C4QJB5_SCHMA Loading...

Histone H3

AlphaFold DB , UniProt , Accession C4QJB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 aa.

						>C4QJB5_SCHMA|C4QJB5
MARTKQTARKSTGGKAPRKQLATKAARKSAPSTGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSAAVGALQEASEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
					

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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	46.4	Very low	63.3	Low	251 Å²	251	173.9 Å²	173.9	100%	1.236	89%	0.89	S	S	*	*				0	115.8	0	-82.4	178.1	175.5	0	0	109
2	A	57.4	Low	63.2	Low	100 Å²	100	169.8 Å²	169.8	83%	0.826	88%	0.879	S	S	*	*			trans	-106	116.3	173.6	0	0	0	0	0	108.8	T4	A2-T4 PolarHBondContact O-N 3.41Å
3	R	63.1	Low	62.3	Low	258 Å²	258	163.5 Å²	163.5	97%	0.974	88%	0.882	S	S	*	*			trans	-75.3	111.9	-179.9	-112.7	180	175.6	178.6	-0.9	109.5
4	T	71.9	Confident	62.2	Low	129 Å²	129	156.5 Å²	156.5	79%	0.791	87%	0.867	S	S	*	*			trans	-74.4	120	168.1	39	0	0	0	0	109.6	A2 Q6	A2-T4 PolarHBondContact O-N 3.41Å; T4-Q6 PolarHBondContact O-N 3.07Å; T4-Q6 VanDerWaalsContact O-N 3.1Å
5	K	74	Confident	62	Low	203 Å²	203	159.9 Å²	159.9	88%	0.883	87%	0.87	S	S	*	*			trans	-79.5	90.3	174.5	-146.5	176.1	-171.3	178.9	0	108	T7	K5-T7 PolarHBondContact O-N 3.23Å
6	Q	69.3	Low	61.9	Low	186 Å²	186	155.6 Å²	155.6	87%	0.869	86%	0.862	S	S	*	*			trans	-65.4	110.6	166.9	-90.8	-174.3	-7.7	0	0	108.7	T4	T4-Q6 PolarHBondContact O-N 3.07Å; T4-Q6 VanDerWaalsContact O-N 3.1Å
7	T	65.9	Low	62.1	Low	126 Å²	126	154.2 Å²	154.2	77%	0.773	86%	0.862	S	S	*	*			trans	-82	114.8	165.2	52.4	0	0	0	0	108.8	K5 R9	K5-T7 PolarHBondContact O-N 3.23Å; T7-R9 PolarHBondContact O-N 3.45Å; T7-R9 VanDerWaalsContact O-N 3.16Å
8	A	64.6	Low	61.9	Low	99 Å²	99	159.6 Å²	159.6	82%	0.818	87%	0.866	S	S	*	*			trans	-60.5	112.4	173.1	0	0	0	0	0	110.5
9	R	63.7	Low	61.4	Low	244 Å²	244	162.2 Å²	162.2	92%	0.921	87%	0.869	S	S	*	*			trans	-80.5	117.1	166.8	-112.2	179.6	170.1	-178.9	-1.9	108.1	T7 S11	T7-R9 PolarHBondContact O-N 3.45Å; T7-R9 VanDerWaalsContact O-N 3.16Å; R9-S11 PolarHBondContact O-N 3.36Å
10	K	57.8	Low	61.1	Low	196 Å²	196	163.3 Å²	163.3	85%	0.852	87%	0.868	S	S	*	*			trans	-56.8	132.7	173	-72.3	-176.9	178.2	-178.4	0	110	T12	K10-T12 VanDerWaalsContact C-N 3.28Å; K10-T12 PolarHBondContact O-N 3.34Å
11	S	62.7	Low	60.7	Low	121 Å²	121	163.8 Å²	163.8	85%	0.846	87%	0.87	S	S	*	*	S	Bend	trans	-79.1	5.9	-169.3	43.8	0	0	0	0	115.4	R9	R9-S11 PolarHBondContact O-N 3.36Å
12	T	61.4	Low	61.2	Low	124 Å²	124	156.4 Å²	156.4	76%	0.761	85%	0.849	S	S	*	*			trans	-122.7	75.5	-179.7	43.4	0	0	0	0	110.8	K10 G14	K10-T12 VanDerWaalsContact C-N 3.28Å; K10-T12 PolarHBondContact O-N 3.34Å; T12-G14 PolarHBondContact O-N 3.18Å; T12-G14 VanDerWaalsContact O-N 3.07Å
13	G	51.7	Low	61.2	Low	89 Å²	89	158 Å²	158	92%	0.918	85%	0.849	S	S	*	*			trans	-79.8	54.5	169.8	0	0	0	0	0	112.4
14	G	61	Low	61	Low	65 Å²	65	155 Å²	155	67%	0.67	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-93.8	124	166.3	0	0	0	0	0	108.7	T12 A16	T12-G14 PolarHBondContact O-N 3.18Å; T12-G14 VanDerWaalsContact O-N 3.07Å; G14-A16 PolarHBondContact O-N 3.29Å
15	K	59	Low	60.4	Low	208 Å²	208	153.8 Å²	153.8	90%	0.904	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-50.7	133	-176.6	-76.3	-173.2	172.5	-172.9	0	111.6
16	A	61.4	Low	59.6	Low	91 Å²	91	148 Å²	148	75%	0.752	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-57.3	134.7	172.1	0	0	0	0	0	110.9	G14 R18	G14-A16 PolarHBondContact O-N 3.29Å; A16-R18 PolarHBondContact O-N 2.86Å
17	P	64.2	Low	59.1	Low	132 Å²	132	150 Å²	150	86%	0.857	84%	0.835	S	S	*	*			trans	-76.3	115.4	176.2	29	-29.4	0	0	0	109.1
18	R	59.3	Low	58.7	Low	250 Å²	250	154.1 Å²	154.1	94%	0.943	84%	0.842	S	S	*	*			trans	-98.3	127.3	171.1	-135.2	176.8	-174.4	-178.1	0.4	109.1	A16	A16-R18 PolarHBondContact O-N 2.86Å
19	K	52.9	Low	58.3	Low	209 Å²	209	154.1 Å²	154.1	91%	0.909	84%	0.837	S	S	*	*			trans	-50.5	150.4	-178.2	-89.1	176.8	169.8	179	0	113.9
20	Q	53.8	Low	58.1	Low	185 Å²	185	145.4 Å²	145.4	86%	0.864	82%	0.817	S	S	*	*			trans	-33.4	133.3	179.1	-65.1	164.7	-11.1	0	0	117.7
21	L	53.8	Low	58.1	Low	174 Å²	174	140.7 Å²	140.7	91%	0.911	81%	0.806	S	S	*	*			trans	-166.1	129.8	136.1	-100.5	136.3	0	0	0	107.5
22	A	57.4	Low	58.1	Low	95 Å²	95	140.8 Å²	140.8	79%	0.785	81%	0.807	S	S	*	*			trans	-54.6	138.8	-173	0	0	0	0	0	112.8
23	T	56.9	Low	57.9	Low	134 Å²	134	141 Å²	141	82%	0.822	81%	0.808	S	S	*	*			trans	-177.1	127.7	143.8	23.5	0	0	0	0	109.4
24	K	57.7	Low	58.4	Low	196 Å²	196	139 Å²	139	85%	0.852	79%	0.787	S	S	*	*			trans	31.9	126.8	158.5	-76.2	173.8	174.2	174.2	0	117.4	A26	K24-A26 PolarHBondContact O-N 3.06Å
25	A	60.8	Low	58.7	Low	102 Å²	102	139.6 Å²	139.6	84%	0.843	79%	0.794	S	S	*	*			trans	-57	81	158.3	0	0	0	0	0	110.4	R27	A25-R27 PolarHBondContact O-N 3.44Å
26	A	56.2	Low	59.2	Low	82 Å²	82	134.8 Å²	134.8	68%	0.678	78%	0.781	S	S	*	*			trans	-72.4	81.3	166.1	0	0	0	0	0	105.8	K24 K28	K24-A26 PolarHBondContact O-N 3.06Å; A26-K28 PolarHBondContact O-N 3.02Å
27	R	58.1	Low	59.8	Low	227 Å²	227	139.9 Å²	139.9	86%	0.857	79%	0.787	S	S	*	*			trans	-49.9	115.8	161.4	-73	-179.1	176.3	176.3	-0.2	105.8	A25 S29	A25-R27 PolarHBondContact O-N 3.44Å; R27-S29 VanDerWaalsContact C-N 3.26Å; R27-S29 PolarHBondContact O-N 3.47Å
28	K	57.9	Low	60.6	Low	213 Å²	213	143.1 Å²	143.1	93%	0.926	79%	0.787	S	S	*	*			trans	-23.8	81.2	177.5	-74.7	173.3	174	171	0	113	A26	A26-K28 PolarHBondContact O-N 3.02Å
29	S	56	Low	61.9	Low	100 Å²	100	136.5 Å²	136.5	70%	0.699	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-80.6	131.2	154	42	0	0	0	0	104.9	R27	R27-S29 VanDerWaalsContact C-N 3.26Å; R27-S29 PolarHBondContact O-N 3.47Å
30	A	59.7	Low	63.7	Low	61 Å²	61	133.7 Å²	133.7	50%	0.504	77%	0.766	S	S	.	*	P	Polyproline II helix	trans	-51.7	145.1	-179.1	0	0	0	0	0	110	S32	A30-S32 PolarHBondContact O-N 3.46Å; A30-S32 VanDerWaalsContact O-N 3.16Å
31	P	57.7	Low	65.5	Low	96 Å²	96	135.6 Å²	135.6	62%	0.623	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-51.1	126.9	172.1	23.2	-32.8	0	0	0	108.4	T33	P31-T33 PolarHBondContact O-N 2.93Å
32	S	62	Low	67.4	Low	123 Å²	123	132.9 Å²	132.9	86%	0.86	74%	0.744	S	S	*	*	S	Bend	trans	-67.7	1.2	-174.9	68.2	0	0	0	0	113.4	A30	A30-S32 PolarHBondContact O-N 3.46Å; A30-S32 VanDerWaalsContact O-N 3.16Å
33	T	58.5	Low	69.2	Low	130 Å²	130	138 Å²	138	80%	0.798	74%	0.743	S	S	*	*	S	Bend	trans	-148.5	75.8	-176.5	45.9	0	0	0	0	109.2	P31	P31-T33 PolarHBondContact O-N 2.93Å
34	G	62.3	Low	71.1	Confident	45 Å²	45	137.9 Å²	137.9	46%	0.464	75%	0.745	S	S	.	*	S	Bend	trans	166.7	120	175.6	0	0	0	0	0	110.5	V36	G34-V36 PolarHBondContact O-N 3.46Å
35	G	65.9	Low	72.9	Confident	79 Å²	79	130.5 Å²	130.5	81%	0.814	72%	0.724	S	S	*	*			trans	-35.8	117.9	-169.5	0	0	0	0	0	113.7	K37	G35-K37 PolarHBondContact O-N 2.95Å
36	V	69.7	Low	74.7	Confident	107 Å²	107	128.5 Å²	128.5	65%	0.648	70%	0.701	S	S	*	*			trans	-53.2	117.2	173	179.8	0	0	0	0	107	G34 K38	G34-V36 PolarHBondContact O-N 3.46Å; V36-K38 PolarHBondContact O-N 3.29Å; V36-K38 VanDerWaalsContact O-N 3.08Å
37	K	75.1	Confident	76.7	Confident	198 Å²	198	126.9 Å²	126.9	86%	0.861	68%	0.683	S	S	*	*			trans	-49.5	124.6	170.7	-77.5	-170.6	176.2	-173.9	0	107	G35 P39	G35-K37 PolarHBondContact O-N 2.95Å; K37-P39 WeakPolarHBondContact O-CD 3.47Å
