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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 A0A077ZQW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZQW1_TRITR|A0A077ZQW1
MARTKQTARKSTGGKAPRKQLATKAARKSAPSVGAVKKAHRYRPGTVALREIRRYQKSTELLMRRLPFQRLVREIAQDFKTDLRFQMSAVLALQEATEAYMVGLFEDTNLCAIHARRVTIMAKDIQLARRIRGERA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.9	Very low	63.8	Low	252 Å²	252	174.9 Å²	174.9	100%	1.241	90%	0.897	S	S	*	*				0	109	0	-93.2	177.1	174.1	0	0	109.1
2	A	62.2	Low	63.5	Low	101 Å²	101	170.8 Å²	170.8	84%	0.835	89%	0.886	S	S	*	*			trans	-98.4	115.9	174.8	0	0	0	0	0	109.5	T4	A2-T4 PolarHBondContact O-N 3.36Å
3	R	64.4	Low	62.6	Low	256 Å²	256	164.4 Å²	164.4	97%	0.966	89%	0.888	S	S	*	*			trans	-74.3	107.8	178.6	-115.6	-179.8	176.4	179.1	-0.6	109.4	K5	R3-K5 PolarHBondContact O-N 3.21Å
4	T	71.6	Confident	62.5	Low	130 Å²	130	157.6 Å²	157.6	80%	0.798	88%	0.876	S	S	*	*			trans	-78.4	113.6	167.2	41.1	0	0	0	0	109.3	A2 Q6	A2-T4 PolarHBondContact O-N 3.36Å; T4-Q6 PolarHBondContact O-N 2.87Å; T4-Q6 VanDerWaalsContact O-N 3.09Å
5	K	72.9	Confident	62.2	Low	201 Å²	201	160.7 Å²	160.7	87%	0.874	88%	0.877	S	S	*	*			trans	-74.5	95.9	177.3	-155.4	175.7	-172.3	179.5	0	108.4	R3 T7	R3-K5 PolarHBondContact O-N 3.21Å; K5-T7 PolarHBondContact O-N 3.4Å
6	Q	70.3	Confident	62.1	Low	190 Å²	190	156.8 Å²	156.8	89%	0.888	87%	0.872	S	S	*	*			trans	-61.8	118.3	168.6	-86.9	-173.5	-8.9	0	0	109	T4	T4-Q6 PolarHBondContact O-N 2.87Å; T4-Q6 VanDerWaalsContact O-N 3.09Å
7	T	65.6	Low	62	Low	128 Å²	128	155.3 Å²	155.3	79%	0.785	87%	0.871	S	S	*	*			trans	-85.5	124.3	167.5	47.2	0	0	0	0	109.2	K5 R9	K5-T7 PolarHBondContact O-N 3.4Å; T7-R9 PolarHBondContact O-N 3.47Å
8	A	65.5	Low	61.8	Low	102 Å²	102	160.6 Å²	160.6	84%	0.843	88%	0.875	S	S	*	*			trans	-64.8	113.8	178.2	0	0	0	0	0	110.6	K10	A8-K10 PolarHBondContact O-N 3.41Å
9	R	63.2	Low	61.3	Low	246 Å²	246	162.9 Å²	162.9	93%	0.928	88%	0.876	S	S	*	*			trans	-75.3	112.7	165.6	-88.8	-178.3	165	-179.2	-2.8	108.5	T7 S11	T7-R9 PolarHBondContact O-N 3.47Å; R9-S11 PolarHBondContact O-N 3.05Å
10	K	57.7	Low	60.8	Low	195 Å²	195	163.9 Å²	163.9	85%	0.848	88%	0.875	S	S	*	*			trans	-53	132.7	171.4	-75	-179.3	174.6	-179.4	0	110.3	A8 T12	A8-K10 PolarHBondContact O-N 3.41Å; K10-T12 VanDerWaalsContact C-N 3.26Å; K10-T12 PolarHBondContact O-N 3.41Å
11	S	60.2	Low	60.5	Low	123 Å²	123	164.2 Å²	164.2	86%	0.86	88%	0.876	S	S	*	*	S	Bend	trans	-77.3	9.7	-169.8	41.7	0	0	0	0	115.6	R9	R9-S11 PolarHBondContact O-N 3.05Å
12	T	60.3	Low	60.8	Low	125 Å²	125	156.2 Å²	156.2	77%	0.767	85%	0.85	S	S	*	*			trans	-136.1	71.1	-176.7	51.6	0	0	0	0	111	K10 G14	K10-T12 VanDerWaalsContact C-N 3.26Å; K10-T12 PolarHBondContact O-N 3.41Å; T12-G14 PolarHBondContact O-N 3.08Å
13	G	52.1	Low	60.3	Low	88 Å²	88	157.7 Å²	157.7	91%	0.907	85%	0.849	S	S	*	*			trans	-93.3	55.7	176.8	0	0	0	0	0	112.9
14	G	60.7	Low	59.8	Low	70 Å²	70	154.9 Å²	154.9	72%	0.722	84%	0.843	S	S	*	*			trans	-110.2	91.2	178.8	0	0	0	0	0	112.2	T12	T12-G14 PolarHBondContact O-N 3.08Å
15	K	59	Low	59.1	Low	204 Å²	204	153.4 Å²	153.4	89%	0.887	85%	0.845	S	S	*	*			trans	57.4	111.8	169	-64.2	-173.7	178.5	177	0	117.4
16	A	59.9	Low	58.1	Low	98 Å²	98	148.1 Å²	148.1	81%	0.81	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.5	165.6	0	0	0	0	0	111.2
17	P	60.1	Low	57.5	Low	131 Å²	131	150 Å²	150	85%	0.851	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79.8	123.8	178.4	31	-30.9	0	0	0	110
18	R	59.4	Low	56.9	Low	250 Å²	250	154.5 Å²	154.5	94%	0.943	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-102.1	125.3	175.8	-138.2	177.9	-175.1	-176	-0.2	109.6
19	K	51	Low	56.1	Low	206 Å²	206	154.5 Å²	154.5	90%	0.896	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-56	150.2	176.7	-92.7	177.7	170.3	180	0	112.4
20	Q	52.1	Low	55.9	Low	181 Å²	181	147.1 Å²	147.1	85%	0.846	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-51.6	140.5	-174.2	-63.2	162.6	-7.7	0	0	114.7
21	L	54	Low	55.9	Low	172 Å²	172	143.5 Å²	143.5	90%	0.901	83%	0.828	S	S	*	*				178.1	131.1	122.1	-107.1	102	0	0	0	110.6
22	A	55.4	Low	55.8	Low	84 Å²	84	142.3 Å²	142.3	69%	0.694	82%	0.82	S	S	*	*			trans	-4.1	147.4	171.4	0	0	0	0	0	123.5
23	T	50.9	Low	55.7	Low	132 Å²	132	144 Å²	144	81%	0.81	83%	0.829	S	S	*	*			trans	102.2	126.9	148.4	72	0	0	0	0	120
24	K	54.5	Low	56.4	Low	196 Å²	196	142.3 Å²	142.3	85%	0.852	81%	0.812	S	S	*	*			trans	72.6	123.6	167.1	-72.8	176.4	174.7	175	0	117.4	A26	K24-A26 PolarHBondContact O-N 3.49Å
25	A	57.1	Low	56.7	Low	100 Å²	100	144 Å²	144	83%	0.826	82%	0.82	S	S	*	*			trans	-59.2	80.1	167.3	0	0	0	0	0	110.8	R27	A25-R27 PolarHBondContact O-N 2.69Å
26	A	51.9	Low	57.3	Low	90 Å²	90	140.9 Å²	140.9	74%	0.744	82%	0.817	S	S	*	*			trans	-75.4	77.6	175	0	0	0	0	0	109.2	K24 K28	K24-A26 PolarHBondContact O-N 3.49Å; A26-K28 PolarHBondContact O-N 3.07Å
27	R	56	Low	58.2	Low	229 Å²	229	145.4 Å²	145.4	86%	0.864	82%	0.818	S	S	*	*			trans	-58	110.1	161.7	-74	-178.8	176.5	177.1	-0.3	107.1	A25 S29	A25-R27 PolarHBondContact O-N 2.69Å; R27-S29 PolarHBondContact O-N 2.98Å; R27-S29 PolarHBondContact O-OG 3.47Å
28	K	54.1	Low	59.2	Low	222 Å²	222	149 Å²	149	97%	0.965	82%	0.82	S	S	*	*	S	Bend	trans	-6.9	84.1	170.1	-72.3	177.7	175.8	175.2	0	114.2	A26	A26-K28 PolarHBondContact O-N 3.07Å
29	S	49.3	Very low	60.6	Low	102 Å²	102	141.5 Å²	141.5	71%	0.713	81%	0.812	S	S	*	*			trans	-129.1	115.1	170.4	56.7	0	0	0	0	108.2	R27	R27-S29 PolarHBondContact O-N 2.98Å; R27-S29 PolarHBondContact O-OG 3.47Å
30	A	57.5	Low	62.5	Low	92 Å²	92	138.9 Å²	138.9	76%	0.76	80%	0.803	S	S	*	*			trans	61	106.8	172.6	0	0	0	0	0	118.3	S32	A30-S32 PolarHBondContact O-N 3.09Å
31	P	58.2	Low	64.5	Low	119 Å²	119	141 Å²	141	77%	0.773	80%	0.803	S	S	*	*			trans	-69.7	124.8	143.2	21.9	-9.4	0	0	0	108.1
32	S	57.4	Low	66.4	Low	98 Å²	98	138.5 Å²	138.5	69%	0.685	78%	0.783	S	S	*	*	S	Bend	trans	-40.6	132.8	163.8	56	0	0	0	0	112.2	A30 G34	A30-S32 PolarHBondContact O-N 3.09Å; S32-G34 PolarHBondContact O-N 3.24Å
33	V	58.4	Low	68.3	Low	160 Å²	160	144.3 Å²	144.3	97%	0.97	79%	0.787	S	S	*	*	S	Bend	trans	36.4	64.7	150.6	-160.3	0	0	0	0	113.8
34	G	67.3	Low	70.5	Confident	52 Å²	52	144.2 Å²	144.2	54%	0.536	79%	0.788	S	S	.	*	S	Bend	trans	-157.7	146.5	177.2	0	0	0	0	0	109.4	S32 V36	S32-G34 PolarHBondContact O-N 3.24Å; G34-V36 PolarHBondContact O-N 3.29Å
35	A	68.2	Low	72.5	Confident	107 Å²	107	136.9 Å²	136.9	88%	0.884	77%	0.769	S	S	*	*			trans	-50.5	108.8	-179.1	0	0	0	0	0	110.4	K37	A35-K37 PolarHBondContact O-N 3.34Å; A35-K37 VanDerWaalsContact O-N 3.11Å
36	V	71.3	Confident	74.4	Confident	137 Å²	137	134.9 Å²	134.9	83%	0.83	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-55.9	120.2	175.2	178.8	0	0	0	0	106.8	G34 K38	G34-V36 PolarHBondContact O-N 3.29Å; V36-K38 PolarHBondContact O-N 3.07Å; V36-K38 VanDerWaalsContact O-N 3.14Å
37	K	77.2	Confident	76.6	Confident	194 Å²	194	132.9 Å²	132.9	84%	0.843	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-50.8	126.3	173.5	-75.8	-175.2	177	-177.4	0	107.8	A35 A39	A35-K37 PolarHBondContact O-N 3.34Å; A35-K37 VanDerWaalsContact O-N 3.11Å; K37-A39 PolarHBondContact O-N 2.98Å; K37-A39 VanDerWaalsContact O-N 3.11Å
