C4QHD7_SCHMA Loading...

Histone H3

AlphaFold DB , UniProt , Accession C4QHD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 aa.

						>C4QHD7_SCHMA|C4QHD7
MARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKTDLRFQSSAVSALQEASEAYLVGLFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA
					

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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	46.3	Very low	63.2	Low	252 Å²	252	175.8 Å²	175.8	100%	1.241	90%	0.902	S	S	*	*				0	110.5	0	-83.3	177.2	176.2	0	0	109.1
2	A	61.5	Low	63	Low	102 Å²	102	171.6 Å²	171.6	84%	0.843	89%	0.891	S	S	*	*			trans	-94.7	117.4	176.9	0	0	0	0	0	110	T4	A2-T4 PolarHBondContact O-N 3.2Å
3	R	63.1	Low	62.3	Low	256 Å²	256	165.2 Å²	165.2	97%	0.966	89%	0.892	S	S	*	*			trans	-76.2	110.4	179.9	-121.6	-179.6	179.4	178.5	0.2	109.6	K5	R3-K5 PolarHBondContact O-N 3.42Å
4	T	71.5	Confident	62.3	Low	136 Å²	136	158.1 Å²	158.1	83%	0.834	88%	0.877	S	S	*	*			trans	-78.5	114.6	168.5	38	0	0	0	0	109.7	A2 Q6	A2-T4 PolarHBondContact O-N 3.2Å; T4-Q6 PolarHBondContact O-N 2.89Å
5	K	72.1	Confident	62.1	Low	200 Å²	200	161.6 Å²	161.6	87%	0.87	88%	0.879	S	S	*	*			trans	-77.1	98.1	177.8	-152	176.4	-171.6	179	0	108.4	R3 T7	R3-K5 PolarHBondContact O-N 3.42Å; K5-T7 PolarHBondContact O-N 3.13Å
6	Q	70.1	Confident	62.1	Low	191 Å²	191	157.3 Å²	157.3	89%	0.893	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-62.8	116.8	167.8	-84.6	-173.5	-6.9	0	0	108.8	T4	T4-Q6 PolarHBondContact O-N 2.89Å
7	T	65.7	Low	61.9	Low	128 Å²	128	155.8 Å²	155.8	79%	0.785	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-86.5	124.5	168.3	46.7	0	0	0	0	109.3	K5 R9	K5-T7 PolarHBondContact O-N 3.13Å; T7-R9 PolarHBondContact O-N 3.43Å
8	A	63.3	Low	61.7	Low	100 Å²	100	161.1 Å²	161.1	83%	0.826	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-64.4	119.8	178.4	0	0	0	0	0	110.9	K10	A8-K10 PolarHBondContact O-N 2.84Å
9	R	62.6	Low	61.1	Low	244 Å²	244	163.4 Å²	163.4	92%	0.921	88%	0.876	S	S	*	*			trans	-75.7	114.8	169.3	-110.3	179.3	168.6	179.2	-2.7	108.8	T7 S11	T7-R9 PolarHBondContact O-N 3.43Å; R9-S11 PolarHBondContact O-N 2.92Å
10	K	58.7	Low	60.6	Low	201 Å²	201	163.8 Å²	163.8	87%	0.874	87%	0.873	S	S	*	*			trans	-57.2	133.8	171.6	-71	-177.8	177.2	-178.7	0	110.2	A8 T12	A8-K10 PolarHBondContact O-N 2.84Å; K10-T12 VanDerWaalsContact C-N 3.31Å; K10-T12 PolarHBondContact O-N 3.15Å
11	S	59.8	Low	60.4	Low	124 Å²	124	163.6 Å²	163.6	87%	0.867	87%	0.871	S	S	*	*	S	Bend	trans	-82.2	12.8	-165.5	43.5	0	0	0	0	115.8	R9	R9-S11 PolarHBondContact O-N 2.92Å