38	K	81.6	Confident	78.5	Confident	199 Å²	199	118.3 Å²	118.3	87%	0.865	66%	0.661	S	S	*	*			trans	-43.7	121.4	-179.1	-71.9	-174.9	179.5	-179.2	0	108.5	V36 H40	V36-K38 PolarHBondContact O-N 3.29Å; V36-K38 VanDerWaalsContact O-N 3.08Å; K38-H40 PolarHBondContact O-N 3.4Å
39	P	86.4	Confident	80.4	Confident	111 Å²	111	112.9 Å²	112.9	72%	0.721	64%	0.641	S	S	*	*			trans	-52.1	132.2	179	-27.7	34.5	0	0	0	109.8	K37 R41	K37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-R41 PolarHBondContact O-N 3.12Å
40	H	89.1	Confident	82.4	Confident	150 Å²	150	113.5 Å²	113.5	69%	0.694	63%	0.628	S	S	*	*			trans	-62.3	122.4	177.8	172.4	-82.8	0	0	0	109.3	K38 Y42	K38-H40 PolarHBondContact O-N 3.4Å; H40-Y42 AromaticContact CE1-CD1 3.84Å; H40-Y42 AromaticContact CE1-CE1 3.74Å; H40-Y42 AromaticContact CE1-CZ 3.91Å
41	R	92.2	Very high	84.2	Confident	226 Å²	226	115 Å²	115	85%	0.853	63%	0.625	S	S	*	*			trans	-118.6	126.1	176.1	-169.6	175.4	179.6	176.7	0.8	109.6	P39	P39-R41 PolarHBondContact O-N 3.12Å
42	Y	94.1	Very high	86.2	Confident	117 Å²	117	114.5 Å²	114.5	46%	0.459	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-63.9	146.2	170.9	-69.6	-75.8	0	0	0	110.5	H40 T46 V47	H40-Y42 AromaticContact CE1-CD1 3.84Å; H40-Y42 AromaticContact CE1-CE1 3.74Å; H40-Y42 AromaticContact CE1-CZ 3.91Å; Y42-T46 HydrophobicContact CD1-CG2 3.74Å; Y42-T46 HydrophobicContact CG-CG2 4.37Å; Y42-V47 HydrophobicContact CD2-CG2 3.93Å; Y42-V47 HydrophobicContact CG-CG2 3.97Å
43	R	95.4	Very high	87.9	Confident	203 Å²	203	116.7 Å²	116.7	77%	0.766	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-63.8	145.8	173.1	-62.3	179	74.7	-171.2	3.1	109.6	G45 T46	R43-G45 PolarHBondContact O-N 2.67Å; R43-T46 VanDerWaalsContact O-CB 3.22Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 2.96Å; R43-T46 PolarHBondContact O-OG1 3.15Å; R43-T46 VanDerWaalsContact O-OG1 3.05Å
44	P	96.5	Very high	89.8	Confident	131 Å²	131	117.5 Å²	117.5	85%	0.851	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.1	139.3	171.3	-26	34.8	0	0	0	110.9	T46	P44-T46 VanDerWaalsContact C-N 3.28Å; P44-T46 PolarHBondContact O-N 3.48Å
45	G	96.4	Very high	91.4	Very high	41 Å²	41	120 Å²	120	42%	0.423	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.1	-23.5	-174.4	0	0	0	0	0	115.5	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 2.67Å; G45-V47 PolarHBondContact O-N 3.36Å; G45-A48 PolarHBondContact O-N 3.47Å; G45-L49 WeakPolarHBondContact O-CB 3.4Å; G45-L49 WeakPolarHBondContact O-CG 3.36Å; G45-L49 PolarHBondContact O-N 3.32Å
46	T	97.8	Very high	92.9	Very high	59 Å²	59	123.4 Å²	123.4	36%	0.362	59%	0.585	S	S	.	*	H	α-helix	trans	-65.3	-43.4	-179.9	-57.9	0	0	0	0	111.9	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.74Å; Y42-T46 HydrophobicContact CG-CG2 4.37Å; R43-T46 VanDerWaalsContact O-CB 3.22Å; R43-T46 WeakPolarHBondContact O-CB 3.48Å; R43-T46 PolarHBondContact O-N 2.96Å; R43-T46 PolarHBondContact O-OG1 3.15Å; R43-T46 VanDerWaalsContact O-OG1 3.05Å; P44-T46 VanDerWaalsContact C-N 3.28Å; P44-T46 PolarHBondContact O-N 3.48Å; T46-R50 PolarHBondContact O-N 3Å
47	V	97.5	Very high	94.3	Very high	49 Å²	49	127.1 Å²	127.1	30%	0.297	59%	0.592	S	S	.	*	H	α-helix	trans	-70.9	-42.4	178.2	-176.9	0	0	0	0	110.5	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.93Å; Y42-V47 HydrophobicContact CG-CG2 3.97Å; G45-V47 PolarHBondContact O-N 3.36Å; V47-L49 PolarHBondContact O-N 3.09Å; V47-R50 WeakPolarHBondContact O-CB 3.44Å; V47-R50 PolarHBondContact O-N 2.99Å; V47-R50 VanDerWaalsContact O-N 3.11Å; V47-E51 HydrophobicContact CG1-CG 4.42Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.35Å; V47-E51 WeakPolarHBondContact O-CG 3.48Å; V47-E51 PolarHBondContact O-N 2.91Å
48	A	97.3	Very high	95.3	Very high	47 Å²	47	119.7 Å²	119.7	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-58.9	-46.8	178.1	0	0	0	0	0	112.2	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.47Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.33Å; A48-E51 PolarHBondContact O-N 3.15Å; A48-I52 VanDerWaalsContact O-CG1 3.29Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.22Å
49	L	97.8	Very high	96	Very high	99 Å²	99	117.2 Å²	117.2	52%	0.518	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-33	176.4	-72.7	173.1	0	0	0	112.9	G45 V47 R53	G45-L49 WeakPolarHBondContact O-CB 3.4Å; G45-L49 WeakPolarHBondContact O-CG 3.36Å; G45-L49 PolarHBondContact O-N 3.32Å; V47-L49 PolarHBondContact O-N 3.09Å; L49-R53 VanDerWaalsContact O-CG 3.29Å; L49-R53 WeakPolarHBondContact O-CG 3.36Å; L49-R53 PolarHBondContact O-N 3.04Å; L49-R53 VanDerWaalsContact O-N 3.17Å
50	R	98	Very high	96.5	Very high	112 Å²	112	116.8 Å²	116.8	42%	0.423	56%	0.555	S	S	.	*	H	α-helix	trans	-69.8	-40.4	175.2	-179.9	173.9	59.4	-132.1	2.3	111.4	T46 V47 A48 R54	T46-R50 PolarHBondContact O-N 3Å; V47-R50 WeakPolarHBondContact O-CB 3.44Å; V47-R50 PolarHBondContact O-N 2.99Å; V47-R50 VanDerWaalsContact O-N 3.11Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.33Å; R50-R54 WeakPolarHBondContact O-CB 3.3Å; R50-R54 PolarHBondContact O-N 3.43Å
51	E	97.8	Very high	96.9	Very high	93 Å²	93	112.5 Å²	112.5	44%	0.435	54%	0.537	S	S	.	.	H	α-helix	trans	-65.6	-46.2	175.8	-73.2	170	-176.6	0	0	111.5	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.42Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.35Å; V47-E51 WeakPolarHBondContact O-CG 3.48Å; V47-E51 PolarHBondContact O-N 2.91Å; A48-E51 PolarHBondContact O-N 3.15Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R54 WeakPolarHBondContact O-CB 3.32Å; E51-R54 PolarHBondContact O-N 3.07Å; E51-Y55 HydrophobicContact CB-CD2 4.3Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 HydrophobicContact CG-CE2 4.49Å; E51-Y55 WeakPolarHBondContact O-CD2 3.43Å; E51-Y55 PolarHBondContact O-N 3.47Å
52	I	97.8	Very high	97.2	Very high	85 Å²	85	106.2 Å²	106.2	44%	0.436	52%	0.52	S	S	.	.	H	α-helix	trans	-54.4	-51.2	175.4	-68.5	164.1	0	0	0	110.5	A48 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.29Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.22Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.48Å; I52-Y55 PolarHBondContact O-N 3.22Å; I52-Q56 HydrophobicContact CG2-CG 4.37Å; I52-Q56 WeakPolarHBondContact O-CB 3.46Å; I52-Q56 VanDerWaalsContact O-CG 3.3Å; I52-Q56 WeakPolarHBondContact O-CG 3.23Å; I52-Q56 PolarHBondContact O-N 3.44Å
53	R	98	Very high	97.3	Very high	169 Å²	169	103.6 Å²	103.6	64%	0.638	51%	0.513	S	S	*	.	H	α-helix	trans	-64.2	-30.7	178.4	-70.4	175.3	-170.1	-174.6	2.7	113.5	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.29Å; L49-R53 WeakPolarHBondContact O-CG 3.36Å; L49-R53 PolarHBondContact O-N 3.04Å; L49-R53 VanDerWaalsContact O-N 3.17Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 3.35Å; R53-K57 VanDerWaalsContact O-CG 3.28Å; R53-K57 WeakPolarHBondContact O-CG 3.49Å