38	K	83.1	Confident	78.6	Confident	205 Å²	205	124.1 Å²	124.1	89%	0.891	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-46.8	123	179.1	-71.1	-177.2	179	179.8	0	109	V36 H40	V36-K38 PolarHBondContact O-N 3.07Å; V36-K38 VanDerWaalsContact O-N 3.14Å; K38-H40 PolarHBondContact O-N 3.32Å
39	A	88.2	Confident	80.7	Confident	94 Å²	94	118.1 Å²	118.1	78%	0.777	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.9	134.8	176.7	0	0	0	0	0	109.2	K37 R41	K37-A39 PolarHBondContact O-N 2.98Å; K37-A39 VanDerWaalsContact O-N 3.11Å; A39-R41 PolarHBondContact O-N 3.34Å
40	H	90.8	Very high	83	Confident	151 Å²	151	118.7 Å²	118.7	70%	0.699	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-63.6	123.4	177.6	174.5	-83.8	0	0	0	109.6	K38 Y42	K38-H40 PolarHBondContact O-N 3.32Å; H40-Y42 AromaticContact CE1-CD1 3.87Å; H40-Y42 AromaticContact CE1-CE1 3.77Å; H40-Y42 AromaticContact CE1-CZ 3.96Å
41	R	93	Very high	84.9	Confident	224 Å²	224	118.7 Å²	118.7	85%	0.845	65%	0.65	S	S	*	*			trans	-120.7	127.1	175.5	-170.7	176	178.5	173	0.4	109.5	A39	A39-R41 PolarHBondContact O-N 3.34Å
42	Y	94.6	Very high	86.8	Confident	120 Å²	120	117 Å²	117	47%	0.471	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-63.7	146.7	171.1	-69.7	-74.7	0	0	0	110.6	H40 T46 V47	H40-Y42 AromaticContact CE1-CD1 3.87Å; H40-Y42 AromaticContact CE1-CE1 3.77Å; H40-Y42 AromaticContact CE1-CZ 3.96Å; Y42-T46 HydrophobicContact CD1-CG2 3.76Å; Y42-T46 HydrophobicContact CG-CG2 4.39Å; Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4Å
43	R	95.7	Very high	88.7	Confident	206 Å²	206	120 Å²	120	78%	0.777	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-64.3	147.7	173.1	-64.2	-176	177.6	-163.6	-0.7	109.9	G45 T46	R43-G45 PolarHBondContact O-N 2.9Å; R43-T46 VanDerWaalsContact O-CB 3.3Å; R43-T46 WeakPolarHBondContact O-CB 3.39Å; R43-T46 PolarHBondContact O-N 3.08Å; R43-T46 PolarHBondContact O-OG1 3.44Å
44	P	96.7	Very high	90.6	Very high	131 Å²	131	119.4 Å²	119.4	85%	0.851	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	138.1	171.2	-25.2	34.6	0	0	0	110.7	T46	P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 2.99Å
45	G	96.5	Very high	92.1	Very high	42 Å²	42	121.6 Å²	121.6	43%	0.433	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	86.1	-25.7	-175	0	0	0	0	0	115.3	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 2.9Å; G45-V47 PolarHBondContact O-N 3.42Å; G45-A48 PolarHBondContact O-N 3.3Å; G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 WeakPolarHBondContact O-CG 3.3Å; G45-L49 PolarHBondContact O-N 2.9Å
46	T	97.8	Very high	93.4	Very high	57 Å²	57	123.6 Å²	123.6	35%	0.35	59%	0.594	S	S	.	*	H	α-helix	trans	-63.3	-43	179.4	-57	0	0	0	0	112.4	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.76Å; Y42-T46 HydrophobicContact CG-CG2 4.39Å; R43-T46 VanDerWaalsContact O-CB 3.3Å; R43-T46 WeakPolarHBondContact O-CB 3.39Å; R43-T46 PolarHBondContact O-N 3.08Å; R43-T46 PolarHBondContact O-OG1 3.44Å; P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 2.99Å; T46-R50 PolarHBondContact O-N 3.47Å
47	V	97.5	Very high	94.7	Very high	48 Å²	48	125.9 Å²	125.9	29%	0.291	59%	0.593	S	S	.	*	H	α-helix	trans	-71.2	-43.1	178.4	-178	0	0	0	0	110.6	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.95Å; Y42-V47 HydrophobicContact CG-CG2 4Å; G45-V47 PolarHBondContact O-N 3.42Å; V47-L49 PolarHBondContact O-N 3.28Å; V47-R50 WeakPolarHBondContact O-CB 3.15Å; V47-R50 PolarHBondContact O-N 2.92Å; V47-R50 VanDerWaalsContact O-N 3.09Å; V47-E51 HydrophobicContact CG1-CG 4.45Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.43Å; V47-E51 WeakPolarHBondContact O-CG 3.39Å; V47-E51 PolarHBondContact O-N 3.23Å
48	A	97.5	Very high	95.6	Very high	46 Å²	46	118.6 Å²	118.6	38%	0.38	57%	0.566	S	S	.	*	H	α-helix	trans	-58.1	-47.6	177.6	0	0	0	0	0	112.1	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.3Å; A48-R50 PolarHBondContact O-N 2.98Å; A48-E51 PolarHBondContact O-N 2.95Å; A48-E51 VanDerWaalsContact O-N 3.16Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 2.98Å
49	L	97.8	Very high	96.3	Very high	95 Å²	95	115.6 Å²	115.6	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-63.3	-30.6	176.9	-72.3	174.1	0	0	0	113.1	G45 V47 R53	G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 WeakPolarHBondContact O-CG 3.3Å; G45-L49 PolarHBondContact O-N 2.9Å; V47-L49 PolarHBondContact O-N 3.28Å; L49-R53 VanDerWaalsContact O-CG 3.28Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 3.47Å
50	R	98	Very high	96.6	Very high	114 Å²	114	116 Å²	116	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-71.8	-40.6	175.1	-178.9	174	59.9	-127.3	2.5	111.3	T46 V47 A48 R54	T46-R50 PolarHBondContact O-N 3.47Å; V47-R50 WeakPolarHBondContact O-CB 3.15Å; V47-R50 PolarHBondContact O-N 2.92Å; V47-R50 VanDerWaalsContact O-N 3.09Å; A48-R50 PolarHBondContact O-N 2.98Å; R50-R54 WeakPolarHBondContact O-CB 3.43Å; R50-R54 PolarHBondContact O-N 3.45Å
51	E	97.8	Very high	96.9	Very high	92 Å²	92	110.9 Å²	110.9	43%	0.43	53%	0.528	S	S	.	.	H	α-helix	trans	-65.7	-45.7	175.7	-73	169.8	-175.4	0	0	111.6	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.45Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.43Å; V47-E51 WeakPolarHBondContact O-CG 3.39Å; V47-E51 PolarHBondContact O-N 3.23Å; A48-E51 PolarHBondContact O-N 2.95Å; A48-E51 VanDerWaalsContact O-N 3.16Å; E51-R53 PolarHBondContact O-N 3.43Å; E51-R54 WeakPolarHBondContact O-CB 3.38Å; E51-R54 PolarHBondContact O-N 2.66Å; E51-Y55 HydrophobicContact CB-CD2 4.29Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 WeakPolarHBondContact O-CD2 3.43Å; E51-Y55 PolarHBondContact O-N 3.37Å
52	I	97.7	Very high	97.1	Very high	85 Å²	85	104.8 Å²	104.8	44%	0.436	51%	0.512	S	S	.	.	H	α-helix	trans	-55.1	-50.9	175.7	-66.9	167.5	0	0	0	110.5	A48 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 2.98Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.47Å; I52-Y55 PolarHBondContact O-N 3.36Å; I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.3Å; I52-Q56 VanDerWaalsContact O-CG 3.31Å; I52-Q56 WeakPolarHBondContact O-CG 3.28Å; I52-Q56 PolarHBondContact O-N 3.07Å
53	R	97.9	Very high	97.2	Very high	161 Å²	161	102.5 Å²	102.5	61%	0.608	51%	0.507	S	S	*	.	H	α-helix	trans	-64.6	-30.4	178.3	-69.4	177.3	-154.1	-128.2	3.7	113.4	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.28Å; L49-R53 WeakPolarHBondContact O-CG 3.49Å; L49-R53 PolarHBondContact O-N 3.47Å; E51-R53 PolarHBondContact O-N 3.43Å; R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.37Å
54	R	98	Very high	97.3	Very high	146 Å²	146	102.5 Å²	102.5	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-68.7	-53.8	176	177.1	-174.1	168.2	-172.4	-6.4	109.5	R50 E51 I52 Q56 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.43Å; R50-R54 PolarHBondContact O-N 3.45Å; E51-R54 WeakPolarHBondContact O-CB 3.38Å; E51-R54 PolarHBondContact O-N 2.66Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.47Å; R54-Q56 PolarHBondContact O-N 3.15Å; R54-K57 PolarHBondContact O-N 3Å; R54-K57 VanDerWaalsContact O-N 3.13Å; R54-S58 PolarHBondContact O-N 3.36Å; R54-S58 PolarHBondContact O-OG 3.01Å; R54-E60 IonicContact NH2-OE1 3.58Å
