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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 A0A077ZKP0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZKP0_TRITR|A0A077ZKP0
MARTKQTARKSTGGKAPRKQLATKAARKSAPSVGAVKKAHRYRPGTVALREIRRYQKSTELLMRRLPFQRLVREIAQDFKADLRFQMSAVLALQEATEAYMVGLFEDTNLCAIHARRVTIMAKDIQLARRIRGERA
					

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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	48.1	Very low	64.8	Low	250 Å²	250	175.4 Å²	175.4	100%	1.232	90%	0.899	S	S	*	*				0	110.1	0	-83	176.1	174.3	0	0	109.1
2	A	62.3	Low	64.6	Low	102 Å²	102	170.8 Å²	170.8	84%	0.843	89%	0.886	S	S	*	*			trans	-90.2	121	178.4	0	0	0	0	0	110.3	T4	A2-T4 PolarHBondContact O-N 3.27Å
3	R	64.5	Low	63.8	Low	255 Å²	255	164.2 Å²	164.2	96%	0.962	89%	0.886	S	S	*	*			trans	-83.3	109.4	-174.8	-146	179.9	-171.2	-175.4	2.8	109.5	K5	R3-K5 PolarHBondContact O-N 3.31Å
4	T	71.1	Confident	63.6	Low	135 Å²	135	157.3 Å²	157.3	83%	0.828	87%	0.872	S	S	*	*			trans	-76.3	115.2	172.8	39.3	0	0	0	0	110.2	A2 Q6	A2-T4 PolarHBondContact O-N 3.27Å; T4-Q6 PolarHBondContact O-N 3.32Å
5	K	73.1	Confident	63.4	Low	199 Å²	199	160.5 Å²	160.5	87%	0.865	87%	0.873	S	S	*	*			trans	-78.3	98.3	178.8	-153.2	176.7	-172.6	179.7	0	108.6	R3 T7	R3-K5 PolarHBondContact O-N 3.31Å; K5-T7 PolarHBondContact O-N 2.98Å
6	Q	70.6	Confident	63.2	Low	193 Å²	193	156.4 Å²	156.4	90%	0.902	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-63.2	120.1	168.3	-82.3	-174.4	-4.9	0	0	109	T4	T4-Q6 PolarHBondContact O-N 3.32Å
7	T	68.3	Low	63	Low	127 Å²	127	155 Å²	155	78%	0.779	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-88.1	127.1	169.6	47.6	0	0	0	0	109.6	K5 R9	K5-T7 PolarHBondContact O-N 2.98Å; T7-R9 PolarHBondContact O-N 3.19Å
8	A	64.7	Low	62.8	Low	102 Å²	102	160.1 Å²	160.1	84%	0.843	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-65.5	121.3	179.8	0	0	0	0	0	111.2	K10	A8-K10 PolarHBondContact O-N 2.96Å
9	R	63.1	Low	62.3	Low	252 Å²	252	162.9 Å²	162.9	95%	0.951	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-75.2	119.1	167.5	-105.7	179.6	165.2	-178.6	-3	108.8	T7	T7-R9 PolarHBondContact O-N 3.19Å
10	K	61.8	Low	61.6	Low	192 Å²	192	163.5 Å²	163.5	84%	0.835	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-57.7	136.8	172.4	-71.8	-177	176.7	-177.6	0	110.4	A8 T12	A8-K10 PolarHBondContact O-N 2.96Å; K10-T12 PolarHBondContact O-N 3.13Å
11	S	65.7	Low	61.3	Low	122 Å²	122	163.5 Å²	163.5	85%	0.853	87%	0.871	S	S	*	*	S	Bend	trans	-71	-4.9	-173.1	48.1	0	0	0	0	115.3
12	T	62.5	Low	61.8	Low	120 Å²	120	155.8 Å²	155.8	74%	0.736	85%	0.846	S	S	*	*			trans	-118.3	74.2	-177.8	53.8	0	0	0	0	110.5	K10 G14	K10-T12 PolarHBondContact O-N 3.13Å; T12-G14 PolarHBondContact O-N 3.46Å; T12-G14 VanDerWaalsContact O-N 3.14Å
13	G	53	Low	61.1	Low	86 Å²	86	157.2 Å²	157.2	89%	0.887	85%	0.845	S	S	*	*			trans	-83.2	69.9	178.5	0	0	0	0	0	113
14	G	61.4	Low	60.7	Low	67 Å²	67	154.4 Å²	154.4	69%	0.691	84%	0.839	S	S	*	*			trans	-119.9	86.7	178.7	0	0	0	0	0	112.6	T12	T12-G14 PolarHBondContact O-N 3.46Å; T12-G14 VanDerWaalsContact O-N 3.14Å
15	K	60.4	Low	60.1	Low	205 Å²	205	152.9 Å²	152.9	89%	0.891	84%	0.841	S	S	*	*			trans	51.5	123.7	167	-64.9	-173	179.2	177.1	0	118.5
16	A	61.3	Low	59.1	Low	95 Å²	95	147.4 Å²	147.4	79%	0.785	83%	0.833	S	S	*	*			trans	-61.6	139.6	170.2	0	0	0	0	0	112
17	P	58.5	Low	58.4	Low	133 Å²	133	149.4 Å²	149.4	86%	0.864	83%	0.832	S	S	*	*			trans	-76.6	125.5	179.2	30.7	-32.2	0	0	0	110.1
18	R	60	Low	57.8	Low	247 Å²	247	153.5 Å²	153.5	93%	0.932	84%	0.839	S	S	*	*			trans	-106.4	124.5	177.1	-141.9	176.9	-173.4	-175.9	0.4	109.8
19	K	52.6	Low	57.2	Low	213 Å²	213	153.6 Å²	153.6	93%	0.926	83%	0.833	S	S	*	*			trans	-59	153	174.8	-90.5	-179.9	172	-178.9	0	112.1
20	Q	49.9	Very low	57	Low	175 Å²	175	144.9 Å²	144.9	82%	0.818	82%	0.815	S	S	*	*			trans	-61.4	158.1	-165.2	-65.4	168.7	-5.4	0	0	117.7
21	L	53.9	Low	56.8	Low	164 Å²	164	140.7 Å²	140.7	86%	0.859	81%	0.807	S	S	*	*			trans	122.9	129.6	144.2	-82.7	110.2	0	0	0	116.9
22	A	58.2	Low	56.5	Low	87 Å²	87	140.7 Å²	140.7	72%	0.719	81%	0.808	S	S	*	*			trans	81.3	97.2	161.1	0	0	0	0	0	120.2
23	T	49.1	Very low	56.3	Low	132 Å²	132	141.3 Å²	141.3	81%	0.81	81%	0.811	S	S	*	*				36	99.1	128.7	47.5	0	0	0	0	119.3
24	K	55.2	Low	56.9	Low	196 Å²	196	139.6 Å²	139.6	85%	0.852	79%	0.794	S	S	*	*			trans	-176.4	131.7	134.3	-106.3	165.5	-178	176.6	0	108.7	A26	K24-A26 PolarHBondContact O-N 3.39Å
25	A	57.9	Low	57.1	Low	104 Å²	104	141.5 Å²	141.5	86%	0.86	80%	0.802	S	S	*	*			trans	-66.2	70.3	167.3	0	0	0	0	0	110	R27	A25-R27 VanDerWaalsContact C-N 3.25Å; A25-R27 PolarHBondContact O-N 3.47Å
26	A	52.5	Low	57.6	Low	84 Å²	84	137.2 Å²	137.2	69%	0.694	79%	0.793	S	S	*	*			trans	-80.2	74.9	177.1	0	0	0	0	0	109.1	K24 K28	K24-A26 PolarHBondContact O-N 3.39Å; A26-K28 PolarHBondContact O-N 3.33Å
27	R	56.7	Low	58.3	Low	234 Å²	234	142 Å²	142	88%	0.883	80%	0.796	S	S	*	*			trans	-61.5	99.5	165.2	-75.1	-178	177.6	177.1	0.2	107.9	A25 S29	A25-R27 VanDerWaalsContact C-N 3.25Å; A25-R27 PolarHBondContact O-N 3.47Å; R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 3.21Å
28	K	55.6	Low	59.4	Low	214 Å²	214	145.5 Å²	145.5	93%	0.93	80%	0.798	S	S	*	*			trans	16.7	65.8	164.2	-72.4	-178.8	175.1	174.6	0	114.8	A26	A26-K28 PolarHBondContact O-N 3.33Å
29	S	51.3	Low	60.7	Low	103 Å²	103	138.1 Å²	138.1	72%	0.72	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.2	139.3	157.5	48.6	0	0	0	0	107.5	R27	R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 PolarHBondContact O-N 3.21Å
30	A	60.5	Low	62.4	Low	70 Å²	70	135.2 Å²	135.2	58%	0.579	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-55	150.3	-163.8	0	0	0	0	0	113.7	S32	A30-S32 PolarHBondContact O-N 2.88Å; A30-S32 VanDerWaalsContact O-N 3.16Å
31	P	57.3	Low	64.5	Low	103 Å²	103	137.5 Å²	137.5	67%	0.669	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-58	122.5	166.3	26.3	-31.8	0	0	0	108.2	V33	P31-V33 PolarHBondContact O-N 3.42Å; P31-V33 VanDerWaalsContact O-N 3.09Å
32	S	59.4	Low	66.4	Low	123 Å²	123	135.3 Å²	135.3	86%	0.86	76%	0.762	S	S	*	*	S	Bend	trans	-71.6	2.8	-175.7	58.6	0	0	0	0	114	A30	A30-S32 PolarHBondContact O-N 2.88Å; A30-S32 VanDerWaalsContact O-N 3.16Å
33	V	57.4	Low	68.2	Low	132 Å²	132	141 Å²	141	80%	0.8	77%	0.765	S	S	*	*	S	Bend	trans	-148.7	91.3	179.6	-165.4	0	0	0	0	108.3	P31	P31-V33 PolarHBondContact O-N 3.42Å; P31-V33 VanDerWaalsContact O-N 3.09Å
34	G	65.5	Low	70.4	Confident	51 Å²	51	140.9 Å²	140.9	53%	0.526	77%	0.766	S	S	.	*	S	Bend	trans	160.6	145.8	178.1	0	0	0	0	0	112.1	V36	G34-V36 PolarHBondContact O-N 3.36Å
35	A	66.6	Low	72.4	Confident	106 Å²	106	133.5 Å²	133.5	88%	0.876	75%	0.745	S	S	*	*			trans	-52.6	108.8	178.1	0	0	0	0	0	110.2	K37	A35-K37 PolarHBondContact O-N 3.46Å; A35-K37 VanDerWaalsContact O-N 3.1Å
36	V	70.5	Confident	74.3	Confident	115 Å²	115	131.3 Å²	131.3	70%	0.697	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-55.1	119.5	174	178.7	0	0	0	0	106.9	G34 K38	G34-V36 PolarHBondContact O-N 3.36Å; V36-K38 PolarHBondContact O-N 3.47Å; V36-K38 VanDerWaalsContact O-N 3.12Å
37	K	75.4	Confident	76.5	Confident	195 Å²	195	129.6 Å²	129.6	85%	0.848	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-51.2	125.6	173.5	-75.6	-173.6	177	-176	0	107.7	A35 A39	A35-K37 PolarHBondContact O-N 3.46Å; A35-K37 VanDerWaalsContact O-N 3.1Å; K37-A39 PolarHBondContact O-N 3.03Å; K37-A39 VanDerWaalsContact O-N 3.13Å
