A0A044TMQ9_ONCVO Loading...

Histone H3

AlphaFold DB (A0A1U7QAZ8), UniProt , Accession A0A044TMQ9, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 136 aa.

						>A0A044TMQ9_ONCVO|A0A044TMQ9
MARTKQTARKSTGGKAPRKQLATKAARKSAPSTGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSAAIGALQEASEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
					

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(Predicted Aligned Error values between residue pairs)

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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	47.3	Very low	60.4	Low	252 Å²	252	171.8 Å²	171.8	100%	1.241	88%	0.883	S	S	*	*				0	111.6	0	-74.8	178.7	174	0	0	108.9
2	A	58.1	Low	60.3	Low	104 Å²	104	168.3 Å²	168.3	86%	0.86	88%	0.876	S	S	*	*			trans	-82.2	122.8	-177.3	0	0	0	0	0	110.6	T4	A2-T4 PolarHBondContact O-N 3.32Å
3	R	58.4	Low	60.3	Low	241 Å²	241	161.3 Å²	161.3	91%	0.909	87%	0.87	S	S	*	*			trans	-69.1	112.9	-177.8	-172.5	178.4	-176.6	179.7	2.7	110.3	K5	R3-K5 PolarHBondContact O-N 3.12Å
4	T	63.9	Low	60.5	Low	133 Å²	133	155.6 Å²	155.6	82%	0.816	87%	0.867	S	S	*	*			trans	-67.4	114.6	170.4	33.9	0	0	0	0	109.9	A2 Q6	A2-T4 PolarHBondContact O-N 3.32Å; T4-Q6 PolarHBondContact O-N 3.36Å
5	K	62.3	Low	60.3	Low	198 Å²	198	159.5 Å²	159.5	86%	0.861	87%	0.872	S	S	*	*			trans	-93.2	85.3	174.1	-143.6	179.5	-170.7	-179	0	108.3	R3 T7	R3-K5 PolarHBondContact O-N 3.12Å; K5-T7 PolarHBondContact O-N 3.26Å
6	Q	60.9	Low	60.4	Low	190 Å²	190	155 Å²	155	89%	0.888	86%	0.862	S	S	*	*			trans	-70.1	112.6	164.9	-85.4	-177.1	-10.1	0	0	108.6	T4	T4-Q6 PolarHBondContact O-N 3.36Å
7	T	64.1	Low	60.7	Low	124 Å²	124	153.9 Å²	153.9	76%	0.761	86%	0.863	S	S	*	*			trans	-80.1	119	167.6	50.5	0	0	0	0	109	K5 R9	K5-T7 PolarHBondContact O-N 3.26Å; T7-R9 PolarHBondContact O-N 3.05Å
8	A	60.3	Low	60.7	Low	103 Å²	103	158.8 Å²	158.8	85%	0.851	87%	0.866	S	S	*	*			trans	-59.6	108.6	174.4	0	0	0	0	0	110.5	K10	A8-K10 PolarHBondContact O-N 3.3Å
9	R	64.4	Low	60.5	Low	238 Å²	238	161.2 Å²	161.2	90%	0.898	87%	0.868	S	S	*	*			trans	-82.5	107.9	167.5	-171.9	176.5	175.2	-175.6	-2.2	107.5	T7 S11	T7-R9 PolarHBondContact O-N 3.05Å; R9-S11 PolarHBondContact O-N 3.02Å; R9-S11 VanDerWaalsContact O-N 3.15Å
10	K	58.5	Low	60.8	Low	195 Å²	195	162.9 Å²	162.9	85%	0.848	87%	0.87	S	S	*	*			trans	-59.6	117.2	172.6	-78.2	-176.7	176.5	179.8	0	109.5	A8	A8-K10 PolarHBondContact O-N 3.3Å
11	S	66.6	Low	60.7	Low	112 Å²	112	162.4 Å²	162.4	78%	0.783	87%	0.866	S	S	*	*			trans	-91.9	97.6	163.2	57.1	0	0	0	0	108.6	R9	R9-S11 PolarHBondContact O-N 3.02Å; R9-S11 VanDerWaalsContact O-N 3.15Å
12	T	59.3	Low	61.7	Low	130 Å²	130	155.9 Å²	155.9	80%	0.798	85%	0.852	S	S	*	*			trans	-139.9	98.3	160.3	44.6	0	0	0	0	109.7
13	G	60.2	Low	61.5	Low	77 Å²	77	157.1 Å²	157.1	79%	0.794	85%	0.85	S	S	*	*			trans	-70.3	162.4	152.2	0	0	0	0	0	110.8
14	G	62.1	Low	61.6	Low	81 Å²	81	155.2 Å²	155.2	84%	0.835	85%	0.848	S	S	*	*			trans	91.5	104.1	166.8	0	0	0	0	0	115.1
15	K	58.8	Low	61.3	Low	215 Å²	215	153.6 Å²	153.6	94%	0.935	85%	0.848	S	S	*	*			trans	-60.3	133.5	163.8	-91.2	178.6	170.1	-179.4	0	109.8
16	A	61.5	Low	61.1	Low	87 Å²	87	148.3 Å²	148.3	72%	0.719	84%	0.841	S	S	*	*			trans	-68.4	150.3	168	0	0	0	0	0	111.8	R18	A16-R18 PolarHBondContact O-N 3.37Å
17	P	64.5	Low	61	Low	136 Å²	136	150.2 Å²	150.2	88%	0.883	84%	0.84	S	S	*	*			trans	-77.2	115.6	-178.8	30.5	-30.3	0	0	0	109.8
18	R	61.3	Low	60.8	Low	243 Å²	243	154.6 Å²	154.6	92%	0.917	85%	0.849	S	S	*	*			trans	-107.1	130	175.2	-152.4	173.8	-173.4	175.4	1.4	110	A16	A16-R18 PolarHBondContact O-N 3.37Å
19	K	57.5	Low	60.6	Low	204 Å²	204	154.8 Å²	154.8	89%	0.887	84%	0.844	S	S	*	*			trans	-41.1	134.8	176.1	-138.9	173	-177.6	-179.9	0	112.3	L21	K19-L21 PolarHBondContact O-N 3.47Å
20	Q	65.3	Low	60.5	Low	195 Å²	195	146.6 Å²	146.6	91%	0.911	83%	0.827	S	S	*	*			trans	-61.2	123.5	-177.2	-80.1	177.2	-11.3	0	0	112.4
21	L	59.6	Low	60.4	Low	153 Å²	153	142.2 Å²	142.2	80%	0.801	82%	0.819	S	S	*	*			trans	-131.2	129.4	154.3	-83.1	158.6	0	0	0	105.7	K19 T23	K19-L21 PolarHBondContact O-N 3.47Å; L21-T23 PolarHBondContact O-N 3.34Å
22	A	67.2	Low	60.3	Low	114 Å²	114	142.8 Å²	142.8	94%	0.942	82%	0.823	S	S	*	*			trans	-51.2	107.3	-174.1	0	0	0	0	0	110.8
23	T	55.3	Low	60.6	Low	131 Å²	131	142.4 Å²	142.4	80%	0.804	82%	0.82	S	S	*	*			trans	-107.9	109.1	174.5	34.9	0	0	0	0	106.8	L21 A25	L21-T23 PolarHBondContact O-N 3.34Å; T23-A25 PolarHBondContact O-N 3.22Å
24	K	60.5	Low	60.6	Low	201 Å²	201	141.6 Å²	141.6	87%	0.874	81%	0.812	S	S	*	*			trans	-33	128.5	158.9	-92.5	174.6	171.3	173.2	0	107.6	A26	K24-A26 PolarHBondContact O-N 3.06Å
25	A	58.1	Low	61.1	Low	98 Å²	98	141.7 Å²	141.7	81%	0.81	81%	0.813	S	S	*	*			trans	-60.5	88	171.9	0	0	0	0	0	108.2	T23 R27	T23-A25 PolarHBondContact O-N 3.22Å; A25-R27 PolarHBondContact O-N 2.99Å
26	A	56.5	Low	61.9	Low	88 Å²	88	137.2 Å²	137.2	73%	0.727	80%	0.803	S	S	*	*			trans	-66.9	84.5	166.3	0	0	0	0	0	105.1	K24 K28	K24-A26 PolarHBondContact O-N 3.06Å; A26-K28 PolarHBondContact O-N 3.31Å; A26-K28 VanDerWaalsContact O-N 3.14Å
27	R	60.4	Low	62.7	Low	229 Å²	229	142.4 Å²	142.4	86%	0.864	81%	0.809	S	S	*	*			trans	-46.4	124.3	158.1	-72.1	-177.8	175.4	179.2	-0.7	104.8	A25 S29	A25-R27 PolarHBondContact O-N 2.99Å; R27-S29 PolarHBondContact O-N 2.89Å
28	K	58.1	Low	63.6	Low	216 Å²	216	144.9 Å²	144.9	94%	0.939	81%	0.807	S	S	*	*			trans	-45.1	87.8	-179.7	-75.9	178.3	173.4	176.9	0	110.6	A26	A26-K28 PolarHBondContact O-N 3.31Å; A26-K28 VanDerWaalsContact O-N 3.14Å
29	S	55.9	Low	64.9	Low	108 Å²	108	139 Å²	139	76%	0.755	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.8	132.4	156.2	45.1	0	0	0	0	105.6	R27	R27-S29 PolarHBondContact O-N 2.89Å
30	A	63.1	Low	66.5	Low	65 Å²	65	136.5 Å²	136.5	54%	0.537	79%	0.791	S	S	.	*	P	Polyproline II helix	trans	-54	153.4	-172.2	0	0	0	0	0	112.4	S32	A30-S32 PolarHBondContact O-N 3.24Å
31	P	57	Low	67.9	Low	104 Å²	104	137.9 Å²	137.9	68%	0.675	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-55.2	138	169.3	22.9	-31.2	0	0	0	110.2	T33	P31-T33 PolarHBondContact O-N 3.04Å
32	S	64.7	Low	69.7	Low	124 Å²	124	135.7 Å²	135.7	87%	0.867	77%	0.77	S	S	*	*	S	Bend	trans	-73.5	15.1	-174.8	74.3	0	0	0	0	114.7	A30	A30-S32 PolarHBondContact O-N 3.24Å
33	T	64.3	Low	71.1	Confident	121 Å²	121	140 Å²	140	74%	0.742	76%	0.762	S	S	*	*	S	Bend	trans	-144.5	97.7	178	53.3	0	0	0	0	108.7	P31	P31-T33 PolarHBondContact O-N 3.04Å
34	G	61.8	Low	73.1	Confident	61 Å²	61	139.9 Å²	139.9	63%	0.629	76%	0.763	S	S	*	*	S	Bend	trans	137.2	120.5	-179.3	0	0	0	0	0	110.4	V36	G34-V36 PolarHBondContact O-N 3.22Å
35	G	72.6	Confident	74.8	Confident	82 Å²	82	132.2 Å²	132.2	85%	0.845	74%	0.741	S	S	*	*			trans	-45.8	133.9	-174.1	0	0	0	0	0	113	K37	G35-K37 PolarHBondContact O-N 3.38Å; G35-K37 VanDerWaalsContact O-N 3.1Å
36	V	74.9	Confident	76.7	Confident	122 Å²	122	130.2 Å²	130.2	74%	0.739	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-51	120.2	177.9	-179.1	0	0	0	0	108.7	G34 K38	G34-V36 PolarHBondContact O-N 3.22Å; V36-K38 PolarHBondContact O-N 3.13Å; V36-K38 VanDerWaalsContact O-N 3.07Å