12	T	61.7	Low	60.7	Low	125 Å²	125	156 Å²	156	77%	0.767	85%	0.848	S	S	*	*			trans	-128.8	77	-178.9	50.3	0	0	0	0	110.9	K10 G14	K10-T12 VanDerWaalsContact C-N 3.31Å; K10-T12 PolarHBondContact O-N 3.15Å; T12-G14 VanDerWaalsContact C-N 3.25Å; T12-G14 PolarHBondContact O-N 3.47Å
13	G	54	Low	60.5	Low	88 Å²	88	158.1 Å²	158.1	91%	0.907	85%	0.851	S	S	*	*			trans	-79.6	64.3	174.3	0	0	0	0	0	112.6
14	G	61.7	Low	60.3	Low	66 Å²	66	155.5 Å²	155.5	68%	0.68	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-93.1	125.7	164.6	0	0	0	0	0	109.4	T12 A16	T12-G14 VanDerWaalsContact C-N 3.25Å; T12-G14 PolarHBondContact O-N 3.47Å; G14-A16 PolarHBondContact O-N 3.2Å
15	K	59.9	Low	59.6	Low	211 Å²	211	153.7 Å²	153.7	92%	0.917	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-50	137.6	-174.7	-74.6	-172.9	172.3	-174.9	0	112.8
16	A	61.2	Low	58.8	Low	93 Å²	93	148.5 Å²	148.5	77%	0.769	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-58.4	138.4	174.4	0	0	0	0	0	112.1	G14	G14-A16 PolarHBondContact O-N 3.2Å
17	P	59.2	Low	58.2	Low	131 Å²	131	150.4 Å²	150.4	85%	0.851	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-80.5	125.1	177.7	27.5	-23.4	0	0	0	110.4
18	R	58.6	Low	57.7	Low	252 Å²	252	154.4 Å²	154.4	95%	0.951	85%	0.845	S	S	*	*			trans	-113.9	128.4	173.1	-125	-179.9	-179	-177.4	-0.6	110.6
19	K	50	Low	57.3	Low	204 Å²	204	154.5 Å²	154.5	89%	0.887	84%	0.84	S	S	*	*			trans	-62.5	138.8	-179.1	-84.5	176.4	167.5	179.5	0	113.6
20	Q	51	Low	57.2	Low	172 Å²	172	146 Å²	146	80%	0.804	82%	0.821	S	S	*	*			trans	28	121	148.7	-64.4	178.8	-9	0	0	121.4
21	L	56.1	Low	57.2	Low	159 Å²	159	141.1 Å²	141.1	83%	0.832	81%	0.81	S	S	*	*				157.2	119.5	111.8	-95.3	125.3	0	0	0	111.1
22	A	53.1	Low	57.3	Low	92 Å²	92	140.2 Å²	140.2	76%	0.76	81%	0.811	S	S	*	*			trans	31.2	107.1	161.3	0	0	0	0	0	119.7
23	T	58.1	Low	57.2	Low	147 Å²	147	140.9 Å²	140.9	90%	0.902	82%	0.815	S	S	*	*			trans	-163.2	128.7	141.9	21.7	0	0	0	0	111.7
24	K	56.9	Low	57.6	Low	202 Å²	202	138.8 Å²	138.8	88%	0.878	79%	0.793	S	S	*	*			trans	-31.3	130.7	173.1	-74.3	165.3	169	174	0	114.7	A26	K24-A26 VanDerWaalsContact C-N 3.34Å; K24-A26 PolarHBondContact O-N 3.03Å
25	A	58.8	Low	57.8	Low	97 Å²	97	139.5 Å²	139.5	80%	0.802	80%	0.8	S	S	*	*			trans	4.5	64.2	157.3	0	0	0	0	0	118.3	R27	A25-R27 PolarHBondContact O-N 3.49Å
26	A	54.5	Low	58.3	Low	91 Å²	91	134.8 Å²	134.8	75%	0.752	79%	0.789	S	S	*	*			trans	-83.3	68.8	170.4	0	0	0	0	0	109.8	K24 K28	K24-A26 VanDerWaalsContact C-N 3.34Å; K24-A26 PolarHBondContact O-N 3.03Å; A26-K28 PolarHBondContact O-N 3.49Å; A26-K28 VanDerWaalsContact O-N 3.15Å