38	K	81.5	Confident	78.4	Confident	207 Å²	207	120.7 Å²	120.7	90%	0.9	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-47.2	125.1	179	-69.3	-175.9	-180	-179.8	0	108.8	V36 H40	V36-K38 PolarHBondContact O-N 3.47Å; V36-K38 VanDerWaalsContact O-N 3.12Å; K38-H40 PolarHBondContact O-N 2.98Å
39	A	87	Confident	80.4	Confident	92 Å²	92	115 Å²	115	76%	0.76	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.8	134.7	178	0	0	0	0	0	108.8	K37 R41	K37-A39 PolarHBondContact O-N 3.03Å; K37-A39 VanDerWaalsContact O-N 3.13Å; A39-R41 PolarHBondContact O-N 3.45Å
40	H	89.5	Confident	82.7	Confident	153 Å²	153	115.6 Å²	115.6	71%	0.708	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-63.5	122.6	178.2	173.8	-84.5	0	0	0	109.6	K38 Y42	K38-H40 PolarHBondContact O-N 2.98Å; H40-Y42 AromaticContact CE1-CD1 3.85Å; H40-Y42 AromaticContact CE1-CE1 3.74Å; H40-Y42 AromaticContact CE1-CZ 3.93Å
41	R	92.8	Very high	84.4	Confident	223 Å²	223	116.6 Å²	116.6	84%	0.842	64%	0.637	S	S	*	*			trans	-120.1	126.9	175.9	-172.4	174.8	179.5	173.2	0.8	109.7	A39	A39-R41 PolarHBondContact O-N 3.45Å
42	Y	94.3	Very high	86.4	Confident	117 Å²	117	115.8 Å²	115.8	46%	0.459	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-64.6	145.7	171.7	-69.1	-74.8	0	0	0	110.7	H40 T46 V47	H40-Y42 AromaticContact CE1-CD1 3.85Å; H40-Y42 AromaticContact CE1-CE1 3.74Å; H40-Y42 AromaticContact CE1-CZ 3.93Å; Y42-T46 HydrophobicContact CD1-CG2 3.81Å; Y42-T46 HydrophobicContact CG-CG2 4.43Å; Y42-V47 HydrophobicContact CD2-CG2 3.91Å; Y42-V47 HydrophobicContact CG-CG2 3.98Å
43	R	95.7	Very high	88.2	Confident	208 Å²	208	117.6 Å²	117.6	79%	0.785	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-64.5	144.8	172.9	-63.8	-176.1	177.2	-155.6	-0.6	109.9	G45 T46	R43-G45 PolarHBondContact O-N 3.43Å; R43-T46 WeakPolarHBondContact O-CB 3.02Å; R43-T46 PolarHBondContact O-N 3.5Å; R43-T46 PolarHBondContact O-OG1 3.45Å
44	P	96.7	Very high	90.2	Very high	128 Å²	128	118.1 Å²	118.1	83%	0.831	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.5	139.8	172.1	-26	34.7	0	0	0	111.2	T46	P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.47Å
45	G	96.7	Very high	91.7	Very high	41 Å²	41	120.3 Å²	120.3	42%	0.423	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.3	-25.8	-173.9	0	0	0	0	0	115.3	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 3.43Å; G45-V47 PolarHBondContact O-N 3.44Å; G45-A48 PolarHBondContact O-N 3.08Å; G45-L49 WeakPolarHBondContact O-CB 3.41Å; G45-L49 WeakPolarHBondContact O-CG 3.48Å; G45-L49 PolarHBondContact O-N 2.87Å
46	T	97.9	Very high	93.2	Very high	58 Å²	58	122.4 Å²	122.4	36%	0.356	59%	0.587	S	S	.	*	H	α-helix	trans	-63	-44.7	-179.3	-50.8	0	0	0	0	112.1	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.81Å; Y42-T46 HydrophobicContact CG-CG2 4.43Å; R43-T46 WeakPolarHBondContact O-CB 3.02Å; R43-T46 PolarHBondContact O-N 3.5Å; R43-T46 PolarHBondContact O-OG1 3.45Å; P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.47Å; T46-R50 PolarHBondContact O-N 3.45Å
47	V	97.6	Very high	94.5	Very high	48 Å²	48	125.8 Å²	125.8	29%	0.291	59%	0.592	S	S	.	*	H	α-helix	trans	-71.9	-42.3	179.6	-178.6	0	0	0	0	110.4	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.91Å; Y42-V47 HydrophobicContact CG-CG2 3.98Å; G45-V47 PolarHBondContact O-N 3.44Å; V47-L49 PolarHBondContact O-N 3.09Å; V47-R50 WeakPolarHBondContact O-CB 3.33Å; V47-R50 PolarHBondContact O-N 3.05Å; V47-E51 HydrophobicContact CG1-CG 4.41Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.41Å; V47-E51 WeakPolarHBondContact O-CG 3.39Å; V47-E51 PolarHBondContact O-N 3.36Å
48	A	97.6	Very high	95.5	Very high	47 Å²	47	118.4 Å²	118.4	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-58.5	-46.9	177.2	0	0	0	0	0	112.1	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.08Å; A48-R50 PolarHBondContact O-N 2.97Å; 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 2.97Å
49	L	97.9	Very high	96.2	Very high	95 Å²	95	115.7 Å²	115.7	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-64.2	-28.9	176.4	-72.3	174.5	0	0	0	113.2	G45 V47 I52 R53	G45-L49 WeakPolarHBondContact O-CB 3.41Å; G45-L49 WeakPolarHBondContact O-CG 3.48Å; G45-L49 PolarHBondContact O-N 2.87Å; V47-L49 PolarHBondContact O-N 3.09Å; 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 3.28Å; L49-R53 PolarHBondContact O-NE 2.93Å
50	R	98.2	Very high	96.7	Very high	115 Å²	115	116.1 Å²	116.1	43%	0.434	55%	0.552	S	S	.	*	H	α-helix	trans	-73.6	-40.5	174.8	-178.3	174	61.4	-127.4	3.3	111.1	T46 V47 A48 R54	T46-R50 PolarHBondContact O-N 3.45Å; V47-R50 WeakPolarHBondContact O-CB 3.33Å; V47-R50 PolarHBondContact O-N 3.05Å; A48-R50 PolarHBondContact O-N 2.97Å; R50-R54 WeakPolarHBondContact O-CB 3.37Å; R50-R54 PolarHBondContact O-N 2.7Å
51	E	97.9	Very high	97	Very high	92 Å²	92	111.5 Å²	111.5	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-46.2	175.6	-73.2	168.8	-176.8	0	0	111.4	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.41Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.41Å; V47-E51 WeakPolarHBondContact O-CG 3.39Å; V47-E51 PolarHBondContact O-N 3.36Å; A48-E51 PolarHBondContact O-N 3.47Å; E51-R53 PolarHBondContact O-N 3.44Å; E51-R54 WeakPolarHBondContact O-CB 3.35Å; E51-R54 PolarHBondContact O-N 3.21Å; E51-Y55 HydrophobicContact CB-CD2 4.26Å; E51-Y55 HydrophobicContact CB-CE2 4.01Å; E51-Y55 HydrophobicContact CG-CE2 4.47Å; E51-Y55 WeakPolarHBondContact O-CD2 3.3Å; E51-Y55 PolarHBondContact O-N 3.3Å
52	I	97.8	Very high	97.2	Very high	86 Å²	86	105.4 Å²	105.4	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-54.6	-51.3	175.6	-68.5	164.4	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 2.97Å; L49-I52 HydrophobicContact CD2-CD1 4.5Å; I52-R54 VanDerWaalsContact C-N 3.29Å; I52-R54 PolarHBondContact O-N 2.68Å; I52-Y55 PolarHBondContact O-N 3.32Å; I52-Q56 HydrophobicContact CG2-CG 4.37Å; I52-Q56 WeakPolarHBondContact O-CB 3.23Å; I52-Q56 VanDerWaalsContact O-CG 3.31Å; I52-Q56 WeakPolarHBondContact O-CG 3.42Å; I52-Q56 PolarHBondContact O-N 3.21Å
53	R	98.1	Very high	97.3	Very high	160 Å²	160	102.7 Å²	102.7	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-31.5	178.4	-69.7	179.1	-142.5	-130.6	3.3	113.4	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 3.28Å; L49-R53 PolarHBondContact O-NE 2.93Å; E51-R53 PolarHBondContact O-N 3.44Å; R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.5Å
54	R	98.1	Very high	97.4	Very high	144 Å²	144	102.8 Å²	102.8	54%	0.543	51%	0.508	S	S	.	.	H	α-helix	trans	-67.4	-53.9	176.1	176.5	-174.3	167.3	-169.9	-7.2	109.6	R50 E51 I52 Q56 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.37Å; R50-R54 PolarHBondContact O-N 2.7Å; E51-R54 WeakPolarHBondContact O-CB 3.35Å; E51-R54 PolarHBondContact O-N 3.21Å; I52-R54 VanDerWaalsContact C-N 3.29Å; I52-R54 PolarHBondContact O-N 2.68Å; R54-Q56 PolarHBondContact O-N 2.89Å; R54-K57 PolarHBondContact O-N 3.36Å; R54-K57 VanDerWaalsContact O-N 3.15Å; R54-S58 PolarHBondContact O-N 3.07Å; R54-S58 PolarHBondContact O-OG 3.34Å; R54-E60 IonicContact NH2-OE1 3.44Å; R54-E60 PolarHBondContact NH2-OE1 3.42Å