37	K	78.4	Confident	78.7	Confident	195 Å²	195	128.8 Å²	128.8	85%	0.848	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-53.1	120.5	175.6	-175.2	178.8	-179.5	178.7	0	108	G35	G35-K37 PolarHBondContact O-N 3.38Å; G35-K37 VanDerWaalsContact O-N 3.1Å
38	K	82.4	Confident	80.5	Confident	189 Å²	189	120.1 Å²	120.1	82%	0.822	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-51.4	130.6	-179.8	-71.2	-175.5	178.2	179.6	0	109.4	V36 H40	V36-K38 PolarHBondContact O-N 3.13Å; V36-K38 VanDerWaalsContact O-N 3.07Å; K38-H40 PolarHBondContact O-N 2.95Å
39	P	88.6	Confident	82.4	Confident	119 Å²	119	114.3 Å²	114.3	77%	0.773	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-53.8	138.6	173.4	-25.4	33.7	0	0	0	110.3	R41	P39-R41 PolarHBondContact O-N 3.48Å
40	H	92.3	Very high	84.4	Confident	152 Å²	152	115 Å²	115	70%	0.704	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-65.7	124.8	176.4	173.2	-85.4	0	0	0	109.8	K38 Y42	K38-H40 PolarHBondContact O-N 2.95Å; H40-Y42 AromaticContact CE1-CD1 3.69Å; H40-Y42 AromaticContact CE1-CE1 3.59Å; H40-Y42 AromaticContact CE1-CG 3.99Å; H40-Y42 AromaticContact CE1-CZ 3.81Å
41	R	94.8	Very high	86.1	Confident	224 Å²	224	116.5 Å²	116.5	85%	0.845	64%	0.638	S	S	*	*			trans	-120.9	126.6	175	-173.1	175.8	179.8	177.7	1.2	109.6	P39	P39-R41 PolarHBondContact O-N 3.48Å
42	Y	96.3	Very high	88.1	Confident	107 Å²	107	115.6 Å²	115.6	42%	0.42	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-65.7	149.1	171.8	-71	-71.7	0	0	0	110.9	H40 T46 V47 R50	H40-Y42 AromaticContact CE1-CD1 3.69Å; H40-Y42 AromaticContact CE1-CE1 3.59Å; H40-Y42 AromaticContact CE1-CG 3.99Å; H40-Y42 AromaticContact CE1-CZ 3.81Å; Y42-T46 HydrophobicContact CD1-CG2 3.73Å; Y42-T46 HydrophobicContact CE1-CG2 4.46Å; Y42-T46 HydrophobicContact CG-CG2 4.27Å; Y42-V47 HydrophobicContact CD2-CG2 3.89Å; Y42-V47 HydrophobicContact CG-CG2 4.08Å; Y42-R50 VanDerWaalsContact CE1-NH2 3.34Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.27Å; Y42-R50 PolarHBondContact OH-NH2 3.43Å
43	R	96.9	Very high	89.7	Confident	205 Å²	205	118 Å²	118	77%	0.774	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-64.5	147.3	173.5	-66.9	-177.2	174.6	-171.8	-2	110	G45 T46	R43-G45 PolarHBondContact O-N 3.48Å; R43-T46 VanDerWaalsContact O-CB 3.29Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 3.35Å; R43-T46 PolarHBondContact O-OG1 3.04Å
44	P	97.3	Very high	91.3	Very high	128 Å²	128	119.4 Å²	119.4	83%	0.831	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.1	137.5	170.3	-26.2	35.1	0	0	0	110.8	T46	P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 3.01Å
45	G	96.9	Very high	93	Very high	40 Å²	40	121 Å²	121	41%	0.412	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.7	-24.6	-175.5	0	0	0	0	0	115.5	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 3.48Å; G45-V47 PolarHBondContact O-N 3.47Å; G45-A48 PolarHBondContact O-N 3.21Å; G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 WeakPolarHBondContact O-CG 3.48Å; G45-L49 PolarHBondContact O-N 3.03Å
46	T	98.1	Very high	94.2	Very high	55 Å²	55	124.4 Å²	124.4	34%	0.337	59%	0.591	S	S	.	*	H	α-helix	trans	-63.7	-41.4	-179.8	-59.9	0	0	0	0	112.4	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.73Å; Y42-T46 HydrophobicContact CE1-CG2 4.46Å; Y42-T46 HydrophobicContact CG-CG2 4.27Å; R43-T46 VanDerWaalsContact O-CB 3.29Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 3.35Å; R43-T46 PolarHBondContact O-OG1 3.04Å; P44-T46 VanDerWaalsContact C-N 3.3Å; P44-T46 PolarHBondContact O-N 3.01Å; T46-R50 PolarHBondContact O-N 3.41Å
47	V	98.1	Very high	95.3	Very high	58 Å²	58	127.7 Å²	127.7	35%	0.352	60%	0.595	S	S	.	*	H	α-helix	trans	-75	-41.1	178.3	-179	0	0	0	0	110.5	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.89Å; Y42-V47 HydrophobicContact CG-CG2 4.08Å; G45-V47 PolarHBondContact O-N 3.47Å; V47-L49 PolarHBondContact O-N 3.31Å; V47-R50 WeakPolarHBondContact O-CA 3.19Å; V47-R50 WeakPolarHBondContact O-CB 3.42Å; V47-R50 PolarHBondContact O-N 3.48Å; V47-E51 HydrophobicContact CG1-CG 4.41Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.38Å; V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.47Å
48	A	97.9	Very high	96.2	Very high	47 Å²	47	120.4 Å²	120.4	39%	0.388	57%	0.568	S	S	.	*	H	α-helix	trans	-58.1	-45.9	176.5	0	0	0	0	0	112.2	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.21Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.14Å; A48-E51 PolarHBondContact O-N 3.37Å; A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.29Å; A48-I52 PolarHBondContact O-N 3.34Å
49	L	98.3	Very high	96.9	Very high	94 Å²	94	118.4 Å²	118.4	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-63.5	-31.3	175.6	-72.7	177.3	0	0	0	113	G45 V47 I52 R53	G45-L49 WeakPolarHBondContact O-CB 3.37Å; G45-L49 WeakPolarHBondContact O-CG 3.48Å; G45-L49 PolarHBondContact O-N 3.03Å; V47-L49 PolarHBondContact O-N 3.31Å; L49-I52 HydrophobicContact CD2-CD1 4.47Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.45Å; L49-R53 PolarHBondContact O-N 3.36Å
50	R	98.4	Very high	97.3	Very high	124 Å²	124	117.5 Å²	117.5	47%	0.468	56%	0.558	S	S	.	*	H	α-helix	trans	-70.4	-42.2	175	-173.9	-173.2	-59.4	176.9	1.2	111.1	Y42 T46 V47 A48 R54	Y42-R50 VanDerWaalsContact CE1-NH2 3.34Å; Y42-R50 VanDerWaalsContact CZ-NH2 3.27Å; Y42-R50 PolarHBondContact OH-NH2 3.43Å; T46-R50 PolarHBondContact O-N 3.41Å; V47-R50 WeakPolarHBondContact O-CA 3.19Å; V47-R50 WeakPolarHBondContact O-CB 3.42Å; V47-R50 PolarHBondContact O-N 3.48Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.14Å; R50-R54 WeakPolarHBondContact O-CB 3.26Å; R50-R54 PolarHBondContact O-N 2.9Å
51	E	98.2	Very high	97.6	Very high	95 Å²	95	113.1 Å²	113.1	44%	0.444	54%	0.539	S	S	.	.	H	α-helix	trans	-64.6	-46.1	177.2	-72.7	171	-177.4	0	0	111.4	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.41Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.38Å; V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.47Å; A48-E51 PolarHBondContact O-N 3.37Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R54 WeakPolarHBondContact O-CB 3.37Å; E51-R54 PolarHBondContact O-N 3.15Å; E51-R54 VanDerWaalsContact O-N 3.1Å; E51-Y55 HydrophobicContact CB-CD2 4.26Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 HydrophobicContact CG-CE2 4.49Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 PolarHBondContact O-N 3.42Å
52	I	98.2	Very high	97.7	Very high	85 Å²	85	106.9 Å²	106.9	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-54.1	-51.1	175.8	-68.8	164.4	0	0	0	110.7	A48 L49 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.3Å; A48-I52 WeakPolarHBondContact O-CG1 3.29Å; A48-I52 PolarHBondContact O-N 3.34Å; L49-I52 HydrophobicContact CD2-CD1 4.47Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.38Å; I52-Y55 PolarHBondContact O-N 2.98Å; I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.46Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 2.97Å
53	R	98.4	Very high	97.8	Very high	174 Å²	174	104.8 Å²	104.8	66%	0.657	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-36.4	179	-69.5	172.4	-169.4	160.9	3.1	113	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.45Å; L49-R53 PolarHBondContact O-N 3.36Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.35Å; R53-K57 PolarHBondContact O-N 3.13Å