27	R	56.7	Low	59	Low	231 Å²	231	139.6 Å²	139.6	87%	0.872	79%	0.792	S	S	*	*			trans	-71.8	103.4	171.3	-75.3	-177.6	177.6	175.2	0	108.9	A25 S29	A25-R27 PolarHBondContact O-N 3.49Å; R27-S29 PolarHBondContact O-N 3.32Å; R27-S29 VanDerWaalsContact O-N 3.16Å
28	K	55.9	Low	60.1	Low	212 Å²	212	142.9 Å²	142.9	92%	0.922	79%	0.793	S	S	*	*			trans	42	54.3	160.1	-75	-179.2	174.2	174.8	0	115.5	A26	A26-K28 PolarHBondContact O-N 3.49Å; A26-K28 VanDerWaalsContact O-N 3.15Å
29	S	54.2	Low	61.4	Low	103 Å²	103	136.2 Å²	136.2	72%	0.72	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-84.8	132.1	152.3	44.2	0	0	0	0	108.2	R27	R27-S29 PolarHBondContact O-N 3.32Å; R27-S29 VanDerWaalsContact O-N 3.16Å
30	A	61.1	Low	63.3	Low	65 Å²	65	133.7 Å²	133.7	54%	0.537	77%	0.773	S	S	.	*	P	Polyproline II helix	trans	-57.9	148.8	-179.6	0	0	0	0	0	110.8	A32	A30-A32 PolarHBondContact O-N 3.05Å
31	P	58.6	Low	65.3	Low	98 Å²	98	136 Å²	136	64%	0.636	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-54.5	131	175.2	22.4	-31.7	0	0	0	109.9	T33	P31-T33 PolarHBondContact O-N 3.45Å
32	A	62.8	Low	67.1	Low	106 Å²	106	134.2 Å²	134.2	88%	0.876	76%	0.758	S	S	*	*	S	Bend	trans	-62.7	-7.4	-177.1	0	0	0	0	0	113.8	A30	A30-A32 PolarHBondContact O-N 3.05Å
33	T	58.7	Low	69.1	Low	139 Å²	139	139.5 Å²	139.5	85%	0.853	76%	0.758	S	S	*	*	S	Bend	trans	-142.5	73.7	-177.1	44.2	0	0	0	0	109.6	P31	P31-T33 PolarHBondContact O-N 3.45Å
34	G	62.5	Low	70.9	Confident	43 Å²	43	138.6 Å²	138.6	44%	0.443	76%	0.755	S	S	.	*	S	Bend	trans	174.4	121.6	175.4	0	0	0	0	0	109.6	V36	G34-V36 PolarHBondContact O-N 3Å
35	G	66.7	Low	72.8	Confident	81 Å²	81	131 Å²	131	84%	0.835	73%	0.734	S	S	*	*			trans	-40.8	122.6	-172.4	0	0	0	0	0	112.5	K37	G35-K37 PolarHBondContact O-N 3.48Å
36	V	70.3	Confident	74.7	Confident	112 Å²	112	129.1 Å²	129.1	68%	0.679	71%	0.712	S	S	*	*			trans	-53.6	117.1	175.2	179.6	0	0	0	0	106.9	G34 K38	G34-V36 PolarHBondContact O-N 3Å; V36-K38 PolarHBondContact O-N 3Å; V36-K38 VanDerWaalsContact O-N 3.08Å
37	K	75.6	Confident	76.7	Confident	194 Å²	194	127 Å²	127	84%	0.843	69%	0.69	S	S	*	*			trans	-50.4	124.8	171.7	-78.3	-170.5	175.6	-174.3	0	107.1	G35 P39	G35-K37 PolarHBondContact O-N 3.48Å; K37-P39 WeakPolarHBondContact O-CD 3.41Å; K37-P39 VanDerWaalsContact O-N 3.09Å
38	K	81.7	Confident	78.6	Confident	201 Å²	201	118.2 Å²	118.2	87%	0.874	67%	0.667	S	S	*	*			trans	-45	122.4	-179.7	-71	-175.2	179.5	-179.5	0	108.5	V36 H40	V36-K38 PolarHBondContact O-N 3Å; V36-K38 VanDerWaalsContact O-N 3.08Å; K38-H40 PolarHBondContact O-N 3.45Å
39	P	86.5	Confident	80.6	Confident	111 Å²	111	113 Å²	113	72%	0.721	65%	0.648	S	S	*	*			trans	-52.4	133.2	178.4	-27.8	34.7	0	0	0	109.8	K37 R41	K37-P39 WeakPolarHBondContact O-CD 3.41Å; K37-P39 VanDerWaalsContact O-N 3.09Å; P39-R41 PolarHBondContact O-N 3.42Å