54	R	98.2	Very high	97.5	Very high	147 Å²	147	103.7 Å²	103.7	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-68.8	-54.2	176.5	176.5	-174.4	168	-173.8	-6	109.6	R50 E51 I52 Q56 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.3Å; R50-R54 PolarHBondContact O-N 3.43Å; E51-R54 WeakPolarHBondContact O-CB 3.32Å; E51-R54 PolarHBondContact O-N 3.07Å; I52-R54 VanDerWaalsContact C-N 3.27Å; I52-R54 PolarHBondContact O-N 3.48Å; R54-Q56 PolarHBondContact O-N 3.36Å; R54-K57 PolarHBondContact O-N 3.49Å; R54-K57 VanDerWaalsContact O-N 3.13Å; R54-S58 PolarHBondContact O-N 3.35Å; R54-S58 PolarHBondContact O-OG 2.95Å; R54-E60 IonicContact NH2-OE1 3.52Å
55	Y	97.9	Very high	97.4	Very high	99 Å²	99	104.7 Å²	104.7	39%	0.388	50%	0.504	S	S	.	.	H	α-helix	trans	-70.3	-31.2	-174.6	-62.6	-50.9	0	0	0	113	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.3Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 HydrophobicContact CG-CE2 4.49Å; E51-Y55 WeakPolarHBondContact O-CD2 3.43Å; E51-Y55 PolarHBondContact O-N 3.47Å; I52-Y55 PolarHBondContact O-N 3.22Å; Y55-K57 PolarHBondContact O-N 2.73Å; Y55-S58 WeakPolarHBondContact CA-OG 3.42Å; Y55-S58 PolarHBondContact O-N 2.85Å; Y55-S58 PolarHBondContact O-OG 2.8Å; Y55-L62 HydrophobicContact CD1-CD2 3.71Å; Y55-L62 HydrophobicContact CE1-CD2 3.86Å; Y55-L62 HydrophobicContact CG-CD2 4.46Å
56	Q	97.5	Very high	97.5	Very high	149 Å²	149	107.3 Å²	107.3	70%	0.696	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.8	171.9	-75.6	-179.1	-30.5	0	0	113.9	I52 R54	I52-Q56 HydrophobicContact CG2-CG 4.37Å; I52-Q56 WeakPolarHBondContact O-CB 3.46Å; I52-Q56 VanDerWaalsContact O-CG 3.3Å; I52-Q56 WeakPolarHBondContact O-CG 3.23Å; I52-Q56 PolarHBondContact O-N 3.44Å; R54-Q56 PolarHBondContact O-N 3.36Å
57	K	98	Very high	97.5	Very high	186 Å²	186	107.9 Å²	107.9	81%	0.809	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-18.8	178.2	-74.5	-179.4	179	-166.9	0	113.4	R53 R54 Y55	R53-K57 VanDerWaalsContact O-CG 3.28Å; R53-K57 WeakPolarHBondContact O-CG 3.49Å; R54-K57 PolarHBondContact O-N 3.49Å; R54-K57 VanDerWaalsContact O-N 3.13Å; Y55-K57 PolarHBondContact O-N 2.73Å
58	S	96.7	Very high	97.5	Very high	41 Å²	41	106.2 Å²	106.2	29%	0.287	50%	0.502	S	S	.	.			trans	-103	160.3	-178.4	59.9	0	0	0	0	111.2	R54 Y55	R54-S58 PolarHBondContact O-N 3.35Å; R54-S58 PolarHBondContact O-OG 2.95Å; Y55-S58 WeakPolarHBondContact CA-OG 3.42Å; Y55-S58 PolarHBondContact O-N 2.85Å; Y55-S58 PolarHBondContact O-OG 2.8Å
59	T	96.8	Very high	97.5	Very high	147 Å²	147	107.5 Å²	107.5	90%	0.902	50%	0.5	S	S	*	.			trans	-118.1	17.2	173.6	56	0	0	0	0	111.8
60	E	96.4	Very high	97.5	Very high	102 Å²	102	110.6 Å²	110.6	48%	0.477	51%	0.505	S	S	.	.			trans	-68.3	139.3	177.9	66.1	-176.9	172	0	0	111.1	R54 L62	R54-E60 IonicContact NH2-OE1 3.52Å; E60-L62 HydrophobicContact CG-CD2 4.19Å; E60-L62 PolarHBondContact O-N 2.94Å
61	L	97.2	Very high	97.5	Very high	60 Å²	60	109.2 Å²	109.2	31%	0.314	51%	0.505	S	S	.	.			trans	-67.8	129.6	171.8	-65.6	173.1	0	0	0	110	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CG 4.11Å; L61-Q94 HydrophobicContact CD2-CG 4.37Å; L61-E95 HydrophobicContact CD1-CG 4.45Å; L61-E95 HydrophobicContact CD2-CG 4.07Å; L61-E98 WeakPolarHBondContact CA-OE2 3.3Å; L61-E98 HydrophobicContact CD2-CG 4.48Å
62	L	97.6	Very high	97.5	Very high	94 Å²	94	105.7 Å²	105.7	49%	0.492	49%	0.49	S	S	.	.			trans	-92.3	-27	-172.7	-56.7	-178.1	0	0	0	112.4	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.71Å; Y55-L62 HydrophobicContact CE1-CD2 3.86Å; Y55-L62 HydrophobicContact CG-CD2 4.46Å; E60-L62 HydrophobicContact CG-CD2 4.19Å; E60-L62 PolarHBondContact O-N 2.94Å; L62-E98 PolarHBondContact N-OE1 3.49Å; L62-E98 PolarHBondContact N-OE2 3.22Å
63	I	97.7	Very high	97.4	Very high	63 Å²	63	106.1 Å²	106.1	32%	0.323	49%	0.486	S	S	.	.	S	Bend	trans	-80.5	134.9	176.2	-56	177.4	0	0	0	109	K65 F68 Q94 E98 L101	I63-K65 PolarHBondContact O-N 2.98Å; I63-F68 HydrophobicContact CG2-CB 3.95Å; I63-F68 HydrophobicContact CG2-CD2 4.22Å; I63-Q94 PolarHBondContact O-NE2 3.29Å; I63-E98 HydrophobicContact CB-CG 4.49Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.08Å; I63-E98 HydrophobicContact CD1-CG 3.74Å; I63-E98 HydrophobicContact CG1-CG 3.93Å; I63-E98 PolarHBondContact N-OE1 3.28Å; I63-L101 HydrophobicContact CD1-CD1 4.37Å
64	R	98	Very high	97.4	Very high	205 Å²	205	104.2 Å²	104.2	77%	0.774	48%	0.484	S	S	*	.			trans	-64.1	129	177.2	-66.2	-178.5	-179	-179.3	0.7	110.2	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.46Å; R64-P67 HydrophobicContact CB-CG 3.91Å; R64-P67 WeakPolarHBondContact O-CD 3.49Å; R64-F68 PolarHBondContact O-N 3.14Å; R64-F68 VanDerWaalsContact O-N 3.15Å
65	K	96.1	Very high	97.3	Very high	151 Å²	151	101.3 Å²	101.3	66%	0.657	48%	0.479	S	S	*	.	H	α-helix	trans	-54.9	-47	-175.4	-61	-165.7	175.9	-159.6	0	114.3	I63 F68 Q69	I63-K65 PolarHBondContact O-N 2.98Å; K65-F68 PolarHBondContact O-N 3.28Å; K65-Q69 WeakPolarHBondContact O-CB 3.44Å; K65-Q69 PolarHBondContact O-N 2.89Å
66	L	97.1	Very high	97.3	Very high	96 Å²	96	97.4 Å²	97.4	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-67.7	-48.6	-175.8	175.9	65.7	0	0	0	113.2	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.46Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.02Å; L66-Q69 PolarHBondContact O-N 3.35Å; L66-R70 WeakPolarHBondContact O-CG 3.38Å; L66-R70 PolarHBondContact O-N 3.4Å
67	P	98.2	Very high	97.2	Very high	72 Å²	72	94.8 Å²	94.8	47%	0.468	46%	0.455	S	S	.	.	H	α-helix	trans	-56.4	-43.8	171.1	-29.4	36.2	0	0	0	113.7	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.91Å; R64-P67 WeakPolarHBondContact O-CD 3.49Å; P67-Q69 PolarHBondContact O-N 3.2Å; P67-R70 PolarHBondContact O-N 3.38Å; P67-L71 PolarHBondContact O-N 3.03Å; P67-L71 VanDerWaalsContact O-N 3.07Å
68	F	98.2	Very high	97.2	Very high	14 Å²	14	92.5 Å²	92.5	6%	0.061	45%	0.451	C	S	.	.	H	α-helix	trans	-61.1	-45.7	177.6	-175.6	-95.5	0	0	0	111.7	I63 R64 K65 L66 R70 L71 V72 V90 L93 Q94	I63-F68 HydrophobicContact CG2-CB 3.95Å; I63-F68 HydrophobicContact CG2-CD2 4.22Å; R64-F68 PolarHBondContact O-N 3.14Å; R64-F68 VanDerWaalsContact O-N 3.15Å; K65-F68 PolarHBondContact O-N 3.28Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.02Å; F68-R70 VanDerWaalsContact C-N 3.3Å; F68-R70 PolarHBondContact O-N 3.33Å; F68-L71 PolarHBondContact O-N 3.33Å; F68-V72 HydrophobicContact CD1-CG2 3.93Å; F68-V72 HydrophobicContact CE1-CG2 3.46Å; F68-V72 VanDerWaalsContact CE1-CG2 3.46Å; F68-V72 HydrophobicContact CZ-CG2 3.79Å; F68-V72 WeakPolarHBondContact O-CG2 3.4Å; F68-V72 PolarHBondContact O-N 3.37Å; F68-V90 HydrophobicContact CD1-CG1 4.22Å; F68-V90 HydrophobicContact CE1-CG1 4.43Å; F68-L93 HydrophobicContact CE1-CB 4.03Å; F68-L93 HydrophobicContact CZ-CB 4.12Å; F68-Q94 HydrophobicContact CD1-CB 3.7Å; F68-Q94 HydrophobicContact CD1-CG 3.91Å; F68-Q94 HydrophobicContact CD2-CG 4.36Å; F68-Q94 VanDerWaalsContact CE1-CA 3.41Å; F68-Q94 HydrophobicContact CE1-CB 3.46Å; F68-Q94 VanDerWaalsContact CE1-CB 3.46Å; F68-Q94 HydrophobicContact CE1-CG 4.05Å; F68-Q94 HydrophobicContact CE2-CG 4.47Å; F68-Q94 HydrophobicContact CG-CB 4.37Å; F68-Q94 HydrophobicContact CG-CG 4.09Å; F68-Q94 VanDerWaalsContact CZ-CA 3.4Å; F68-Q94 HydrophobicContact CZ-CB 3.94Å; F68-Q94 HydrophobicContact CZ-CG 4.34Å