54	R	98.3	Very high	97.9	Very high	151 Å²	151	104.9 Å²	104.9	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-52.3	176.7	176.8	-174.9	168.2	-179	-4.4	109.8	R50 E51 I52 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.26Å; R50-R54 PolarHBondContact O-N 2.9Å; E51-R54 WeakPolarHBondContact O-CB 3.37Å; E51-R54 PolarHBondContact O-N 3.15Å; E51-R54 VanDerWaalsContact O-N 3.1Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.38Å; R54-K57 PolarHBondContact O-N 3.46Å; R54-S58 PolarHBondContact O-N 3.22Å; R54-S58 PolarHBondContact O-OG 3.27Å; R54-E60 IonicContact NH2-OE1 3.55Å
55	Y	98.1	Very high	97.9	Very high	95 Å²	95	106 Å²	106	37%	0.373	51%	0.51	S	S	.	.	H	α-helix	trans	-71.1	-33.2	-174.3	-65.4	-50.6	0	0	0	113.1	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.26Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 HydrophobicContact CG-CE2 4.49Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 PolarHBondContact O-N 3.42Å; I52-Y55 PolarHBondContact O-N 2.98Å; Y55-K57 PolarHBondContact O-N 3.42Å; Y55-S58 WeakPolarHBondContact CA-OG 3.32Å; Y55-S58 PolarHBondContact O-N 3.35Å; Y55-S58 PolarHBondContact O-OG 2.92Å; Y55-L62 HydrophobicContact CD1-CD2 3.62Å; Y55-L62 HydrophobicContact CE1-CD2 3.66Å; Y55-L62 HydrophobicContact CG-CD2 4.42Å
56	Q	97.8	Very high	97.9	Very high	154 Å²	154	108.6 Å²	108.6	72%	0.72	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-22.9	172	-74.6	178.8	-24.3	0	0	113.7	I52	I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.46Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 2.97Å
57	K	98.1	Very high	97.9	Very high	190 Å²	190	109.4 Å²	109.4	83%	0.826	52%	0.52	S	S	*	.	H	α-helix	trans	-87.5	-22.7	178.1	-172.3	174.1	179.9	179.7	0	112.8	R53 R54 Y55	R53-K57 PolarHBondContact O-N 3.13Å; R54-K57 PolarHBondContact O-N 3.46Å; Y55-K57 PolarHBondContact O-N 3.42Å
58	S	97.3	Very high	97.9	Very high	42 Å²	42	107.3 Å²	107.3	29%	0.294	51%	0.506	S	S	.	.			trans	-100.7	158.6	-176.7	57.8	0	0	0	0	111.9	R54 Y55	R54-S58 PolarHBondContact O-N 3.22Å; R54-S58 PolarHBondContact O-OG 3.27Å; Y55-S58 WeakPolarHBondContact CA-OG 3.32Å; Y55-S58 PolarHBondContact O-N 3.35Å; Y55-S58 PolarHBondContact O-OG 2.92Å
59	T	97.1	Very high	97.9	Very high	147 Å²	147	108.5 Å²	108.5	90%	0.902	50%	0.504	S	S	*	.			trans	-117.1	20.9	172.1	56.5	0	0	0	0	111.9
60	E	97.1	Very high	97.9	Very high	101 Å²	101	111.9 Å²	111.9	47%	0.472	51%	0.51	S	S	.	.			trans	-71.2	140.2	177.2	65.6	-177.7	170	0	0	110.9	R54 L62	R54-E60 IonicContact NH2-OE1 3.55Å; E60-L62 HydrophobicContact CG-CD2 4.23Å; E60-L62 PolarHBondContact O-N 3.37Å
61	L	97.7	Very high	97.9	Very high	60 Å²	60	110 Å²	110	31%	0.314	51%	0.508	S	S	.	.			trans	-67.6	130.3	172.1	-64.8	174	0	0	0	109.9	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CB 4.5Å; L61-Q94 HydrophobicContact CD1-CG 4.12Å; L61-Q94 HydrophobicContact CD2-CG 4.4Å; L61-E95 HydrophobicContact CD2-CG 4.12Å; L61-E98 WeakPolarHBondContact CA-OE2 3.46Å
62	L	97.9	Very high	97.9	Very high	93 Å²	93	106.3 Å²	106.3	49%	0.487	49%	0.493	S	S	.	.			trans	-92.1	-26	-173.6	-57.9	-177.5	0	0	0	112.3	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.62Å; Y55-L62 HydrophobicContact CE1-CD2 3.66Å; Y55-L62 HydrophobicContact CG-CD2 4.42Å; E60-L62 HydrophobicContact CG-CD2 4.23Å; E60-L62 PolarHBondContact O-N 3.37Å; L62-E98 PolarHBondContact N-OE1 2.81Å; L62-E98 PolarHBondContact N-OE2 3.29Å
63	I	97.9	Very high	97.9	Very high	63 Å²	63	106.8 Å²	106.8	32%	0.323	49%	0.489	S	S	.	.	S	Bend	trans	-82	134.6	175.8	-55.5	176.7	0	0	0	109	K65 F68 Q94 E98 L101	I63-K65 PolarHBondContact O-N 3.49Å; I63-F68 HydrophobicContact CG2-CB 3.97Å; I63-F68 HydrophobicContact CG2-CD2 4.2Å; I63-Q94 PolarHBondContact O-NE2 2.88Å; I63-E98 VanDerWaalsContact CB-OE1 3.29Å; I63-E98 WeakPolarHBondContact CB-OE1 3.41Å; I63-E98 HydrophobicContact CD1-CG 3.76Å; I63-E98 HydrophobicContact CG1-CG 3.96Å; I63-E98 PolarHBondContact N-OE1 2.71Å; I63-L101 HydrophobicContact CD1-CD1 4.45Å
64	R	98.4	Very high	97.8	Very high	207 Å²	207	104.8 Å²	104.8	78%	0.781	49%	0.487	S	S	*	.			trans	-63.8	129.8	177	-65.2	-174.9	-178.3	-158.1	1.2	110.1	L66 P67 F68	R64-L66 PolarHBondContact O-N 2.99Å; R64-P67 HydrophobicContact CB-CG 3.94Å; R64-P67 WeakPolarHBondContact O-CD 3.38Å; R64-F68 PolarHBondContact O-N 3.29Å; R64-F68 VanDerWaalsContact O-N 3.15Å
65	K	96.9	Very high	97.8	Very high	151 Å²	151	101.8 Å²	101.8	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-55.8	-46.9	-175	-62.5	-166.3	174.8	-161.2	0	114.3	I63 F68 Q69	I63-K65 PolarHBondContact O-N 3.49Å; K65-F68 PolarHBondContact O-N 2.92Å; K65-Q69 WeakPolarHBondContact O-CB 3.34Å; K65-Q69 PolarHBondContact O-N 3.12Å
66	L	97.6	Very high	97.8	Very high	94 Å²	94	97.9 Å²	97.9	49%	0.492	47%	0.469	S	S	.	.	H	α-helix	trans	-67.8	-48.1	-175.5	176.3	65.6	0	0	0	113	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 2.99Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.33Å; L66-Q69 PolarHBondContact O-N 2.99Å; L66-R70 WeakPolarHBondContact O-CG 3.43Å; L66-R70 PolarHBondContact O-N 2.96Å
67	P	98.4	Very high	97.7	Very high	72 Å²	72	95 Å²	95	47%	0.468	46%	0.456	S	S	.	.	H	α-helix	trans	-56.6	-44.1	171	-28.7	35.9	0	0	0	113.5	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.94Å; R64-P67 WeakPolarHBondContact O-CD 3.38Å; P67-Q69 PolarHBondContact O-N 3.2Å; P67-R70 PolarHBondContact O-N 3.32Å; P67-L71 PolarHBondContact O-N 3.26Å
68	F	98.4	Very high	97.7	Very high	15 Å²	15	92.4 Å²	92.4	7%	0.066	45%	0.45	C	S	.	.	H	α-helix	trans	-60.6	-45.8	177.6	-174.4	-94.6	0	0	0	111.8	I63 R64 K65 L66 R70 L71 V72 I90 L93 Q94	I63-F68 HydrophobicContact CG2-CB 3.97Å; I63-F68 HydrophobicContact CG2-CD2 4.2Å; R64-F68 PolarHBondContact O-N 3.29Å; R64-F68 VanDerWaalsContact O-N 3.15Å; K65-F68 PolarHBondContact O-N 2.92Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.33Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.9Å; F68-L71 PolarHBondContact O-N 3.45Å; F68-V72 HydrophobicContact CD1-CG2 3.94Å; F68-V72 HydrophobicContact CE1-CG2 3.48Å; F68-V72 VanDerWaalsContact CE1-CG2 3.48Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 2.55Å; F68-I90 HydrophobicContact CD1-CG2 4.29Å; F68-L93 HydrophobicContact CE1-CB 4.06Å; F68-L93 HydrophobicContact CZ-CB 4.2Å; F68-Q94 HydrophobicContact CD1-CB 3.67Å; F68-Q94 HydrophobicContact CD1-CG 3.84Å; F68-Q94 HydrophobicContact CD2-CG 4.23Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 3.98Å; F68-Q94 HydrophobicContact CE2-CB 4.48Å; F68-Q94 HydrophobicContact CE2-CG 4.34Å; F68-Q94 HydrophobicContact CG-CB 4.32Å; F68-Q94 HydrophobicContact CG-CG 3.99Å; F68-Q94 HydrophobicContact CZ-CB 3.89Å; F68-Q94 HydrophobicContact CZ-CG 4.24Å