55	Y	97.9	Very high	97.3	Very high	96 Å²	96	104.9 Å²	104.9	38%	0.376	50%	0.5	S	S	.	.	H	α-helix	trans	-70	-31.8	-174.7	-63.8	-51.9	0	0	0	113	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.26Å; E51-Y55 HydrophobicContact CB-CE2 4.01Å; E51-Y55 HydrophobicContact CG-CE2 4.47Å; E51-Y55 WeakPolarHBondContact O-CD2 3.3Å; E51-Y55 PolarHBondContact O-N 3.3Å; I52-Y55 PolarHBondContact O-N 3.32Å; Y55-K57 VanDerWaalsContact C-N 3.25Å; Y55-K57 PolarHBondContact O-N 3.42Å; Y55-S58 WeakPolarHBondContact CA-OG 3.38Å; Y55-S58 PolarHBondContact O-N 3.15Å; Y55-S58 PolarHBondContact O-OG 3.36Å; Y55-L62 HydrophobicContact CD1-CD2 3.68Å; Y55-L62 HydrophobicContact CE1-CD2 3.82Å; Y55-L62 HydrophobicContact CG-CD2 4.47Å
56	Q	97.5	Very high	97.3	Very high	151 Å²	151	107.4 Å²	107.4	71%	0.706	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.1	172.1	-75.5	-178.9	-28.9	0	0	113.9	I52 R54	I52-Q56 HydrophobicContact CG2-CG 4.37Å; I52-Q56 WeakPolarHBondContact O-CB 3.23Å; I52-Q56 VanDerWaalsContact O-CG 3.31Å; I52-Q56 WeakPolarHBondContact O-CG 3.42Å; I52-Q56 PolarHBondContact O-N 3.21Å; R54-Q56 PolarHBondContact O-N 2.89Å
57	K	98.1	Very high	97.3	Very high	186 Å²	186	108.2 Å²	108.2	81%	0.809	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-21.6	177.4	-75.1	-179.9	179.6	-166.6	0	113.1	R53 R54 Y55	R53-K57 VanDerWaalsContact O-CG 3.27Å; R53-K57 WeakPolarHBondContact O-CG 3.5Å; R54-K57 PolarHBondContact O-N 3.36Å; R54-K57 VanDerWaalsContact O-N 3.15Å; Y55-K57 VanDerWaalsContact C-N 3.25Å; Y55-K57 PolarHBondContact O-N 3.42Å
58	S	96.7	Very high	97.3	Very high	40 Å²	40	106.6 Å²	106.6	28%	0.28	50%	0.498	S	S	.	.			trans	-99.7	158.1	-178	58	0	0	0	0	111.2	R54 Y55	R54-S58 PolarHBondContact O-N 3.07Å; R54-S58 PolarHBondContact O-OG 3.34Å; Y55-S58 WeakPolarHBondContact CA-OG 3.38Å; Y55-S58 PolarHBondContact O-N 3.15Å; Y55-S58 PolarHBondContact O-OG 3.36Å
59	T	96.6	Very high	97.3	Very high	150 Å²	150	106.8 Å²	106.8	92%	0.92	49%	0.491	S	S	*	.			trans	-118.1	21.8	172.2	61.6	0	0	0	0	111.4
60	E	96.3	Very high	97.2	Very high	100 Å²	100	110.1 Å²	110.1	47%	0.467	50%	0.497	S	S	.	.			trans	-72.4	140	179	65.7	-176.9	170.9	0	0	110.8	R54 L62	R54-E60 IonicContact NH2-OE1 3.44Å; R54-E60 PolarHBondContact NH2-OE1 3.42Å; E60-L62 HydrophobicContact CG-CD2 4.21Å; E60-L62 PolarHBondContact O-N 2.69Å
61	L	97	Very high	97.2	Very high	57 Å²	57	108.7 Å²	108.7	30%	0.298	50%	0.498	S	S	.	.			trans	-66.7	128	171.7	-66.9	174	0	0	0	109.9	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CG 4.13Å; L61-Q94 HydrophobicContact CD2-CG 4.35Å; L61-E95 HydrophobicContact CD1-CG 4.44Å; L61-E95 HydrophobicContact CD2-CG 4.02Å; L61-E98 WeakPolarHBondContact CA-OE2 3.41Å; L61-E98 HydrophobicContact CD2-CB 4.48Å; L61-E98 HydrophobicContact CD2-CG 4.39Å
62	L	97.3	Very high	97.2	Very high	95 Å²	95	105.2 Å²	105.2	50%	0.497	48%	0.483	S	S	.	.			trans	-90.4	-27.5	-173.4	-56.7	-178.2	0	0	0	112.3	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.68Å; Y55-L62 HydrophobicContact CE1-CD2 3.82Å; Y55-L62 HydrophobicContact CG-CD2 4.47Å; E60-L62 HydrophobicContact CG-CD2 4.21Å; E60-L62 PolarHBondContact O-N 2.69Å; L62-E98 PolarHBondContact N-OE1 3.48Å; L62-E98 PolarHBondContact N-OE2 3.02Å
63	M	96.6	Very high	97.1	Very high	59 Å²	59	105.5 Å²	105.5	29%	0.291	48%	0.478	S	S	.	.	S	Bend	trans	-77.9	139.5	175.2	-64.4	-164.5	-78.1	0	0	111.1	R65 F68 Q94 T97 E98	M63-R65 PolarHBondContact O-N 3.23Å; M63-F68 HydrophobicContact CE-CD2 3.5Å; M63-F68 HydrophobicContact CE-CE2 3.56Å; M63-F68 HydrophobicContact CE-CG 4.49Å; M63-F68 HydrophobicContact SD-CD2 3.97Å; M63-F68 HydrophobicContact SD-CE2 4.49Å; M63-Q94 HydrophobicContact CE-CG 4.39Å; M63-Q94 PolarHBondContact O-NE2 2.92Å; M63-T97 HydrophobicContact CE-CG2 3.77Å; M63-E98 VanDerWaalsContact CB-OE1 3.31Å; M63-E98 WeakPolarHBondContact CB-OE1 3.34Å; M63-E98 HydrophobicContact CE-CG 3.4Å; M63-E98 HydrophobicContact CG-CG 4.15Å; M63-E98 PolarHBondContact N-OE1 2.93Å
64	R	97.4	Very high	97	Very high	210 Å²	210	104 Å²	104	79%	0.792	48%	0.478	S	S	*	.			trans	-67.4	126.6	175.4	-65.9	-178.7	179.4	-174.5	0.1	109.6	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.25Å; R64-P67 HydrophobicContact CB-CG 3.9Å; R64-P67 WeakPolarHBondContact O-CD 3.28Å; R64-F68 PolarHBondContact O-N 2.94Å; R64-F68 VanDerWaalsContact O-N 3.16Å
65	R	94.2	Very high	97	Very high	172 Å²	172	101.3 Å²	101.3	65%	0.649	47%	0.473	S	S	*	.	H	α-helix	trans	-52.7	-47.9	-176.7	-66.3	-176.5	178.4	179.1	-1.5	113.9	M63 F68 Q69	M63-R65 PolarHBondContact O-N 3.23Å; R65-F68 PolarHBondContact O-N 2.54Å; R65-Q69 WeakPolarHBondContact O-CB 3.5Å; R65-Q69 PolarHBondContact O-N 2.91Å
66	L	96.3	Very high	96.9	Very high	95 Å²	95	97.3 Å²	97.3	50%	0.497	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-49	-174.9	176.4	65.6	0	0	0	113.4	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.25Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.35Å; L66-Q69 PolarHBondContact O-N 3.17Å; L66-R70 HydrophobicContact CD1-CG 4.49Å; L66-R70 WeakPolarHBondContact O-CG 3.18Å; L66-R70 PolarHBondContact O-N 3.46Å
67	P	97.9	Very high	96.9	Very high	74 Å²	74	95.1 Å²	95.1	48%	0.481	45%	0.45	S	S	.	.	H	α-helix	trans	-56.7	-43.6	171.5	-29.1	35.9	0	0	0	113.6	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.9Å; R64-P67 WeakPolarHBondContact O-CD 3.28Å; P67-Q69 PolarHBondContact O-N 2.93Å; P67-R70 PolarHBondContact O-N 3.33Å; P67-L71 PolarHBondContact O-N 3.34Å; P67-L71 VanDerWaalsContact O-N 3.08Å
68	F	97.9	Very high	96.8	Very high	15 Å²	15	92.7 Å²	92.7	7%	0.066	45%	0.446	C	S	.	.	H	α-helix	trans	-61.6	-45.6	177.8	-176.7	-95.6	0	0	0	111.6	M63 R64 R65 L66 R70 L71 V72 V90 L93 Q94 T97	M63-F68 HydrophobicContact CE-CD2 3.5Å; M63-F68 HydrophobicContact CE-CE2 3.56Å; M63-F68 HydrophobicContact CE-CG 4.49Å; M63-F68 HydrophobicContact SD-CD2 3.97Å; M63-F68 HydrophobicContact SD-CE2 4.49Å; R64-F68 PolarHBondContact O-N 2.94Å; R64-F68 VanDerWaalsContact O-N 3.16Å; R65-F68 PolarHBondContact O-N 2.54Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.35Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.05Å; F68-L71 PolarHBondContact O-N 2.96Å; F68-V72 HydrophobicContact CD1-CG2 3.99Å; F68-V72 HydrophobicContact CE1-CG2 3.5Å; F68-V72 HydrophobicContact CE2-CG2 4.46Å; F68-V72 HydrophobicContact CZ-CG2 3.77Å; F68-V72 WeakPolarHBondContact O-CG2 3.46Å; F68-V72 PolarHBondContact O-N 3.08Å; F68-V90 HydrophobicContact CD1-CG1 4.27Å; F68-V90 HydrophobicContact CE1-CG1 4.45Å; F68-L93 HydrophobicContact CE1-CB 4.1Å; F68-L93 HydrophobicContact CZ-CB 4.17Å; F68-Q94 HydrophobicContact CD1-CB 3.71Å; F68-Q94 HydrophobicContact CD1-CG 3.9Å; F68-Q94 HydrophobicContact CD2-CG 4.43Å; F68-Q94 HydrophobicContact CE1-CB 3.45Å; F68-Q94 VanDerWaalsContact CE1-CB 3.45Å; F68-Q94 HydrophobicContact CE1-CG 4.02Å; F68-Q94 HydrophobicContact CG-CB 4.42Å; F68-Q94 HydrophobicContact CG-CG 4.12Å; F68-Q94 VanDerWaalsContact CZ-CA 3.42Å; F68-Q94 HydrophobicContact CZ-CB 3.96Å; F68-Q94 HydrophobicContact CZ-CG 4.35Å; F68-T97 HydrophobicContact CE2-CG2 4.13Å
69	Q	96.7	Very high	96.8	Very high	51 Å²	51	99.2 Å²	99.2	24%	0.238	47%	0.47	C	S	.	.	H	α-helix	trans	-59.9	-38.8	175.9	179.2	-178.7	-24.9	0	0	112.8	R65 L66 P67 R73 V90	R65-Q69 WeakPolarHBondContact O-CB 3.5Å; R65-Q69 PolarHBondContact O-N 2.91Å; L66-Q69 PolarHBondContact O-N 3.17Å; P67-Q69 PolarHBondContact O-N 2.93Å; Q69-R73 WeakPolarHBondContact O-CG 3.38Å; Q69-R73 PolarHBondContact O-N 3.28Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; Q69-V90 HydrophobicContact CB-CG1 4.07Å; Q69-V90 HydrophobicContact CG-CG1 4.26Å