69	Q	97	Very high	97.2	Very high	73 Å²	73	98.8 Å²	98.8	34%	0.341	47%	0.474	S	S	.	.	H	α-helix	trans	-59.6	-38.8	176	180	-177.6	-37.9	0	0	112.7	K65 L66 P67 R73 V90	K65-Q69 WeakPolarHBondContact O-CB 3.44Å; K65-Q69 PolarHBondContact O-N 2.89Å; L66-Q69 PolarHBondContact O-N 3.35Å; P67-Q69 PolarHBondContact O-N 3.2Å; Q69-R73 WeakPolarHBondContact O-CG 3.18Å; Q69-R73 PolarHBondContact O-N 3.24Å; Q69-R73 VanDerWaalsContact O-N 3.14Å; Q69-V90 HydrophobicContact CB-CG1 4.08Å; Q69-V90 HydrophobicContact CG-CG1 4.28Å
70	R	97.6	Very high	97.1	Very high	165 Å²	165	98.3 Å²	98.3	62%	0.623	46%	0.459	S	S	*	.	H	α-helix	trans	-63.8	-46.1	176.6	-72.3	176	-178.1	-176.3	-1.3	110.9	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.38Å; L66-R70 PolarHBondContact O-N 3.4Å; P67-R70 PolarHBondContact O-N 3.38Å; F68-R70 VanDerWaalsContact C-N 3.3Å; F68-R70 PolarHBondContact O-N 3.33Å; R70-V72 PolarHBondContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 3.48Å; R70-E74 WeakPolarHBondContact O-CB 3.46Å; R70-E74 PolarHBondContact O-N 3.45Å
71	L	98	Very high	97	Very high	83 Å²	83	97.2 Å²	97.2	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-60.3	-44.7	176.7	179	64.2	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 3.03Å; P67-L71 VanDerWaalsContact O-N 3.07Å; F68-L71 PolarHBondContact O-N 3.33Å; L71-R73 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 2.95Å; L71-E74 WeakPolarHBondContact O-CB 3.29Å; L71-E74 PolarHBondContact O-N 3.45Å; L71-I75 HydrophobicContact CD1-CD1 3.9Å; L71-I75 HydrophobicContact CD1-CG1 4.21Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 WeakPolarHBondContact O-CG1 3.21Å; L71-I75 PolarHBondContact O-N 3.46Å
72	V	97.5	Very high	96.8	Very high	18 Å²	18	101.1 Å²	101.1	11%	0.109	48%	0.481	C	S	.	.	H	α-helix	trans	-58.4	-42.1	176.7	168.7	0	0	0	0	111.2	F68 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.93Å; F68-V72 HydrophobicContact CE1-CG2 3.46Å; F68-V72 VanDerWaalsContact CE1-CG2 3.46Å; F68-V72 HydrophobicContact CZ-CG2 3.79Å; F68-V72 WeakPolarHBondContact O-CG2 3.4Å; F68-V72 PolarHBondContact O-N 3.37Å; R70-V72 PolarHBondContact O-N 3.13Å; V72-A76 WeakPolarHBondContact O-CB 3.41Å; V72-A76 PolarHBondContact O-N 3.33Å; V72-F85 HydrophobicContact CG1-CD1 4.29Å; V72-F85 HydrophobicContact CG1-CE1 3.81Å; V72-F85 HydrophobicContact CG1-CZ 4.05Å; V72-L93 HydrophobicContact CG1-CD1 3.6Å; V72-L93 HydrophobicContact CG2-CD1 4.2Å
73	R	96.4	Very high	96.7	Very high	95 Å²	95	99.9 Å²	99.9	36%	0.358	47%	0.474	S	S	.	.	H	α-helix	trans	-71.2	-38.5	179.2	-71.4	176.8	-178.6	-78.7	0.5	112.5	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.18Å; Q69-R73 PolarHBondContact O-N 3.24Å; Q69-R73 VanDerWaalsContact O-N 3.14Å; R70-R73 PolarHBondContact O-N 3.48Å; L71-R73 VanDerWaalsContact C-N 3.27Å; L71-R73 PolarHBondContact O-N 2.95Å; R73-A76 PolarHBondContact O-N 3.5Å; R73-Q77 WeakPolarHBondContact O-CB 3.28Å; R73-Q77 PolarHBondContact O-N 3.33Å; R73-F85 HydrophobicContact CG-CD2 4.31Å; R73-F85 HydrophobicContact CG-CE2 4.39Å
74	E	96.8	Very high	96.6	Very high	129 Å²	129	108.4 Å²	108.4	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-57.9	-54.6	174.5	-176	-177.4	150.2	0	0	110.6	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.46Å; R70-E74 PolarHBondContact O-N 3.45Å; L71-E74 WeakPolarHBondContact O-CB 3.29Å; L71-E74 PolarHBondContact O-N 3.45Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.97Å; E74-Q77 WeakPolarHBondContact O-CB 3.37Å; E74-Q77 PolarHBondContact O-N 3.02Å
75	I	97.4	Very high	96.5	Very high	86 Å²	86	101.2 Å²	101.2	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-61.6	-42.1	178.9	-65.1	169.7	0	0	0	111.4	L71 Q77 D78 F79	L71-I75 HydrophobicContact CD1-CD1 3.9Å; L71-I75 HydrophobicContact CD1-CG1 4.21Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 WeakPolarHBondContact O-CG1 3.21Å; L71-I75 PolarHBondContact O-N 3.46Å; I75-Q77 VanDerWaalsContact C-N 3.29Å; I75-Q77 PolarHBondContact O-N 3.02Å; I75-D78 PolarHBondContact O-N 2.9Å; I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.43Å; I75-F79 WeakPolarHBondContact O-CE2 3.32Å
76	A	97.1	Very high	96.6	Very high	16 Å²	16	101.1 Å²	101.1	13%	0.132	48%	0.479	C	S	.	.	H	α-helix	trans	-66.3	-31.9	-178.6	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 WeakPolarHBondContact O-CB 3.41Å; V72-A76 PolarHBondContact O-N 3.33Å; R73-A76 PolarHBondContact O-N 3.5Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.97Å; A76-D78 PolarHBondContact O-N 3.06Å; A76-F79 PolarHBondContact O-N 2.9Å; A76-F79 VanDerWaalsContact O-N 3.15Å; A76-K80 PolarHBondContact O-N 3.28Å; A76-K80 VanDerWaalsContact O-N 3.09Å; A76-L83 HydrophobicContact CB-CD1 4.07Å; A76-F85 HydrophobicContact CB-CE2 3.86Å; A76-F85 HydrophobicContact CB-CZ 3.5Å; A76-F85 VanDerWaalsContact CB-CZ 3.5Å
77	Q	96.2	Very high	96.5	Very high	95 Å²	95	101.9 Å²	101.9	44%	0.444	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-31.9	178.8	-171.1	71.3	16	0	0	111.8	R73 E74 I75 F79	R73-Q77 WeakPolarHBondContact O-CB 3.28Å; R73-Q77 PolarHBondContact O-N 3.33Å; E74-Q77 WeakPolarHBondContact O-CB 3.37Å; E74-Q77 PolarHBondContact O-N 3.02Å; I75-Q77 VanDerWaalsContact C-N 3.29Å; I75-Q77 PolarHBondContact O-N 3.02Å; Q77-F79 PolarHBondContact O-N 3.37Å
78	D	96.7	Very high	96.4	Very high	137 Å²	137	101.7 Å²	101.7	73%	0.733	50%	0.497	S	S	*	.	H	α-helix	trans	-65.8	-24.6	177.4	-65.5	-21.3	0	0	0	112.8	I75 A76	I75-D78 PolarHBondContact O-N 2.9Å; A76-D78 PolarHBondContact O-N 3.06Å
79	F	96.3	Very high	96.4	Very high	173 Å²	173	102.8 Å²	102.8	76%	0.759	51%	0.508	S	S	*	.	H	α-helix	trans	-95.1	-40.8	178.8	-62.3	-82.6	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.95Å; I75-F79 WeakPolarHBondContact O-CD2 3.43Å; I75-F79 WeakPolarHBondContact O-CE2 3.32Å; A76-F79 PolarHBondContact O-N 2.9Å; A76-F79 VanDerWaalsContact O-N 3.15Å; Q77-F79 PolarHBondContact O-N 3.37Å
80	K	95.8	Very high	96.4	Very high	138 Å²	138	99.9 Å²	99.9	60%	0.6	50%	0.495	S	S	*	.			trans	-156.4	126.2	179.9	179.7	164.1	-179.5	165.1	0	110.7	A76 L83	A76-K80 PolarHBondContact O-N 3.28Å; A76-K80 VanDerWaalsContact O-N 3.09Å; K80-L83 HydrophobicContact CB-CD1 4Å; K80-L83 HydrophobicContact CB-CD2 4.35Å; K80-L83 HydrophobicContact CB-CG 4.07Å; K80-L83 HydrophobicContact CD-CD2 3.95Å; K80-L83 HydrophobicContact CG-CD2 4.05Å; K80-L83 HydrophobicContact CG-CG 4.09Å; K80-L83 WeakPolarHBondContact O-CG 3.42Å
81	T	94.4	Very high	96.4	Very high	79 Å²	79	93.2 Å²	93.2	49%	0.485	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	156	174.5	69	0	0	0	0	111.3	L83	T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.32Å
82	D	93	Very high	96.4	Very high	141 Å²	141	92 Å²	92	75%	0.754	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	24.7	171.3	-50.4	-58.6	0	0	0	115.6
83	L	94.9	Very high	96.4	Very high	69 Å²	69	94.7 Å²	94.7	36%	0.361	49%	0.493	S	S	.	.			trans	-69.3	132.5	173.5	-72.4	178.3	0	0	0	112.6	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.07Å; K80-L83 HydrophobicContact CB-CD1 4Å; K80-L83 HydrophobicContact CB-CD2 4.35Å; K80-L83 HydrophobicContact CB-CG 4.07Å; K80-L83 HydrophobicContact CD-CD2 3.95Å; K80-L83 HydrophobicContact CG-CD2 4.05Å; K80-L83 HydrophobicContact CG-CG 4.09Å; K80-L83 WeakPolarHBondContact O-CG 3.42Å; T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.32Å; L83-F85 HydrophobicContact CB-CE2 4.07Å