55	Y	97.8	Very high	97.2	Very high	98 Å²	98	104.5 Å²	104.5	38%	0.384	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-32.2	-175	-63.5	-51.1	0	0	0	113	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.29Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 WeakPolarHBondContact O-CD2 3.43Å; E51-Y55 PolarHBondContact O-N 3.37Å; I52-Y55 PolarHBondContact O-N 3.36Å; Y55-K57 PolarHBondContact O-N 3.12Å; Y55-S58 WeakPolarHBondContact CA-OG 3.48Å; Y55-S58 PolarHBondContact O-N 3.41Å; Y55-S58 PolarHBondContact O-OG 3.05Å; Y55-S58 VanDerWaalsContact O-OG 3.11Å; Y55-L62 HydrophobicContact CD1-CD2 3.71Å; Y55-L62 HydrophobicContact CE1-CD2 3.85Å; Y55-L62 HydrophobicContact CG-CD2 4.49Å
56	Q	97.3	Very high	97.1	Very high	149 Å²	149	107 Å²	107	70%	0.696	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.7	172.3	-75.3	-179	-28.5	0	0	114	I52 R54	I52-Q56 HydrophobicContact CG2-CG 4.36Å; I52-Q56 WeakPolarHBondContact O-CB 3.3Å; I52-Q56 VanDerWaalsContact O-CG 3.31Å; I52-Q56 WeakPolarHBondContact O-CG 3.28Å; I52-Q56 PolarHBondContact O-N 3.07Å; R54-Q56 PolarHBondContact O-N 3.15Å
57	K	98	Very high	97.1	Very high	186 Å²	186	107.8 Å²	107.8	81%	0.809	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-20	177.2	-74.8	179.6	178.6	-168.3	0	113.2	R53 R54 Y55	R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.37Å; R54-K57 PolarHBondContact O-N 3Å; R54-K57 VanDerWaalsContact O-N 3.13Å; Y55-K57 PolarHBondContact O-N 3.12Å
58	S	96.5	Very high	97.2	Very high	40 Å²	40	106 Å²	106	28%	0.28	50%	0.495	S	S	.	.			trans	-99.8	158.9	-178.8	57.8	0	0	0	0	111.1	R54 Y55	R54-S58 PolarHBondContact O-N 3.36Å; R54-S58 PolarHBondContact O-OG 3.01Å; Y55-S58 WeakPolarHBondContact CA-OG 3.48Å; Y55-S58 PolarHBondContact O-N 3.41Å; Y55-S58 PolarHBondContact O-OG 3.05Å; Y55-S58 VanDerWaalsContact O-OG 3.11Å
59	T	96.3	Very high	97.1	Very high	142 Å²	142	106.5 Å²	106.5	87%	0.871	49%	0.489	S	S	*	.			trans	-119.3	24	171.9	62.6	0	0	0	0	111
60	E	96.1	Very high	97.1	Very high	102 Å²	102	109.9 Å²	109.9	48%	0.477	50%	0.495	S	S	.	.			trans	-75.7	138.3	179.2	65.5	-176.7	170.3	0	0	110.6	R54 L62	R54-E60 IonicContact NH2-OE1 3.58Å; E60-L62 HydrophobicContact CG-CD2 4.19Å; E60-L62 PolarHBondContact O-N 3.45Å
61	L	96.8	Very high	97.1	Very high	44 Å²	44	108.1 Å²	108.1	23%	0.23	49%	0.494	C	S	.	.			trans	-64.4	128	170.7	-66.9	175.5	0	0	0	110.2	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CB 4.48Å; L61-Q94 HydrophobicContact CD1-CG 4.06Å; L61-Q94 HydrophobicContact CD2-CG 4.31Å; L61-E95 HydrophobicContact CD2-CG 4.27Å; L61-E98 WeakPolarHBondContact CA-OE2 3.41Å; L61-E98 HydrophobicContact CD2-CB 4.46Å; L61-E98 HydrophobicContact CD2-CG 4.38Å
62	L	97.1	Very high	97.1	Very high	97 Å²	97	104.7 Å²	104.7	51%	0.508	48%	0.479	S	S	.	.			trans	-91.5	-26.7	-173.5	-56.4	-177.9	0	0	0	112.4	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.71Å; Y55-L62 HydrophobicContact CE1-CD2 3.85Å; Y55-L62 HydrophobicContact CG-CD2 4.49Å; E60-L62 HydrophobicContact CG-CD2 4.19Å; E60-L62 PolarHBondContact O-N 3.45Å; L62-E98 PolarHBondContact N-OE1 2.93Å; L62-E98 PolarHBondContact N-OE2 3.49Å
63	M	96.4	Very high	97	Very high	72 Å²	72	105.1 Å²	105.1	36%	0.355	48%	0.475	S	S	.	.	S	Bend	trans	-77.9	139.1	175.4	-61.6	-173.2	75.3	0	0	110.9	R65 F68 Q94 E98 M101	M63-R65 PolarHBondContact O-N 2.89Å; M63-F68 HydrophobicContact CE-CD2 3.93Å; M63-F68 HydrophobicContact SD-CD2 3.96Å; M63-F68 HydrophobicContact SD-CE2 4.37Å; M63-Q94 PolarHBondContact O-NE2 2.96Å; M63-E98 VanDerWaalsContact CB-OE1 3.29Å; M63-E98 WeakPolarHBondContact CB-OE1 3.35Å; M63-E98 HydrophobicContact CG-CG 4.01Å; M63-E98 PolarHBondContact N-OE1 2.87Å; M63-E98 HydrophobicContact SD-CG 4.17Å; M63-M101 HydrophobicContact SD-SD 4.49Å
64	R	97.2	Very high	96.9	Very high	205 Å²	205	103.7 Å²	103.7	77%	0.774	48%	0.476	S	S	*	.			trans	-67.4	126.9	175.5	-66.3	-178.5	179.2	-174.5	0.1	109.6	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.35Å; R64-P67 HydrophobicContact CB-CG 3.93Å; R64-P67 WeakPolarHBondContact O-CD 3.22Å; R64-F68 PolarHBondContact O-N 3.23Å
65	R	94.2	Very high	96.9	Very high	173 Å²	173	100.8 Å²	100.8	65%	0.653	47%	0.47	S	S	*	.	H	α-helix	trans	-52.8	-47.9	-176.8	-66	-176.8	178.5	179.9	-1.2	114	M63 F68 Q69	M63-R65 PolarHBondContact O-N 2.89Å; R65-F68 PolarHBondContact O-N 3.34Å; R65-Q69 WeakPolarHBondContact O-CB 3.47Å; R65-Q69 PolarHBondContact O-N 3.3Å
66	L	96.4	Very high	96.9	Very high	94 Å²	94	96.8 Å²	96.8	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-67.8	-49.1	-174.8	176.3	65.8	0	0	0	113.4	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.35Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.5Å; L66-Q69 PolarHBondContact O-N 3.46Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 3.45Å
67	P	97.9	Very high	96.8	Very high	74 Å²	74	94.3 Å²	94.3	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-56.9	-43.6	171.6	-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 3.22Å; P67-Q69 PolarHBondContact O-N 3.03Å; P67-R70 PolarHBondContact O-N 2.9Å; P67-L71 PolarHBondContact O-N 2.69Å; P67-L71 VanDerWaalsContact O-N 3.09Å
68	F	97.9	Very high	96.7	Very high	11 Å²	11	92 Å²	92	5%	0.048	44%	0.442	C	S	.	.	H	α-helix	trans	-61.2	-46	177.8	-176.2	-93.8	0	0	0	111.5	M63 R64 R65 L66 R70 L71 V72 V90 L93 Q94 T97	M63-F68 HydrophobicContact CE-CD2 3.93Å; M63-F68 HydrophobicContact SD-CD2 3.96Å; M63-F68 HydrophobicContact SD-CE2 4.37Å; R64-F68 PolarHBondContact O-N 3.23Å; R65-F68 PolarHBondContact O-N 3.34Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.5Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.67Å; F68-L71 PolarHBondContact O-N 3.18Å; F68-V72 HydrophobicContact CD1-CG2 3.96Å; F68-V72 HydrophobicContact CE1-CG2 3.49Å; F68-V72 VanDerWaalsContact CE1-CG2 3.49Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CG2 3.38Å; F68-V72 PolarHBondContact O-N 2.92Å; F68-V90 HydrophobicContact CD1-CG1 4.25Å; F68-V90 HydrophobicContact CE1-CG1 4.44Å; F68-L93 HydrophobicContact CE1-CB 4.08Å; F68-L93 HydrophobicContact CZ-CB 4.15Å; F68-Q94 HydrophobicContact CD1-CB 3.76Å; F68-Q94 HydrophobicContact CD1-CG 3.99Å; F68-Q94 HydrophobicContact CD2-CG 4.4Å; F68-Q94 VanDerWaalsContact CE1-CA 3.45Å; F68-Q94 HydrophobicContact CE1-CB 3.49Å; F68-Q94 VanDerWaalsContact CE1-CB 3.49Å; F68-Q94 HydrophobicContact CE1-CG 4.1Å; F68-Q94 HydrophobicContact CE2-CG 4.49Å; F68-Q94 HydrophobicContact CG-CB 4.42Å; F68-Q94 HydrophobicContact CG-CG 4.17Å; F68-Q94 VanDerWaalsContact CZ-CA 3.41Å; F68-Q94 HydrophobicContact CZ-CB 3.93Å; F68-Q94 HydrophobicContact CZ-CG 4.36Å; F68-T97 HydrophobicContact CE2-CG2 4.08Å
69	Q	96.7	Very high	96.7	Very high	56 Å²	56	98.3 Å²	98.3	26%	0.262	47%	0.465	S	S	.	.	H	α-helix	trans	-59.7	-38.8	176.1	178.1	-178.5	-24.5	0	0	112.8	R65 L66 P67 R73 V90	R65-Q69 WeakPolarHBondContact O-CB 3.47Å; R65-Q69 PolarHBondContact O-N 3.3Å; L66-Q69 PolarHBondContact O-N 3.46Å; P67-Q69 PolarHBondContact O-N 3.03Å; Q69-R73 WeakPolarHBondContact O-CG 3.49Å; Q69-R73 PolarHBondContact O-N 3.3Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; Q69-V90 HydrophobicContact CB-CG1 4.1Å; Q69-V90 HydrophobicContact CG-CG1 4.33Å