70	R	97.3	Very high	96.7	Very high	165 Å²	165	98.6 Å²	98.6	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-63.4	-46.1	176.7	-72.9	175.9	-177.5	-176.6	-1	110.9	L66 P67 F68 V72 R73 E74	L66-R70 HydrophobicContact CD1-CG 4.49Å; L66-R70 WeakPolarHBondContact O-CG 3.18Å; L66-R70 PolarHBondContact O-N 3.46Å; P67-R70 PolarHBondContact O-N 3.33Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.05Å; R70-V72 PolarHBondContact O-N 3.29Å; R70-R73 PolarHBondContact O-N 2.98Å; R70-E74 WeakPolarHBondContact O-CB 3.43Å; R70-E74 PolarHBondContact O-N 3.42Å
71	L	97.7	Very high	96.6	Very high	84 Å²	84	96.4 Å²	96.4	44%	0.44	45%	0.453	S	S	.	.	H	α-helix	trans	-60.8	-44.8	176.9	179.3	63.6	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 3.34Å; P67-L71 VanDerWaalsContact O-N 3.08Å; F68-L71 PolarHBondContact O-N 2.96Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.9Å; L71-E74 PolarHBondContact O-N 3.29Å; L71-I75 HydrophobicContact CD1-CD1 3.91Å; L71-I75 HydrophobicContact CD1-CG1 4.19Å; L71-I75 HydrophobicContact CG-CD1 3.93Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 2.95Å
72	V	97.2	Very high	96.4	Very high	19 Å²	19	100.8 Å²	100.8	12%	0.115	48%	0.477	C	S	.	.	H	α-helix	trans	-58.5	-42.2	176.8	168.6	0	0	0	0	111.4	F68 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.99Å; F68-V72 HydrophobicContact CE1-CG2 3.5Å; F68-V72 HydrophobicContact CE2-CG2 4.46Å; F68-V72 HydrophobicContact CZ-CG2 3.77Å; F68-V72 WeakPolarHBondContact O-CG2 3.46Å; F68-V72 PolarHBondContact O-N 3.08Å; R70-V72 PolarHBondContact O-N 3.29Å; V72-A76 VanDerWaalsContact O-CB 3.23Å; V72-A76 WeakPolarHBondContact O-CB 3.31Å; V72-A76 PolarHBondContact O-N 2.94Å; V72-F85 HydrophobicContact CG1-CD1 4.38Å; V72-F85 HydrophobicContact CG1-CE1 3.93Å; V72-F85 HydrophobicContact CG1-CZ 4.19Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.25Å
73	R	96.2	Very high	96.2	Very high	92 Å²	92	99.5 Å²	99.5	35%	0.347	47%	0.47	S	S	.	.	H	α-helix	trans	-71.5	-37.7	179.4	-71.5	176.3	-178.6	-82.5	2.4	112.6	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.38Å; Q69-R73 PolarHBondContact O-N 3.28Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.98Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.9Å; R73-A76 PolarHBondContact O-N 3.13Å; R73-Q77 WeakPolarHBondContact O-CB 3.44Å; R73-Q77 PolarHBondContact O-N 3.02Å; R73-F85 HydrophobicContact CG-CD2 4.26Å; R73-F85 HydrophobicContact CG-CE2 4.38Å
74	E	96.5	Very high	96.2	Very high	130 Å²	130	108.2 Å²	108.2	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-58.6	-54.3	174.1	-176.9	-177.2	159.6	0	0	110.6	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.43Å; R70-E74 PolarHBondContact O-N 3.42Å; L71-E74 PolarHBondContact O-N 3.29Å; E74-A76 VanDerWaalsContact C-N 3.32Å; E74-A76 PolarHBondContact O-N 3.36Å; E74-Q77 WeakPolarHBondContact O-CB 3.36Å; E74-Q77 PolarHBondContact O-N 2.92Å
75	I	97.2	Very high	96.1	Very high	86 Å²	86	100.8 Å²	100.8	44%	0.441	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-42.1	178.2	-64.6	170.2	0	0	0	111.2	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.91Å; L71-I75 HydrophobicContact CD1-CG1 4.19Å; L71-I75 HydrophobicContact CG-CD1 3.93Å; L71-I75 WeakPolarHBondContact O-CG1 3.48Å; L71-I75 PolarHBondContact O-N 2.95Å; I75-Q77 VanDerWaalsContact C-N 3.29Å; I75-Q77 PolarHBondContact O-N 3.49Å; I75-D78 PolarHBondContact O-N 3.22Å; I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.31Å
76	A	97.1	Very high	96.3	Very high	13 Å²	13	99.5 Å²	99.5	11%	0.107	48%	0.475	C	S	.	.	H	α-helix	trans	-66.3	-31.9	-179	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 VanDerWaalsContact O-CB 3.23Å; V72-A76 WeakPolarHBondContact O-CB 3.31Å; V72-A76 PolarHBondContact O-N 2.94Å; R73-A76 PolarHBondContact O-N 3.13Å; E74-A76 VanDerWaalsContact C-N 3.32Å; E74-A76 PolarHBondContact O-N 3.36Å; A76-D78 PolarHBondContact O-N 3.02Å; A76-F79 PolarHBondContact O-N 3.17Å; A76-F79 VanDerWaalsContact O-N 3.15Å; A76-K80 PolarHBondContact O-N 2.99Å; A76-K80 VanDerWaalsContact O-N 3.07Å; A76-L83 HydrophobicContact CB-CD1 4.08Å; A76-F85 HydrophobicContact CB-CE2 3.82Å; A76-F85 HydrophobicContact CB-CZ 3.47Å; A76-F85 VanDerWaalsContact CB-CZ 3.47Å
77	Q	96.1	Very high	96.2	Very high	105 Å²	105	101.1 Å²	101.1	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-33.1	178.4	-168.9	73.9	19.3	0	0	111.6	R73 E74 I75 F79	R73-Q77 WeakPolarHBondContact O-CB 3.44Å; R73-Q77 PolarHBondContact O-N 3.02Å; E74-Q77 WeakPolarHBondContact O-CB 3.36Å; E74-Q77 PolarHBondContact O-N 2.92Å; I75-Q77 VanDerWaalsContact C-N 3.29Å; I75-Q77 PolarHBondContact O-N 3.49Å; Q77-F79 PolarHBondContact O-N 3.44Å
78	D	96.6	Very high	96.1	Very high	135 Å²	135	101 Å²	101	72%	0.722	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-24.7	178	-65.2	-22.1	0	0	0	112.9	I75 A76	I75-D78 PolarHBondContact O-N 3.22Å; A76-D78 PolarHBondContact O-N 3.02Å
79	F	96.1	Very high	96.1	Very high	176 Å²	176	102 Å²	102	77%	0.772	49%	0.494	S	S	*	.	H	α-helix	trans	-94.7	-41.3	179.2	-64.3	-81.7	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.31Å; A76-F79 PolarHBondContact O-N 3.17Å; A76-F79 VanDerWaalsContact O-N 3.15Å; Q77-F79 PolarHBondContact O-N 3.44Å
80	K	95.7	Very high	96.1	Very high	138 Å²	138	100 Å²	100	60%	0.6	49%	0.485	S	S	*	.			trans	-156.2	123.2	179.7	-178.6	166.4	178.3	173.1	0	110.9	A76 L83	A76-K80 PolarHBondContact O-N 2.99Å; A76-K80 VanDerWaalsContact O-N 3.07Å; K80-L83 HydrophobicContact CB-CD1 3.97Å; K80-L83 HydrophobicContact CB-CD2 4.39Å; K80-L83 HydrophobicContact CB-CG 4.05Å; K80-L83 HydrophobicContact CD-CD2 3.98Å; K80-L83 HydrophobicContact CD-CG 4.5Å; K80-L83 HydrophobicContact CG-CD2 4.15Å; K80-L83 HydrophobicContact CG-CG 4.13Å; K80-L83 WeakPolarHBondContact O-CG 3.35Å
81	A	93.3	Very high	96.1	Very high	54 Å²	54	94.5 Å²	94.5	45%	0.446	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	153	173.3	0	0	0	0	0	112	L83	A81-L83 VanDerWaalsContact C-N 3.32Å; A81-L83 PolarHBondContact O-N 2.86Å
82	D	92.1	Very high	96.1	Very high	148 Å²	148	93.3 Å²	93.3	79%	0.791	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	27.9	172	-56	-44.2	0	0	0	115.9
83	L	94.9	Very high	96.1	Very high	69 Å²	69	96.1 Å²	96.1	36%	0.361	48%	0.483	S	S	.	.			trans	-68.9	131.8	173.4	-74.2	176.4	0	0	0	112.7	A76 K80 A81 F85	A76-L83 HydrophobicContact CB-CD1 4.08Å; K80-L83 HydrophobicContact CB-CD1 3.97Å; K80-L83 HydrophobicContact CB-CD2 4.39Å; K80-L83 HydrophobicContact CB-CG 4.05Å; K80-L83 HydrophobicContact CD-CD2 3.98Å; K80-L83 HydrophobicContact CD-CG 4.5Å; K80-L83 HydrophobicContact CG-CD2 4.15Å; K80-L83 HydrophobicContact CG-CG 4.13Å; K80-L83 WeakPolarHBondContact O-CG 3.35Å; A81-L83 VanDerWaalsContact C-N 3.32Å; A81-L83 PolarHBondContact O-N 2.86Å; L83-F85 HydrophobicContact CB-CE2 3.97Å
84	R	95.7	Very high	96.2	Very high	241 Å²	241	91.8 Å²	91.8	91%	0.909	47%	0.467	S	S	*	.			trans	-99.1	136.2	169.3	-68.4	-176.5	171.4	-171.1	-2.1	110
