact CE2-CG2 4.12Å
69	Q	96.4	Very high	96.5	Very high	56 Å²	56	99.4 Å²	99.4	26%	0.262	47%	0.47	S	S	.	.	H	α-helix	trans	-59.6	-39	175.9	178.7	-177.6	-25.6	0	0	112.8	R65 L66 P67 R73 V90	R65-Q69 WeakPolarHBondContact O-CB 3.5Å; R65-Q69 PolarHBondContact O-N 2.55Å; L66-Q69 PolarHBondContact O-N 3.34Å; P67-Q69 PolarHBondContact O-N 2.91Å; Q69-R73 WeakPolarHBondContact O-CG 3.34Å; Q69-R73 PolarHBondContact O-N 2.9Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; Q69-V90 HydrophobicContact CB-CG1 4.09Å; Q69-V90 HydrophobicContact CG-CG1 4.3Å
70	R	97.1	Very high	96.4	Very high	165 Å²	165	98.9 Å²	98.9	62%	0.623	46%	0.456	S	S	*	.	H	α-helix	trans	-63.6	-46.1	177	-72.8	176.3	-178.2	-173.9	-1.6	110.9	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.39Å; L66-R70 PolarHBondContact O-N 3.34Å; P67-R70 PolarHBondContact O-N 3.17Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.05Å; R70-V72 PolarHBondContact O-N 2.98Å; R70-R73 PolarHBondContact O-N 3.29Å; R70-E74 WeakPolarHBondContact O-CB 3.22Å; R70-E74 PolarHBondContact O-N 3.42Å
71	L	97.5	Very high	96.3	Very high	83 Å²	83	96.7 Å²	96.7	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-44.2	176.9	179.7	63.9	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 2.96Å; P67-L71 VanDerWaalsContact O-N 3.09Å; F68-L71 PolarHBondContact O-N 3.31Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.94Å; L71-E74 PolarHBondContact O-N 3.4Å; L71-I75 HydrophobicContact CD1-CD1 3.92Å; L71-I75 HydrophobicContact CD1-CG1 4.21Å; L71-I75 HydrophobicContact CG-CD1 3.93Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 3.09Å
72	V	96.9	Very high	96	Very high	19 Å²	19	101 Å²	101	12%	0.115	48%	0.478	C	S	.	.	H	α-helix	trans	-58.8	-42.3	176.7	168.8	0	0	0	0	111.2	F68 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.98Å; F68-V72 HydrophobicContact CE1-CG2 3.5Å; F68-V72 VanDerWaalsContact CE1-CG2 3.5Å; F68-V72 HydrophobicContact CE2-CG2 4.43Å; F68-V72 HydrophobicContact CZ-CG2 3.76Å; F68-V72 WeakPolarHBondContact O-CG2 3.46Å; F68-V72 PolarHBondContact O-N 2.73Å; R70-V72 PolarHBondContact O-N 2.98Å; V72-A76 WeakPolarHBondContact O-CB 3.48Å; V72-A76 PolarHBondContact O-N 3.49Å; V72-F85 HydrophobicContact CG1-CD1 4.35Å; V72-F85 HydrophobicContact CG1-CE1 3.89Å; V72-F85 HydrophobicContact CG1-CZ 4.14Å; V72-L93 HydrophobicContact CG1-CD1 3.61Å; V72-L93 HydrophobicContact CG2-CD1 4.23Å
73	R	96	Very high	95.9	Very high	94 Å²	94	99.8 Å²	99.8	36%	0.355	47%	0.472	S	S	.	.	H	α-helix	trans	-71.4	-37.9	179.4	-71.5	176.3	-179.4	-81.3	1.9	112.6	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.34Å; Q69-R73 PolarHBondContact O-N 2.9Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 3.29Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.94Å; R73-A76 PolarHBondContact O-N 3.21Å; R73-Q77 WeakPolarHBondContact O-CB 3.5Å; R73-Q77 PolarHBondContact O-N 2.92Å; R73-F85 HydrophobicContact CG-CD2 4.26Å; R73-F85 HydrophobicContact CG-CE2 4.36Å
74	E	96.4	Very high	95.9	Very high	129 Å²	129	108.5 Å²	108.5	60%	0.603	50%	0.501	S	S	*	.	H	α-helix	trans	-58.5	-54.1	174	-176.9	-177.2	158.1	0	0	110.6	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.22Å; R70-E74 PolarHBondContact O-N 3.42Å; L71-E74 PolarHBondContact O-N 3.4Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 3.13Å; E74-Q77 WeakPolarHBondContact O-CB 3.42Å; E74-Q77 PolarHBondContact O-N 2.93Å
75	I	96.9	Very high	95.8	Very high	86 Å²	86	101.2 Å²	101.2	44%	0.441	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-41.8	178.6	-65	169.4	0	0	0	111.2	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.92Å; L71-I75 HydrophobicContact CD1-CG1 4.21Å; L71-I75 HydrophobicContact CG-CD1 3.93Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 3.09Å; I75-Q77 VanDerWaalsContact C-N 3.28Å; I75-Q77 PolarHBondContact O-N 2.97Å; I75-D78 PolarHBondContact O-N 2.95Å; I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.46Å
76	A	96.7	Very high	95.9	Very high	13 Å²	13	99.7 Å²	99.7	11%	0.107	48%	0.476	C	S	.	.	H	α-helix	trans	-66	-31.4	-179.1	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 WeakPolarHBondContact O-CB 3.48Å; V72-A76 PolarHBondContact O-N 3.49Å; R73-A76 PolarHBondContact O-N 3.21Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 3.13Å; A76-D78 PolarHBondContact O-N 3.37Å; A76-F79 PolarHBondContact O-N 2.99Å; A76-F79 VanDerWaalsContact O-N 3.16Å; A76-K80 PolarHBondContact O-N 3.1Å; A76-K80 VanDerWaalsContact O-N 3.09Å; A76-L83 HydrophobicContact CB-CD1 4.06Å; A76-F85 HydrophobicContact CB-CE2 3.82Å; A76-F85 HydrophobicContact CB-CZ 3.47Å; A76-F85 VanDerWaalsContact CB-CZ 3.47Å