70	R	97.3	Very high	96.7	Very high	166 Å²	166	98.1 Å²	98.1	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-63.6	-46.3	177	-72.8	175.8	-178.1	-175.5	-1.3	110.9	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 3.45Å; P67-R70 PolarHBondContact O-N 2.9Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.67Å; R70-V72 PolarHBondContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.93Å; R70-E74 WeakPolarHBondContact O-CB 3.5Å; R70-E74 PolarHBondContact O-N 3.34Å
71	L	97.7	Very high	96.6	Very high	78 Å²	78	97.1 Å²	97.1	41%	0.408	45%	0.453	S	S	.	.	H	α-helix	trans	-60.7	-44.4	176.9	179.6	63.8	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 2.69Å; P67-L71 VanDerWaalsContact O-N 3.09Å; F68-L71 PolarHBondContact O-N 3.18Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.92Å; L71-E74 PolarHBondContact O-N 2.55Å; L71-I75 HydrophobicContact CD1-CD1 3.9Å; L71-I75 HydrophobicContact CD1-CG1 4.2Å; L71-I75 HydrophobicContact CG-CD1 3.92Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 3.42Å
72	V	97.2	Very high	96.4	Very high	20 Å²	20	101.7 Å²	101.7	12%	0.121	48%	0.478	C	S	.	.	H	α-helix	trans	-58.6	-42.2	176.7	168.7	0	0	0	0	111.4	F68 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.96Å; F68-V72 HydrophobicContact CE1-CG2 3.49Å; F68-V72 VanDerWaalsContact CE1-CG2 3.49Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CG2 3.38Å; F68-V72 PolarHBondContact O-N 2.92Å; R70-V72 PolarHBondContact O-N 3.13Å; V72-A76 WeakPolarHBondContact O-CB 3.18Å; V72-A76 PolarHBondContact O-N 3.33Å; V72-F85 HydrophobicContact CG1-CD1 4.34Å; V72-F85 HydrophobicContact CG1-CE1 3.9Å; V72-F85 HydrophobicContact CG1-CZ 4.15Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.23Å
73	R	96.2	Very high	96.3	Very high	93 Å²	93	100.4 Å²	100.4	35%	0.351	47%	0.471	S	S	.	.	H	α-helix	trans	-72.1	-37.2	179.6	-71.5	175.7	-179.3	-82.2	2.3	112.6	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.49Å; Q69-R73 PolarHBondContact O-N 3.3Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.93Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.92Å; R73-A76 PolarHBondContact O-N 2.91Å; R73-Q77 WeakPolarHBondContact O-CB 3.34Å; R73-Q77 PolarHBondContact O-N 3.49Å; R73-F85 HydrophobicContact CG-CD2 4.24Å; R73-F85 HydrophobicContact CG-CE2 4.35Å
74	E	96.7	Very high	96.3	Very high	131 Å²	131	108.4 Å²	108.4	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-59	-54.2	173.8	-176.8	-177.7	157.8	0	0	110.5	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.5Å; R70-E74 PolarHBondContact O-N 3.34Å; L71-E74 PolarHBondContact O-N 2.55Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 2.92Å; E74-Q77 WeakPolarHBondContact O-CB 3.47Å; E74-Q77 PolarHBondContact O-N 3.35Å
75	I	97.2	Very high	96.2	Very high	86 Å²	86	101.3 Å²	101.3	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-42.1	178.5	-65.2	169.5	0	0	0	111.2	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.9Å; L71-I75 HydrophobicContact CD1-CG1 4.2Å; L71-I75 HydrophobicContact CG-CD1 3.92Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 3.42Å; I75-Q77 VanDerWaalsContact C-N 3.28Å; I75-Q77 PolarHBondContact O-N 3.13Å; I75-D78 PolarHBondContact O-N 3.16Å; I75-F79 HydrophobicContact CG2-CE2 3.92Å; I75-F79 WeakPolarHBondContact O-CD2 3.4Å; I75-F79 WeakPolarHBondContact O-CE2 3.28Å
76	A	97	Very high	96.4	Very high	14 Å²	14	99.9 Å²	99.9	12%	0.116	47%	0.473	C	S	.	.	H	α-helix	trans	-65.4	-32	-179.4	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 WeakPolarHBondContact O-CB 3.18Å; V72-A76 PolarHBondContact O-N 3.33Å; R73-A76 PolarHBondContact O-N 2.91Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 2.92Å; A76-D78 PolarHBondContact O-N 3.2Å; A76-F79 PolarHBondContact O-N 3Å; A76-F79 VanDerWaalsContact O-N 3.15Å; A76-K80 PolarHBondContact O-N 3.3Å; A76-K80 VanDerWaalsContact O-N 3.07Å; A76-L83 HydrophobicContact CB-CD1 4.04Å; A76-F85 HydrophobicContact CB-CE2 3.82Å; A76-F85 HydrophobicContact CB-CZ 3.48Å; A76-F85 VanDerWaalsContact CB-CZ 3.48Å
77	Q	96.2	Very high	96.3	Very high	97 Å²	97	101.6 Å²	101.6	45%	0.453	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-31.9	178.7	-172.3	69.9	19.1	0	0	111.8	R73 E74 I75 F79	R73-Q77 WeakPolarHBondContact O-CB 3.34Å; R73-Q77 PolarHBondContact O-N 3.49Å; E74-Q77 WeakPolarHBondContact O-CB 3.47Å; E74-Q77 PolarHBondContact O-N 3.35Å; I75-Q77 VanDerWaalsContact C-N 3.28Å; I75-Q77 PolarHBondContact O-N 3.13Å; Q77-F79 PolarHBondContact O-N 3.33Å
78	D	96.5	Very high	96.2	Very high	137 Å²	137	101.5 Å²	101.5	73%	0.733	48%	0.481	S	S	*	.	H	α-helix	trans	-67	-23.6	177.5	-65.1	-22.3	0	0	0	112.9	I75 A76	I75-D78 PolarHBondContact O-N 3.16Å; A76-D78 PolarHBondContact O-N 3.2Å
79	F	96.2	Very high	96.2	Very high	173 Å²	173	102.7 Å²	102.7	76%	0.759	49%	0.493	S	S	*	.	H	α-helix	trans	-96.1	-41.4	179	-63.1	-81.5	0	0	0	112.8	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.92Å; I75-F79 WeakPolarHBondContact O-CD2 3.4Å; I75-F79 WeakPolarHBondContact O-CE2 3.28Å; A76-F79 PolarHBondContact O-N 3Å; A76-F79 VanDerWaalsContact O-N 3.15Å; Q77-F79 PolarHBondContact O-N 3.33Å
80	K	95.9	Very high	96.2	Very high	138 Å²	138	100.5 Å²	100.5	60%	0.6	48%	0.483	S	S	*	.			trans	-156	125.3	179.4	179	163.4	-179.8	164.4	0	110.7	A76 L83	A76-K80 PolarHBondContact O-N 3.3Å; A76-K80 VanDerWaalsContact O-N 3.07Å; K80-L83 HydrophobicContact CB-CD1 3.97Å; K80-L83 HydrophobicContact CB-CD2 4.38Å; K80-L83 HydrophobicContact CB-CG 4.06Å; K80-L83 HydrophobicContact CD-CD2 4.02Å; K80-L83 HydrophobicContact CG-CD2 4.1Å; K80-L83 HydrophobicContact CG-CG 4.08Å; K80-L83 WeakPolarHBondContact O-CD1 3.45Å; K80-L83 WeakPolarHBondContact O-CG 3.49Å
81	T	94.4	Very high	96.2	Very high	80 Å²	80	95.4 Å²	95.4	49%	0.491	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	155.2	175	69.5	0	0	0	0	111	L83	T81-L83 VanDerWaalsContact C-N 3.31Å; T81-L83 PolarHBondContact O-N 3.48Å
82	D	92.9	Very high	96.2	Very high	141 Å²	141	94.5 Å²	94.5	75%	0.754	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	24.8	171.7	-51.4	-60.7	0	0	0	115.8
83	L	94.8	Very high	96.2	Very high	69 Å²	69	97.1 Å²	97.1	36%	0.361	49%	0.485	S	S	.	.			trans	-69.2	132.3	173.6	-73	175.8	0	0	0	112.6	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.04Å; K80-L83 HydrophobicContact CB-CD1 3.97Å; K80-L83 HydrophobicContact CB-CD2 4.38Å; K80-L83 HydrophobicContact CB-CG 4.06Å; K80-L83 HydrophobicContact CD-CD2 4.02Å; K80-L83 HydrophobicContact CG-CD2 4.1Å; K80-L83 HydrophobicContact CG-CG 4.08Å; K80-L83 WeakPolarHBondContact O-CD1 3.45Å; K80-L83 WeakPolarHBondContact O-CG 3.49Å; T81-L83 VanDerWaalsContact C-N 3.31Å; T81-L83 PolarHBondContact O-N 3.48Å; L83-F85 HydrophobicContact CB-CE2 4.01Å
84	R	95.5	Very high	96.3	Very high	240 Å²	240	92.8 Å²	92.8	91%	0.906	47%	0.469	S	S	*	.			trans	-101.4	136.1	168.9	-66.4	-176.2	177	-170.5	-0.5	109.8