84	R	95.8	Very high	96.5	Very high	241 Å²	241	90.4 Å²	90.4	91%	0.909	48%	0.477	S	S	*	.			trans	-101.7	136.9	168.9	-58.8	-177.5	85.8	-172.3	6.5	109.4
85	F	96.3	Very high	96.5	Very high	54 Å²	54	90.2 Å²	90.2	24%	0.237	48%	0.476	C	S	.	.			trans	-109.7	133.3	178.2	-74.7	-96	0	0	0	110.1	V72 R73 A76 L83 V90 L93	V72-F85 HydrophobicContact CG1-CD1 4.29Å; V72-F85 HydrophobicContact CG1-CE1 3.81Å; V72-F85 HydrophobicContact CG1-CZ 4.05Å; R73-F85 HydrophobicContact CG-CD2 4.31Å; R73-F85 HydrophobicContact CG-CE2 4.39Å; A76-F85 HydrophobicContact CB-CE2 3.86Å; A76-F85 HydrophobicContact CB-CZ 3.5Å; A76-F85 VanDerWaalsContact CB-CZ 3.5Å; L83-F85 HydrophobicContact CB-CE2 4.07Å; F85-V90 HydrophobicContact CB-CG2 3.85Å; F85-V90 HydrophobicContact CD1-CG2 4.25Å; F85-V90 HydrophobicContact CG-CG2 4.28Å; F85-L93 HydrophobicContact CE1-CD1 4.45Å
86	Q	97.2	Very high	96.6	Very high	150 Å²	150	89.1 Å²	89.1	70%	0.701	48%	0.48	S	S	*	.			trans	-64.8	148.6	161.8	-67.6	-180	-20	0	0	109.6	A88 A89 V90	Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 PolarHBondContact O-N 2.89Å; Q86-A89 HydrophobicContact CB-CB 4.13Å; Q86-A89 WeakPolarHBondContact O-CB 3.18Å; Q86-A89 PolarHBondContact O-N 3.05Å; Q86-V90 PolarHBondContact O-N 3.12Å
87	S	95.1	Very high	96.6	Very high	112 Å²	112	90.4 Å²	90.4	78%	0.783	49%	0.488	S	S	*	.	H	α-helix	trans	-60.1	-40.7	175.1	52.9	0	0	0	0	111.7	A89 V90 G91	S87-A89 VanDerWaalsContact C-N 3.32Å; S87-A89 PolarHBondContact O-N 3.38Å; S87-V90 PolarHBondContact O-N 3.17Å; S87-G91 PolarHBondContact O-N 2.89Å; S87-G91 VanDerWaalsContact O-N 3.07Å
88	A	97.3	Very high	96.7	Very high	68 Å²	68	86.8 Å²	86.8	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-36.2	176	0	0	0	0	0	112.7	Q86 G91 A92	Q86-A88 VanDerWaalsContact C-N 3.28Å; Q86-A88 PolarHBondContact O-N 2.89Å; A88-G91 PolarHBondContact O-N 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.3Å; A88-A92 PolarHBondContact O-N 3.45Å
89	A	97.5	Very high	96.8	Very high	36 Å²	36	83.4 Å²	83.4	30%	0.298	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-43.1	178	0	0	0	0	0	111.8	Q86 S87 G91 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.13Å; Q86-A89 WeakPolarHBondContact O-CB 3.18Å; Q86-A89 PolarHBondContact O-N 3.05Å; S87-A89 VanDerWaalsContact C-N 3.32Å; S87-A89 PolarHBondContact O-N 3.38Å; A89-G91 VanDerWaalsContact C-N 3.33Å; A89-A92 PolarHBondContact O-N 3.22Å; A89-L93 WeakPolarHBondContact O-CG 3.29Å; A89-L93 PolarHBondContact O-N 3Å
90	V	96.9	Very high	96.8	Very high	13 Å²	13	79.6 Å²	79.6	8%	0.079	44%	0.443	C	S	.	.	H	α-helix	trans	-66.1	-38.3	175	-176.5	0	0	0	0	110.9	F68 Q69 F85 Q86 S87 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.22Å; F68-V90 HydrophobicContact CE1-CG1 4.43Å; Q69-V90 HydrophobicContact CB-CG1 4.08Å; Q69-V90 HydrophobicContact CG-CG1 4.28Å; F85-V90 HydrophobicContact CB-CG2 3.85Å; F85-V90 HydrophobicContact CD1-CG2 4.25Å; F85-V90 HydrophobicContact CG-CG2 4.28Å; Q86-V90 PolarHBondContact O-N 3.12Å; S87-V90 PolarHBondContact O-N 3.17Å; V90-L93 PolarHBondContact O-N 3.36Å; V90-Q94 PolarHBondContact O-N 3.28Å
91	G	97.4	Very high	96.9	Very high	25 Å²	25	76.2 Å²	76.2	26%	0.258	43%	0.432	S	S	.	.	H	α-helix	trans	-60.3	-47.6	174.7	0	0	0	0	0	112.8	S87 A88 A89 L93 Q94 E95	S87-G91 PolarHBondContact O-N 2.89Å; S87-G91 VanDerWaalsContact O-N 3.07Å; A88-G91 PolarHBondContact O-N 3.28Å; A89-G91 VanDerWaalsContact C-N 3.33Å; G91-L93 PolarHBondContact O-N 3.39Å; G91-Q94 WeakPolarHBondContact O-CB 3.06Å; G91-Q94 PolarHBondContact O-N 2.89Å; G91-Q94 VanDerWaalsContact O-N 3.12Å; G91-E95 PolarHBondContact O-N 3.33Å
92	A	98.1	Very high	97.1	Very high	57 Å²	57	76 Å²	76	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177.9	0	0	0	0	0	112.3	A88 A89 Q94 E95 A96	A88-A92 WeakPolarHBondContact O-CB 3.3Å; A88-A92 PolarHBondContact O-N 3.45Å; A89-A92 PolarHBondContact O-N 3.22Å; A92-Q94 VanDerWaalsContact C-N 3.27Å; A92-Q94 PolarHBondContact O-N 2.55Å; A92-E95 PolarHBondContact O-N 3.37Å; A92-A96 WeakPolarHBondContact O-CB 3.35Å; A92-A96 PolarHBondContact O-N 2.91Å
93	L	98.1	Very high	97.3	Very high	75 Å²	75	70.1 Å²	70.1	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-40.1	173.8	-72.6	170.8	0	0	0	111.4	F68 V72 F85 A89 V90 G91 S97	F68-L93 HydrophobicContact CE1-CB 4.03Å; F68-L93 HydrophobicContact CZ-CB 4.12Å; V72-L93 HydrophobicContact CG1-CD1 3.6Å; V72-L93 HydrophobicContact CG2-CD1 4.2Å; F85-L93 HydrophobicContact CE1-CD1 4.45Å; A89-L93 WeakPolarHBondContact O-CG 3.29Å; A89-L93 PolarHBondContact O-N 3Å; V90-L93 PolarHBondContact O-N 3.36Å; G91-L93 PolarHBondContact O-N 3.39Å; L93-S97 VanDerWaalsContact O-CB 3.23Å; L93-S97 WeakPolarHBondContact O-CB 3.48Å; L93-S97 PolarHBondContact O-N 2.69Å; L93-S97 PolarHBondContact O-OG 3.43Å
94	Q	98.1	Very high	97.4	Very high	5 Å²	5	67.5 Å²	67.5	2%	0.023	39%	0.389	C	S	.	.	H	α-helix	trans	-67.4	-49.1	179.8	-168.1	173.9	-15.3	0	0	111.7	L61 I63 F68 V90 G91 A92 A96 S97 E98	L61-Q94 HydrophobicContact CD1-CG 4.11Å; L61-Q94 HydrophobicContact CD2-CG 4.37Å; I63-Q94 PolarHBondContact O-NE2 3.29Å; F68-Q94 HydrophobicContact CD1-CB 3.7Å; F68-Q94 HydrophobicContact CD1-CG 3.91Å; F68-Q94 HydrophobicContact CD2-CG 4.36Å; F68-Q94 VanDerWaalsContact CE1-CA 3.41Å; F68-Q94 HydrophobicContact CE1-CB 3.46Å; F68-Q94 VanDerWaalsContact CE1-CB 3.46Å; F68-Q94 HydrophobicContact CE1-CG 4.05Å; F68-Q94 HydrophobicContact CE2-CG 4.47Å; F68-Q94 HydrophobicContact CG-CB 4.37Å; F68-Q94 HydrophobicContact CG-CG 4.09Å; F68-Q94 VanDerWaalsContact CZ-CA 3.4Å; F68-Q94 HydrophobicContact CZ-CB 3.94Å; F68-Q94 HydrophobicContact CZ-CG 4.34Å; V90-Q94 PolarHBondContact O-N 3.28Å; G91-Q94 WeakPolarHBondContact O-CB 3.06Å; G91-Q94 PolarHBondContact O-N 2.89Å; G91-Q94 VanDerWaalsContact O-N 3.12Å; A92-Q94 VanDerWaalsContact C-N 3.27Å; A92-Q94 PolarHBondContact O-N 2.55Å; Q94-A96 PolarHBondContact O-N 2.69Å; Q94-S97 PolarHBondContact O-N 3.08Å; Q94-E98 HydrophobicContact CG-CG 4.48Å; Q94-E98 PolarHBondContact NE2-OE1 3.33Å; Q94-E98 WeakPolarHBondContact O-CG 3.49Å; Q94-E98 PolarHBondContact O-N 3.08Å
95	E	98	Very high	97.5	Very high	125 Å²	125	60.9 Å²	60.9	58%	0.584	37%	0.367	S	S	*	.	H	α-helix	trans	-56.7	-49	177	-75	-179.3	-169.3	0	0	111.6	L61 G91 A92 S97 E98 A99	L61-E95 HydrophobicContact CD1-CG 4.45Å; L61-E95 HydrophobicContact CD2-CG 4.07Å; G91-E95 PolarHBondContact O-N 3.33Å; A92-E95 PolarHBondContact O-N 3.37Å; E95-S97 PolarHBondContact O-N 2.63Å; E95-E98 PolarHBondContact O-N 3.02Å; E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.44Å; E95-A99 PolarHBondContact O-N 2.89Å
96	A	98.2	Very high	97.6	Very high	63 Å²	63	63.8 Å²	63.8	52%	0.521	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-42.5	178.6	0	0	0	0	0	112.6	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.35Å; A92-A96 PolarHBondContact O-N 2.91Å; Q94-A96 PolarHBondContact O-N 2.69Å; A96-Y100 WeakPolarHBondContact O-CB 3.4Å; A96-Y100 PolarHBondContact O-N 3.11Å