85	F	96	Very high	96.3	Very high	54 Å²	54	91.4 Å²	91.4	24%	0.237	47%	0.465	C	S	.	.			trans	-112.2	131.4	178	-73.1	-95.6	0	0	0	110	V72 R73 A76 L83 V90	V72-F85 HydrophobicContact CG1-CD1 4.38Å; V72-F85 HydrophobicContact CG1-CE1 3.93Å; V72-F85 HydrophobicContact CG1-CZ 4.19Å; R73-F85 HydrophobicContact CG-CD2 4.26Å; R73-F85 HydrophobicContact CG-CE2 4.38Å; 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 3.97Å; F85-V90 HydrophobicContact CB-CG2 3.86Å; F85-V90 HydrophobicContact CD1-CG2 4.33Å; F85-V90 HydrophobicContact CG-CG2 4.33Å
86	Q	97.1	Very high	96.3	Very high	146 Å²	146	90.1 Å²	90.1	68%	0.682	47%	0.468	S	S	*	.			trans	-65.7	150.7	162.1	-67.7	-180	-50.2	0	0	109.6	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.35Å; Q86-A89 HydrophobicContact CB-CB 4.27Å; Q86-A89 WeakPolarHBondContact O-CB 3.48Å; Q86-A89 PolarHBondContact O-N 3.4Å; Q86-V90 PolarHBondContact O-N 3.48Å
87	M	94.5	Very high	96.4	Very high	129 Å²	129	91.9 Å²	91.9	64%	0.635	48%	0.477	S	S	*	.	H	α-helix	trans	-61.2	-40.8	176.3	-175.8	60.7	69.9	0	0	111.5	A89 V90 L91	M87-A89 VanDerWaalsContact C-N 3.3Å; M87-A89 PolarHBondContact O-N 2.98Å; M87-V90 PolarHBondContact O-N 3.11Å; M87-L91 HydrophobicContact CG-CD1 4.31Å; M87-L91 WeakPolarHBondContact O-CG 3.42Å; M87-L91 PolarHBondContact O-N 2.91Å; M87-L91 VanDerWaalsContact O-N 3.08Å
88	S	97.1	Very high	96.5	Very high	72 Å²	72	87.9 Å²	87.9	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-37	176	49.4	0	0	0	0	112.8	Q86 L91 A92	Q86-S88 VanDerWaalsContact C-N 3.29Å; Q86-S88 PolarHBondContact O-N 3.35Å; S88-L91 PolarHBondContact O-N 3.44Å; S88-A92 WeakPolarHBondContact O-CB 3.28Å; S88-A92 PolarHBondContact O-N 3.32Å
89	A	97.4	Very high	96.5	Very high	36 Å²	36	84.6 Å²	84.6	30%	0.298	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-42.6	178.1	0	0	0	0	0	111.8	Q86 M87 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.27Å; Q86-A89 WeakPolarHBondContact O-CB 3.48Å; Q86-A89 PolarHBondContact O-N 3.4Å; M87-A89 VanDerWaalsContact C-N 3.3Å; M87-A89 PolarHBondContact O-N 2.98Å; A89-A92 PolarHBondContact O-N 3.01Å; A89-L93 WeakPolarHBondContact O-CG 3.3Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-L93 VanDerWaalsContact O-N 3.08Å
90	V	96.7	Very high	96.6	Very high	8 Å²	8	80.9 Å²	80.9	5%	0.048	43%	0.432	C	S	.	.	H	α-helix	trans	-66.6	-39.4	176.5	-177.2	0	0	0	0	111	F68 Q69 F85 Q86 M87 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.27Å; F68-V90 HydrophobicContact CE1-CG1 4.45Å; Q69-V90 HydrophobicContact CB-CG1 4.07Å; Q69-V90 HydrophobicContact CG-CG1 4.26Å; F85-V90 HydrophobicContact CB-CG2 3.86Å; F85-V90 HydrophobicContact CD1-CG2 4.33Å; F85-V90 HydrophobicContact CG-CG2 4.33Å; Q86-V90 PolarHBondContact O-N 3.48Å; M87-V90 PolarHBondContact O-N 3.11Å; V90-L93 PolarHBondContact O-N 3.49Å; V90-Q94 PolarHBondContact O-N 3.22Å
91	L	97	Very high	96.6	Very high	50 Å²	50	78 Å²	78	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-43.9	176	-70.2	173.3	0	0	0	112.1	M87 S88 L93 Q94 E95	M87-L91 HydrophobicContact CG-CD1 4.31Å; M87-L91 WeakPolarHBondContact O-CG 3.42Å; M87-L91 PolarHBondContact O-N 2.91Å; M87-L91 VanDerWaalsContact O-N 3.08Å; S88-L91 PolarHBondContact O-N 3.44Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 2.87Å; L91-Q94 WeakPolarHBondContact O-CB 3.49Å; L91-Q94 PolarHBondContact O-N 3.2Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-E95 PolarHBondContact O-N 3.29Å
92	A	97.9	Very high	96.8	Very high	59 Å²	59	78.9 Å²	78.9	49%	0.488	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-42.1	176.8	0	0	0	0	0	111.9	S88 A89 Q94 E95 A96	S88-A92 WeakPolarHBondContact O-CB 3.28Å; S88-A92 PolarHBondContact O-N 3.32Å; A89-A92 PolarHBondContact O-N 3.01Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.45Å; A92-E95 PolarHBondContact O-N 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.33Å
93	L	97.9	Very high	97.1	Very high	77 Å²	77	72.7 Å²	72.7	40%	0.403	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-40.1	173.1	-72	171.2	0	0	0	111.8	F68 V72 A89 V90 L91 T97	F68-L93 HydrophobicContact CE1-CB 4.1Å; F68-L93 HydrophobicContact CZ-CB 4.17Å; V72-L93 HydrophobicContact CG1-CD1 3.62Å; V72-L93 HydrophobicContact CG2-CD1 4.25Å; A89-L93 WeakPolarHBondContact O-CG 3.3Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-L93 VanDerWaalsContact O-N 3.08Å; V90-L93 PolarHBondContact O-N 3.49Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 2.87Å; L93-T97 VanDerWaalsContact O-CB 3.3Å; L93-T97 WeakPolarHBondContact O-CB 3.41Å; L93-T97 PolarHBondContact O-N 2.91Å; L93-T97 PolarHBondContact O-OG1 2.95Å
94	Q	97.9	Very high	97.2	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-48.8	178.6	-167.6	174.1	-17.3	0	0	111.7	L61 M63 F68 V90 L91 A92 A96 T97 E98	L61-Q94 HydrophobicContact CD1-CG 4.13Å; L61-Q94 HydrophobicContact CD2-CG 4.35Å; M63-Q94 HydrophobicContact CE-CG 4.39Å; M63-Q94 PolarHBondContact O-NE2 2.92Å; F68-Q94 HydrophobicContact CD1-CB 3.71Å; F68-Q94 HydrophobicContact CD1-CG 3.9Å; F68-Q94 HydrophobicContact CD2-CG 4.43Å; F68-Q94 HydrophobicContact CE1-CB 3.45Å; F68-Q94 VanDerWaalsContact CE1-CB 3.45Å; F68-Q94 HydrophobicContact CE1-CG 4.02Å; F68-Q94 HydrophobicContact CG-CB 4.42Å; F68-Q94 HydrophobicContact CG-CG 4.12Å; F68-Q94 VanDerWaalsContact CZ-CA 3.42Å; F68-Q94 HydrophobicContact CZ-CB 3.96Å; F68-Q94 HydrophobicContact CZ-CG 4.35Å; V90-Q94 PolarHBondContact O-N 3.22Å; L91-Q94 WeakPolarHBondContact O-CB 3.49Å; L91-Q94 PolarHBondContact O-N 3.2Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.45Å; Q94-A96 PolarHBondContact O-N 3.46Å; Q94-T97 PolarHBondContact O-N 2.66Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 PolarHBondContact NE2-OE1 3.37Å; Q94-E98 WeakPolarHBondContact O-CG 3.47Å; Q94-E98 PolarHBondContact O-N 2.97Å
95	E	97.8	Very high	97.3	Very high	121 Å²	121	63.1 Å²	63.1	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-57.6	-48	177.5	-76.1	-178.6	-169.3	0	0	111.5	L61 L91 A92 T97 E98 A99	L61-E95 HydrophobicContact CD1-CG 4.44Å; L61-E95 HydrophobicContact CD2-CG 4.02Å; L91-E95 PolarHBondContact O-N 3.29Å; A92-E95 PolarHBondContact O-N 3.3Å; E95-T97 PolarHBondContact O-N 3.25Å; E95-E98 PolarHBondContact O-N 3.16Å; E95-A99 WeakPolarHBondContact O-CB 3.48Å; E95-A99 PolarHBondContact O-N 3.19Å
96	A	98	Very high	97.4	Very high	60 Å²	60	66 Å²	66	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-40.9	178.9	0	0	0	0	0	112.4	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 3.33Å; Q94-A96 PolarHBondContact O-N 3.46Å; A96-Y100 WeakPolarHBondContact O-CB 3.25Å; A96-Y100 PolarHBondContact O-N 3.45Å
97	T	98.1	Very high	97.4	Very high	50 Å²	50	61.6 Å²	61.6	31%	0.307	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-46.4	179.7	-57	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 4.13Å; L93-T97 VanDerWaalsContact O-CB 3.3Å; L93-T97 WeakPolarHBondContact O-CB 3.41Å; L93-T97 PolarHBondContact O-N 2.91Å; L93-T97 PolarHBondContact O-OG1 2.95Å; Q94-T97 PolarHBondContact O-N 2.66Å; E95-T97 PolarHBondContact O-N 3.25Å; T97-Y100 PolarHBondContact O-N 3.36Å; T97-M101 HydrophobicContact CG2-CG 4.43Å; T97-M101 HydrophobicContact CG2-SD 4.23Å; T97-M101 WeakPolarHBondContact O-CB 3.05Å; T97-M101 VanDerWaalsContact O-CG 3.3Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 3.45Å