40	H	89.7	Confident	82.7	Confident	151 Å²	151	113.5 Å²	113.5	70%	0.699	63%	0.634	S	S	*	*			trans	-62.8	123	177.6	172.3	-83.5	0	0	0	109.3	K38 Y42	K38-H40 PolarHBondContact O-N 3.45Å; H40-Y42 AromaticContact CE1-CD1 3.8Å; H40-Y42 AromaticContact CE1-CE1 3.73Å; H40-Y42 AromaticContact CE1-CZ 3.91Å
41	R	92.4	Very high	84.5	Confident	222 Å²	222	114.9 Å²	114.9	84%	0.838	63%	0.63	S	S	*	*			trans	-117.9	126	175.8	-170.2	175.3	178.8	177.6	0.3	109.5	P39	P39-R41 PolarHBondContact O-N 3.42Å
42	Y	94.2	Very high	86.3	Confident	121 Å²	121	114.4 Å²	114.4	48%	0.475	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-63.7	147.2	170.5	-70.1	-75.2	0	0	0	110.6	H40 T46 V47	H40-Y42 AromaticContact CE1-CD1 3.8Å; H40-Y42 AromaticContact CE1-CE1 3.73Å; 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 3.97Å; Y42-V47 HydrophobicContact CG-CG2 4.03Å
43	R	95.6	Very high	88	Confident	203 Å²	203	117.4 Å²	117.4	77%	0.766	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-64.1	147.8	173.4	-62.6	178.9	74.4	-173	3	109.6	G45 T46	R43-G45 PolarHBondContact O-N 2.68Å; R43-T46 VanDerWaalsContact O-CB 3.3Å; R43-T46 WeakPolarHBondContact O-CB 3.47Å; R43-T46 PolarHBondContact O-N 2.97Å; R43-T46 PolarHBondContact O-OG1 2.97Å
44	P	96.5	Very high	89.9	Confident	128 Å²	128	117.6 Å²	117.6	83%	0.831	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	138.4	170.9	-25.4	34.8	0	0	0	110.6	T46	P44-T46 VanDerWaalsContact C-N 3.31Å; P44-T46 PolarHBondContact O-N 3.32Å
45	G	96.3	Very high	91.6	Very high	42 Å²	42	119.9 Å²	119.9	43%	0.433	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	86	-25.8	-174.6	0	0	0	0	0	115.4	R43 V47 A48 L49	R43-G45 PolarHBondContact O-N 2.68Å; G45-V47 PolarHBondContact O-N 3.08Å; G45-A48 PolarHBondContact O-N 3.16Å; G45-L49 WeakPolarHBondContact O-CG 3.34Å; G45-L49 PolarHBondContact O-N 3.35Å
46	T	97.7	Very high	93	Very high	57 Å²	57	123.2 Å²	123.2	35%	0.35	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-42.2	179.8	-56.6	0	0	0	0	112.4	Y42 R43 P44 R50	Y42-T46 HydrophobicContact CD1-CG2 3.74Å; Y42-T46 HydrophobicContact CG-CG2 4.37Å; R43-T46 VanDerWaalsContact O-CB 3.3Å; R43-T46 WeakPolarHBondContact O-CB 3.47Å; R43-T46 PolarHBondContact O-N 2.97Å; R43-T46 PolarHBondContact O-OG1 2.97Å; P44-T46 VanDerWaalsContact C-N 3.31Å; P44-T46 PolarHBondContact O-N 3.32Å; T46-R50 PolarHBondContact O-N 2.69Å