97	S	98.2	Very high	97.7	Very high	43 Å²	43	59.1 Å²	59.1	30%	0.301	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-44.9	-179.3	-61	0	0	0	0	111.8	L93 Q94 E95 Y100 L101	L93-S97 VanDerWaalsContact O-CB 3.23Å; L93-S97 WeakPolarHBondContact O-CB 3.48Å; L93-S97 PolarHBondContact O-N 2.69Å; L93-S97 PolarHBondContact O-OG 3.43Å; Q94-S97 PolarHBondContact O-N 3.08Å; E95-S97 PolarHBondContact O-N 2.63Å; S97-Y100 PolarHBondContact O-N 3.45Å; S97-L101 WeakPolarHBondContact O-CG 3.39Å; S97-L101 PolarHBondContact O-N 3.36Å
98	E	98.3	Very high	97.8	Very high	18 Å²	18	53.8 Å²	53.8	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-41.6	178.5	-70.2	-167	-149.5	0	0	111.5	L61 L62 I63 Q94 E95 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.3Å; L61-E98 HydrophobicContact CD2-CG 4.48Å; L62-E98 PolarHBondContact N-OE1 3.49Å; L62-E98 PolarHBondContact N-OE2 3.22Å; I63-E98 HydrophobicContact CB-CG 4.49Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.08Å; I63-E98 HydrophobicContact CD1-CG 3.74Å; I63-E98 HydrophobicContact CG1-CG 3.93Å; I63-E98 PolarHBondContact N-OE1 3.28Å; Q94-E98 HydrophobicContact CG-CG 4.48Å; Q94-E98 PolarHBondContact NE2-OE1 3.33Å; Q94-E98 WeakPolarHBondContact O-CG 3.49Å; Q94-E98 PolarHBondContact O-N 3.08Å; E95-E98 PolarHBondContact O-N 3.02Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-Y100 PolarHBondContact O-N 3.32Å; E98-L101 PolarHBondContact O-N 3.07Å; E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.38Å; E98-V102 PolarHBondContact O-N 3.43Å
99	A	97.9	Very high	97.9	Very high	66 Å²	66	53.9 Å²	53.9	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-44.7	174.8	0	0	0	0	0	112	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.44Å; E95-A99 PolarHBondContact O-N 2.89Å; A99-V102 PolarHBondContact O-N 2.92Å; A99-G103 PolarHBondContact O-N 3.18Å
100	Y	97.5	Very high	97.9	Very high	93 Å²	93	57.4 Å²	57.4	37%	0.365	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-47.3	175.9	170.7	-97.3	0	0	0	112	A96 S97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.4Å; A96-Y100 PolarHBondContact O-N 3.11Å; S97-Y100 PolarHBondContact O-N 3.45Å; E98-Y100 VanDerWaalsContact C-N 3.35Å; E98-Y100 PolarHBondContact O-N 3.32Å; Y100-G103 PolarHBondContact O-N 3.48Å; Y100-L104 HydrophobicContact CE1-CD2 4.13Å; Y100-L104 WeakPolarHBondContact O-CB 3.5Å; Y100-L104 PolarHBondContact O-N 3.02Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.4Å; Y100-E134 PolarHBondContact OH-OE2 3.1Å
101	L	97.8	Very high	97.9	Very high	67 Å²	67	57.5 Å²	57.5	35%	0.351	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-41.8	-179.9	-72.3	174.8	0	0	0	112.1	I63 S97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.37Å; S97-L101 WeakPolarHBondContact O-CG 3.39Å; S97-L101 PolarHBondContact O-N 3.36Å; E98-L101 PolarHBondContact O-N 3.07Å; L101-L104 PolarHBondContact O-N 2.96Å; L101-F105 HydrophobicContact CB-CE2 4.45Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 3.17Å
102	V	97.8	Very high	98	Very high	75 Å²	75	56.3 Å²	56.3	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-51.1	175.7	170.5	0	0	0	0	110.1	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.38Å; E98-V102 PolarHBondContact O-N 3.43Å; A99-V102 PolarHBondContact O-N 2.92Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.87Å; V102-F105 PolarHBondContact O-N 3.44Å; V102-F105 VanDerWaalsContact O-N 3.12Å; V102-E106 WeakPolarHBondContact O-CG 3.36Å; V102-E106 PolarHBondContact O-N 3.43Å
103	G	97.2	Very high	98	Very high	17 Å²	17	58.3 Å²	58.3	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-41	177	0	0	0	0	0	112.4	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 3.18Å; Y100-G103 PolarHBondContact O-N 3.48Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.67Å; G103-E106 WeakPolarHBondContact O-CB 3.29Å; G103-E106 PolarHBondContact O-N 3.42Å; G103-D107 PolarHBondContact O-N 2.92Å; G103-R132 PolarHBondContact O-NH2 3.48Å
104	L	97.5	Very high	98	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-38.5	176.6	178.9	60.9	0	0	0	111.9	Y100 L101 V102 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.13Å; Y100-L104 WeakPolarHBondContact O-CB 3.5Å; Y100-L104 PolarHBondContact O-N 3.02Å; L101-L104 PolarHBondContact O-N 2.96Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.87Å; L104-D107 PolarHBondContact O-N 3.32Å; L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.27Å; L104-T108 PolarHBondContact O-N 3.25Å; L104-T108 PolarHBondContact O-OG1 2.92Å; L104-I125 HydrophobicContact CD1-CG2 4.45Å; L104-I125 HydrophobicContact CD2-CG2 4.14Å; L104-I125 HydrophobicContact CG-CG2 4.48Å; L104-A128 HydrophobicContact CD1-CB 4.09Å; L104-R129 HydrophobicContact CD1-CG 3.8Å; L104-R129 HydrophobicContact CD2-CG 4.49Å
105	F	98.2	Very high	98	Very high	102 Å²	102	64.4 Å²	64.4	45%	0.447	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-31.7	176.3	-79	-57.5	0	0	0	113	L101 V102 G103 T108 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.45Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 3.17Å; V102-F105 PolarHBondContact O-N 3.44Å; V102-F105 VanDerWaalsContact O-N 3.12Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.67Å; F105-T108 PolarHBondContact O-N 2.94Å; F105-N109 VanDerWaalsContact O-CB 3.27Å; F105-N109 WeakPolarHBondContact O-CB 3.46Å; F105-N109 PolarHBondContact O-N 2.98Å; F105-I120 HydrophobicContact CD1-CD1 3.87Å; F105-I120 HydrophobicContact CE1-CD1 3.95Å
106	E	97.8	Very high	98	Very high	116 Å²	116	68.2 Å²	68.2	54%	0.542	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-50.9	172	-70.2	176.3	174.8	0	0	110.9	V102 G103 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.36Å; V102-E106 PolarHBondContact O-N 3.43Å; G103-E106 WeakPolarHBondContact O-CB 3.29Å; G103-E106 PolarHBondContact O-N 3.42Å; E106-T108 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 3.15Å; E106-N109 WeakPolarHBondContact O-CB 3.42Å; E106-N109 PolarHBondContact O-N 3.2Å; E106-N109 VanDerWaalsContact O-N 3.17Å; E106-L110 WeakPolarHBondContact O-CG 3.42Å; E106-L110 PolarHBondContact O-N 2.92Å
107	D	97.9	Very high	98	Very high	52 Å²	52	67.5 Å²	67.5	28%	0.278	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-39.5	177.5	-70.6	-13.3	0	0	0	112.4	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 2.92Å; L104-D107 PolarHBondContact O-N 3.32Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.49Å; D107-L110 WeakPolarHBondContact O-CB 3.5Å; D107-L110 PolarHBondContact O-N 2.67Å; D107-C111 PolarHBondContact O-N 2.92Å; D107-C111 PolarHBondContact O-SG 3.24Å; D107-A128 HydrophobicContact CB-CB 3.81Å; D107-R132 IonicContact OD2-CZ 3.11Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.26Å; D107-R132 IonicContact OD2-NH2 2.69Å; D107-R132 PolarHBondContact OD2-NH2 2.95Å
108	T	98.4	Very high	97.9	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-41	175.3	-60.9	0	0	0	0	110.9	L104 F105 E106 C111 A112 I120 D124 I125	L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.27Å; L104-T108 PolarHBondContact O-N 3.25Å; L104-T108 PolarHBondContact O-OG1 2.92Å; F105-T108 PolarHBondContact O-N 2.94Å; E106-T108 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 3.15Å; T108-C111 WeakPolarHBondContact O-CB 3.28Å; T108-C111 PolarHBondContact O-N 2.98Å; T108-A112 PolarHBondContact O-N 3.33Å; T108-I120 HydrophobicContact CG2-CB 3.88Å; T108-I120 HydrophobicContact CG2-CG2 3.88Å; T108-D124 HydrophobicContact CG2-CB 3.63Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å