77	Q	95.8	Very high	95.8	Very high	102 Å²	102	101.5 Å²	101.5	48%	0.477	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-32.2	178.5	-172.6	68.3	21.4	0	0	111.7	R73 E74 I75 F79	R73-Q77 WeakPolarHBondContact O-CB 3.5Å; R73-Q77 PolarHBondContact O-N 2.92Å; E74-Q77 WeakPolarHBondContact O-CB 3.42Å; E74-Q77 PolarHBondContact O-N 2.93Å; I75-Q77 VanDerWaalsContact C-N 3.28Å; I75-Q77 PolarHBondContact O-N 2.97Å; Q77-F79 PolarHBondContact O-N 3.3Å
78	D	96.1	Very high	95.8	Very high	136 Å²	136	101.4 Å²	101.4	73%	0.727	48%	0.484	S	S	*	.	H	α-helix	trans	-66.5	-24.2	177.5	-65.4	-22.7	0	0	0	112.9	I75 A76	I75-D78 PolarHBondContact O-N 2.95Å; A76-D78 PolarHBondContact O-N 3.37Å
79	F	95.7	Very high	95.7	Very high	176 Å²	176	102.3 Å²	102.3	77%	0.772	49%	0.494	S	S	*	.	H	α-helix	trans	-95.1	-41.4	179	-63.8	-83.2	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.46Å; A76-F79 PolarHBondContact O-N 2.99Å; A76-F79 VanDerWaalsContact O-N 3.16Å; Q77-F79 PolarHBondContact O-N 3.3Å
80	K	95	Very high	95.7	Very high	138 Å²	138	100 Å²	100	60%	0.6	48%	0.484	S	S	*	.			trans	-155.7	123.9	179.8	-178.6	167.1	178.2	174.9	0	110.8	A76 L83	A76-K80 PolarHBondContact O-N 3.1Å; A76-K80 VanDerWaalsContact O-N 3.09Å; K80-L83 HydrophobicContact CB-CD1 3.98Å; K80-L83 HydrophobicContact CB-CD2 4.4Å; K80-L83 HydrophobicContact CB-CG 4.07Å; K80-L83 HydrophobicContact CD-CD2 4Å; K80-L83 HydrophobicContact CG-CD2 4.17Å; K80-L83 HydrophobicContact CG-CG 4.16Å; K80-L83 WeakPolarHBondContact O-CG 3.37Å
81	A	92.8	Very high	95.7	Very high	54 Å²	54	94.7 Å²	94.7	45%	0.446	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	153	173.3	0	0	0	0	0	112.1	L83	A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.39Å
82	D	91.6	Very high	95.7	Very high	149 Å²	149	93.5 Å²	93.5	80%	0.797	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	28.8	172.1	-55.8	-43.7	0	0	0	115.9
83	L	94.4	Very high	95.8	Very high	69 Å²	69	96.3 Å²	96.3	36%	0.361	48%	0.484	S	S	.	.			trans	-70.4	132.2	173.6	-73.7	176.2	0	0	0	112.8	A76 K80 A81 F85	A76-L83 HydrophobicContact CB-CD1 4.06Å; K80-L83 HydrophobicContact CB-CD1 3.98Å; K80-L83 HydrophobicContact CB-CD2 4.4Å; K80-L83 HydrophobicContact CB-CG 4.07Å; K80-L83 HydrophobicContact CD-CD2 4Å; K80-L83 HydrophobicContact CG-CD2 4.17Å; K80-L83 HydrophobicContact CG-CG 4.16Å; K80-L83 WeakPolarHBondContact O-CG 3.37Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.39Å; L83-F85 HydrophobicContact CB-CE2 4Å
84	R	95.2	Very high	95.9	Very high	244 Å²	244	91.9 Å²	91.9	92%	0.921	47%	0.468	S	S	*	.			trans	-101.5	136	169.6	-58	-177.3	102.4	-175	6.8	109.5
85	F	95.4	Very high	95.9	Very high	53 Å²	53	91.5 Å²	91.5	23%	0.232	47%	0.466	C	S	.	.			trans	-110.3	132.5	179	-73.9	-96	0	0	0	110.1	V72 R73 A76 L83 V90	V72-F85 HydrophobicContact CG1-CD1 4.35Å; V72-F85 HydrophobicContact CG1-CE1 3.89Å; V72-F85 HydrophobicContact CG1-CZ 4.14Å; R73-F85 HydrophobicContact CG-CD2 4.26Å; R73-F85 HydrophobicContact CG-CE2 4.36Å; A76-F85 HydrophobicContact CB-CE2 3.82Å; A76-F85 HydrophobicContact CB-CZ 3.47Å; A76-F85 VanDerWaalsContact CB-CZ 3.47Å; L83-F85 HydrophobicContact CB-CE2 4Å; F85-V90 HydrophobicContact CB-CG2 3.84Å; F85-V90 HydrophobicContact CD1-CG2 4.28Å; F85-V90 HydrophobicContact CG-CG2 4.29Å
86	Q	96.9	Very high	95.9	Very high	143 Å²	143	90.3 Å²	90.3	67%	0.668	47%	0.469	S	S	*	.			trans	-65.2	150.7	162.1	-68.2	-179.9	-41.9	0	0	109.7	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.45Å; Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.3Å; Q86-V90 PolarHBondContact O-N 3.34Å
87	M	93.9	Very high	96	Very high	133 Å²	133	92 Å²	92	66%	0.655	48%	0.478	S	S	*	.	H	α-helix	trans	-60.9	-41.7	175.7	-176.3	61.6	71.7	0	0	111.4	A89 V90 L91	M87-A89 VanDerWaalsContact C-N 3.31Å; M87-A89 PolarHBondContact O-N 3.21Å; M87-V90 PolarHBondContact O-N 3.01Å; M87-L91 HydrophobicContact CG-CD1 4.29Å; M87-L91 WeakPolarHBondContact O-CG 3.3Å; M87-L91 PolarHBondContact O-N 3.37Å; M87-L91 VanDerWaalsContact O-N 3.09Å
88	S	96.8	Very high	96.1	Very high	72 Å²	72	88.2 Å²	88.2	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-60.4	-37.1	176.1	49.3	0	0	0	0	112.8	Q86 L91 A92	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.45Å; S88-L91 PolarHBondContact O-N 3Å; S88-A92 WeakPolarHBondContact O-CB 3.48Å; S88-A92 PolarHBondContact O-N 3.44Å