47	V	97.4	Very high	94.3	Very high	48 Å²	48	126.8 Å²	126.8	29%	0.291	59%	0.591	S	S	.	*	H	α-helix	trans	-71.7	-42.5	178	-178.8	0	0	0	0	110.7	Y42 G45 L49 R50 E51	Y42-V47 HydrophobicContact CD2-CG2 3.97Å; Y42-V47 HydrophobicContact CG-CG2 4.03Å; G45-V47 PolarHBondContact O-N 3.08Å; V47-L49 PolarHBondContact O-N 3.36Å; V47-R50 WeakPolarHBondContact O-CB 3.31Å; V47-R50 PolarHBondContact O-N 2.96Å; V47-R50 VanDerWaalsContact O-N 3.1Å; V47-E51 HydrophobicContact CG1-CG 4.44Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.44Å; V47-E51 WeakPolarHBondContact O-CG 3.26Å; V47-E51 PolarHBondContact O-N 3.06Å
48	A	97.2	Very high	95.3	Very high	46 Å²	46	119.5 Å²	119.5	38%	0.38	56%	0.564	S	S	.	*	H	α-helix	trans	-58.6	-47	178	0	0	0	0	0	112.2	G45 R50 E51 I52	G45-A48 PolarHBondContact O-N 3.16Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.27Å; A48-E51 PolarHBondContact O-N 3.2Å; A48-I52 VanDerWaalsContact O-CG1 3.31Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 3.28Å
49	L	97.7	Very high	96.1	Very high	101 Å²	101	117 Å²	117	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-63	-32.9	176.6	-72.1	173.8	0	0	0	112.9	G45 V47 R53	G45-L49 WeakPolarHBondContact O-CG 3.34Å; G45-L49 PolarHBondContact O-N 3.35Å; V47-L49 PolarHBondContact O-N 3.36Å; L49-R53 VanDerWaalsContact O-CG 3.29Å; L49-R53 WeakPolarHBondContact O-CG 3.23Å; L49-R53 PolarHBondContact O-N 3.26Å; L49-R53 VanDerWaalsContact O-N 3.16Å
50	R	98	Very high	96.5	Very high	115 Å²	115	116.6 Å²	116.6	43%	0.434	55%	0.554	S	S	.	*	H	α-helix	trans	-69.7	-40.5	175.5	-178.2	174.7	60.9	-120	4	111.4	T46 V47 A48 R54	T46-R50 PolarHBondContact O-N 2.69Å; V47-R50 WeakPolarHBondContact O-CB 3.31Å; V47-R50 PolarHBondContact O-N 2.96Å; V47-R50 VanDerWaalsContact O-N 3.1Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.27Å; R50-R54 WeakPolarHBondContact O-CB 3.38Å; R50-R54 PolarHBondContact O-N 2.83Å
51	E	97.8	Very high	96.9	Very high	93 Å²	93	112.1 Å²	112.1	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-65.6	-45.9	175.7	-73.1	170.6	-173.1	0	0	111.6	V47 A48 R53 R54 Y55	V47-E51 HydrophobicContact CG1-CG 4.44Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.44Å; V47-E51 WeakPolarHBondContact O-CG 3.26Å; V47-E51 PolarHBondContact O-N 3.06Å; A48-E51 PolarHBondContact O-N 3.2Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 2.79Å; E51-R54 WeakPolarHBondContact O-CB 3.36Å; E51-R54 PolarHBondContact O-N 3.13Å; E51-Y55 HydrophobicContact CB-CD2 4.29Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 HydrophobicContact CG-CE2 4.49Å; E51-Y55 WeakPolarHBondContact O-CD2 3.41Å; E51-Y55 PolarHBondContact O-N 3.36Å