109	N	98.2	Very high	97.9	Very high	70 Å²	70	75.5 Å²	75.5	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-41.3	176.7	-175.6	50.3	0	0	0	111.3	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.27Å; F105-N109 WeakPolarHBondContact O-CB 3.46Å; F105-N109 PolarHBondContact O-N 2.98Å; E106-N109 WeakPolarHBondContact O-CB 3.42Å; E106-N109 PolarHBondContact O-N 3.2Å; E106-N109 VanDerWaalsContact O-N 3.17Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.49Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3Å; N109-A112 PolarHBondContact O-N 3.25Å; N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.44Å; N109-I113 PolarHBondContact O-N 3.48Å; N109-I120 HydrophobicContact CB-CG2 4.47Å
110	L	98.1	Very high	97.9	Very high	109 Å²	109	75.8 Å²	75.8	57%	0.571	39%	0.391	S	S	*	.	H	α-helix	trans	-59.8	-42	173	-65	177.5	0	0	0	111.8	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.42Å; E106-L110 PolarHBondContact O-N 2.92Å; D107-L110 WeakPolarHBondContact O-CB 3.5Å; D107-L110 PolarHBondContact O-N 2.67Å; L110-A112 PolarHBondContact O-N 3.16Å; L110-I113 PolarHBondContact O-N 3.48Å; L110-H114 WeakPolarHBondContact O-CB 3.49Å; L110-H114 PolarHBondContact O-N 2.96Å
111	C	98	Very high	98	Very high	16 Å²	16	74.8 Å²	74.8	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-62.8	-40.3	175.4	-67.9	0	0	0	0	112.5	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 2.92Å; D107-C111 PolarHBondContact O-SG 3.24Å; T108-C111 WeakPolarHBondContact O-CB 3.28Å; T108-C111 PolarHBondContact O-N 2.98Å; N109-C111 VanDerWaalsContact C-N 3.32Å; N109-C111 PolarHBondContact O-N 3Å; C111-H114 PolarHBondContact O-N 3.22Å; C111-A115 PolarHBondContact O-N 3.05Å; C111-D124 HydrophobicContact CB-CB 3.94Å; C111-L127 HydrophobicContact CB-CD2 4.22Å
112	A	98.3	Very high	98	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-64.9	-44.8	176.2	0	0	0	0	0	111.8	T108 N109 L110 A115 K116 R117 I120	T108-A112 PolarHBondContact O-N 3.33Å; N109-A112 PolarHBondContact O-N 3.25Å; L110-A112 PolarHBondContact O-N 3.16Å; A112-A115 CarbonylContact O-C 3.45Å; A112-A115 PolarHBondContact O-N 3.41Å; A112-A115 VanDerWaalsContact O-N 3.16Å; A112-K116 PolarHBondContact O-N 3.44Å; A112-R117 CarbonylContact C-O 3.29Å; A112-R117 VanDerWaalsContact C-O 3.29Å; A112-R117 PolarHBondContact O-N 2.97Å; A112-R117 VanDerWaalsContact O-O 3.09Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
113	I	98.2	Very high	98	Very high	98 Å²	98	78 Å²	78	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-42.9	177	-68.6	167.1	0	0	0	110.6	N109 L110 A115 K116 R117	N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.44Å; N109-I113 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 3.48Å; I113-A115 PolarHBondContact O-N 3.31Å; I113-K116 WeakPolarHBondContact O-CA 3.39Å; I113-K116 PolarHBondContact O-N 3.45Å; I113-R117 PolarHBondContact N-O 3.25Å
114	H	97.9	Very high	98	Very high	161 Å²	161	77.4 Å²	77.4	75%	0.745	40%	0.398	S	S	*	.	H	α-helix	trans	-56.6	-37.8	175.7	-177.5	75.7	0	0	0	111.8	L110 C111 K116	L110-H114 WeakPolarHBondContact O-CB 3.49Å; L110-H114 PolarHBondContact O-N 2.96Å; C111-H114 PolarHBondContact O-N 3.22Å; H114-K116 PolarHBondContact O-N 2.74Å
115	A	97.9	Very high	98	Very high	47 Å²	47	79.2 Å²	79.2	39%	0.388	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	18.6	175.2	0	0	0	0	0	114.4	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.05Å; A112-A115 CarbonylContact O-C 3.45Å; A112-A115 PolarHBondContact O-N 3.41Å; A112-A115 VanDerWaalsContact O-N 3.16Å; I113-A115 PolarHBondContact O-N 3.31Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.29Å
116	K	98.2	Very high	97.9	Very high	205 Å²	205	80.9 Å²	80.9	89%	0.891	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	32.1	-179.7	-56	179.9	-179	177.7	0	114.2	A112 I113 H114	A112-K116 PolarHBondContact O-N 3.44Å; I113-K116 WeakPolarHBondContact O-CA 3.39Å; I113-K116 PolarHBondContact O-N 3.45Å; H114-K116 PolarHBondContact O-N 2.74Å
117	R	98.2	Very high	97.8	Very high	49 Å²	49	78.9 Å²	78.9	19%	0.185	41%	0.409	C	S	.	.			trans	-118.1	155.9	176.1	-71.8	176.6	-71	106.6	-2.1	110.8	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.29Å; A112-R117 VanDerWaalsContact C-O 3.29Å; A112-R117 PolarHBondContact O-N 2.97Å; A112-R117 VanDerWaalsContact O-O 3.09Å; I113-R117 PolarHBondContact N-O 3.25Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.29Å; R117-T119 PolarHBondContact NH1-O 2.89Å; R117-K123 VanDerWaalsContact NH2-CE 3.26Å; R117-D124 IonicContact CZ-OD1 3.56Å; R117-D124 IonicContact CZ-OD2 3.57Å; R117-D124 IonicContact NH1-OD1 3.51Å; R117-D124 IonicContact NH1-OD2 2.74Å; R117-D124 PolarHBondContact NH1-OD2 3.17Å; R117-D124 IonicContact NH2-OD1 2.69Å; R117-D124 PolarHBondContact NH2-OD1 3.49Å; R117-D124 IonicContact NH2-OD2 3.45Å; R117-D124 PolarHBondContact NH2-OD2 3.35Å
118	V	97.2	Very high	97.8	Very high	136 Å²	136	76.5 Å²	76.5	82%	0.824	40%	0.397	S	S	*	.	S	Bend	trans	-106.7	-11.9	171.1	-62.7	0	0	0	0	112.8
119	T	98.3	Very high	97.7	Very high	93 Å²	93	81.4 Å²	81.4	57%	0.571	42%	0.416	S	S	*	.	S	Bend	trans	-100.8	119.3	177.9	-51.4	0	0	0	0	108.7	R117	R117-T119 PolarHBondContact NH1-O 2.89Å
120	I	98	Very high	97.6	Very high	71 Å²	71	85.2 Å²	85.2	36%	0.364	43%	0.425	S	S	.	.			trans	-66.7	144.5	172.6	60	171.8	0	0	0	110.8	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.87Å; F105-I120 HydrophobicContact CE1-CD1 3.95Å; T108-I120 HydrophobicContact CG2-CB 3.88Å; T108-I120 HydrophobicContact CG2-CG2 3.88Å; N109-I120 HydrophobicContact CB-CG2 4.47Å; A112-I120 HydrophobicContact CB-CG2 4.03Å
121	M	98.4	Very high	97.4	Very high	72 Å²	72	86.2 Å²	86.2	36%	0.355	43%	0.429	S	S	.	.			trans	-131.6	159.1	-178.8	-65.4	179.1	176.8	0	0	110.1	K123 D124	M121-K123 HydrophobicContact CB-CG 3.99Å; M121-K123 PolarHBondContact O-N 3.11Å; M121-K123 VanDerWaalsContact O-N 3.11Å; M121-K123 VanDerWaalsContact SD-CE 3.57Å; M121-D124 PolarHBondContact N-OD2 3.33Å; M121-D124 VanDerWaalsContact O-CB 3.29Å; M121-D124 WeakPolarHBondContact O-CB 3.44Å; M121-D124 PolarHBondContact O-N 2.88Å
122	P	98.1	Very high	97.3	Very high	96 Å²	96	89.4 Å²	89.4	62%	0.623	44%	0.439	S	S	*	.	H	α-helix	trans	-53.8	-33.9	177.8	-29.1	36.2	0	0	0	114.4	D124 I125 Q126	P122-D124 PolarHBondContact O-N 3.47Å; P122-I125 PolarHBondContact O-N 2.98Å; P122-Q126 WeakPolarHBondContact O-CG 3.46Å; P122-Q126 PolarHBondContact O-N 3.21Å
123	K	97.2	Very high	97.1	Very high	113 Å²	113	92.3 Å²	92.3	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-62.4	-29.1	175.3	66.7	-177.3	-178.4	-176.1	0	113.7	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.26Å; M121-K123 HydrophobicContact CB-CG 3.99Å; M121-K123 PolarHBondContact O-N 3.11Å; M121-K123 VanDerWaalsContact O-N 3.11Å; M121-K123 VanDerWaalsContact SD-CE 3.57Å; K123-L127 WeakPolarHBondContact O-CB 3.29Å; K123-L127 PolarHBondContact O-N 3.02Å