85	F	95.9	Very high	96.3	Very high	56 Å²	56	91.6 Å²	91.6	25%	0.246	46%	0.463	C	S	.	.			trans	-110	132.3	178.1	-73.1	-95.8	0	0	0	110.2	V72 R73 A76 L83 V90	V72-F85 HydrophobicContact CG1-CD1 4.34Å; V72-F85 HydrophobicContact CG1-CE1 3.9Å; V72-F85 HydrophobicContact CG1-CZ 4.15Å; R73-F85 HydrophobicContact CG-CD2 4.24Å; R73-F85 HydrophobicContact CG-CE2 4.35Å; A76-F85 HydrophobicContact CB-CE2 3.82Å; A76-F85 HydrophobicContact CB-CZ 3.48Å; A76-F85 VanDerWaalsContact CB-CZ 3.48Å; L83-F85 HydrophobicContact CB-CE2 4.01Å; F85-V90 HydrophobicContact CB-CG2 3.82Å; F85-V90 HydrophobicContact CD1-CG2 4.31Å; F85-V90 HydrophobicContact CG-CG2 4.3Å
86	Q	97.1	Very high	96.4	Very high	143 Å²	143	90.4 Å²	90.4	67%	0.668	47%	0.466	S	S	*	.			trans	-65.7	150.9	162.3	-67.7	-179.7	-39.6	0	0	109.7	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.38Å; Q86-A89 HydrophobicContact CB-CB 4.22Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.43Å; Q86-V90 PolarHBondContact O-N 2.94Å
87	M	94.5	Very high	96.4	Very high	131 Å²	131	92.1 Å²	92.1	65%	0.645	48%	0.476	S	S	*	.	H	α-helix	trans	-60.7	-41.3	175.6	-175.8	62.2	71.3	0	0	111.5	A89 V90 L91	M87-A89 VanDerWaalsContact C-N 3.31Å; M87-A89 PolarHBondContact O-N 3.31Å; M87-V90 PolarHBondContact O-N 2.88Å; M87-L91 HydrophobicContact CG-CD1 4.33Å; M87-L91 WeakPolarHBondContact O-CG 3.46Å; M87-L91 PolarHBondContact O-N 3.36Å
88	S	97.1	Very high	96.5	Very high	71 Å²	71	88.4 Å²	88.4	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-60.6	-37	176.2	49.1	0	0	0	0	112.8	Q86 L91 A92	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.38Å; S88-L91 PolarHBondContact O-N 3.11Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 2.72Å
89	A	97.4	Very high	96.6	Very high	37 Å²	37	85.1 Å²	85.1	31%	0.306	45%	0.45	S	S	.	.	H	α-helix	trans	-64.8	-43.5	178.2	0	0	0	0	0	111.7	Q86 M87 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.22Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.43Å; M87-A89 VanDerWaalsContact C-N 3.31Å; M87-A89 PolarHBondContact O-N 3.31Å; A89-A92 PolarHBondContact O-N 2.92Å; A89-L93 WeakPolarHBondContact O-CG 3.49Å; A89-L93 PolarHBondContact O-N 2.85Å; A89-L93 VanDerWaalsContact O-N 3.08Å
90	V	96.6	Very high	96.6	Very high	9 Å²	9	81.4 Å²	81.4	6%	0.055	43%	0.431	C	S	.	.	H	α-helix	trans	-66.2	-40.1	176.5	-176.8	0	0	0	0	111	F68 Q69 F85 Q86 M87 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.25Å; F68-V90 HydrophobicContact CE1-CG1 4.44Å; Q69-V90 HydrophobicContact CB-CG1 4.1Å; Q69-V90 HydrophobicContact CG-CG1 4.33Å; F85-V90 HydrophobicContact CB-CG2 3.82Å; F85-V90 HydrophobicContact CD1-CG2 4.31Å; F85-V90 HydrophobicContact CG-CG2 4.3Å; Q86-V90 PolarHBondContact O-N 2.94Å; M87-V90 PolarHBondContact O-N 2.88Å; V90-L93 PolarHBondContact O-N 2.91Å; V90-Q94 PolarHBondContact O-N 3.49Å
91	L	97	Very high	96.7	Very high	59 Å²	59	78.4 Å²	78.4	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-63	-43.9	175.6	-71.8	175.5	0	0	0	112.1	M87 S88 L93 Q94 E95	M87-L91 HydrophobicContact CG-CD1 4.33Å; M87-L91 WeakPolarHBondContact O-CG 3.46Å; M87-L91 PolarHBondContact O-N 3.36Å; S88-L91 PolarHBondContact O-N 3.11Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.13Å; L91-Q94 WeakPolarHBondContact O-CB 3.27Å; L91-Q94 PolarHBondContact O-N 3.37Å; L91-Q94 VanDerWaalsContact O-N 3.08Å; L91-E95 WeakPolarHBondContact O-CG 3.44Å; L91-E95 PolarHBondContact O-N 3.49Å
92	A	97.8	Very high	96.8	Very high	59 Å²	59	78.1 Å²	78.1	49%	0.488	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-41.5	177.5	0	0	0	0	0	112	S88 A89 Q94 A96	S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 2.72Å; A89-A92 PolarHBondContact O-N 2.92Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 2.89Å; A92-A96 WeakPolarHBondContact O-CB 3.29Å; A92-A96 PolarHBondContact O-N 3.45Å
93	L	97.8	Very high	97	Very high	76 Å²	76	72.3 Å²	72.3	40%	0.398	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-40	173	-70.6	170.6	0	0	0	111.5	F68 V72 A89 V90 L91 T97	F68-L93 HydrophobicContact CE1-CB 4.08Å; F68-L93 HydrophobicContact CZ-CB 4.15Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.23Å; A89-L93 WeakPolarHBondContact O-CG 3.49Å; A89-L93 PolarHBondContact O-N 2.85Å; A89-L93 VanDerWaalsContact O-N 3.08Å; V90-L93 PolarHBondContact O-N 2.91Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.13Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.33Å; L93-T97 PolarHBondContact O-N 3.36Å; L93-T97 PolarHBondContact O-OG1 3.02Å
94	Q	97.8	Very high	97.1	Very high	2 Å²	2	70 Å²	70	1%	0.009	38%	0.379	C	S	.	.	H	α-helix	trans	-66.5	-50.4	180	-169.5	173.2	-15	0	0	111.7	L61 M63 F68 V90 L91 A92 A96 T97 E98	L61-Q94 HydrophobicContact CD1-CB 4.48Å; L61-Q94 HydrophobicContact CD1-CG 4.06Å; L61-Q94 HydrophobicContact CD2-CG 4.31Å; M63-Q94 PolarHBondContact O-NE2 2.96Å; F68-Q94 HydrophobicContact CD1-CB 3.76Å; F68-Q94 HydrophobicContact CD1-CG 3.99Å; F68-Q94 HydrophobicContact CD2-CG 4.4Å; F68-Q94 VanDerWaalsContact CE1-CA 3.45Å; F68-Q94 HydrophobicContact CE1-CB 3.49Å; F68-Q94 VanDerWaalsContact CE1-CB 3.49Å; F68-Q94 HydrophobicContact CE1-CG 4.1Å; F68-Q94 HydrophobicContact CE2-CG 4.49Å; F68-Q94 HydrophobicContact CG-CB 4.42Å; F68-Q94 HydrophobicContact CG-CG 4.17Å; F68-Q94 VanDerWaalsContact CZ-CA 3.41Å; F68-Q94 HydrophobicContact CZ-CB 3.93Å; F68-Q94 HydrophobicContact CZ-CG 4.36Å; V90-Q94 PolarHBondContact O-N 3.49Å; L91-Q94 WeakPolarHBondContact O-CB 3.27Å; L91-Q94 PolarHBondContact O-N 3.37Å; L91-Q94 VanDerWaalsContact O-N 3.08Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 2.89Å; Q94-A96 PolarHBondContact O-N 2.97Å; Q94-T97 PolarHBondContact O-N 3.23Å; Q94-E98 HydrophobicContact CG-CG 4.43Å; Q94-E98 PolarHBondContact NE2-OE1 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.41Å; Q94-E98 PolarHBondContact O-N 3.21Å
95	E	97.7	Very high	97.2	Very high	105 Å²	105	63 Å²	63	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-54.3	-50.3	176.3	-70.8	-75.3	172	0	0	111.3	L61 L91 T97 E98 A99	L61-E95 HydrophobicContact CD2-CG 4.27Å; L91-E95 WeakPolarHBondContact O-CG 3.44Å; L91-E95 PolarHBondContact O-N 3.49Å; E95-T97 PolarHBondContact O-N 2.89Å; E95-E98 PolarHBondContact O-N 3.2Å; E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.39Å; E95-A99 PolarHBondContact O-N 3.37Å
96	A	98	Very high	97.3	Very high	62 Å²	62	66 Å²	66	51%	0.512	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-41.4	179	0	0	0	0	0	112.6	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.29Å; A92-A96 PolarHBondContact O-N 3.45Å; Q94-A96 PolarHBondContact O-N 2.97Å; A96-Y100 WeakPolarHBondContact O-CB 3.29Å; A96-Y100 PolarHBondContact O-N 3.29Å
97	T	98	Very high	97.3	Very high	50 Å²	50	61.7 Å²	61.7	31%	0.307	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-47.2	179.9	-57.7	0	0	0	0	111.2	F68 L93 Q94 E95 Y100 M101	F68-T97 HydrophobicContact CE2-CG2 4.08Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.33Å; L93-T97 PolarHBondContact O-N 3.36Å; L93-T97 PolarHBondContact O-OG1 3.02Å; Q94-T97 PolarHBondContact O-N 3.23Å; E95-T97 PolarHBondContact O-N 2.89Å; T97-Y100 PolarHBondContact O-N 2.94Å; T97-M101 HydrophobicContact CG2-CG 4.48Å; T97-M101 HydrophobicContact CG2-SD 4.33Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 3.48Å