52	I	97.7	Very high	97.1	Very high	88 Å²	88	106 Å²	106	45%	0.451	52%	0.519	S	S	.	.	H	α-helix	trans	-54.8	-50.9	175.4	-68.1	164.9	0	0	0	110.5	A48 R54 Y55 Q56	A48-I52 VanDerWaalsContact O-CG1 3.31Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 3.28Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.97Å; I52-Y55 PolarHBondContact O-N 3.21Å; I52-Q56 HydrophobicContact CG2-CG 4.35Å; I52-Q56 WeakPolarHBondContact O-CB 3.1Å; I52-Q56 VanDerWaalsContact O-CG 3.3Å; I52-Q56 WeakPolarHBondContact O-CG 3.42Å; I52-Q56 PolarHBondContact O-N 3.03Å
53	R	98	Very high	97.3	Very high	170 Å²	170	103.3 Å²	103.3	64%	0.642	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-30.9	178.3	-70.2	176.1	-169.5	-166.8	2.4	113.5	L49 E51 K57	L49-R53 VanDerWaalsContact O-CG 3.29Å; L49-R53 WeakPolarHBondContact O-CG 3.23Å; L49-R53 PolarHBondContact O-N 3.26Å; L49-R53 VanDerWaalsContact O-N 3.16Å; E51-R53 VanDerWaalsContact C-N 3.35Å; E51-R53 PolarHBondContact O-N 2.79Å; R53-K57 VanDerWaalsContact O-CG 3.29Å; R53-K57 WeakPolarHBondContact O-CG 3.43Å
54	R	98.1	Very high	97.4	Very high	142 Å²	142	103.5 Å²	103.5	54%	0.536	51%	0.513	S	S	.	.	H	α-helix	trans	-68.6	-54.1	176.1	177.7	-173.2	167.3	-166.8	-7.6	109.6	R50 E51 I52 Q56 K57 S58 E60	R50-R54 WeakPolarHBondContact O-CB 3.38Å; R50-R54 PolarHBondContact O-N 2.83Å; E51-R54 WeakPolarHBondContact O-CB 3.36Å; E51-R54 PolarHBondContact O-N 3.13Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.97Å; R54-Q56 PolarHBondContact O-N 3.3Å; R54-K57 PolarHBondContact O-N 3.49Å; R54-K57 VanDerWaalsContact O-N 3.12Å; R54-S58 PolarHBondContact O-N 2.98Å; R54-S58 PolarHBondContact O-OG 2.89Å; R54-E60 IonicContact NH2-OE1 2.74Å; R54-E60 PolarHBondContact NH2-OE1 3.05Å
55	Y	97.8	Very high	97.4	Very high	91 Å²	91	103.3 Å²	103.3	36%	0.357	50%	0.499	S	S	.	.	H	α-helix	trans	-70.1	-31.3	-174.4	-63.2	-51.7	0	0	0	113	E51 I52 K57 S58 L62	E51-Y55 HydrophobicContact CB-CD2 4.29Å; E51-Y55 HydrophobicContact CB-CE2 4.02Å; E51-Y55 HydrophobicContact CG-CE2 4.49Å; E51-Y55 WeakPolarHBondContact O-CD2 3.41Å; E51-Y55 PolarHBondContact O-N 3.36Å; I52-Y55 PolarHBondContact O-N 3.21Å; Y55-K57 PolarHBondContact O-N 2.95Å; Y55-S58 WeakPolarHBondContact CA-OG 3.36Å; Y55-S58 PolarHBondContact O-N 3.29Å; Y55-S58 PolarHBondContact O-OG 3.04Å; Y55-L62 HydrophobicContact CD1-CD2 3.69Å; Y55-L62 HydrophobicContact CE1-CD2 3.81Å; Y55-L62 HydrophobicContact CG-CD2 4.47Å
56	Q	97.3	Very high	97.4	Very high	152 Å²	152	105.9 Å²	105.9	71%	0.71	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.1	172	-75.6	-178.9	-29.5	0	0	114	I52 R54	I52-Q56 HydrophobicContact CG2-CG 4.35Å; I52-Q56 WeakPolarHBondContact O-CB 3.1Å; I52-Q56 VanDerWaalsContact O-CG 3.3Å; I52-Q56 WeakPolarHBondContact O-CG 3.42Å; I52-Q56 PolarHBondContact O-N 3.03Å; R54-Q56 PolarHBondContact O-N 3.3Å