69	Q	97.9	Very high	97.6	Very high	72 Å²	72	98.8 Å²	98.8	34%	0.336	47%	0.473	S	S	.	.	H	α-helix	trans	-59.3	-40.5	175.8	-178.5	-173.4	-49.6	0	0	112.5	K65 L66 P67 V72 R73 I90	K65-Q69 WeakPolarHBondContact O-CB 3.34Å; K65-Q69 PolarHBondContact O-N 3.12Å; L66-Q69 PolarHBondContact O-N 2.99Å; P67-Q69 PolarHBondContact O-N 3.2Å; Q69-V72 PolarHBondContact O-N 3.29Å; Q69-R73 WeakPolarHBondContact O-CG 3.39Å; Q69-R73 PolarHBondContact O-N 2.94Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; Q69-I90 HydrophobicContact CB-CG2 4.14Å; Q69-I90 HydrophobicContact CG-CG2 4.34Å
70	R	98.1	Very high	97.6	Very high	164 Å²	164	98.3 Å²	98.3	62%	0.619	46%	0.459	S	S	*	.	H	α-helix	trans	-62.7	-46.2	177.3	-73.2	175.3	179.4	-177.6	-1.8	110.8	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.43Å; L66-R70 PolarHBondContact O-N 2.96Å; P67-R70 PolarHBondContact O-N 3.32Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.9Å; R70-V72 PolarHBondContact O-N 3.01Å; R70-R73 PolarHBondContact O-N 2.67Å; R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 PolarHBondContact O-N 3.47Å
71	L	98.4	Very high	97.5	Very high	84 Å²	84	97.4 Å²	97.4	44%	0.44	46%	0.46	S	S	.	.	H	α-helix	trans	-60.5	-44.4	177.2	178.8	63.2	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 3.26Å; F68-L71 PolarHBondContact O-N 3.45Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 2.99Å; L71-E74 PolarHBondContact O-N 3.28Å; L71-I75 HydrophobicContact CD1-CD1 3.91Å; L71-I75 HydrophobicContact CD1-CG1 4.21Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 WeakPolarHBondContact O-CG1 3.39Å; L71-I75 PolarHBondContact O-N 3.46Å
72	V	98.1	Very high	97.3	Very high	19 Å²	19	101.3 Å²	101.3	12%	0.115	48%	0.482	C	S	.	.	H	α-helix	trans	-59.2	-42.7	176.9	169.9	0	0	0	0	111.3	F68 Q69 R70 A76 F85 I90 L93	F68-V72 HydrophobicContact CD1-CG2 3.94Å; F68-V72 HydrophobicContact CE1-CG2 3.48Å; F68-V72 VanDerWaalsContact CE1-CG2 3.48Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CG2 3.29Å; F68-V72 PolarHBondContact O-N 2.55Å; Q69-V72 PolarHBondContact O-N 3.29Å; R70-V72 PolarHBondContact O-N 3.01Å; V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 3.45Å; V72-F85 HydrophobicContact CG1-CD1 4.38Å; V72-F85 HydrophobicContact CG1-CE1 3.91Å; V72-F85 HydrophobicContact CG1-CZ 4.19Å; V72-I90 HydrophobicContact CB-CD1 4.23Å; V72-I90 HydrophobicContact CG1-CD1 3.64Å; V72-L93 HydrophobicContact CG1-CD1 3.59Å; V72-L93 HydrophobicContact CG2-CD1 4.23Å
73	R	97.1	Very high	97.2	Very high	94 Å²	94	100.1 Å²	100.1	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-70.6	-38	179.6	-71.3	176.8	-179.8	-79.2	0.5	112.5	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.39Å; Q69-R73 PolarHBondContact O-N 2.94Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.67Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 2.99Å; R73-A76 PolarHBondContact O-N 3.48Å; R73-Q77 WeakPolarHBondContact O-CB 3.43Å; R73-Q77 PolarHBondContact O-N 3.48Å; R73-F85 HydrophobicContact CG-CD2 4.24Å; R73-F85 HydrophobicContact CG-CE2 4.32Å
74	E	97.5	Very high	97.1	Very high	132 Å²	132	108.5 Å²	108.5	62%	0.617	50%	0.503	S	S	*	.	H	α-helix	trans	-58.5	-54.3	174.4	-176.6	-177.7	151.8	0	0	110.5	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.31Å; R70-E74 PolarHBondContact O-N 3.47Å; L71-E74 PolarHBondContact O-N 3.28Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 3.03Å; E74-Q77 WeakPolarHBondContact O-CB 3.39Å; E74-Q77 PolarHBondContact O-N 3.43Å
75	I	97.8	Very high	97	Very high	88 Å²	88	101.3 Å²	101.3	45%	0.451	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-43.9	178.5	-65.7	168.4	0	0	0	111.1	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.91Å; L71-I75 HydrophobicContact CD1-CG1 4.21Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 WeakPolarHBondContact O-CG1 3.39Å; L71-I75 PolarHBondContact O-N 3.46Å; I75-Q77 VanDerWaalsContact C-N 3.26Å; I75-Q77 PolarHBondContact O-N 3Å; I75-D78 WeakPolarHBondContact O-CB 3.13Å; I75-D78 PolarHBondContact O-N 3.35Å; I75-F79 HydrophobicContact CG2-CE2 3.93Å; I75-F79 WeakPolarHBondContact O-CD2 3.4Å
76	A	97.4	Very high	97.1	Very high	14 Å²	14	100.7 Å²	100.7	12%	0.116	48%	0.477	C	S	.	.	H	α-helix	trans	-66	-29.8	-177.2	0	0	0	0	0	113.3	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.47Å; V72-A76 PolarHBondContact O-N 3.45Å; R73-A76 PolarHBondContact O-N 3.48Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 3.03Å; A76-D78 PolarHBondContact O-N 2.84Å; A76-F79 PolarHBondContact O-N 2.94Å; A76-F79 VanDerWaalsContact O-N 3.12Å; A76-K80 PolarHBondContact O-N 3.11Å; A76-L83 HydrophobicContact CB-CD1 4.08Å; A76-F85 HydrophobicContact CB-CE2 3.94Å; A76-F85 HydrophobicContact CB-CZ 3.49Å; A76-F85 VanDerWaalsContact CB-CZ 3.49Å
77	Q	96.7	Very high	97	Very high	94 Å²	94	101.3 Å²	101.3	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-31.7	178.3	-170.8	69	18.7	0	0	111.8	R73 E74 I75 F79 T81	R73-Q77 WeakPolarHBondContact O-CB 3.43Å; R73-Q77 PolarHBondContact O-N 3.48Å; E74-Q77 WeakPolarHBondContact O-CB 3.39Å; E74-Q77 PolarHBondContact O-N 3.43Å; I75-Q77 VanDerWaalsContact C-N 3.26Å; I75-Q77 PolarHBondContact O-N 3Å; Q77-F79 PolarHBondContact O-N 2.9Å; Q77-T81 VanDerWaalsContact NE2-CG2 3.33Å
78	D	97.1	Very high	97	Very high	134 Å²	134	100.6 Å²	100.6	72%	0.717	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.7	177.3	-63.3	-24.2	0	0	0	112.6	I75 A76	I75-D78 WeakPolarHBondContact O-CB 3.13Å; I75-D78 PolarHBondContact O-N 3.35Å; A76-D78 PolarHBondContact O-N 2.84Å
79	F	96.1	Very high	97	Very high	176 Å²	176	101.7 Å²	101.7	77%	0.772	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-42.2	179.6	-63.9	-85.8	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.93Å; I75-F79 WeakPolarHBondContact O-CD2 3.4Å; A76-F79 PolarHBondContact O-N 2.94Å; A76-F79 VanDerWaalsContact O-N 3.12Å; Q77-F79 PolarHBondContact O-N 2.9Å
80	K	96.6	Very high	97	Very high	138 Å²	138	98.9 Å²	98.9	60%	0.6	49%	0.488	S	S	*	.			trans	-155.9	127.5	179.4	179.5	165.4	179.7	174.2	0	110.7	A76 L83	A76-K80 PolarHBondContact O-N 3.11Å; K80-L83 HydrophobicContact CB-CD1 3.99Å; K80-L83 HydrophobicContact CB-CD2 4.43Å; K80-L83 HydrophobicContact CB-CG 4.11Å; K80-L83 HydrophobicContact CD-CD2 4.01Å; K80-L83 HydrophobicContact CG-CD2 4.13Å; K80-L83 HydrophobicContact CG-CG 4.11Å; K80-L83 WeakPolarHBondContact O-CG 3.33Å
81	T	94.9	Very high	97	Very high	82 Å²	82	92.3 Å²	92.3	50%	0.503	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	156	176.1	67.6	0	0	0	0	111.4	Q77 L83	Q77-T81 VanDerWaalsContact NE2-CG2 3.33Å; T81-L83 VanDerWaalsContact C-N 3.31Å; T81-L83 PolarHBondContact O-N 3.01Å
82	D	93.1	Very high	97	Very high	142 Å²	142	91 Å²	91	76%	0.759	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	28.5	172.6	-52.8	-50.8	0	0	0	115.6
83	L	95.9	Very high	97	Very high	67 Å²	67	93.7 Å²	93.7	35%	0.351	49%	0.485	S	S	.	.			trans	-71.7	133.3	173.5	-73	175.5	0	0	0	112.6	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.08Å; K80-L83 HydrophobicContact CB-CD1 3.99Å; K80-L83 HydrophobicContact CB-CD2 4.43Å; K80-L83 HydrophobicContact CB-CG 4.11Å; K80-L83 HydrophobicContact CD-CD2 4.01Å; K80-L83 HydrophobicContact CG-CD2 4.13Å; K80-L83 HydrophobicContact CG-CG 4.11Å; K80-L83 WeakPolarHBondContact O-CG 3.33Å; T81-L83 VanDerWaalsContact C-N 3.31Å; T81-L83 PolarHBondContact O-N 3.01Å; L83-F85 HydrophobicContact CB-CE2 3.95Å