98	E	97.9	Very high	97.5	Very high	19 Å²	19	55.5 Å²	55.5	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-41.5	-179.8	-69.5	-164.8	-149.5	0	0	111.4	L61 L62 M63 Q94 E95 Y100 M101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.41Å; L61-E98 HydrophobicContact CD2-CB 4.46Å; L61-E98 HydrophobicContact CD2-CG 4.38Å; L62-E98 PolarHBondContact N-OE1 2.93Å; L62-E98 PolarHBondContact N-OE2 3.49Å; M63-E98 VanDerWaalsContact CB-OE1 3.29Å; M63-E98 WeakPolarHBondContact CB-OE1 3.35Å; M63-E98 HydrophobicContact CG-CG 4.01Å; M63-E98 PolarHBondContact N-OE1 2.87Å; M63-E98 HydrophobicContact SD-CG 4.17Å; Q94-E98 HydrophobicContact CG-CG 4.43Å; Q94-E98 PolarHBondContact NE2-OE1 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.41Å; Q94-E98 PolarHBondContact O-N 3.21Å; E95-E98 PolarHBondContact O-N 3.2Å; E98-Y100 PolarHBondContact O-N 3.38Å; E98-M101 PolarHBondContact O-N 2.91Å; E98-V102 VanDerWaalsContact O-CG2 3.3Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 3.28Å
99	A	97.6	Very high	97.6	Very high	67 Å²	67	55.4 Å²	55.4	55%	0.554	32%	0.315	S	S	*	.	H	α-helix	trans	-59.5	-45.4	174.1	0	0	0	0	0	112.2	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.39Å; E95-A99 PolarHBondContact O-N 3.37Å; A99-V102 PolarHBondContact O-N 3.46Å; A99-G103 PolarHBondContact O-N 3.43Å
100	Y	97.2	Very high	97.6	Very high	96 Å²	96	58.9 Å²	58.9	38%	0.376	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-46.4	175.6	171.4	-98	0	0	0	111.9	A96 T97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.29Å; A96-Y100 PolarHBondContact O-N 3.29Å; T97-Y100 PolarHBondContact O-N 2.94Å; E98-Y100 PolarHBondContact O-N 3.38Å; Y100-G103 PolarHBondContact O-N 3.27Å; Y100-L104 HydrophobicContact CE1-CD2 4.12Å; Y100-L104 WeakPolarHBondContact O-CB 3.39Å; Y100-L104 PolarHBondContact O-N 3.45Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.48Å; Y100-E134 WeakPolarHBondContact CE2-OE2 3.3Å; Y100-E134 PolarHBondContact OH-OE2 2.9Å
101	M	97	Very high	97.6	Very high	75 Å²	75	59.1 Å²	59.1	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-43.8	179.6	-73.3	-171.6	75.6	0	0	112.1	M63 T97 E98 L104 F105	M63-M101 HydrophobicContact SD-SD 4.49Å; T97-M101 HydrophobicContact CG2-CG 4.48Å; T97-M101 HydrophobicContact CG2-SD 4.33Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 3.48Å; E98-M101 PolarHBondContact O-N 2.91Å; M101-L104 PolarHBondContact O-N 3.22Å; M101-F105 HydrophobicContact CB-CE2 4.41Å; M101-F105 HydrophobicContact CE-CE2 3.93Å; M101-F105 HydrophobicContact CE-CZ 4.37Å; M101-F105 WeakPolarHBondContact O-CD2 3.06Å; M101-F105 PolarHBondContact O-N 2.96Å
102	V	97.4	Very high	97.7	Very high	74 Å²	74	56.3 Å²	56.3	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-50.7	176.6	170.9	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 3.28Å; A99-V102 PolarHBondContact O-N 3.46Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 3.33Å; V102-F105 PolarHBondContact O-N 2.87Å; V102-F105 VanDerWaalsContact O-N 3.12Å; V102-E106 WeakPolarHBondContact O-CG 3.3Å; V102-E106 PolarHBondContact O-N 3.03Å
103	G	96.9	Very high	97.7	Very high	18 Å²	18	58 Å²	58	19%	0.186	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-41.3	177.3	0	0	0	0	0	112.5	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.43Å; Y100-G103 PolarHBondContact O-N 3.27Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.46Å; G103-E106 PolarHBondContact O-N 3.25Å; G103-D107 PolarHBondContact O-N 3.31Å; G103-R132 PolarHBondContact O-NH2 3.34Å
104	L	97.2	Very high	97.7	Very high	21 Å²	21	62.3 Å²	62.3	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-37.9	176.7	179.9	61.4	0	0	0	111.9	Y100 M101 V102 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.12Å; Y100-L104 WeakPolarHBondContact O-CB 3.39Å; Y100-L104 PolarHBondContact O-N 3.45Å; M101-L104 PolarHBondContact O-N 3.22Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 3.33Å; L104-D107 PolarHBondContact O-N 3.02Å; L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.36Å; L104-T108 PolarHBondContact O-N 3.34Å; L104-T108 PolarHBondContact O-OG1 2.91Å; L104-I125 HydrophobicContact CD2-CG2 4.12Å; L104-I125 HydrophobicContact CG-CG2 4.49Å; L104-A128 HydrophobicContact CD1-CB 4.1Å; L104-R129 HydrophobicContact CD1-CG 3.81Å; L104-R129 HydrophobicContact CD2-CG 4.47Å
105	F	98.1	Very high	97.7	Very high	94 Å²	94	64.5 Å²	64.5	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-69.7	-31.9	176.3	-78.1	-57	0	0	0	113	M101 V102 G103 T108 N109 I120	M101-F105 HydrophobicContact CB-CE2 4.41Å; M101-F105 HydrophobicContact CE-CE2 3.93Å; M101-F105 HydrophobicContact CE-CZ 4.37Å; M101-F105 WeakPolarHBondContact O-CD2 3.06Å; M101-F105 PolarHBondContact O-N 2.96Å; V102-F105 PolarHBondContact O-N 2.87Å; V102-F105 VanDerWaalsContact O-N 3.12Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.46Å; F105-T108 PolarHBondContact O-N 3.17Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 3.47Å; F105-I120 HydrophobicContact CD1-CD1 3.87Å; F105-I120 HydrophobicContact CE1-CD1 3.97Å
106	E	97.7	Very high	97.7	Very high	118 Å²	118	71 Å²	71	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-50.5	172.2	-70.6	177.5	174.8	0	0	110.9	V102 G103 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.3Å; V102-E106 PolarHBondContact O-N 3.03Å; G103-E106 PolarHBondContact O-N 3.25Å; E106-T108 PolarHBondContact O-N 3.18Å; E106-N109 WeakPolarHBondContact O-CB 3.26Å; E106-N109 PolarHBondContact O-N 3.47Å; E106-L110 WeakPolarHBondContact O-CG 3.35Å; E106-L110 PolarHBondContact O-N 2.97Å
107	D	97.7	Very high	97.7	Very high	53 Å²	53	70.3 Å²	70.3	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-42.1	176.9	-71.2	-11.6	0	0	0	112.1	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.31Å; L104-D107 PolarHBondContact O-N 3.02Å; D107-N109 VanDerWaalsContact C-N 3.25Å; D107-N109 PolarHBondContact O-N 3.23Å; D107-L110 WeakPolarHBondContact O-CB 3.33Å; D107-L110 PolarHBondContact O-N 3.06Å; D107-L110 VanDerWaalsContact O-N 3.13Å; D107-C111 PolarHBondContact O-N 3.33Å; D107-C111 PolarHBondContact O-SG 3.23Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D107-R132 IonicContact OD2-CZ 3.12Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.3Å; D107-R132 IonicContact OD2-NH2 2.69Å; D107-R132 PolarHBondContact OD2-NH2 3.32Å
108	T	98.3	Very high	97.7	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-40.3	175.8	-60.8	0	0	0	0	111	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.36Å; L104-T108 PolarHBondContact O-N 3.34Å; L104-T108 PolarHBondContact O-OG1 2.91Å; F105-T108 PolarHBondContact O-N 3.17Å; E106-T108 PolarHBondContact O-N 3.18Å; T108-C111 PolarHBondContact O-N 3.35Å; T108-A112 PolarHBondContact O-N 3.39Å; T108-I120 HydrophobicContact CG2-CB 3.86Å; T108-I120 HydrophobicContact CG2-CG2 3.87Å; T108-D124 HydrophobicContact CG2-CB 3.62Å; T108-I125 HydrophobicContact CG2-CG1 3.54Å