89	A	97.2	Very high	96.2	Very high	34 Å²	34	84.9 Å²	84.9	28%	0.281	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-42.8	178.3	0	0	0	0	0	111.8	Q86 M87 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.3Å; M87-A89 VanDerWaalsContact C-N 3.31Å; M87-A89 PolarHBondContact O-N 3.21Å; A89-A92 PolarHBondContact O-N 2.95Å; A89-L93 WeakPolarHBondContact O-CG 3.35Å; A89-L93 PolarHBondContact O-N 2.96Å; A89-L93 VanDerWaalsContact O-N 3.08Å
90	V	96.3	Very high	96.2	Very high	9 Å²	9	81.2 Å²	81.2	6%	0.055	43%	0.433	C	S	.	.	H	α-helix	trans	-66.8	-39.3	176.6	-177.9	0	0	0	0	111	F68 Q69 F85 Q86 M87 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.27Å; F68-V90 HydrophobicContact CE1-CG1 4.44Å; Q69-V90 HydrophobicContact CB-CG1 4.09Å; Q69-V90 HydrophobicContact CG-CG1 4.3Å; F85-V90 HydrophobicContact CB-CG2 3.84Å; F85-V90 HydrophobicContact CD1-CG2 4.28Å; F85-V90 HydrophobicContact CG-CG2 4.29Å; Q86-V90 PolarHBondContact O-N 3.34Å; M87-V90 PolarHBondContact O-N 3.01Å; V90-L93 PolarHBondContact O-N 3.29Å; V90-Q94 PolarHBondContact O-N 3.01Å
91	L	96.7	Very high	96.3	Very high	52 Å²	52	78.3 Å²	78.3	27%	0.272	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-43.7	176	-70.1	173.3	0	0	0	112.1	M87 S88 L93 Q94 E95	M87-L91 HydrophobicContact CG-CD1 4.29Å; M87-L91 WeakPolarHBondContact O-CG 3.3Å; M87-L91 PolarHBondContact O-N 3.37Å; M87-L91 VanDerWaalsContact O-N 3.09Å; S88-L91 PolarHBondContact O-N 3Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.45Å; L91-Q94 WeakPolarHBondContact O-CB 3.35Å; L91-Q94 PolarHBondContact O-N 3.22Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-E95 PolarHBondContact O-N 2.92Å
92	A	97.7	Very high	96.5	Very high	59 Å²	59	79.2 Å²	79.2	49%	0.488	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-42.4	177	0	0	0	0	0	111.9	S88 A89 Q94 E95 A96	S88-A92 WeakPolarHBondContact O-CB 3.48Å; S88-A92 PolarHBondContact O-N 3.44Å; A89-A92 PolarHBondContact O-N 2.95Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.18Å; A92-E95 PolarHBondContact O-N 2.92Å; A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 2.86Å
93	L	97.7	Very high	96.8	Very high	77 Å²	77	72.9 Å²	72.9	40%	0.403	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-40	173.1	-71.7	171.6	0	0	0	111.8	F68 V72 A89 V90 L91 T97	F68-L93 HydrophobicContact CE1-CB 4.08Å; F68-L93 HydrophobicContact CZ-CB 4.13Å; V72-L93 HydrophobicContact CG1-CD1 3.61Å; V72-L93 HydrophobicContact CG2-CD1 4.23Å; A89-L93 WeakPolarHBondContact O-CG 3.35Å; A89-L93 PolarHBondContact O-N 2.96Å; A89-L93 VanDerWaalsContact O-N 3.08Å; V90-L93 PolarHBondContact O-N 3.29Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.45Å; L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.37Å; L93-T97 PolarHBondContact O-N 3.26Å; L93-T97 PolarHBondContact O-OG1 2.67Å
94	Q	97.7	Very high	96.9	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.009	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-49.1	178.5	-167.9	173.8	-16.4	0	0	111.8	L61 M63 F68 V90 L91 A92 A96 T97 E98	L61-Q94 HydrophobicContact CD1-CG 4.13Å; L61-Q94 HydrophobicContact CD2-CG 4.41Å; M63-Q94 HydrophobicContact CE-CG 4.38Å; M63-Q94 PolarHBondContact O-NE2 3.48Å; F68-Q94 HydrophobicContact CD1-CB 3.7Å; F68-Q94 HydrophobicContact CD1-CG 3.9Å; F68-Q94 HydrophobicContact CD2-CG 4.45Å; F68-Q94 HydrophobicContact CE1-CB 3.45Å; F68-Q94 VanDerWaalsContact CE1-CB 3.45Å; F68-Q94 HydrophobicContact CE1-CG 4.04Å; F68-Q94 HydrophobicContact CG-CB 4.41Å; F68-Q94 HydrophobicContact CG-CG 4.13Å; F68-Q94 VanDerWaalsContact CZ-CA 3.42Å; F68-Q94 HydrophobicContact CZ-CB 3.97Å; F68-Q94 HydrophobicContact CZ-CG 4.38Å; V90-Q94 PolarHBondContact O-N 3.01Å; L91-Q94 WeakPolarHBondContact O-CB 3.35Å; L91-Q94 PolarHBondContact O-N 3.22Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.18Å; Q94-A96 PolarHBondContact O-N 3.32Å; Q94-T97 PolarHBondContact O-N 3.16Å; Q94-E98 PolarHBondContact NE2-OE1 2.95Å; Q94-E98 WeakPolarHBondContact O-CG 3.07Å; Q94-E98 PolarHBondContact O-N 2.87Å
95	E	97.5	Very high	97	Very high	120 Å²	120	63.2 Å²	63.2	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-58	-48.1	177.5	-76.6	-177.4	-170.2	0	0	111.5	L61 L91 A92 T97 E98 A99	L61-E95 HydrophobicContact CD1-CG 4.43Å; L61-E95 HydrophobicContact CD2-CG 4.01Å; L91-E95 PolarHBondContact O-N 2.92Å; A92-E95 PolarHBondContact O-N 2.92Å; E95-T97 PolarHBondContact O-N 3.18Å; E95-E98 PolarHBondContact O-N 3.4Å; E95-A99 VanDerWaalsContact O-CB 3.31Å; E95-A99 WeakPolarHBondContact O-CB 3.38Å; E95-A99 PolarHBondContact O-N 3.48Å