84	R	96.6	Very high	97.1	Very high	240 Å²	240	89.4 Å²	89.4	91%	0.906	47%	0.469	S	S	*	.			trans	-101.8	135.9	169	-64.9	-179.4	70.9	-172	2.2	109.6
85	F	97.2	Very high	97.1	Very high	55 Å²	55	89 Å²	89	24%	0.241	47%	0.468	C	S	.	.			trans	-111.1	132.9	179.3	-72.7	-95.5	0	0	0	110.3	V72 R73 A76 L83 I90	V72-F85 HydrophobicContact CG1-CD1 4.38Å; V72-F85 HydrophobicContact CG1-CE1 3.91Å; V72-F85 HydrophobicContact CG1-CZ 4.19Å; R73-F85 HydrophobicContact CG-CD2 4.24Å; R73-F85 HydrophobicContact CG-CE2 4.32Å; A76-F85 HydrophobicContact CB-CE2 3.94Å; A76-F85 HydrophobicContact CB-CZ 3.49Å; A76-F85 VanDerWaalsContact CB-CZ 3.49Å; L83-F85 HydrophobicContact CB-CE2 3.95Å; F85-I90 HydrophobicContact CB-CD1 3.73Å; F85-I90 HydrophobicContact CB-CG1 3.97Å; F85-I90 HydrophobicContact CD1-CD1 3.6Å; F85-I90 HydrophobicContact CE1-CD1 4.38Å; F85-I90 HydrophobicContact CG-CD1 3.72Å
86	Q	98.1	Very high	97.1	Very high	139 Å²	139	87.9 Å²	87.9	65%	0.65	47%	0.471	S	S	*	.			trans	-67.1	148	164.3	-169.8	178.8	-4.7	0	0	109.7	A88 A89 I90	Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 HydrophobicContact CG-CB 4.21Å; Q86-A88 PolarHBondContact O-N 2.86Å; Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.31Å; Q86-A89 PolarHBondContact O-N 3.25Å; Q86-A89 VanDerWaalsContact O-N 3.14Å; Q86-I90 PolarHBondContact O-N 3.45Å
87	S	96.4	Very high	97.2	Very high	107 Å²	107	89.3 Å²	89.3	75%	0.748	48%	0.48	S	S	*	.	H	α-helix	trans	-57.9	-41.6	175	52.9	0	0	0	0	112.3	A89 I90 G91	S87-A89 VanDerWaalsContact C-N 3.32Å; S87-A89 PolarHBondContact O-N 3.07Å; S87-I90 PolarHBondContact O-N 3.16Å; S87-G91 PolarHBondContact O-N 3.27Å
88	A	97.8	Very high	97.3	Very high	57 Å²	57	85.7 Å²	85.7	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-62.8	-35	176.4	0	0	0	0	0	112.9	Q86 G91 A92	Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 HydrophobicContact CG-CB 4.21Å; Q86-A88 PolarHBondContact O-N 2.86Å; A88-G91 PolarHBondContact O-N 3.42Å; A88-A92 WeakPolarHBondContact O-CB 3.35Å; A88-A92 PolarHBondContact O-N 2.69Å
89	A	98	Very high	97.3	Very high	37 Å²	37	82.5 Å²	82.5	31%	0.306	46%	0.456	S	S	.	.	H	α-helix	trans	-65.6	-42.8	177.5	0	0	0	0	0	111.6	Q86 S87 G91 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.2Å; Q86-A89 WeakPolarHBondContact O-CB 3.31Å; Q86-A89 PolarHBondContact O-N 3.25Å; Q86-A89 VanDerWaalsContact O-N 3.14Å; S87-A89 VanDerWaalsContact C-N 3.32Å; S87-A89 PolarHBondContact O-N 3.07Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 2.8Å; A89-A92 PolarHBondContact O-N 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.47Å; A89-L93 PolarHBondContact O-N 2.78Å
90	I	97.7	Very high	97.4	Very high	14 Å²	14	78.7 Å²	78.7	7%	0.072	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-39.9	174.1	-56.8	-59.8	0	0	0	110.7	F68 Q69 V72 F85 Q86 S87 L93 Q94	F68-I90 HydrophobicContact CD1-CG2 4.29Å; Q69-I90 HydrophobicContact CB-CG2 4.14Å; Q69-I90 HydrophobicContact CG-CG2 4.34Å; V72-I90 HydrophobicContact CB-CD1 4.23Å; V72-I90 HydrophobicContact CG1-CD1 3.64Å; F85-I90 HydrophobicContact CB-CD1 3.73Å; F85-I90 HydrophobicContact CB-CG1 3.97Å; F85-I90 HydrophobicContact CD1-CD1 3.6Å; F85-I90 HydrophobicContact CE1-CD1 4.38Å; F85-I90 HydrophobicContact CG-CD1 3.72Å; Q86-I90 PolarHBondContact O-N 3.45Å; S87-I90 PolarHBondContact O-N 3.16Å; I90-L93 PolarHBondContact O-N 3.23Å; I90-Q94 WeakPolarHBondContact O-CB 3.29Å; I90-Q94 PolarHBondContact O-N 3.39Å
91	G	98	Very high	97.5	Very high	25 Å²	25	75.4 Å²	75.4	26%	0.258	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-49.2	175.1	0	0	0	0	0	112.7	S87 A88 A89 L93 Q94 E95	S87-G91 PolarHBondContact O-N 3.27Å; A88-G91 PolarHBondContact O-N 3.42Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 2.8Å; G91-L93 PolarHBondContact O-N 2.98Å; G91-Q94 PolarHBondContact O-N 3.2Å; G91-Q94 VanDerWaalsContact O-N 3.11Å; G91-E95 WeakPolarHBondContact O-CG 3.25Å; G91-E95 PolarHBondContact O-N 2.67Å
92	A	98.4	Very high	97.6	Very high	56 Å²	56	75 Å²	75	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-42.5	178.7	0	0	0	0	0	112.4	A88 A89 Q94 E95 A96	A88-A92 WeakPolarHBondContact O-CB 3.35Å; A88-A92 PolarHBondContact O-N 2.69Å; A89-A92 PolarHBondContact O-N 3.32Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.02Å; A92-E95 PolarHBondContact O-N 2.75Å; A92-A96 WeakPolarHBondContact O-CB 3.47Å; A92-A96 PolarHBondContact O-N 3.31Å
93	L	98.4	Very high	97.9	Very high	76 Å²	76	69 Å²	69	40%	0.398	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-39.9	174.4	-72.4	170.6	0	0	0	111.5	F68 V72 A89 I90 G91 S97	F68-L93 HydrophobicContact CE1-CB 4.06Å; F68-L93 HydrophobicContact CZ-CB 4.2Å; V72-L93 HydrophobicContact CG1-CD1 3.59Å; V72-L93 HydrophobicContact CG2-CD1 4.23Å; A89-L93 WeakPolarHBondContact O-CG 3.47Å; A89-L93 PolarHBondContact O-N 2.78Å; I90-L93 PolarHBondContact O-N 3.23Å; G91-L93 PolarHBondContact O-N 2.98Å; L93-S97 VanDerWaalsContact O-CB 3.25Å; L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 3.48Å; L93-S97 PolarHBondContact O-OG 3.2Å
94	Q	98.4	Very high	98	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.019	38%	0.382	C	S	.	.	H	α-helix	trans	-68.5	-47.6	179.5	-166.7	172.9	-18.1	0	0	111.7	L61 I63 F68 I90 G91 A92 A96 S97 E98	L61-Q94 HydrophobicContact CD1-CB 4.5Å; L61-Q94 HydrophobicContact CD1-CG 4.12Å; L61-Q94 HydrophobicContact CD2-CG 4.4Å; I63-Q94 PolarHBondContact O-NE2 2.88Å; F68-Q94 HydrophobicContact CD1-CB 3.67Å; F68-Q94 HydrophobicContact CD1-CG 3.84Å; F68-Q94 HydrophobicContact CD2-CG 4.23Å; F68-Q94 HydrophobicContact CE1-CB 3.42Å; F68-Q94 VanDerWaalsContact CE1-CB 3.42Å; F68-Q94 HydrophobicContact CE1-CG 3.98Å; F68-Q94 HydrophobicContact CE2-CB 4.48Å; F68-Q94 HydrophobicContact CE2-CG 4.34Å; F68-Q94 HydrophobicContact CG-CB 4.32Å; F68-Q94 HydrophobicContact CG-CG 3.99Å; F68-Q94 HydrophobicContact CZ-CB 3.89Å; F68-Q94 HydrophobicContact CZ-CG 4.24Å; I90-Q94 WeakPolarHBondContact O-CB 3.29Å; I90-Q94 PolarHBondContact O-N 3.39Å; G91-Q94 PolarHBondContact O-N 3.2Å; G91-Q94 VanDerWaalsContact O-N 3.11Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.02Å; Q94-A96 PolarHBondContact O-N 3.46Å; Q94-S97 PolarHBondContact O-N 2.92Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.47Å; Q94-E98 PolarHBondContact O-N 2.67Å
95	E	98.3	Very high	98	Very high	125 Å²	125	60 Å²	60	58%	0.584	36%	0.36	S	S	*	.	H	α-helix	trans	-57.6	-48.2	177	-74.8	178	-172.8	0	0	111.4	L61 G91 A92 S97 A99	L61-E95 HydrophobicContact CD2-CG 4.12Å; G91-E95 WeakPolarHBondContact O-CG 3.25Å; G91-E95 PolarHBondContact O-N 2.67Å; A92-E95 PolarHBondContact O-N 2.75Å; E95-S97 PolarHBondContact O-N 2.95Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.28Å; E95-A99 PolarHBondContact O-N 3.33Å
96	A	98.4	Very high	98.1	Very high	63 Å²	63	62.9 Å²	62.9	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-42.3	178.4	0	0	0	0	0	112.3	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.47Å; A92-A96 PolarHBondContact O-N 3.31Å; Q94-A96 PolarHBondContact O-N 3.46Å; A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 3.01Å