109	N	98.1	Very high	97.7	Very high	69 Å²	69	77.7 Å²	77.7	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.5	-175.9	49.2	0	0	0	111.3	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 3.47Å; E106-N109 WeakPolarHBondContact O-CB 3.26Å; E106-N109 PolarHBondContact O-N 3.47Å; D107-N109 VanDerWaalsContact C-N 3.25Å; D107-N109 PolarHBondContact O-N 3.23Å; N109-C111 VanDerWaalsContact C-N 3.34Å; N109-C111 PolarHBondContact O-N 3.09Å; N109-A112 PolarHBondContact O-N 2.88Å; N109-I113 VanDerWaalsContact O-CG1 3.3Å; N109-I113 WeakPolarHBondContact O-CG1 3.42Å; N109-I113 PolarHBondContact O-N 3.16Å; N109-I120 HydrophobicContact CB-CG2 4.47Å
110	L	98	Very high	97.7	Very high	110 Å²	110	77.9 Å²	77.9	58%	0.576	39%	0.393	S	S	*	.	H	α-helix	trans	-60.9	-41.8	173.1	-64.1	177	0	0	0	111.8	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.35Å; E106-L110 PolarHBondContact O-N 2.97Å; D107-L110 WeakPolarHBondContact O-CB 3.33Å; D107-L110 PolarHBondContact O-N 3.06Å; D107-L110 VanDerWaalsContact O-N 3.13Å; L110-A112 PolarHBondContact O-N 3.16Å; L110-I113 PolarHBondContact O-N 3.4Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-N 3.05Å
111	C	97.8	Very high	97.8	Very high	15 Å²	15	77.3 Å²	77.3	10%	0.101	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-40	174.2	-68.5	0	0	0	0	112.7	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.33Å; D107-C111 PolarHBondContact O-SG 3.23Å; T108-C111 PolarHBondContact O-N 3.35Å; N109-C111 VanDerWaalsContact C-N 3.34Å; N109-C111 PolarHBondContact O-N 3.09Å; C111-H114 PolarHBondContact O-N 3.07Å; C111-A115 PolarHBondContact O-N 3.15Å; C111-D124 HydrophobicContact CB-CB 3.97Å; C111-L127 HydrophobicContact CB-CD2 4.22Å
112	A	98.2	Very high	97.8	Very high	0 Å²	0	77 Å²	77	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-65.1	-45	176.3	0	0	0	0	0	111.7	T108 N109 L110 H114 A115 R116 R117 I120	T108-A112 PolarHBondContact O-N 3.39Å; N109-A112 PolarHBondContact O-N 2.88Å; L110-A112 PolarHBondContact O-N 3.16Å; A112-H114 VanDerWaalsContact C-N 3.35Å; A112-A115 CarbonylContact O-C 3.25Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A112-R116 PolarHBondContact O-N 3.28Å; A112-R117 CarbonylContact C-O 3.46Å; A112-R117 VanDerWaalsContact C-O 3.25Å; A112-R117 PolarHBondContact O-N 2.95Å; A112-R117 VanDerWaalsContact O-O 3.07Å; A112-I120 HydrophobicContact CB-CG2 4.02Å
113	I	98.1	Very high	97.8	Very high	94 Å²	94	79 Å²	79	48%	0.482	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.8	-68.6	167	0	0	0	110.7	N109 L110 A115 R116 R117	N109-I113 VanDerWaalsContact O-CG1 3.3Å; N109-I113 WeakPolarHBondContact O-CG1 3.42Å; N109-I113 PolarHBondContact O-N 3.16Å; L110-I113 PolarHBondContact O-N 3.4Å; I113-A115 PolarHBondContact O-N 3.49Å; I113-R116 WeakPolarHBondContact O-CA 3.42Å; I113-R116 PolarHBondContact O-N 2.74Å; I113-R117 PolarHBondContact N-O 2.78Å
114	H	97.8	Very high	97.8	Very high	167 Å²	167	78.3 Å²	78.3	77%	0.773	40%	0.399	S	S	*	.	H	α-helix	trans	-56.4	-37.4	175.8	-177.6	75.5	0	0	0	111.9	L110 C111 A112 R116	L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-N 3.05Å; C111-H114 PolarHBondContact O-N 3.07Å; A112-H114 VanDerWaalsContact C-N 3.35Å; H114-R116 VanDerWaalsContact C-N 3.26Å; H114-R116 PolarHBondContact O-N 3.33Å
115	A	97.8	Very high	97.8	Very high	47 Å²	47	80 Å²	80	39%	0.388	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	18.2	175.4	0	0	0	0	0	114.4	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.15Å; A112-A115 CarbonylContact O-C 3.25Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-A115 VanDerWaalsContact O-N 3.16Å; I113-A115 PolarHBondContact O-N 3.49Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 2.92Å
116	R	97.9	Very high	97.7	Very high	242 Å²	242	81.9 Å²	81.9	91%	0.913	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.8	-179.2	-54.1	-177.4	-175.5	-163	1.1	114.3	A112 I113 H114	A112-R116 PolarHBondContact O-N 3.28Å; I113-R116 WeakPolarHBondContact O-CA 3.42Å; I113-R116 PolarHBondContact O-N 2.74Å; H114-R116 VanDerWaalsContact C-N 3.26Å; H114-R116 PolarHBondContact O-N 3.33Å
117	R	98.1	Very high	97.6	Very high	47 Å²	47	79.7 Å²	79.7	18%	0.177	41%	0.409	C	S	.	.			trans	-117.9	154.5	175.3	-71.4	176.1	-71.3	106.4	-2.2	110.6	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.46Å; A112-R117 VanDerWaalsContact C-O 3.25Å; A112-R117 PolarHBondContact O-N 2.95Å; A112-R117 VanDerWaalsContact O-O 3.07Å; I113-R117 PolarHBondContact N-O 2.78Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 2.92Å; R117-T119 PolarHBondContact NH1-O 3.28Å; R117-T119 VanDerWaalsContact NH1-O 3.07Å; 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 3.49Å; R117-D124 PolarHBondContact NH1-OD1 2.94Å; R117-D124 IonicContact NH1-OD2 2.74Å; R117-D124 PolarHBondContact NH1-OD2 3.44Å; R117-D124 IonicContact NH2-OD1 2.69Å; R117-D124 PolarHBondContact NH2-OD1 3.44Å; R117-D124 IonicContact NH2-OD2 3.49Å; R117-D124 PolarHBondContact NH2-OD2 3.39Å
118	V	96.9	Very high	97.6	Very high	132 Å²	132	77.3 Å²	77.3	80%	0.8	40%	0.397	S	S	*	.	S	Bend	trans	-103.9	-15	170.6	-63.5	0	0	0	0	112.5
119	T	98.2	Very high	97.5	Very high	92 Å²	92	82.2 Å²	82.2	56%	0.564	42%	0.415	S	S	*	.	S	Bend	trans	-98	119.7	178.4	-52.3	0	0	0	0	109	R117	R117-T119 PolarHBondContact NH1-O 3.28Å; R117-T119 VanDerWaalsContact NH1-O 3.07Å
120	I	97.8	Very high	97.4	Very high	71 Å²	71	86.1 Å²	86.1	36%	0.364	43%	0.425	S	S	.	.			trans	-67.2	145	172.2	60.7	172.3	0	0	0	111	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.87Å; F105-I120 HydrophobicContact CE1-CD1 3.97Å; T108-I120 HydrophobicContact CG2-CB 3.86Å; T108-I120 HydrophobicContact CG2-CG2 3.87Å; N109-I120 HydrophobicContact CB-CG2 4.47Å; A112-I120 HydrophobicContact CB-CG2 4.02Å
121	M	98.3	Very high	97.2	Very high	84 Å²	84	87 Å²	87	41%	0.414	43%	0.429	S	S	.	.			trans	-131.8	162.2	-179.2	-63.1	178.8	175.9	0	0	110.1	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 3.98Å; M121-K123 PolarHBondContact O-N 2.69Å; M121-K123 VanDerWaalsContact O-N 3.15Å; M121-K123 VanDerWaalsContact SD-CE 3.55Å; M121-D124 PolarHBondContact N-OD2 3.35Å; M121-D124 WeakPolarHBondContact O-CB 3.41Å; M121-D124 PolarHBondContact O-N 3.49Å; M121-I125 PolarHBondContact O-N 3.05Å
122	A	97.6	Very high	97.1	Very high	69 Å²	69	90.4 Å²	90.4	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-55.2	-35.4	178.4	0	0	0	0	0	113.3	D124 I125 Q126	A122-D124 VanDerWaalsContact C-N 3.25Å; A122-D124 PolarHBondContact O-N 3.33Å; A122-I125 PolarHBondContact O-N 3.16Å; A122-Q126 WeakPolarHBondContact O-CG 3.33Å; A122-Q126 PolarHBondContact O-N 3.25Å
123	K	96.9	Very high	96.8	Very high	115 Å²	115	93.2 Å²	93.2	50%	0.5	47%	0.469	S	S	.	.	H	α-helix	trans	-62.7	-29.1	175.5	63.6	177.4	178.5	-178.5	0	113.8	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.33Å; M121-K123 HydrophobicContact CB-CG 3.98Å; M121-K123 PolarHBondContact O-N 2.69Å; M121-K123 VanDerWaalsContact O-N 3.15Å; M121-K123 VanDerWaalsContact SD-CE 3.55Å; K123-L127 WeakPolarHBondContact O-CB 3.28Å; K123-L127 PolarHBondContact O-N 3.39Å