96	A	97.9	Very high	97.1	Very high	62 Å²	62	66 Å²	66	51%	0.512	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-40.9	178.8	0	0	0	0	0	112.4	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 2.86Å; Q94-A96 PolarHBondContact O-N 3.32Å; A96-Y100 WeakPolarHBondContact O-CB 3.49Å; A96-Y100 PolarHBondContact O-N 3.35Å
97	T	97.9	Very high	97.2	Very high	49 Å²	49	61.7 Å²	61.7	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-46.7	179.5	-56.8	0	0	0	0	111.2	M63 F68 L93 Q94 E95 Y100 M101	M63-T97 HydrophobicContact CE-CG2 3.77Å; F68-T97 HydrophobicContact CE2-CG2 4.12Å; L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.37Å; L93-T97 PolarHBondContact O-N 3.26Å; L93-T97 PolarHBondContact O-OG1 2.67Å; Q94-T97 PolarHBondContact O-N 3.16Å; E95-T97 PolarHBondContact O-N 3.18Å; T97-Y100 PolarHBondContact O-N 2.92Å; T97-M101 HydrophobicContact CG2-CG 4.44Å; T97-M101 HydrophobicContact CG2-SD 4.2Å; T97-M101 WeakPolarHBondContact O-CB 3.37Å; T97-M101 VanDerWaalsContact O-CG 3.3Å; T97-M101 WeakPolarHBondContact O-CG 3.39Å; T97-M101 PolarHBondContact O-N 3.03Å
98	E	97.8	Very high	97.4	Very high	21 Å²	21	55.4 Å²	55.4	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-42	179.2	-70.2	-166.7	-151.5	0	0	111.5	L61 L62 M63 Q94 E95 Y100 M101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.48Å; L61-E98 HydrophobicContact CD2-CG 4.42Å; L62-E98 PolarHBondContact N-OE1 3.42Å; L62-E98 PolarHBondContact N-OE2 3.49Å; M63-E98 VanDerWaalsContact CB-OE1 3.29Å; M63-E98 WeakPolarHBondContact CB-OE1 3.3Å; M63-E98 HydrophobicContact CE-CG 3.39Å; M63-E98 HydrophobicContact CG-CG 4.12Å; M63-E98 PolarHBondContact N-OE1 3.46Å; Q94-E98 PolarHBondContact NE2-OE1 2.95Å; Q94-E98 WeakPolarHBondContact O-CG 3.07Å; Q94-E98 PolarHBondContact O-N 2.87Å; E95-E98 PolarHBondContact O-N 3.4Å; E98-Y100 PolarHBondContact O-N 3.37Å; E98-M101 PolarHBondContact O-N 3.47Å; E98-V102 VanDerWaalsContact O-CG2 3.3Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 3.37Å
99	A	97.4	Very high	97.5	Very high	67 Å²	67	55.2 Å²	55.2	55%	0.554	31%	0.314	S	S	*	.	H	α-helix	trans	-60.2	-45.7	175.1	0	0	0	0	0	112.1	E95 M101 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.31Å; E95-A99 WeakPolarHBondContact O-CB 3.38Å; E95-A99 PolarHBondContact O-N 3.48Å; A99-M101 PolarHBondContact O-N 2.69Å; A99-V102 PolarHBondContact O-N 3.44Å; A99-G103 PolarHBondContact O-N 3.3Å
100	Y	97.1	Very high	97.5	Very high	98 Å²	98	58.8 Å²	58.8	38%	0.384	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-45.7	175.9	170.4	-96.2	0	0	0	111.9	A96 T97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.49Å; A96-Y100 PolarHBondContact O-N 3.35Å; T97-Y100 PolarHBondContact O-N 2.92Å; E98-Y100 PolarHBondContact O-N 3.37Å; Y100-G103 PolarHBondContact O-N 3.5Å; Y100-L104 HydrophobicContact CE1-CD2 4.16Å; Y100-L104 WeakPolarHBondContact O-CB 3.19Å; Y100-L104 PolarHBondContact O-N 3.13Å; Y100-E134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.33Å; Y100-E134 PolarHBondContact OH-OE2 2.92Å
101	M	96.9	Very high	97.6	Very high	77 Å²	77	59.2 Å²	59.2	38%	0.379	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-43.3	179.8	-73	-173.7	71.5	0	0	112.1	T97 E98 A99 L104 F105	T97-M101 HydrophobicContact CG2-CG 4.44Å; T97-M101 HydrophobicContact CG2-SD 4.2Å; T97-M101 WeakPolarHBondContact O-CB 3.37Å; T97-M101 VanDerWaalsContact O-CG 3.3Å; T97-M101 WeakPolarHBondContact O-CG 3.39Å; T97-M101 PolarHBondContact O-N 3.03Å; E98-M101 PolarHBondContact O-N 3.47Å; A99-M101 PolarHBondContact O-N 2.69Å; M101-L104 PolarHBondContact O-N 3.4Å; M101-F105 HydrophobicContact CB-CE2 4.47Å; M101-F105 HydrophobicContact CE-CE2 4.02Å; M101-F105 WeakPolarHBondContact O-CD2 3.42Å; M101-F105 PolarHBondContact O-N 2.93Å
102	V	97.4	Very high	97.6	Very high	73 Å²	73	56.7 Å²	56.7	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-59.4	-50.7	176.3	170.6	0	0	0	0	110.2	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.3Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 3.37Å; A99-V102 PolarHBondContact O-N 3.44Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 3.49Å; V102-F105 PolarHBondContact O-N 3.37Å; V102-F105 VanDerWaalsContact O-N 3.1Å; V102-E106 WeakPolarHBondContact O-CG 3.46Å; V102-E106 PolarHBondContact O-N 2.9Å
103	G	96.7	Very high	97.7	Very high	17 Å²	17	58.5 Å²	58.5	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-59.5	-41.5	177.3	0	0	0	0	0	112.4	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.3Å; Y100-G103 PolarHBondContact O-N 3.5Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.39Å; G103-E106 WeakPolarHBondContact O-CB 3.24Å; G103-E106 PolarHBondContact O-N 3.49Å; G103-D107 PolarHBondContact O-N 3.26Å; G103-R132 PolarHBondContact O-NH2 3.04Å