97	S	98.4	Very high	98.1	Very high	44 Å²	44	58.7 Å²	58.7	31%	0.308	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-45.3	-179.6	-60.8	0	0	0	0	112	L93 Q94 E95 Y100 L101	L93-S97 VanDerWaalsContact O-CB 3.25Å; L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 3.48Å; L93-S97 PolarHBondContact O-OG 3.2Å; Q94-S97 PolarHBondContact O-N 2.92Å; E95-S97 PolarHBondContact O-N 2.95Å; S97-Y100 PolarHBondContact O-N 3.09Å; S97-L101 VanDerWaalsContact O-CG 3.31Å; S97-L101 WeakPolarHBondContact O-CG 3.26Å; S97-L101 PolarHBondContact O-N 3.34Å
98	E	98.5	Very high	98.2	Very high	19 Å²	19	53.6 Å²	53.6	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-68.2	-41.6	179	-70.5	-167.8	-151	0	0	111.6	L61 L62 I63 Q94 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.46Å; L62-E98 PolarHBondContact N-OE1 2.81Å; L62-E98 PolarHBondContact N-OE2 3.29Å; I63-E98 VanDerWaalsContact CB-OE1 3.29Å; I63-E98 WeakPolarHBondContact CB-OE1 3.41Å; I63-E98 HydrophobicContact CD1-CG 3.76Å; I63-E98 HydrophobicContact CG1-CG 3.96Å; I63-E98 PolarHBondContact N-OE1 2.71Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.47Å; Q94-E98 PolarHBondContact O-N 2.67Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 3.3Å; E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.05Å; E98-V102 PolarHBondContact O-N 2.88Å
99	A	98.3	Very high	98.2	Very high	67 Å²	67	54.2 Å²	54.2	55%	0.554	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-45	174.9	0	0	0	0	0	111.9	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.28Å; E95-A99 PolarHBondContact O-N 3.33Å; A99-V102 PolarHBondContact O-N 3.49Å; A99-G103 PolarHBondContact O-N 3.4Å
100	Y	98.1	Very high	98.3	Very high	96 Å²	96	57.7 Å²	57.7	38%	0.376	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-46.6	176.2	171.2	-97.9	0	0	0	112.1	A96 S97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 3.01Å; S97-Y100 PolarHBondContact O-N 3.09Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 2.89Å; Y100-G103 PolarHBondContact O-N 3.04Å; Y100-L104 HydrophobicContact CE1-CD2 4.2Å; Y100-L104 WeakPolarHBondContact O-CB 3.29Å; Y100-L104 PolarHBondContact O-N 2.97Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.32Å; Y100-E134 PolarHBondContact OH-OE2 3.41Å
101	L	98.1	Very high	98.3	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.356	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-40.8	179.8	-72.3	174.9	0	0	0	112.3	I63 S97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.45Å; S97-L101 VanDerWaalsContact O-CG 3.31Å; S97-L101 WeakPolarHBondContact O-CG 3.26Å; S97-L101 PolarHBondContact O-N 3.34Å; E98-L101 PolarHBondContact O-N 3.3Å; L101-L104 PolarHBondContact O-N 3.46Å; L101-F105 HydrophobicContact CB-CE2 4.44Å; L101-F105 WeakPolarHBondContact O-CD2 3.5Å; L101-F105 WeakPolarHBondContact O-CG 3.39Å; L101-F105 PolarHBondContact O-N 2.99Å
102	V	98.2	Very high	98.3	Very high	74 Å²	74	56.6 Å²	56.6	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-50.9	175.3	170.6	0	0	0	0	110.1	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.05Å; E98-V102 PolarHBondContact O-N 2.88Å; A99-V102 PolarHBondContact O-N 3.49Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 2.91Å; V102-F105 PolarHBondContact O-N 2.74Å; V102-F105 VanDerWaalsContact O-N 3.09Å; V102-E106 WeakPolarHBondContact O-CG 3.47Å; V102-E106 PolarHBondContact O-N 3.49Å
103	G	97.8	Very high	98.3	Very high	17 Å²	17	58.5 Å²	58.5	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-40.3	176.9	0	0	0	0	0	112.1	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.4Å; Y100-G103 PolarHBondContact O-N 3.04Å; G103-F105 VanDerWaalsContact C-N 3.34Å; G103-F105 PolarHBondContact O-N 3.45Å; G103-E106 PolarHBondContact O-N 3.47Å; G103-D107 PolarHBondContact O-N 3.32Å; G103-R132 PolarHBondContact O-NH2 3.15Å
104	L	98.1	Very high	98.3	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-38.2	176.2	-179.9	60.6	0	0	0	112.1	Y100 L101 V102 E106 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.2Å; Y100-L104 WeakPolarHBondContact O-CB 3.29Å; Y100-L104 PolarHBondContact O-N 2.97Å; L101-L104 PolarHBondContact O-N 3.46Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 2.91Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-D107 PolarHBondContact O-N 2.88Å; L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.31Å; L104-T108 PolarHBondContact O-N 3.27Å; L104-T108 PolarHBondContact O-OG1 3.49Å; L104-I125 HydrophobicContact CD2-CG2 4.16Å; L104-A128 HydrophobicContact CD1-CB 4.03Å; L104-R129 HydrophobicContact CD1-CG 3.82Å; L104-R129 HydrophobicContact CD2-CG 4.39Å
105	F	98.4	Very high	98.3	Very high	101 Å²	101	64.8 Å²	64.8	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-31.9	176	-78	-55.2	0	0	0	113	L101 V102 G103 T108 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.44Å; L101-F105 WeakPolarHBondContact O-CD2 3.5Å; L101-F105 WeakPolarHBondContact O-CG 3.39Å; L101-F105 PolarHBondContact O-N 2.99Å; V102-F105 PolarHBondContact O-N 2.74Å; V102-F105 VanDerWaalsContact O-N 3.09Å; G103-F105 VanDerWaalsContact C-N 3.34Å; G103-F105 PolarHBondContact O-N 3.45Å; F105-T108 PolarHBondContact O-N 3.17Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.28Å; F105-N109 PolarHBondContact O-N 2.94Å; F105-I120 HydrophobicContact CD1-CD1 3.79Å; F105-I120 HydrophobicContact CE1-CD1 3.87Å
106	E	98.3	Very high	98.3	Very high	116 Å²	116	68.6 Å²	68.6	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-50.9	172.8	-69.6	174	174.6	0	0	111.1	V102 G103 L104 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.47Å; V102-E106 PolarHBondContact O-N 3.49Å; G103-E106 PolarHBondContact O-N 3.47Å; L104-E106 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 2.87Å; E106-N109 WeakPolarHBondContact O-CB 3.44Å; E106-N109 PolarHBondContact O-N 2.94Å; E106-L110 PolarHBondContact O-N 3.19Å
107	D	98.3	Very high	98.3	Very high	51 Å²	51	68 Å²	68	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-40.1	177.1	-73.3	-2.8	0	0	0	112.4	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.32Å; L104-D107 PolarHBondContact O-N 2.88Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 3.44Å; D107-L110 WeakPolarHBondContact O-CB 3.34Å; D107-L110 PolarHBondContact O-N 3.37Å; D107-C111 PolarHBondContact O-N 3.28Å; D107-C111 PolarHBondContact O-SG 2.93Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D107-R132 VanDerWaalsContact CG-NH2 3.26Å; D107-R132 IonicContact OD1-NH2 2.67Å; D107-R132 IonicContact OD2-CZ 3.12Å; D107-R132 IonicContact OD2-NE 3.86Å; D107-R132 PolarHBondContact OD2-NE 3.43Å; D107-R132 IonicContact OD2-NH2 3.56Å; D107-R132 PolarHBondContact OD2-NH2 3.29Å
108	T	98.5	Very high	98.2	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-40.2	175.9	-60.6	0	0	0	0	110.7	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.31Å; L104-T108 PolarHBondContact O-N 3.27Å; L104-T108 PolarHBondContact O-OG1 3.49Å; F105-T108 PolarHBondContact O-N 3.17Å; E106-T108 PolarHBondContact O-N 2.87Å; T108-C111 WeakPolarHBondContact O-CB 3.42Å; T108-C111 PolarHBondContact O-N 3.37Å; T108-A112 PolarHBondContact O-N 3.38Å; T108-I120 HydrophobicContact CG2-CB 3.83Å; T108-I120 HydrophobicContact CG2-CD1 4.38Å; T108-I120 HydrophobicContact CG2-CG2 3.85Å; T108-D124 HydrophobicContact CG2-CB 3.59Å; T108-I125 HydrophobicContact CG2-CB 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.52Å