124	D	97.8	Very high	96.1	Very high	5 Å²	5	91.6 Å²	91.6	3%	0.027	46%	0.459	C	S	.	.	H	α-helix	trans	-72.8	-40	179.2	-56.2	-40.2	0	0	0	109.8	T108 C111 R117 M121 A122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.62Å; 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 3.49Å; R117-D124 PolarHBondContact NH1-OD1 2.94Å; R117-D124 IonicContact NH1-OD2 2.74Å; R117-D124 PolarHBondContact NH1-OD2 3.44Å; R117-D124 IonicContact NH2-OD1 2.69Å; R117-D124 PolarHBondContact NH2-OD1 3.44Å; R117-D124 IonicContact NH2-OD2 3.49Å; R117-D124 PolarHBondContact NH2-OD2 3.39Å; M121-D124 PolarHBondContact N-OD2 3.35Å; M121-D124 WeakPolarHBondContact O-CB 3.41Å; M121-D124 PolarHBondContact O-N 3.49Å; A122-D124 VanDerWaalsContact C-N 3.25Å; A122-D124 PolarHBondContact O-N 3.33Å; D124-L127 PolarHBondContact O-N 3.09Å; D124-A128 WeakPolarHBondContact O-CB 3.49Å; D124-A128 PolarHBondContact O-N 3.21Å
125	I	96.9	Very high	94.7	Very high	55 Å²	55	91.5 Å²	91.5	28%	0.282	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-45.8	174.3	-59.5	174.8	0	0	0	110.1	L104 T108 M121 A122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.12Å; L104-I125 HydrophobicContact CG-CG2 4.49Å; T108-I125 HydrophobicContact CG2-CG1 3.54Å; M121-I125 PolarHBondContact O-N 3.05Å; A122-I125 PolarHBondContact O-N 3.16Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.42Å; I125-A128 PolarHBondContact O-N 3.44Å; I125-R129 HydrophobicContact CG2-CG 4.47Å; I125-R129 WeakPolarHBondContact O-CB 3.18Å; I125-R129 WeakPolarHBondContact O-CG 3.28Å; I125-R129 PolarHBondContact O-N 3.36Å
126	Q	96.3	Very high	92.5	Very high	134 Å²	134	97 Å²	97	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-60.8	-40.8	177.6	-70.7	171.2	-4.6	0	0	111.8	A122 R130	A122-Q126 WeakPolarHBondContact O-CG 3.33Å; A122-Q126 PolarHBondContact O-N 3.25Å; Q126-R130 VanDerWaalsContact O-CB 3.29Å; Q126-R130 WeakPolarHBondContact O-CB 3.42Å; Q126-R130 PolarHBondContact O-N 3.47Å
127	L	96.1	Very high	92.2	Very high	73 Å²	73	89.7 Å²	89.7	38%	0.382	48%	0.476	S	S	.	.	H	α-helix	trans	-65.5	-47.6	176.1	-179.7	59.4	0	0	0	111.5	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.22Å; K123-L127 WeakPolarHBondContact O-CB 3.28Å; K123-L127 PolarHBondContact O-N 3.39Å; D124-L127 PolarHBondContact O-N 3.09Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.42Å; L127-R129 PolarHBondContact O-N 3.06Å; L127-R130 WeakPolarHBondContact O-CB 3.38Å; L127-R130 PolarHBondContact O-N 2.84Å; L127-I131 HydrophobicContact CD1-CD1 3.98Å; L127-I131 HydrophobicContact CD1-CG1 4.29Å; L127-I131 HydrophobicContact CG-CD1 4Å; L127-I131 WeakPolarHBondContact O-CG1 3.35Å; L127-I131 PolarHBondContact O-N 3.25Å
128	A	96.3	Very high	91.9	Very high	3 Å²	3	91.9 Å²	91.9	3%	0.025	49%	0.492	C	S	.	.	H	α-helix	trans	-57.3	-50.5	177.3	0	0	0	0	0	111.6	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.1Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D124-A128 WeakPolarHBondContact O-CB 3.49Å; D124-A128 PolarHBondContact O-N 3.21Å; I125-A128 PolarHBondContact O-N 3.44Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-R130 PolarHBondContact O-N 3.37Å; A128-I131 PolarHBondContact O-N 2.9Å; A128-I131 VanDerWaalsContact O-N 3.16Å; A128-R132 WeakPolarHBondContact O-CG 3.39Å; A128-R132 PolarHBondContact O-N 3.21Å
129	R	96.2	Very high	91.6	Very high	102 Å²	102	89.7 Å²	89.7	39%	0.385	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-37.6	176.6	-72.1	-174.4	62.2	-157.4	-6.3	112.9	L104 I125 L127 R132 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.81Å; L104-R129 HydrophobicContact CD2-CG 4.47Å; I125-R129 HydrophobicContact CG2-CG 4.47Å; I125-R129 WeakPolarHBondContact O-CB 3.18Å; I125-R129 WeakPolarHBondContact O-CG 3.28Å; I125-R129 PolarHBondContact O-N 3.36Å; L127-R129 PolarHBondContact O-N 3.06Å; R129-R132 PolarHBondContact O-N 3.09Å; R129-G133 PolarHBondContact O-N 3.14Å; R129-E134 PolarHBondContact NH2-O 3.49Å; R129-E134 PolarHBondContact O-N 2.73Å; R129-E134 VanDerWaalsContact O-N 3.09Å
130	R	95.6	Very high	91.2	Very high	152 Å²	152	89.6 Å²	89.6	57%	0.574	47%	0.469	S	S	*	.	H	α-helix	trans	-63.7	-42.9	175.9	179.9	179.5	-177.4	168.2	-0.2	111.6	Q126 L127 A128 G133	Q126-R130 VanDerWaalsContact O-CB 3.29Å; Q126-R130 WeakPolarHBondContact O-CB 3.42Å; Q126-R130 PolarHBondContact O-N 3.47Å; L127-R130 WeakPolarHBondContact O-CB 3.38Å; L127-R130 PolarHBondContact O-N 2.84Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-R130 PolarHBondContact O-N 3.37Å; R130-G133 PolarHBondContact O-N 3.11Å
131	I	94.8	Very high	90.8	Very high	127 Å²	127	90.8 Å²	90.8	65%	0.651	48%	0.476	S	S	*	.	H	α-helix	trans	-68.6	-38.3	179.4	-66.8	168.3	0	0	0	110.8	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.98Å; L127-I131 HydrophobicContact CD1-CG1 4.29Å; L127-I131 HydrophobicContact CG-CD1 4Å; L127-I131 WeakPolarHBondContact O-CG1 3.35Å; L127-I131 PolarHBondContact O-N 3.25Å; A128-I131 PolarHBondContact O-N 2.9Å; A128-I131 VanDerWaalsContact O-N 3.16Å; I131-G133 PolarHBondContact O-N 3.11Å
132	R	94.5	Very high	90.3	Very high	87 Å²	87	91.2 Å²	91.2	33%	0.328	48%	0.48	S	S	.	.	H	α-helix	trans	-66.8	-17.2	175.4	-70.4	-174.6	177.3	-163.3	-7.9	114.6	G103 D107 A128 R129 E134	G103-R132 PolarHBondContact O-NH2 3.34Å; D107-R132 IonicContact OD2-CZ 3.12Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.3Å; D107-R132 IonicContact OD2-NH2 2.69Å; D107-R132 PolarHBondContact OD2-NH2 3.32Å; A128-R132 WeakPolarHBondContact O-CG 3.39Å; A128-R132 PolarHBondContact O-N 3.21Å; R129-R132 PolarHBondContact O-N 3.09Å; R132-E134 HydrophobicContact CB-CG 3.86Å; R132-E134 WeakPolarHBondContact CD-OE1 3.33Å; R132-E134 IonicContact NH1-OE1 3.49Å; R132-E134 PolarHBondContact NH1-OE1 3.45Å
133	G	93.6	Very high	89.8	Confident	60 Å²	60	92.8 Å²	92.8	62%	0.619	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	12.5	-174	0	0	0	0	0	114.4	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.14Å; R130-G133 PolarHBondContact O-N 3.11Å; I131-G133 PolarHBondContact O-N 3.11Å; G133-R135 PolarHBondContact O-N 3.07Å; G133-R135 VanDerWaalsContact O-N 3.07Å
134	E	83.6	Confident	89.3	Confident	60 Å²	60	91.1 Å²	91.1	28%	0.28	47%	0.472	S	S	.	.			trans	-84.5	32.4	-177.3	-62.9	173.3	-174.3	0	0	113.1	Y100 R129 R132	Y100-E134 WeakPolarHBondContact CE2-OE1 3.48Å; Y100-E134 WeakPolarHBondContact CE2-OE2 3.3Å; Y100-E134 PolarHBondContact OH-OE2 2.9Å; R129-E134 PolarHBondContact NH2-O 3.49Å; R129-E134 PolarHBondContact O-N 2.73Å; R129-E134 VanDerWaalsContact O-N 3.09Å; R132-E134 HydrophobicContact CB-CG 3.86Å; R132-E134 WeakPolarHBondContact CD-OE1 3.33Å; R132-E134 IonicContact NH1-OE1 3.49Å; R132-E134 PolarHBondContact NH1-OE1 3.45Å
135	R	67	Low	88.6	Confident	165 Å²	165	98.3 Å²	98.3	62%	0.623	51%	0.509	S	S	*	.			trans	-70.2	138.4	176.8	-85.8	-176.9	167.9	-177.1	-9	109.6	G133	G133-R135 PolarHBondContact O-N 3.07Å; G133-R135 VanDerWaalsContact O-N 3.07Å
136	A	52	Low	87.8	Confident	161 Å²	161	102.2 Å²	102.2	100%	1.331	53%	0.529	S	S	*	.			trans	-62.5	0	155.7	0	0	0	0	0	109.3

Retrieved 136 of 136 residues in 120.5 ms (Link to these results)

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