104	L	97.2	Very high	97.7	Very high	20 Å²	20	62.5 Å²	62.5	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-38.3	176.6	179.7	61.3	0	0	0	111.9	Y100 M101 V102 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.16Å; Y100-L104 WeakPolarHBondContact O-CB 3.19Å; Y100-L104 PolarHBondContact O-N 3.13Å; M101-L104 PolarHBondContact O-N 3.4Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 3.49Å; L104-D107 PolarHBondContact O-N 3.05Å; L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.29Å; L104-T108 PolarHBondContact O-N 3.31Å; L104-T108 PolarHBondContact O-OG1 3.34Å; L104-I125 HydrophobicContact CD2-CG2 4.16Å; L104-A128 HydrophobicContact CD1-CB 4.11Å; L104-R129 HydrophobicContact CD1-CG 3.76Å; L104-R129 HydrophobicContact CD2-CG 4.44Å
105	F	98	Very high	97.7	Very high	89 Å²	89	64.8 Å²	64.8	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-69.8	-31.7	176.3	-78.2	-56.7	0	0	0	113.2	M101 V102 G103 T108 N109 I120	M101-F105 HydrophobicContact CB-CE2 4.47Å; M101-F105 HydrophobicContact CE-CE2 4.02Å; M101-F105 WeakPolarHBondContact O-CD2 3.42Å; M101-F105 PolarHBondContact O-N 2.93Å; V102-F105 PolarHBondContact O-N 3.37Å; V102-F105 VanDerWaalsContact O-N 3.1Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.39Å; F105-T108 PolarHBondContact O-N 2.87Å; F105-N109 VanDerWaalsContact O-CB 3.24Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 3.31Å; F105-I120 HydrophobicContact CD1-CD1 3.86Å; F105-I120 HydrophobicContact CE1-CD1 3.95Å
106	E	97.6	Very high	97.7	Very high	113 Å²	113	70.6 Å²	70.6	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-50.5	172	-70.3	176.6	176.9	0	0	110.9	V102 G103 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.46Å; V102-E106 PolarHBondContact O-N 2.9Å; G103-E106 WeakPolarHBondContact O-CB 3.24Å; G103-E106 PolarHBondContact O-N 3.49Å; E106-T108 PolarHBondContact O-N 3.32Å; E106-N109 WeakPolarHBondContact O-CB 3.33Å; E106-N109 PolarHBondContact O-N 3.45Å; E106-L110 WeakPolarHBondContact O-CG 3.3Å; E106-L110 PolarHBondContact O-N 3.23Å
107	D	97.7	Very high	97.7	Very high	52 Å²	52	70 Å²	70	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-39.8	177.5	-70.3	-14.1	0	0	0	112.4	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.26Å; L104-D107 PolarHBondContact O-N 3.05Å; D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 3.02Å; D107-L110 WeakPolarHBondContact O-CB 3.27Å; D107-L110 PolarHBondContact O-N 3.39Å; D107-C111 PolarHBondContact O-N 3.19Å; D107-C111 PolarHBondContact O-SG 3.43Å; D107-A128 HydrophobicContact CB-CB 3.86Å; D107-R132 IonicContact OD2-CZ 2.69Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.43Å; D107-R132 IonicContact OD2-NH2 3.27Å; D107-R132 PolarHBondContact OD2-NH2 3.42Å
108	T	98.3	Very high	97.6	Very high	0 Å²	0	74 Å²	74	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.8	-41	175.3	-60.2	0	0	0	0	110.7	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.29Å; L104-T108 WeakPolarHBondContact O-CB 3.29Å; L104-T108 PolarHBondContact O-N 3.31Å; L104-T108 PolarHBondContact O-OG1 3.34Å; F105-T108 PolarHBondContact O-N 2.87Å; E106-T108 PolarHBondContact O-N 3.32Å; T108-C111 WeakPolarHBondContact O-CB 3.48Å; T108-C111 PolarHBondContact O-N 2.92Å; T108-A112 PolarHBondContact O-N 2.89Å; T108-I120 HydrophobicContact CG2-CB 3.87Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; T108-D124 HydrophobicContact CG2-CB 3.59Å; T108-I125 HydrophobicContact CG2-CB 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å
109	N	98	Very high	97.6	Very high	69 Å²	69	77.4 Å²	77.4	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-41.3	177	-175.6	51.7	0	0	0	111.3	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.24Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 3.31Å; E106-N109 WeakPolarHBondContact O-CB 3.33Å; E106-N109 PolarHBondContact O-N 3.45Å; D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 3.02Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 2.91Å; N109-A112 PolarHBondContact O-N 3.19Å; N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.29Å; N109-I113 PolarHBondContact O-N 3.47Å; N109-I120 HydrophobicContact CB-CG2 4.44Å