124	D	98	Very high	96.4	Very high	5 Å²	5	90.4 Å²	90.4	3%	0.027	46%	0.458	C	S	.	.	H	α-helix	trans	-73.2	-39.7	178.9	-55.8	-38.5	0	0	0	109.9	T108 C111 R117 M121 P122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.63Å; C111-D124 HydrophobicContact CB-CB 3.94Å; R117-D124 IonicContact CZ-OD1 3.56Å; R117-D124 IonicContact CZ-OD2 3.57Å; R117-D124 IonicContact NH1-OD1 3.51Å; R117-D124 IonicContact NH1-OD2 2.74Å; R117-D124 PolarHBondContact NH1-OD2 3.17Å; R117-D124 IonicContact NH2-OD1 2.69Å; R117-D124 PolarHBondContact NH2-OD1 3.49Å; R117-D124 IonicContact NH2-OD2 3.45Å; R117-D124 PolarHBondContact NH2-OD2 3.35Å; M121-D124 PolarHBondContact N-OD2 3.33Å; M121-D124 VanDerWaalsContact O-CB 3.29Å; M121-D124 WeakPolarHBondContact O-CB 3.44Å; M121-D124 PolarHBondContact O-N 2.88Å; P122-D124 PolarHBondContact O-N 3.47Å; D124-L127 PolarHBondContact O-N 3.37Å; D124-A128 WeakPolarHBondContact O-CB 3.38Å; D124-A128 PolarHBondContact O-N 3.47Å
125	I	97.2	Very high	95	Very high	53 Å²	53	90.5 Å²	90.5	27%	0.272	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-45.9	174	-60.3	175.5	0	0	0	110	L104 T108 P122 L127 A128 R129	L104-I125 HydrophobicContact CD1-CG2 4.45Å; L104-I125 HydrophobicContact CD2-CG2 4.14Å; L104-I125 HydrophobicContact CG-CG2 4.48Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å; P122-I125 PolarHBondContact O-N 2.98Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.16Å; I125-A128 PolarHBondContact O-N 3.19Å; I125-R129 HydrophobicContact CG2-CG 4.44Å; I125-R129 WeakPolarHBondContact O-CB 3.22Å; I125-R129 WeakPolarHBondContact O-CG 3.29Å; I125-R129 PolarHBondContact O-N 3.27Å
126	Q	96.5	Very high	92.8	Very high	136 Å²	136	96 Å²	96	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-60.8	-40.6	177.8	-70.7	171.4	-0.7	0	0	111.8	P122 R130	P122-Q126 WeakPolarHBondContact O-CG 3.46Å; P122-Q126 PolarHBondContact O-N 3.21Å; Q126-R130 VanDerWaalsContact O-CB 3.29Å; Q126-R130 WeakPolarHBondContact O-CB 3.31Å; Q126-R130 PolarHBondContact O-N 3.31Å
127	L	96.3	Very high	92.6	Very high	74 Å²	74	90.6 Å²	90.6	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-65.4	-47.7	176	-179.8	59.7	0	0	0	111.4	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.22Å; K123-L127 WeakPolarHBondContact O-CB 3.29Å; K123-L127 PolarHBondContact O-N 3.02Å; D124-L127 PolarHBondContact O-N 3.37Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.16Å; L127-R129 PolarHBondContact O-N 3Å; L127-R130 WeakPolarHBondContact O-CB 3.36Å; L127-R130 PolarHBondContact O-N 3.43Å; L127-I131 HydrophobicContact CD1-CD1 4Å; L127-I131 HydrophobicContact CD1-CG1 4.31Å; L127-I131 HydrophobicContact CG-CD1 4Å; L127-I131 WeakPolarHBondContact O-CG1 3.35Å; L127-I131 PolarHBondContact O-N 2.77Å
128	A	96.6	Very high	92.3	Very high	3 Å²	3	92.7 Å²	92.7	3%	0.025	49%	0.492	C	S	.	.	H	α-helix	trans	-57.2	-50.6	177.1	0	0	0	0	0	111.6	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.09Å; D107-A128 HydrophobicContact CB-CB 3.81Å; D124-A128 WeakPolarHBondContact O-CB 3.38Å; D124-A128 PolarHBondContact O-N 3.47Å; I125-A128 PolarHBondContact O-N 3.19Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-R130 PolarHBondContact O-N 3.26Å; A128-I131 PolarHBondContact O-N 2.95Å; A128-I131 VanDerWaalsContact O-N 3.15Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 2.69Å
129	R	96.5	Very high	92	Very high	103 Å²	103	90.3 Å²	90.3	39%	0.389	47%	0.474	S	S	.	.	H	α-helix	trans	-60.7	-36.8	176.9	-71.4	-173.4	63.2	-158.4	-7	113	L104 I125 L127 R132 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.8Å; L104-R129 HydrophobicContact CD2-CG 4.49Å; I125-R129 HydrophobicContact CG2-CG 4.44Å; I125-R129 WeakPolarHBondContact O-CB 3.22Å; I125-R129 WeakPolarHBondContact O-CG 3.29Å; I125-R129 PolarHBondContact O-N 3.27Å; L127-R129 PolarHBondContact O-N 3Å; R129-R132 PolarHBondContact O-N 3.03Å; R129-G133 PolarHBondContact O-N 2.91Å; R129-E134 PolarHBondContact NH2-O 3.4Å; R129-E134 PolarHBondContact O-N 3.08Å; R129-E134 VanDerWaalsContact O-N 3.08Å
130	R	95.9	Very high	91.6	Very high	150 Å²	150	90.2 Å²	90.2	57%	0.566	47%	0.468	S	S	*	.	H	α-helix	trans	-63.7	-43.3	175.4	179.5	-179.5	-174.5	170.5	-0.5	111.5	Q126 L127 A128 G133 R135	Q126-R130 VanDerWaalsContact O-CB 3.29Å; Q126-R130 WeakPolarHBondContact O-CB 3.31Å; Q126-R130 PolarHBondContact O-N 3.31Å; L127-R130 WeakPolarHBondContact O-CB 3.36Å; L127-R130 PolarHBondContact O-N 3.43Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-R130 PolarHBondContact O-N 3.26Å; R130-G133 PolarHBondContact O-N 3.18Å; R130-R135 VanDerWaalsContact CD-NH2 3.34Å
131	I	94.9	Very high	91.2	Very high	129 Å²	129	91.4 Å²	91.4	66%	0.662	48%	0.475	S	S	*	.	H	α-helix	trans	-68.2	-38.2	179.6	-66.9	168.2	0	0	0	110.7	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 4Å; L127-I131 HydrophobicContact CD1-CG1 4.31Å; L127-I131 HydrophobicContact CG-CD1 4Å; L127-I131 WeakPolarHBondContact O-CG1 3.35Å; L127-I131 PolarHBondContact O-N 2.77Å; A128-I131 PolarHBondContact O-N 2.95Å; A128-I131 VanDerWaalsContact O-N 3.15Å; I131-G133 PolarHBondContact O-N 3.04Å
132	R	94.8	Very high	90.8	Very high	84 Å²	84	92.7 Å²	92.7	32%	0.317	48%	0.483	S	S	.	.	H	α-helix	trans	-67.5	-16.1	175.5	-70.2	-173.1	177.5	-166.7	-7.3	114.8	G103 D107 A128 R129 E134	G103-R132 PolarHBondContact O-NH2 3.48Å; D107-R132 IonicContact OD2-CZ 3.11Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.26Å; D107-R132 IonicContact OD2-NH2 2.69Å; D107-R132 PolarHBondContact OD2-NH2 2.95Å; A128-R132 WeakPolarHBondContact O-CG 3.47Å; A128-R132 PolarHBondContact O-N 2.69Å; R129-R132 PolarHBondContact O-N 3.03Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-E134 HydrophobicContact CB-CG 3.85Å; R132-E134 WeakPolarHBondContact CD-OE1 3.49Å; R132-E134 IonicContact NH1-OE1 3.43Å; R132-E134 PolarHBondContact NH1-OE1 3.16Å
133	G	93.8	Very high	90.2	Very high	60 Å²	60	92.4 Å²	92.4	62%	0.619	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	13.2	-174.3	0	0	0	0	0	114.3	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 2.91Å; R130-G133 PolarHBondContact O-N 3.18Å; I131-G133 PolarHBondContact O-N 3.04Å; G133-R135 PolarHBondContact O-N 3.34Å; G133-R135 VanDerWaalsContact O-N 3.08Å
134	E	84.5	Confident	89.7	Confident	59 Å²	59	90.8 Å²	90.8	28%	0.276	47%	0.471	S	S	.	.			trans	-84.1	30.2	-177.7	-62.8	173.2	-173.2	0	0	113.2	Y100 R129 R132	Y100-E134 WeakPolarHBondContact CE2-OE1 3.4Å; Y100-E134 PolarHBondContact OH-OE2 3.1Å; R129-E134 PolarHBondContact NH2-O 3.4Å; R129-E134 PolarHBondContact O-N 3.08Å; R129-E134 VanDerWaalsContact O-N 3.08Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-E134 HydrophobicContact CB-CG 3.85Å; R132-E134 WeakPolarHBondContact CD-OE1 3.49Å; R132-E134 IonicContact NH1-OE1 3.43Å; R132-E134 PolarHBondContact NH1-OE1 3.16Å
135	R	68.1	Low	89	Confident	163 Å²	163	98 Å²	98	62%	0.615	51%	0.508	S	S	*	.			trans	-72.4	136.9	177.3	-86.4	-177.5	168.6	-173.6	-9.2	109.7	R130 G133	R130-R135 VanDerWaalsContact CD-NH2 3.34Å; G133-R135 PolarHBondContact O-N 3.34Å; G133-R135 VanDerWaalsContact O-N 3.08Å
136	A	52.8	Low	88.2	Confident	162 Å²	162	102.1 Å²	102.1	100%	1.339	53%	0.53	S	S	*	.			trans	-62.8	0	153.7	0	0	0	0	0	109.4

Retrieved 136 of 136 residues in 30.3 ms (Link to these results)

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