98	E	98.1	Very high	97.6	Very high	21 Å²	21	55.5 Å²	55.5	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-42	179	-70.3	-167.1	-151.2	0	0	111.6	L61 L62 M63 Q94 E95 Y100 M101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.41Å; L61-E98 HydrophobicContact CD2-CB 4.48Å; L61-E98 HydrophobicContact CD2-CG 4.39Å; L62-E98 PolarHBondContact N-OE1 3.48Å; L62-E98 PolarHBondContact N-OE2 3.02Å; M63-E98 VanDerWaalsContact CB-OE1 3.31Å; M63-E98 WeakPolarHBondContact CB-OE1 3.34Å; M63-E98 HydrophobicContact CE-CG 3.4Å; M63-E98 HydrophobicContact CG-CG 4.15Å; M63-E98 PolarHBondContact N-OE1 2.93Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 PolarHBondContact NE2-OE1 3.37Å; Q94-E98 WeakPolarHBondContact O-CG 3.47Å; Q94-E98 PolarHBondContact O-N 2.97Å; E95-E98 PolarHBondContact O-N 3.16Å; E98-Y100 PolarHBondContact O-N 3.15Å; E98-M101 PolarHBondContact O-N 2.69Å; E98-V102 VanDerWaalsContact O-CG2 3.28Å; E98-V102 WeakPolarHBondContact O-CG2 3.35Å; E98-V102 PolarHBondContact O-N 3.36Å
99	A	97.7	Very high	97.7	Very high	66 Å²	66	55.5 Å²	55.5	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-45.5	174.9	0	0	0	0	0	112	E95 V102 G103	E95-A99 WeakPolarHBondContact O-CB 3.48Å; E95-A99 PolarHBondContact O-N 3.19Å; A99-V102 PolarHBondContact O-N 3.5Å; A99-G103 PolarHBondContact O-N 3.31Å
100	Y	97.3	Very high	97.7	Very high	98 Å²	98	59 Å²	59	38%	0.384	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-46	176.1	170.7	-96.9	0	0	0	111.9	A96 T97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.25Å; A96-Y100 PolarHBondContact O-N 3.45Å; T97-Y100 PolarHBondContact O-N 3.36Å; E98-Y100 PolarHBondContact O-N 3.15Å; Y100-G103 PolarHBondContact O-N 3.3Å; Y100-L104 HydrophobicContact CE1-CD2 4.15Å; Y100-L104 WeakPolarHBondContact O-CB 3.47Å; Y100-L104 PolarHBondContact O-N 3.39Å; Y100-E134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.3Å; Y100-E134 PolarHBondContact OH-OE2 3.49Å
101	M	97.2	Very high	97.8	Very high	77 Å²	77	59.3 Å²	59.3	38%	0.379	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-42.8	179.7	-72.5	-173.1	76	0	0	112.1	T97 E98 L104 F105	T97-M101 HydrophobicContact CG2-CG 4.43Å; T97-M101 HydrophobicContact CG2-SD 4.23Å; T97-M101 WeakPolarHBondContact O-CB 3.05Å; T97-M101 VanDerWaalsContact O-CG 3.3Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 3.45Å; E98-M101 PolarHBondContact O-N 2.69Å; M101-L104 PolarHBondContact O-N 3.34Å; M101-F105 HydrophobicContact CB-CE2 4.41Å; M101-F105 HydrophobicContact CE-CE2 4.05Å; M101-F105 HydrophobicContact CE-CZ 4.42Å; M101-F105 WeakPolarHBondContact O-CD2 3.48Å; M101-F105 PolarHBondContact O-N 3.36Å
102	V	97.6	Very high	97.8	Very high	73 Å²	73	56.9 Å²	56.9	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-50.6	176.3	170.9	0	0	0	0	110.2	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.28Å; E98-V102 WeakPolarHBondContact O-CG2 3.35Å; E98-V102 PolarHBondContact O-N 3.36Å; A99-V102 PolarHBondContact O-N 3.5Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.93Å; V102-F105 PolarHBondContact O-N 3.15Å; V102-F105 VanDerWaalsContact O-N 3.11Å; V102-E106 WeakPolarHBondContact O-CG 3.43Å; V102-E106 PolarHBondContact O-N 2.73Å
103	G	97	Very high	97.9	Very high	17 Å²	17	58.7 Å²	58.7	18%	0.175	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-41.2	177.2	0	0	0	0	0	112.4	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.31Å; Y100-G103 PolarHBondContact O-N 3.3Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.38Å; G103-E106 WeakPolarHBondContact O-CB 3.33Å; G103-E106 PolarHBondContact O-N 3.49Å; G103-D107 PolarHBondContact O-N 2.89Å; G103-R132 PolarHBondContact O-NH2 3.29Å
104	L	97.4	Very high	97.9	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-38.3	176.5	179.6	61.3	0	0	0	111.8	Y100 M101 V102 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.15Å; Y100-L104 WeakPolarHBondContact O-CB 3.47Å; Y100-L104 PolarHBondContact O-N 3.39Å; M101-L104 PolarHBondContact O-N 3.34Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.93Å; L104-T108 VanDerWaalsContact O-CB 3.26Å; L104-T108 WeakPolarHBondContact O-CB 3.3Å; L104-T108 PolarHBondContact O-N 3.03Å; L104-T108 PolarHBondContact O-OG1 3.45Å; L104-I125 HydrophobicContact CD1-CG2 4.48Å; L104-I125 HydrophobicContact CD2-CG2 4.14Å; L104-I125 HydrophobicContact CG-CG2 4.5Å; L104-A128 HydrophobicContact CD1-CB 4.14Å; L104-R129 HydrophobicContact CD1-CG 3.77Å; L104-R129 HydrophobicContact CD2-CG 4.48Å
105	F	98.1	Very high	97.9	Very high	89 Å²	89	64.9 Å²	64.9	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-69.8	-32.1	176.3	-76.9	-55.2	0	0	0	113.1	M101 V102 G103 T108 N109 I120	M101-F105 HydrophobicContact CB-CE2 4.41Å; M101-F105 HydrophobicContact CE-CE2 4.05Å; M101-F105 HydrophobicContact CE-CZ 4.42Å; M101-F105 WeakPolarHBondContact O-CD2 3.48Å; M101-F105 PolarHBondContact O-N 3.36Å; V102-F105 PolarHBondContact O-N 3.15Å; V102-F105 VanDerWaalsContact O-N 3.11Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.38Å; F105-T108 PolarHBondContact O-N 2.88Å; F105-N109 VanDerWaalsContact O-CB 3.25Å; F105-N109 WeakPolarHBondContact O-CB 3.26Å; F105-N109 PolarHBondContact O-N 3.44Å; F105-I120 HydrophobicContact CD1-CD1 3.91Å; F105-I120 HydrophobicContact CE1-CD1 4.04Å
106	E	97.8	Very high	97.9	Very high	116 Å²	116	70.5 Å²	70.5	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-50.8	172.3	-70.5	176.5	176.2	0	0	110.9	V102 G103 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.43Å; V102-E106 PolarHBondContact O-N 2.73Å; G103-E106 WeakPolarHBondContact O-CB 3.33Å; G103-E106 PolarHBondContact O-N 3.49Å; E106-T108 VanDerWaalsContact C-N 3.35Å; E106-T108 PolarHBondContact O-N 2.93Å; E106-N109 WeakPolarHBondContact O-CB 3.32Å; E106-N109 PolarHBondContact O-N 3.29Å; E106-N109 VanDerWaalsContact O-N 3.17Å; E106-L110 WeakPolarHBondContact O-CG 3.27Å; E106-L110 PolarHBondContact O-N 2.86Å
107	D	98	Very high	97.9	Very high	53 Å²	53	69.9 Å²	69.9	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-39.8	177.4	-70	-14.6	0	0	0	112.4	G103 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 2.89Å; D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 3.32Å; D107-L110 WeakPolarHBondContact O-CB 3.31Å; D107-L110 PolarHBondContact O-N 3.31Å; D107-C111 PolarHBondContact O-N 3.16Å; D107-C111 PolarHBondContact O-SG 3.36Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D107-R132 IonicContact OD2-CZ 3.94Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.47Å; D107-R132 IonicContact OD2-NH2 3.11Å; D107-R132 PolarHBondContact OD2-NH2 3.21Å
108	T	98.4	Very high	97.8	Very high	0 Å²	0	74 Å²	74	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-40.7	175.2	-61	0	0	0	0	110.8	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.26Å; L104-T108 WeakPolarHBondContact O-CB 3.3Å; L104-T108 PolarHBondContact O-N 3.03Å; L104-T108 PolarHBondContact O-OG1 3.45Å; F105-T108 PolarHBondContact O-N 2.88Å; E106-T108 VanDerWaalsContact C-N 3.35Å; E106-T108 PolarHBondContact O-N 2.93Å; T108-C111 WeakPolarHBondContact O-CB 3.36Å; T108-C111 PolarHBondContact O-N 2.9Å; T108-A112 PolarHBondContact O-N 2.9Å; T108-I120 HydrophobicContact CG2-CB 3.85Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; T108-D124 HydrophobicContact CG2-CB 3.61Å; T108-I125 HydrophobicContact CG2-CB 4.5Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å