110	L	98	Very high	97.7	Very high	109 Å²	109	77.6 Å²	77.6	57%	0.571	39%	0.392	S	S	*	.	H	α-helix	trans	-60.1	-41.6	172.9	-65.6	177.1	0	0	0	111.8	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.3Å; E106-L110 PolarHBondContact O-N 3.23Å; D107-L110 WeakPolarHBondContact O-CB 3.27Å; D107-L110 PolarHBondContact O-N 3.39Å; L110-A112 PolarHBondContact O-N 3.09Å; L110-I113 PolarHBondContact O-N 3.23Å; L110-H114 WeakPolarHBondContact O-CB 3.33Å; L110-H114 PolarHBondContact O-N 3.49Å
111	C	97.9	Very high	97.7	Very high	17 Å²	17	76.8 Å²	76.8	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-40.3	175.1	-67.9	0	0	0	0	112.6	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.19Å; D107-C111 PolarHBondContact O-SG 3.43Å; T108-C111 WeakPolarHBondContact O-CB 3.48Å; T108-C111 PolarHBondContact O-N 2.92Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 2.91Å; C111-H114 PolarHBondContact O-N 3.38Å; C111-A115 PolarHBondContact O-N 2.89Å; C111-D124 HydrophobicContact CB-CB 3.97Å; C111-L127 HydrophobicContact CB-CD2 4.23Å
112	A	98.2	Very high	97.8	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-44.9	176.1	0	0	0	0	0	111.7	T108 N109 L110 A115 R116 R117 I120	T108-A112 PolarHBondContact O-N 2.89Å; N109-A112 PolarHBondContact O-N 3.19Å; L110-A112 PolarHBondContact O-N 3.09Å; A112-A115 CarbonylContact O-C 3.46Å; A112-A115 PolarHBondContact O-N 3.28Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A112-R116 PolarHBondContact O-N 3.49Å; A112-R117 CarbonylContact C-O 3.26Å; A112-R117 VanDerWaalsContact C-O 3.26Å; A112-R117 PolarHBondContact O-N 3.35Å; A112-R117 VanDerWaalsContact O-O 3.07Å; A112-I120 HydrophobicContact CB-CG2 4.02Å
113	I	98.1	Very high	97.7	Very high	96 Å²	96	78.6 Å²	78.6	49%	0.492	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.9	-68.7	167.2	0	0	0	110.6	N109 L110 A115 R116 R117	N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.29Å; N109-I113 PolarHBondContact O-N 3.47Å; L110-I113 PolarHBondContact O-N 3.23Å; I113-A115 PolarHBondContact O-N 2.73Å; I113-R116 WeakPolarHBondContact O-CA 3.29Å; I113-R116 PolarHBondContact O-N 2.78Å; I113-R117 PolarHBondContact N-O 3.05Å
114	H	97.7	Very high	97.8	Very high	162 Å²	162	78 Å²	78	75%	0.75	40%	0.398	S	S	*	.	H	α-helix	trans	-56.2	-38	175.8	-177.9	75.3	0	0	0	111.9	L110 C111 R116	L110-H114 WeakPolarHBondContact O-CB 3.33Å; L110-H114 PolarHBondContact O-N 3.49Å; C111-H114 PolarHBondContact O-N 3.38Å; H114-R116 VanDerWaalsContact C-N 3.25Å; H114-R116 PolarHBondContact O-N 3.08Å
115	A	97.8	Very high	97.8	Very high	49 Å²	49	79.7 Å²	79.7	41%	0.405	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	18.1	175.6	0	0	0	0	0	114.4	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 2.89Å; A112-A115 CarbonylContact O-C 3.46Å; A112-A115 PolarHBondContact O-N 3.28Å; A112-A115 VanDerWaalsContact O-N 3.16Å; I113-A115 PolarHBondContact O-N 2.73Å; A115-R117 VanDerWaalsContact C-N 3.27Å; A115-R117 PolarHBondContact O-N 3.15Å
116	R	97.9	Very high	97.7	Very high	242 Å²	242	80 Å²	80	91%	0.913	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	32.8	-179.1	-54.3	-176.8	-175.8	-160.8	0.6	114.4	A112 I113 H114	A112-R116 PolarHBondContact O-N 3.49Å; I113-R116 WeakPolarHBondContact O-CA 3.29Å; I113-R116 PolarHBondContact O-N 2.78Å; H114-R116 VanDerWaalsContact C-N 3.25Å; H114-R116 PolarHBondContact O-N 3.08Å
117	R	98	Very high	97.6	Very high	49 Å²	49	78.1 Å²	78.1	19%	0.185	40%	0.402	C	S	.	.			trans	-118	154.3	175.5	-71.4	176	-71.4	107	-2.2	110.6	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.26Å; A112-R117 VanDerWaalsContact C-O 3.26Å; A112-R117 PolarHBondContact O-N 3.35Å; A112-R117 VanDerWaalsContact O-O 3.07Å; I113-R117 PolarHBondContact N-O 3.05Å; A115-R117 VanDerWaalsContact C-N 3.27Å; A115-R117 PolarHBondContact O-N 3.15Å; R117-T119 PolarHBondContact NH1-O 3.35Å; R117-T119 VanDerWaalsContact NH1-O 3.08Å; R117-K123 VanDerWaalsContact NH2-CE 3.33Å; R117-D124 IonicContact CZ-OD1 3.55Å; R117-D124 IonicContact CZ-OD2 3.58Å; R117-D124 IonicContact NH1-OD1 3.48Å; R117-D124 PolarHBondContact NH1-OD1 2.89Å; R117-D124 IonicContact NH1-OD2 2.73Å; R117-D124 PolarHBondContact NH1-OD2 2.93Å; R117-D124 IonicContact NH2-OD1 2.69Å; R117-D124 PolarHBondContact NH2-OD1 3.18Å; R117-D124 IonicContact NH2-OD2 3.49Å; R117-D124 PolarHBondContact NH2-OD2 3.15Å
118	V	96.7	Very high	97.5	Very high	135 Å²	135	75.8 Å²	75.8	82%	0.818	39%	0.39	S	S	*	.	S	Bend	trans	-103.9	-13.5	170.7	-63.4	0	0	0	0	112.6
119	T	98.2	Very high	97.4	Very high	92 Å²	92	80.2 Å²	80.2	56%	0.564	41%	0.407	S	S	*	.	S	Bend	trans	-99.8	120	178.7	-51.9	0	0	0	0	109	R117	R117-T119 PolarHBondContact NH1-O 3.35Å; R117-T119 VanDerWaalsContact NH1-O 3.08Å