109	N	98.5	Very high	98.2	Very high	70 Å²	70	76.2 Å²	76.2	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-40.8	176.7	-174.3	51.6	0	0	0	111.5	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.28Å; F105-N109 PolarHBondContact O-N 2.94Å; E106-N109 WeakPolarHBondContact O-CB 3.44Å; E106-N109 PolarHBondContact O-N 2.94Å; D107-N109 VanDerWaalsContact C-N 3.26Å; D107-N109 PolarHBondContact O-N 3.44Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3.05Å; N109-A112 PolarHBondContact O-N 3.4Å; N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.15Å; N109-I113 PolarHBondContact O-N 3.32Å; N109-I120 HydrophobicContact CB-CG2 4.44Å
110	L	98.4	Very high	98.2	Very high	110 Å²	110	76.2 Å²	76.2	58%	0.576	39%	0.393	S	S	*	.	H	α-helix	trans	-60.1	-41.3	172.7	-66.2	177	0	0	0	111.9	E106 D107 I113 H114	E106-L110 PolarHBondContact O-N 3.19Å; D107-L110 WeakPolarHBondContact O-CB 3.34Å; D107-L110 PolarHBondContact O-N 3.37Å; L110-I113 PolarHBondContact O-N 3.34Å; L110-H114 WeakPolarHBondContact O-CB 3.43Å; L110-H114 PolarHBondContact O-N 3.35Å
111	C	98.3	Very high	98.2	Very high	17 Å²	17	75.2 Å²	75.2	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-41.5	175.2	-66.9	0	0	0	0	112.3	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.28Å; D107-C111 PolarHBondContact O-SG 2.93Å; T108-C111 WeakPolarHBondContact O-CB 3.42Å; T108-C111 PolarHBondContact O-N 3.37Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3.05Å; C111-H114 PolarHBondContact O-N 3.03Å; C111-A115 PolarHBondContact O-N 3.41Å; C111-A115 VanDerWaalsContact O-N 3.16Å; C111-D124 HydrophobicContact CB-CB 3.93Å; C111-L127 HydrophobicContact CB-CD2 4.26Å
112	A	98.6	Very high	98.2	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.1	-44.5	176.2	0	0	0	0	0	111.9	T108 N109 A115 K116 R117 I120	T108-A112 PolarHBondContact O-N 3.38Å; N109-A112 PolarHBondContact O-N 3.4Å; A112-A115 CarbonylContact O-C 3.33Å; A112-A115 PolarHBondContact O-N 3.03Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A112-K116 PolarHBondContact O-N 3.2Å; A112-R117 CarbonylContact C-O 3.42Å; A112-R117 PolarHBondContact O-N 2.89Å; A112-I120 HydrophobicContact CB-CG2 4Å
113	I	98.4	Very high	98.2	Very high	95 Å²	95	78.4 Å²	78.4	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-42.3	177.3	-68.7	167.4	0	0	0	110.8	N109 L110 A115 K116 R117	N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.15Å; N109-I113 PolarHBondContact O-N 3.32Å; L110-I113 PolarHBondContact O-N 3.34Å; I113-A115 PolarHBondContact O-N 3.4Å; I113-K116 WeakPolarHBondContact O-CA 3.3Å; I113-K116 PolarHBondContact O-N 3.37Å; I113-R117 PolarHBondContact N-O 3.1Å
114	H	98.2	Very high	98.2	Very high	165 Å²	165	77.8 Å²	77.8	76%	0.764	40%	0.4	S	S	*	.	H	α-helix	trans	-56.7	-37.7	175.1	-177.4	76.7	0	0	0	111.6	L110 C111 K116	L110-H114 WeakPolarHBondContact O-CB 3.43Å; L110-H114 PolarHBondContact O-N 3.35Å; C111-H114 PolarHBondContact O-N 3.03Å; H114-K116 PolarHBondContact O-N 3.29Å
115	A	98.2	Very high	98.2	Very high	47 Å²	47	79.7 Å²	79.7	39%	0.388	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	17.7	174.3	0	0	0	0	0	114.5	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.41Å; C111-A115 VanDerWaalsContact O-N 3.16Å; A112-A115 CarbonylContact O-C 3.33Å; A112-A115 PolarHBondContact O-N 3.03Å; A112-A115 VanDerWaalsContact O-N 3.17Å; I113-A115 PolarHBondContact O-N 3.4Å; A115-R117 VanDerWaalsContact C-N 3.27Å; A115-R117 VanDerWaalsContact CB-NH2 3.26Å; A115-R117 PolarHBondContact O-N 2.92Å
116	K	98.3	Very high	98.1	Very high	205 Å²	205	79.8 Å²	79.8	89%	0.891	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	31	179.7	-55.1	178.8	-179.1	177.5	0	114.4	A112 I113 H114	A112-K116 PolarHBondContact O-N 3.2Å; I113-K116 WeakPolarHBondContact O-CA 3.3Å; I113-K116 PolarHBondContact O-N 3.37Å; H114-K116 PolarHBondContact O-N 3.29Å
117	R	98.4	Very high	98	Very high	50 Å²	50	78 Å²	78	19%	0.189	41%	0.405	C	S	.	.			trans	-117.1	158.1	176.6	-71.4	176.3	-70.5	108.4	-1.9	111.1	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.42Å; A112-R117 PolarHBondContact O-N 2.89Å; I113-R117 PolarHBondContact N-O 3.1Å; A115-R117 VanDerWaalsContact C-N 3.27Å; A115-R117 VanDerWaalsContact CB-NH2 3.26Å; A115-R117 PolarHBondContact O-N 2.92Å; R117-T119 PolarHBondContact NH1-O 2.91Å; R117-K123 VanDerWaalsContact NH2-CE 3.29Å; R117-D124 IonicContact CZ-OD1 3.55Å; R117-D124 IonicContact CZ-OD2 3.69Å; R117-D124 IonicContact NH1-OD1 2.75Å; R117-D124 IonicContact NH1-OD2 2.69Å; R117-D124 PolarHBondContact NH1-OD2 3.32Å; R117-D124 IonicContact NH2-OD1 3.42Å; R117-D124 PolarHBondContact NH2-OD1 3.18Å; R117-D124 IonicContact NH2-OD2 3.59Å; R117-D124 PolarHBondContact NH2-OD2 3.39Å
118	V	97.5	Very high	98	Very high	134 Å²	134	75.7 Å²	75.7	81%	0.812	39%	0.394	S	S	*	.	S	Bend	trans	-105.1	-23.5	171.6	-175.1	0	0	0	0	111.4
119	T	98.2	Very high	97.9	Very high	102 Å²	102	80.5 Å²	80.5	63%	0.626	41%	0.412	S	S	*	.	S	Bend	trans	-91.4	120.8	178.1	-51.1	0	0	0	0	110.1	R117	R117-T119 PolarHBondContact NH1-O 2.91Å
120	I	98.3	Very high	97.8	Very high	67 Å²	67	84.2 Å²	84.2	34%	0.344	42%	0.42	S	S	.	.			trans	-68.1	146.2	172.4	60	167.2	0	0	0	111.1	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.79Å; F105-I120 HydrophobicContact CE1-CD1 3.87Å; T108-I120 HydrophobicContact CG2-CB 3.83Å; T108-I120 HydrophobicContact CG2-CD1 4.38Å; T108-I120 HydrophobicContact CG2-CG2 3.85Å; N109-I120 HydrophobicContact CB-CG2 4.44Å; A112-I120 HydrophobicContact CB-CG2 4Å
121	M	98.4	Very high	97.7	Very high	76 Å²	76	85 Å²	85	37%	0.374	42%	0.424	S	S	.	.			trans	-132.9	161.6	-178.4	-66.1	-179.3	176.5	0	0	110.5	K123 D124 I125	M121-K123 HydrophobicContact CB-CG 4.02Å; M121-K123 PolarHBondContact O-N 3.34Å; M121-K123 VanDerWaalsContact O-N 3.12Å; M121-D124 PolarHBondContact N-OD2 3.01Å; M121-D124 VanDerWaalsContact O-CB 3.31Å; M121-D124 WeakPolarHBondContact O-CB 3.48Å; M121-D124 PolarHBondContact O-N 3.31Å; M121-I125 PolarHBondContact O-N 2.94Å
122	P	98.1	Very high	97.6	Very high	94 Å²	94	88.1 Å²	88.1	61%	0.61	43%	0.433	S	S	*	.	H	α-helix	trans	-54.4	-34.4	177.8	-28.5	36.1	0	0	0	114.1	D124 I125 Q126	P122-D124 PolarHBondContact O-N 3.39Å; P122-I125 PolarHBondContact O-N 3.16Å; P122-Q126 VanDerWaalsContact O-CG 3.29Å; P122-Q126 WeakPolarHBondContact O-CG 3.29Å; P122-Q126 PolarHBondContact O-N 3.33Å
123	K	97.2	Very high	97.4	Very high	114 Å²	114	90.9 Å²	90.9	50%	0.496	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-29.9	175.5	66.7	-177.9	-178.3	-178.1	0	113.6	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.29Å; M121-K123 HydrophobicContact CB-CG 4.02Å; M121-K123 PolarHBondContact O-N 3.34Å; M121-K123 VanDerWaalsContact O-N 3.12Å; K123-L127 WeakPolarHBondContact O-CB 3.35Å; K123-L127 PolarHBondContact O-N 3.34Å