109	N	98.2	Very high	97.9	Very high	72 Å²	72	77.4 Å²	77.4	39%	0.385	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-41.3	176.8	-175.4	50.4	0	0	0	111.3	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.25Å; F105-N109 WeakPolarHBondContact O-CB 3.26Å; F105-N109 PolarHBondContact O-N 3.44Å; E106-N109 WeakPolarHBondContact O-CB 3.32Å; E106-N109 PolarHBondContact O-N 3.29Å; E106-N109 VanDerWaalsContact O-N 3.17Å; D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 3.32Å; N109-C111 VanDerWaalsContact C-N 3.33Å; N109-C111 PolarHBondContact O-N 3.27Å; N109-A112 PolarHBondContact O-N 3.23Å; N109-I113 VanDerWaalsContact O-CG1 3.3Å; N109-I113 WeakPolarHBondContact O-CG1 3.41Å; N109-I113 PolarHBondContact O-N 3.08Å; N109-I120 HydrophobicContact CB-CG2 4.45Å
110	L	98.2	Very high	97.9	Very high	109 Å²	109	77.6 Å²	77.6	57%	0.571	39%	0.392	S	S	*	.	H	α-helix	trans	-60.3	-41.5	173	-65.1	177	0	0	0	111.8	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.27Å; E106-L110 PolarHBondContact O-N 2.86Å; D107-L110 WeakPolarHBondContact O-CB 3.31Å; D107-L110 PolarHBondContact O-N 3.31Å; L110-A112 PolarHBondContact O-N 3.49Å; L110-I113 PolarHBondContact O-N 3.36Å; L110-H114 WeakPolarHBondContact O-CB 3.33Å; L110-H114 PolarHBondContact O-N 3.24Å
111	C	98	Very high	97.9	Very high	15 Å²	15	76.9 Å²	76.9	10%	0.101	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-40.2	175.1	-67.6	0	0	0	0	112.4	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.16Å; D107-C111 PolarHBondContact O-SG 3.36Å; T108-C111 WeakPolarHBondContact O-CB 3.36Å; T108-C111 PolarHBondContact O-N 2.9Å; N109-C111 VanDerWaalsContact C-N 3.33Å; N109-C111 PolarHBondContact O-N 3.27Å; C111-H114 PolarHBondContact O-N 3.06Å; C111-A115 PolarHBondContact O-N 2.74Å; C111-D124 HydrophobicContact CB-CB 3.94Å; C111-L127 HydrophobicContact CB-CD2 4.25Å
112	A	98.4	Very high	97.9	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-44.9	176.3	0	0	0	0	0	111.8	T108 N109 L110 H114 A115 R116 R117 I120	T108-A112 PolarHBondContact O-N 2.9Å; N109-A112 PolarHBondContact O-N 3.23Å; L110-A112 PolarHBondContact O-N 3.49Å; A112-H114 VanDerWaalsContact C-N 3.35Å; A112-A115 CarbonylContact O-C 3.45Å; A112-A115 PolarHBondContact O-N 2.77Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A112-R116 PolarHBondContact O-N 3.44Å; A112-R117 CarbonylContact C-O 3.25Å; A112-R117 VanDerWaalsContact C-O 3.25Å; A112-R117 PolarHBondContact O-N 3.49Å; A112-R117 VanDerWaalsContact O-O 3.07Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
113	I	98.2	Very high	97.9	Very high	96 Å²	96	78.4 Å²	78.4	49%	0.492	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-43	176.8	-68.7	166.9	0	0	0	110.6	N109 L110 A115 R116 R117	N109-I113 VanDerWaalsContact O-CG1 3.3Å; N109-I113 WeakPolarHBondContact O-CG1 3.41Å; N109-I113 PolarHBondContact O-N 3.08Å; L110-I113 PolarHBondContact O-N 3.36Å; I113-A115 PolarHBondContact O-N 3.15Å; I113-R116 WeakPolarHBondContact O-CA 3.32Å; I113-R116 PolarHBondContact O-N 3.39Å; I113-R117 PolarHBondContact N-O 2.95Å
114	H	98	Very high	98	Very high	161 Å²	161	77.9 Å²	77.9	75%	0.745	40%	0.397	S	S	*	.	H	α-helix	trans	-56.3	-37.8	175.7	-178	75.5	0	0	0	111.8	L110 C111 A112 R116	L110-H114 WeakPolarHBondContact O-CB 3.33Å; L110-H114 PolarHBondContact O-N 3.24Å; C111-H114 PolarHBondContact O-N 3.06Å; A112-H114 VanDerWaalsContact C-N 3.35Å; H114-R116 VanDerWaalsContact C-N 3.26Å; H114-R116 PolarHBondContact O-N 3.48Å
115	A	97.9	Very high	97.9	Very high	48 Å²	48	79.5 Å²	79.5	40%	0.397	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	18.4	175.4	0	0	0	0	0	114.5	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 2.74Å; A112-A115 CarbonylContact O-C 3.45Å; A112-A115 PolarHBondContact O-N 2.77Å; A112-A115 VanDerWaalsContact O-N 3.16Å; I113-A115 PolarHBondContact O-N 3.15Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.01Å
116	R	98.1	Very high	97.9	Very high	240 Å²	240	80 Å²	80	91%	0.906	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.3	-179.4	-54	-176.9	-175.7	-154.1	0.9	114.4	A112 I113 H114	A112-R116 PolarHBondContact O-N 3.44Å; I113-R116 WeakPolarHBondContact O-CA 3.32Å; I113-R116 PolarHBondContact O-N 3.39Å; H114-R116 VanDerWaalsContact C-N 3.26Å; H114-R116 PolarHBondContact O-N 3.48Å
117	R	98.2	Very high	97.8	Very high	47 Å²	47	78 Å²	78	18%	0.177	40%	0.402	C	S	.	.			trans	-117.3	153.8	175.3	-71.3	175.8	-71.1	106.4	-2.3	110.5	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.25Å; A112-R117 VanDerWaalsContact C-O 3.25Å; A112-R117 PolarHBondContact O-N 3.49Å; A112-R117 VanDerWaalsContact O-O 3.07Å; I113-R117 PolarHBondContact N-O 2.95Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.01Å; R117-T119 PolarHBondContact NH1-O 3.18Å; R117-K123 VanDerWaalsContact NH2-CE 3.27Å; R117-D124 IonicContact CZ-OD1 3.58Å; R117-D124 IonicContact CZ-OD2 3.21Å; R117-D124 IonicContact NH1-OD1 2.74Å; R117-D124 PolarHBondContact NH1-OD1 3.31Å; R117-D124 IonicContact NH1-OD2 3.71Å; R117-D124 PolarHBondContact NH1-OD2 3.07Å; R117-D124 IonicContact NH2-OD1 3.48Å; R117-D124 PolarHBondContact NH2-OD1 3.44Å; R117-D124 IonicContact NH2-OD2 2.69Å; R117-D124 PolarHBondContact NH2-OD2 2.91Å
118	V	97.1	Very high	97.7	Very high	136 Å²	136	75.6 Å²	75.6	82%	0.824	39%	0.389	S	S	*	.	S	Bend	trans	-103.5	-12.8	170.3	-63.3	0	0	0	0	112.6
119	T	98.3	Very high	97.6	Very high	92 Å²	92	80.1 Å²	80.1	56%	0.564	41%	0.406	S	S	*	.	S	Bend	trans	-100.1	119.4	178.6	-51.5	0	0	0	0	109	R117	R117-T119 PolarHBondContact NH1-O 3.18Å
120	I	97.9	Very high	97.5	Very high	71 Å²	71	85.7 Å²	85.7	36%	0.364	42%	0.422	S	S	.	.			trans	-67	144.7	172.5	60.2	171.8	0	0	0	110.9	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.91Å; F105-I120 HydrophobicContact CE1-CD1 4.04Å; T108-I120 HydrophobicContact CG2-CB 3.85Å; T108-I120 HydrophobicContact CG2-CG2 3.86Å; N109-I120 HydrophobicContact CB-CG2 4.45Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
121	M	98.3	Very high	97.4	Very high	82 Å²	82	86.6 Å²	86.6	40%	0.404	43%	0.426	S	S	.	.			trans	-132.2	162.3	-179.1	-63.7	178.6	176.6	0	0	110.1	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 4.01Å; M121-K123 PolarHBondContact O-N 2.88Å; M121-K123 VanDerWaalsContact O-N 3.15Å; M121-D124 PolarHBondContact N-OD2 2.93Å; M121-D124 WeakPolarHBondContact O-CB 3.43Å; M121-D124 PolarHBondContact O-N 3.29Å; M121-I125 PolarHBondContact O-N 2.81Å
122	A	97.8	Very high	97.3	Very high	67 Å²	67	90 Å²	90	55%	0.554	44%	0.437	S	S	*	.	H	α-helix	trans	-55.6	-34.4	178.5	0	0	0	0	0	113.4	D124 I125 Q126	A122-D124 VanDerWaalsContact C-N 3.27Å; A122-D124 PolarHBondContact O-N 3.07Å; A122-I125 PolarHBondContact O-N 3.01Å; A122-Q126 WeakPolarHBondContact O-CG 3.29Å; A122-Q126 PolarHBondContact O-N 3.33Å
123	K	97.1	Very high	97	Very high	116 Å²	116	93 Å²	93	50%	0.504	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-29.9	175.6	65.6	-179.2	-179.6	-178	0	113.6	R117 M121 Q126 L127	R117-K123 VanDerWaalsContact NH2-CE 3.27Å; M121-K123 HydrophobicContact CB-CG 4.01Å; M121-K123 PolarHBondContact O-N 2.88Å; M121-K123 VanDerWaalsContact O-N 3.15Å; K123-Q126 PolarHBondContact O-N 3.39Å; K123-L127 WeakPolarHBondContact O-CB 3.16Å; K123-L127 PolarHBondContact O-N 3.43Å