120	I	97.8	Very high	97.3	Very high	71 Å²	71	86 Å²	86	36%	0.364	42%	0.423	S	S	.	.			trans	-67.4	144.6	172.3	59.2	170.6	0	0	0	111	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.86Å; F105-I120 HydrophobicContact CE1-CD1 3.95Å; T108-I120 HydrophobicContact CG2-CB 3.87Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; N109-I120 HydrophobicContact CB-CG2 4.44Å; A112-I120 HydrophobicContact CB-CG2 4.02Å
121	M	98.2	Very high	97.2	Very high	81 Å²	81	86.8 Å²	86.8	40%	0.399	43%	0.427	S	S	.	.			trans	-131.9	162.3	-179	-63.1	179.2	176	0	0	110.1	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 3.98Å; M121-K123 PolarHBondContact O-N 3.1Å; M121-K123 VanDerWaalsContact O-N 3.15Å; M121-K123 VanDerWaalsContact SD-CE 3.56Å; M121-D124 WeakPolarHBondContact CB-OD2 3.42Å; M121-D124 PolarHBondContact N-OD2 3.43Å; M121-D124 WeakPolarHBondContact O-CB 3.29Å; M121-D124 PolarHBondContact O-N 3.31Å; M121-I125 PolarHBondContact O-N 3.05Å
122	A	97.6	Very high	97	Very high	68 Å²	68	90 Å²	90	56%	0.562	44%	0.437	S	S	*	.	H	α-helix	trans	-55.6	-34.6	178.4	0	0	0	0	0	113.3	D124 I125 Q126	A122-D124 VanDerWaalsContact C-N 3.27Å; A122-D124 PolarHBondContact O-N 2.94Å; A122-I125 PolarHBondContact O-N 3.33Å; A122-Q126 WeakPolarHBondContact O-CG 3.34Å; A122-Q126 PolarHBondContact O-N 3.43Å
123	K	96.9	Very high	96.8	Very high	119 Å²	119	93 Å²	93	52%	0.517	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-30	175.5	63.3	177.8	178.7	-179.2	0	113.6	R117 M121 Q126 L127	R117-K123 VanDerWaalsContact NH2-CE 3.33Å; M121-K123 HydrophobicContact CB-CG 3.98Å; M121-K123 PolarHBondContact O-N 3.1Å; M121-K123 VanDerWaalsContact O-N 3.15Å; M121-K123 VanDerWaalsContact SD-CE 3.56Å; K123-Q126 PolarHBondContact O-N 3.27Å; K123-L127 WeakPolarHBondContact O-CB 3.43Å; K123-L127 PolarHBondContact O-N 3.16Å
124	D	97.8	Very high	96.2	Very high	5 Å²	5	91.4 Å²	91.4	3%	0.027	46%	0.458	C	S	.	.	H	α-helix	trans	-72.2	-40	179.1	-55.7	-39.9	0	0	0	109.9	T108 C111 R117 M121 A122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.59Å; C111-D124 HydrophobicContact CB-CB 3.97Å; R117-D124 IonicContact CZ-OD1 3.55Å; R117-D124 IonicContact CZ-OD2 3.58Å; R117-D124 IonicContact NH1-OD1 3.48Å; R117-D124 PolarHBondContact NH1-OD1 2.89Å; R117-D124 IonicContact NH1-OD2 2.73Å; R117-D124 PolarHBondContact NH1-OD2 2.93Å; R117-D124 IonicContact NH2-OD1 2.69Å; R117-D124 PolarHBondContact NH2-OD1 3.18Å; R117-D124 IonicContact NH2-OD2 3.49Å; R117-D124 PolarHBondContact NH2-OD2 3.15Å; M121-D124 WeakPolarHBondContact CB-OD2 3.42Å; M121-D124 PolarHBondContact N-OD2 3.43Å; M121-D124 WeakPolarHBondContact O-CB 3.29Å; M121-D124 PolarHBondContact O-N 3.31Å; A122-D124 VanDerWaalsContact C-N 3.27Å; A122-D124 PolarHBondContact O-N 2.94Å; D124-L127 PolarHBondContact O-N 3.45Å; D124-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 PolarHBondContact O-N 3.47Å
125	I	96.9	Very high	94.6	Very high	55 Å²	55	90.2 Å²	90.2	28%	0.282	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-45.8	174.3	-60	174.3	0	0	0	109.9	L104 T108 M121 A122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.16Å; T108-I125 HydrophobicContact CG2-CB 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å; M121-I125 PolarHBondContact O-N 3.05Å; A122-I125 PolarHBondContact O-N 3.33Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.37Å; I125-A128 PolarHBondContact O-N 2.97Å; I125-R129 HydrophobicContact CG2-CG 4.41Å; I125-R129 WeakPolarHBondContact O-CB 3.42Å; I125-R129 WeakPolarHBondContact O-CG 3.42Å; I125-R129 PolarHBondContact O-N 3.44Å
126	Q	96.2	Very high	92.3	Very high	96 Å²	96	96.1 Å²	96.1	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-39.5	178.2	-71.2	174.2	7.8	0	0	112.2	A122 K123 R130	A122-Q126 WeakPolarHBondContact O-CG 3.34Å; A122-Q126 PolarHBondContact O-N 3.43Å; K123-Q126 PolarHBondContact O-N 3.27Å; Q126-R130 VanDerWaalsContact O-CB 3.31Å; Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 PolarHBondContact O-N 2.91Å
127	L	96.1	Very high	92	Very high	74 Å²	74	88.8 Å²	88.8	39%	0.387	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-48	175.8	-179.9	59.9	0	0	0	111.2	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.23Å; K123-L127 WeakPolarHBondContact O-CB 3.43Å; K123-L127 PolarHBondContact O-N 3.16Å; D124-L127 PolarHBondContact O-N 3.45Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.37Å; L127-R129 PolarHBondContact O-N 3Å; L127-R130 WeakPolarHBondContact O-CB 3.5Å; L127-R130 PolarHBondContact O-N 3.36Å; L127-I131 HydrophobicContact CD1-CD1 3.97Å; L127-I131 HydrophobicContact CD1-CG1 4.27Å; L127-I131 HydrophobicContact CG-CD1 3.97Å; L127-I131 WeakPolarHBondContact O-CG1 3.39Å; L127-I131 PolarHBondContact O-N 3.14Å