124	D	98.3	Very high	97	Very high	5 Å²	5	89.3 Å²	89.3	3%	0.027	45%	0.452	C	S	.	.	H	α-helix	trans	-72.7	-40.7	178.6	-56.3	-39.7	0	0	0	109.9	T108 C111 R117 M121 P122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.59Å; C111-D124 HydrophobicContact CB-CB 3.93Å; R117-D124 IonicContact CZ-OD1 3.55Å; R117-D124 IonicContact CZ-OD2 3.69Å; R117-D124 IonicContact NH1-OD1 2.75Å; R117-D124 IonicContact NH1-OD2 2.69Å; R117-D124 PolarHBondContact NH1-OD2 3.32Å; R117-D124 IonicContact NH2-OD1 3.42Å; R117-D124 PolarHBondContact NH2-OD1 3.18Å; R117-D124 IonicContact NH2-OD2 3.59Å; R117-D124 PolarHBondContact NH2-OD2 3.39Å; M121-D124 PolarHBondContact N-OD2 3.01Å; M121-D124 VanDerWaalsContact O-CB 3.31Å; M121-D124 WeakPolarHBondContact O-CB 3.48Å; M121-D124 PolarHBondContact O-N 3.31Å; P122-D124 PolarHBondContact O-N 3.39Å; D124-L127 PolarHBondContact O-N 3.43Å; D124-A128 WeakPolarHBondContact O-CB 3.29Å; D124-A128 PolarHBondContact O-N 3.46Å
125	I	97.6	Very high	95.7	Very high	55 Å²	55	87.5 Å²	87.5	28%	0.282	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-45.5	174.6	-60.9	175.7	0	0	0	110.1	L104 T108 M121 P122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.16Å; T108-I125 HydrophobicContact CG2-CB 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.52Å; M121-I125 PolarHBondContact O-N 2.94Å; P122-I125 PolarHBondContact O-N 3.16Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.07Å; I125-A128 PolarHBondContact O-N 2.64Å; I125-R129 HydrophobicContact CG2-CG 4.41Å; I125-R129 WeakPolarHBondContact O-CB 3.38Å; I125-R129 WeakPolarHBondContact O-CG 3.45Å; I125-R129 PolarHBondContact O-N 3.14Å
126	Q	96.8	Very high	93.6	Very high	103 Å²	103	93.1 Å²	93.1	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-61	-40.5	178.1	-71.4	170.9	5.4	0	0	111.8	P122 R130	P122-Q126 VanDerWaalsContact O-CG 3.29Å; P122-Q126 WeakPolarHBondContact O-CG 3.29Å; P122-Q126 PolarHBondContact O-N 3.33Å; Q126-R130 VanDerWaalsContact O-CB 3.29Å; Q126-R130 WeakPolarHBondContact O-CB 3.47Å; Q126-R130 PolarHBondContact O-N 3.31Å
127	L	96.6	Very high	93.3	Very high	77 Å²	77	87.6 Å²	87.6	40%	0.403	47%	0.465	S	S	.	.	H	α-helix	trans	-66.2	-48	176	-180	60	0	0	0	111.5	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.26Å; K123-L127 WeakPolarHBondContact O-CB 3.35Å; K123-L127 PolarHBondContact O-N 3.34Å; D124-L127 PolarHBondContact O-N 3.43Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.07Å; L127-R129 PolarHBondContact O-N 3.39Å; L127-R130 WeakPolarHBondContact O-CB 3.3Å; L127-R130 PolarHBondContact O-N 3.1Å; L127-R130 VanDerWaalsContact O-N 3.13Å; L127-I131 HydrophobicContact CD1-CD1 3.97Å; L127-I131 HydrophobicContact CD1-CG1 4.27Å; L127-I131 HydrophobicContact CG-CD1 4Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 2.98Å
128	A	97.2	Very high	93.1	Very high	3 Å²	3	89.5 Å²	89.5	3%	0.025	48%	0.48	C	S	.	.	H	α-helix	trans	-56.7	-50.7	177.2	0	0	0	0	0	111.5	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.03Å; D107-A128 HydrophobicContact CB-CB 3.85Å; D124-A128 WeakPolarHBondContact O-CB 3.29Å; D124-A128 PolarHBondContact O-N 3.46Å; I125-A128 PolarHBondContact O-N 2.64Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 2.65Å; A128-I131 PolarHBondContact O-N 2.94Å; A128-R132 WeakPolarHBondContact O-CG 3.45Å; A128-R132 PolarHBondContact O-N 3.4Å
129	R	96.9	Very high	92.8	Very high	102 Å²	102	87.1 Å²	87.1	39%	0.385	46%	0.461	S	S	.	.	H	α-helix	trans	-60.6	-36.4	176.2	-71	-173.8	63.2	-155.1	-7.7	113	L104 I125 L127 R132 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.82Å; L104-R129 HydrophobicContact CD2-CG 4.39Å; I125-R129 HydrophobicContact CG2-CG 4.41Å; I125-R129 WeakPolarHBondContact O-CB 3.38Å; I125-R129 WeakPolarHBondContact O-CG 3.45Å; I125-R129 PolarHBondContact O-N 3.14Å; L127-R129 PolarHBondContact O-N 3.39Å; R129-R132 PolarHBondContact O-N 3.32Å; R129-G133 PolarHBondContact O-N 2.78Å; R129-E134 HydrophobicContact CB-CB 4.47Å; R129-E134 PolarHBondContact NH2-O 3.29Å; R129-E134 PolarHBondContact O-N 3.05Å
130	R	96.4	Very high	92.5	Very high	147 Å²	147	86.2 Å²	86.2	56%	0.555	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-44.1	176.7	178.2	55.9	178.1	151.3	-3.9	111.4	Q126 L127 A128 G133	Q126-R130 VanDerWaalsContact O-CB 3.29Å; Q126-R130 WeakPolarHBondContact O-CB 3.47Å; Q126-R130 PolarHBondContact O-N 3.31Å; L127-R130 WeakPolarHBondContact O-CB 3.3Å; L127-R130 PolarHBondContact O-N 3.1Å; L127-R130 VanDerWaalsContact O-N 3.13Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 2.65Å; R130-G133 PolarHBondContact O-N 3.23Å
131	I	95.8	Very high	92.1	Very high	127 Å²	127	87.4 Å²	87.4	65%	0.651	46%	0.459	S	S	*	.	H	α-helix	trans	-67.8	-38.4	179.5	-66.4	168.6	0	0	0	110.7	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 3.97Å; L127-I131 HydrophobicContact CD1-CG1 4.27Å; L127-I131 HydrophobicContact CG-CD1 4Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 2.98Å; A128-I131 PolarHBondContact O-N 2.94Å; I131-G133 PolarHBondContact O-N 3.28Å
132	R	95.6	Very high	91.7	Very high	82 Å²	82	88.1 Å²	88.1	31%	0.309	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.3	175	-69.8	-175.7	178.9	-162.7	-8	114.7	G103 D107 A128 R129 E134	G103-R132 PolarHBondContact O-NH2 3.15Å; D107-R132 VanDerWaalsContact CG-NH2 3.26Å; D107-R132 IonicContact OD1-NH2 2.67Å; D107-R132 IonicContact OD2-CZ 3.12Å; D107-R132 IonicContact OD2-NE 3.86Å; D107-R132 PolarHBondContact OD2-NE 3.43Å; D107-R132 IonicContact OD2-NH2 3.56Å; D107-R132 PolarHBondContact OD2-NH2 3.29Å; A128-R132 WeakPolarHBondContact O-CG 3.45Å; A128-R132 PolarHBondContact O-N 3.4Å; R129-R132 PolarHBondContact O-N 3.32Å; R132-E134 VanDerWaalsContact C-N 3.31Å; R132-E134 HydrophobicContact CB-CG 3.83Å; R132-E134 WeakPolarHBondContact CD-OE1 3.43Å; R132-E134 IonicContact NH1-OE1 2.71Å
133	G	94.4	Very high	91.3	Very high	58 Å²	58	87.7 Å²	87.7	60%	0.598	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	14	-174.4	0	0	0	0	0	114.3	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 2.78Å; R130-G133 PolarHBondContact O-N 3.23Å; I131-G133 PolarHBondContact O-N 3.28Å; G133-R135 PolarHBondContact O-N 3.3Å
134	E	90	Very high	90.8	Very high	62 Å²	62	85.7 Å²	85.7	29%	0.29	45%	0.451	S	S	.	.			trans	-87	11.4	-178.7	-62.6	171.8	-174.1	0	0	113.3	Y100 R129 R132	Y100-E134 WeakPolarHBondContact CE2-OE1 3.32Å; Y100-E134 PolarHBondContact OH-OE2 3.41Å; R129-E134 HydrophobicContact CB-CB 4.47Å; R129-E134 PolarHBondContact NH2-O 3.29Å; R129-E134 PolarHBondContact O-N 3.05Å; R132-E134 VanDerWaalsContact C-N 3.31Å; R132-E134 HydrophobicContact CB-CG 3.83Å; R132-E134 WeakPolarHBondContact CD-OE1 3.43Å; R132-E134 IonicContact NH1-OE1 2.71Å
135	R	71.8	Confident	90.2	Very high	127 Å²	127	92.4 Å²	92.4	48%	0.479	49%	0.486	S	S	.	.			trans	-88.3	112	176.5	-125.6	177.5	178.8	169.3	3.9	108.3	G133	G133-R135 PolarHBondContact O-N 3.3Å
136	A	53.4	Low	89.5	Confident	166 Å²	166	95.8 Å²	95.8	100%	1.372	50%	0.504	S	S	*	.			trans	-65.3	0	145.3	0	0	0	0	0	108.8

Retrieved 136 of 136 residues in 287.7 ms (Link to these results)

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