124	D	98	Very high	96.5	Very high	5 Å²	5	91.5 Å²	91.5	3%	0.027	46%	0.458	C	S	.	.	H	α-helix	trans	-72.4	-40.5	179.2	-55.8	-39.5	0	0	0	109.9	T108 C111 R117 M121 A122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.61Å; C111-D124 HydrophobicContact CB-CB 3.94Å; R117-D124 IonicContact CZ-OD1 3.58Å; R117-D124 IonicContact CZ-OD2 3.21Å; R117-D124 IonicContact NH1-OD1 2.74Å; R117-D124 PolarHBondContact NH1-OD1 3.31Å; R117-D124 IonicContact NH1-OD2 3.71Å; R117-D124 PolarHBondContact NH1-OD2 3.07Å; R117-D124 IonicContact NH2-OD1 3.48Å; R117-D124 PolarHBondContact NH2-OD1 3.44Å; R117-D124 IonicContact NH2-OD2 2.69Å; R117-D124 PolarHBondContact NH2-OD2 2.91Å; M121-D124 PolarHBondContact N-OD2 2.93Å; M121-D124 WeakPolarHBondContact O-CB 3.43Å; M121-D124 PolarHBondContact O-N 3.29Å; A122-D124 VanDerWaalsContact C-N 3.27Å; A122-D124 PolarHBondContact O-N 3.07Å; D124-L127 PolarHBondContact O-N 3.45Å; D124-A128 WeakPolarHBondContact O-CB 3.36Å; D124-A128 PolarHBondContact O-N 3.14Å
125	I	97.1	Very high	95	Very high	55 Å²	55	90.2 Å²	90.2	28%	0.282	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-45.9	173.9	-60	174.8	0	0	0	110	L104 T108 M121 A122 L127 A128 R129	L104-I125 HydrophobicContact CD1-CG2 4.48Å; L104-I125 HydrophobicContact CD2-CG2 4.14Å; L104-I125 HydrophobicContact CG-CG2 4.5Å; T108-I125 HydrophobicContact CG2-CB 4.5Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å; M121-I125 PolarHBondContact O-N 2.81Å; A122-I125 PolarHBondContact O-N 3.01Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.23Å; I125-A128 PolarHBondContact O-N 2.95Å; I125-R129 HydrophobicContact CG2-CG 4.4Å; I125-R129 WeakPolarHBondContact O-CB 3.46Å; I125-R129 WeakPolarHBondContact O-CG 3.38Å; I125-R129 PolarHBondContact O-N 2.84Å
126	Q	96.5	Very high	92.8	Very high	98 Å²	98	96.1 Å²	96.1	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-39.4	178.5	-71.2	173.5	7	0	0	112.1	A122 K123 R130	A122-Q126 WeakPolarHBondContact O-CG 3.29Å; A122-Q126 PolarHBondContact O-N 3.33Å; K123-Q126 PolarHBondContact O-N 3.39Å; Q126-R130 VanDerWaalsContact O-CB 3.31Å; Q126-R130 WeakPolarHBondContact O-CB 3.42Å; Q126-R130 PolarHBondContact O-N 3.1Å
127	L	96.4	Very high	92.5	Very high	75 Å²	75	88.9 Å²	88.9	39%	0.393	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-47.9	175.8	-179.9	59.8	0	0	0	111.4	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.25Å; K123-L127 WeakPolarHBondContact O-CB 3.16Å; K123-L127 PolarHBondContact O-N 3.43Å; D124-L127 PolarHBondContact O-N 3.45Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.23Å; L127-R129 PolarHBondContact O-N 3.36Å; L127-R130 WeakPolarHBondContact O-CB 3.43Å; L127-R130 PolarHBondContact O-N 3.22Å; L127-R130 VanDerWaalsContact O-N 3.17Å; L127-I131 HydrophobicContact CD1-CD1 3.97Å; L127-I131 HydrophobicContact CD1-CG1 4.28Å; L127-I131 HydrophobicContact CG-CD1 3.98Å; L127-I131 WeakPolarHBondContact O-CG1 3.21Å; L127-I131 PolarHBondContact O-N 3.35Å
128	A	96.6	Very high	92.2	Very high	3 Å²	3	91.1 Å²	91.1	3%	0.025	49%	0.49	C	S	.	.	H	α-helix	trans	-56.9	-49.8	177.1	0	0	0	0	0	111.6	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.14Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D124-A128 WeakPolarHBondContact O-CB 3.36Å; D124-A128 PolarHBondContact O-N 3.14Å; I125-A128 PolarHBondContact O-N 2.95Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.12Å; A128-I131 PolarHBondContact O-N 3.29Å; A128-R132 WeakPolarHBondContact O-CG 3.33Å; A128-R132 PolarHBondContact O-N 2.73Å
129	R	96.4	Very high	91.9	Very high	94 Å²	94	88.6 Å²	88.6	36%	0.355	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-35.8	177	-70.3	-173.6	64	-152.8	-7.3	113.2	L104 I125 L127 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.77Å; L104-R129 HydrophobicContact CD2-CG 4.48Å; I125-R129 HydrophobicContact CG2-CG 4.4Å; I125-R129 WeakPolarHBondContact O-CB 3.46Å; I125-R129 WeakPolarHBondContact O-CG 3.38Å; I125-R129 PolarHBondContact O-N 2.84Å; L127-R129 PolarHBondContact O-N 3.36Å; R129-G133 PolarHBondContact O-N 3.16Å; R129-E134 IonicContact NE-OE2 3.48Å; R129-E134 PolarHBondContact NH2-O 3.41Å; R129-E134 PolarHBondContact O-N 3.13Å; R129-E134 VanDerWaalsContact O-N 3.13Å
130	R	96.1	Very high	91.5	Very high	189 Å²	189	88.4 Å²	88.4	71%	0.713	47%	0.467	S	S	*	.	H	α-helix	trans	-65.8	-44.4	175.9	-178.1	177.5	-178.3	173.7	1.5	111.3	Q126 L127 A128 R132 G133	Q126-R130 VanDerWaalsContact O-CB 3.31Å; Q126-R130 WeakPolarHBondContact O-CB 3.42Å; Q126-R130 PolarHBondContact O-N 3.1Å; L127-R130 WeakPolarHBondContact O-CB 3.43Å; L127-R130 PolarHBondContact O-N 3.22Å; L127-R130 VanDerWaalsContact O-N 3.17Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.12Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R130-G133 PolarHBondContact O-N 2.92Å
131	I	95.2	Very high	91.1	Very high	129 Å²	129	89.5 Å²	89.5	66%	0.662	47%	0.473	S	S	*	.	H	α-helix	trans	-66.7	-37.3	179.1	-66.7	168.7	0	0	0	110.9	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.97Å; L127-I131 HydrophobicContact CD1-CG1 4.28Å; L127-I131 HydrophobicContact CG-CD1 3.98Å; L127-I131 WeakPolarHBondContact O-CG1 3.21Å; L127-I131 PolarHBondContact O-N 3.35Å; A128-I131 PolarHBondContact O-N 3.29Å; I131-G133 PolarHBondContact O-N 3.48Å
132	R	94.9	Very high	90.7	Very high	86 Å²	86	90 Å²	90	33%	0.325	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.8	175.8	-71.5	-175.4	176.8	-163.1	-8.4	114.9	G103 D107 A128 R130 E134	G103-R132 PolarHBondContact O-NH2 3.29Å; D107-R132 IonicContact OD2-CZ 3.94Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.47Å; D107-R132 IonicContact OD2-NH2 3.11Å; D107-R132 PolarHBondContact OD2-NH2 3.21Å; A128-R132 WeakPolarHBondContact O-CG 3.33Å; A128-R132 PolarHBondContact O-N 2.73Å; R130-R132 VanDerWaalsContact C-N 3.33Å; R132-E134 HydrophobicContact CB-CG 3.88Å; R132-E134 WeakPolarHBondContact CD-OE1 3.46Å; R132-E134 IonicContact NE-OE1 3.55Å; R132-E134 IonicContact NH1-OE1 2.7Å; R132-E134 PolarHBondContact NH1-OE1 2.97Å
133	G	94	Very high	90.2	Very high	62 Å²	62	91.6 Å²	91.6	64%	0.639	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	18.3	-174.3	0	0	0	0	0	114.4	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.16Å; R130-G133 PolarHBondContact O-N 2.92Å; I131-G133 PolarHBondContact O-N 3.48Å; G133-R135 VanDerWaalsContact C-N 3.27Å; G133-R135 PolarHBondContact O-N 3.09Å
134	E	86.9	Confident	89.6	Confident	66 Å²	66	89.8 Å²	89.8	31%	0.308	47%	0.47	S	S	.	.			trans	-84.5	-0.6	179.9	-64.9	174.1	-170.9	0	0	113.5	Y100 R129 R132	Y100-E134 VanDerWaalsContact CE2-OE1 3.28Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.3Å; Y100-E134 PolarHBondContact OH-OE2 3.49Å; R129-E134 IonicContact NE-OE2 3.48Å; R129-E134 PolarHBondContact NH2-O 3.41Å; R129-E134 PolarHBondContact O-N 3.13Å; R129-E134 VanDerWaalsContact O-N 3.13Å; R132-E134 HydrophobicContact CB-CG 3.88Å; R132-E134 WeakPolarHBondContact CD-OE1 3.46Å; R132-E134 IonicContact NE-OE1 3.55Å; R132-E134 IonicContact NH1-OE1 2.7Å; R132-E134 PolarHBondContact NH1-OE1 2.97Å
135	R	67	Low	88.9	Confident	134 Å²	134	96.8 Å²	96.8	51%	0.506	51%	0.506	S	S	.	.			trans	-107.6	110.9	178.4	-145.4	175.2	-174.9	172.2	-2.1	107.2	G133	G133-R135 VanDerWaalsContact C-N 3.27Å; G133-R135 PolarHBondContact O-N 3.09Å
136	A	50.2	Low	88.2	Confident	171 Å²	171	100.6 Å²	100.6	100%	1.413	53%	0.527	S	S	*	.			trans	-62.5	0	158.6	0	0	0	0	0	109.8

Retrieved 136 of 136 residues in 147.1 ms (Link to these results)

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