128	A	96.3	Very high	91.7	Very high	3 Å²	3	90.9 Å²	90.9	3%	0.025	49%	0.49	C	S	.	.	H	α-helix	trans	-57.1	-49.8	177.4	0	0	0	0	0	111.6	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.11Å; D107-A128 HydrophobicContact CB-CB 3.86Å; D124-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 PolarHBondContact O-N 3.47Å; I125-A128 PolarHBondContact O-N 2.97Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.15Å; A128-I131 PolarHBondContact O-N 3.48Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 3.1Å
129	R	96.2	Very high	91.4	Very high	93 Å²	93	88.4 Å²	88.4	35%	0.351	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-35.6	177.1	-70.1	-173.4	64.5	-154.2	-7.1	113.1	L104 I125 L127 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.76Å; L104-R129 HydrophobicContact CD2-CG 4.44Å; I125-R129 HydrophobicContact CG2-CG 4.41Å; I125-R129 WeakPolarHBondContact O-CB 3.42Å; I125-R129 WeakPolarHBondContact O-CG 3.42Å; I125-R129 PolarHBondContact O-N 3.44Å; L127-R129 PolarHBondContact O-N 3Å; R129-G133 PolarHBondContact O-N 3.27Å; R129-E134 IonicContact NE-OE2 3.65Å; R129-E134 PolarHBondContact O-N 2.91Å; R129-E134 VanDerWaalsContact O-N 3.12Å
130	R	95.7	Very high	91	Very high	189 Å²	189	88.2 Å²	88.2	71%	0.713	47%	0.466	S	S	*	.	H	α-helix	trans	-66	-44	175.8	-177.4	178.4	-178.3	177.2	1.2	111.4	Q126 L127 A128 R132 G133	Q126-R130 VanDerWaalsContact O-CB 3.31Å; Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 PolarHBondContact O-N 2.91Å; L127-R130 WeakPolarHBondContact O-CB 3.5Å; L127-R130 PolarHBondContact O-N 3.36Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.15Å; R130-R132 VanDerWaalsContact C-N 3.34Å; R130-G133 PolarHBondContact O-N 3.1Å
131	I	94.8	Very high	90.6	Very high	127 Å²	127	89.3 Å²	89.3	65%	0.651	47%	0.472	S	S	*	.	H	α-helix	trans	-66.6	-37.9	178.8	-66.7	168.7	0	0	0	110.9	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.97Å; L127-I131 HydrophobicContact CD1-CG1 4.27Å; L127-I131 HydrophobicContact CG-CD1 3.97Å; L127-I131 WeakPolarHBondContact O-CG1 3.39Å; L127-I131 PolarHBondContact O-N 3.14Å; A128-I131 PolarHBondContact O-N 3.48Å; I131-G133 PolarHBondContact O-N 2.74Å
132	R	94.5	Very high	90.1	Very high	85 Å²	85	89.9 Å²	89.9	32%	0.321	48%	0.477	S	S	.	.	H	α-helix	trans	-67.7	-16	175.9	-71.9	-175.5	176.6	-162.9	-8.3	114.9	G103 D107 A128 R130 E134	G103-R132 PolarHBondContact O-NH2 3.04Å; D107-R132 IonicContact OD2-CZ 2.69Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.43Å; D107-R132 IonicContact OD2-NH2 3.27Å; D107-R132 PolarHBondContact OD2-NH2 3.42Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 3.1Å; R130-R132 VanDerWaalsContact C-N 3.34Å; R132-E134 HydrophobicContact CB-CG 3.9Å; R132-E134 WeakPolarHBondContact CD-OE1 3.31Å; R132-E134 IonicContact NE-OE1 3.97Å; R132-E134 IonicContact NH1-OE1 3.11Å; R132-E134 PolarHBondContact NH1-OE1 3.44Å
133	G	93.2	Very high	89.5	Confident	61 Å²	61	91.4 Å²	91.4	63%	0.629	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	17.8	-174.2	0	0	0	0	0	114.5	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.27Å; R130-G133 PolarHBondContact O-N 3.1Å; I131-G133 PolarHBondContact O-N 2.74Å; G133-R135 VanDerWaalsContact C-N 3.27Å; G133-R135 PolarHBondContact O-N 3.24Å
134	E	85.4	Confident	89	Confident	64 Å²	64	89.3 Å²	89.3	30%	0.299	47%	0.467	S	S	.	.			trans	-83.5	-2.7	179.4	-64.7	173.6	-170.5	0	0	113.5	Y100 R129 R132	Y100-E134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.33Å; Y100-E134 PolarHBondContact OH-OE2 2.92Å; R129-E134 IonicContact NE-OE2 3.65Å; R129-E134 PolarHBondContact O-N 2.91Å; R129-E134 VanDerWaalsContact O-N 3.12Å; R132-E134 HydrophobicContact CB-CG 3.9Å; R132-E134 WeakPolarHBondContact CD-OE1 3.31Å; R132-E134 IonicContact NE-OE1 3.97Å; R132-E134 IonicContact NH1-OE1 3.11Å; R132-E134 PolarHBondContact NH1-OE1 3.44Å
135	R	65.2	Low	88.2	Confident	136 Å²	136	96.3 Å²	96.3	51%	0.513	50%	0.504	S	S	.	.			trans	-101.3	102	172.7	-118.8	178.2	173.4	170.3	-4.5	107.4	G133	G133-R135 VanDerWaalsContact C-N 3.27Å; G133-R135 PolarHBondContact O-N 3.24Å
136	A	48.3	Very low	87.4	Confident	173 Å²	173	100.1 Å²	100.1	100%	1.43	52%	0.524	S	S	*	.			trans	-71.2	0	150.4	0	0	0	0	0	108.9

Retrieved 136 of 136 residues in 119.2 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).