57	K	98	Very high	97.5	Very high	186 Å²	186	106.6 Å²	106.6	81%	0.809	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-21.1	178.2	-74.5	-179.2	178.7	-167.2	0	113.3	R53 R54 Y55	R53-K57 VanDerWaalsContact O-CG 3.29Å; R53-K57 WeakPolarHBondContact O-CG 3.43Å; R54-K57 PolarHBondContact O-N 3.49Å; R54-K57 VanDerWaalsContact O-N 3.12Å; Y55-K57 PolarHBondContact O-N 2.95Å
58	S	96.7	Very high	97.5	Very high	41 Å²	41	105.1 Å²	105.1	29%	0.287	50%	0.497	S	S	.	.			trans	-99.8	158.1	-178.1	57.8	0	0	0	0	111.1	R54 Y55	R54-S58 PolarHBondContact O-N 2.98Å; R54-S58 PolarHBondContact O-OG 2.89Å; Y55-S58 WeakPolarHBondContact CA-OG 3.36Å; Y55-S58 PolarHBondContact O-N 3.29Å; Y55-S58 PolarHBondContact O-OG 3.04Å
59	T	96.6	Very high	97.5	Very high	149 Å²	149	106.3 Å²	106.3	91%	0.914	50%	0.495	S	S	*	.			trans	-117.6	20.1	172.9	61.5	0	0	0	0	111.7
60	E	96.5	Very high	97.5	Very high	102 Å²	102	109.4 Å²	109.4	48%	0.477	50%	0.5	S	S	.	.			trans	-71.6	140.7	178.7	65.2	-177	171.4	0	0	110.9	R54 L62	R54-E60 IonicContact NH2-OE1 2.74Å; R54-E60 PolarHBondContact NH2-OE1 3.05Å; E60-L62 HydrophobicContact CG-CD2 4.23Å; E60-L62 PolarHBondContact O-N 3.47Å
61	L	97.1	Very high	97.5	Very high	58 Å²	58	107.9 Å²	107.9	30%	0.304	50%	0.5	S	S	.	.			trans	-68.5	129.8	172.6	-64.8	173.9	0	0	0	110	Q94 E95 E98	L61-Q94 HydrophobicContact CD1-CG 4.1Å; L61-Q94 HydrophobicContact CD2-CG 4.43Å; L61-E95 HydrophobicContact CD1-CG 4.47Å; L61-E95 HydrophobicContact CD2-CG 4.07Å; L61-E98 WeakPolarHBondContact CA-OE2 3.37Å
62	L	97.6	Very high	97.5	Very high	94 Å²	94	104.4 Å²	104.4	49%	0.492	49%	0.485	S	S	.	.			trans	-92.4	-26.1	-172.9	-56.8	-178	0	0	0	112.4	Y55 E60 E98	Y55-L62 HydrophobicContact CD1-CD2 3.69Å; Y55-L62 HydrophobicContact CE1-CD2 3.81Å; Y55-L62 HydrophobicContact CG-CD2 4.47Å; E60-L62 HydrophobicContact CG-CD2 4.23Å; E60-L62 PolarHBondContact O-N 3.47Å; L62-E98 PolarHBondContact N-OE1 3.4Å; L62-E98 PolarHBondContact N-OE2 3Å
63	I	97.6	Very high	97.4	Very high	64 Å²	64	104.7 Å²	104.7	33%	0.328	48%	0.48	S	S	.	.	S	Bend	trans	-81.2	134.9	176.1	-55.9	177.2	0	0	0	109.1	K65 F68 Q94 E98 L101	I63-K65 PolarHBondContact O-N 2.9Å; I63-F68 HydrophobicContact CG2-CB 3.95Å; I63-F68 HydrophobicContact CG2-CD2 4.19Å; I63-F68 HydrophobicContact CG2-CG 4.48Å; I63-Q94 PolarHBondContact O-NE2 3.22Å; I63-E98 HydrophobicContact CB-CG 4.49Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.3Å; I63-E98 HydrophobicContact CD1-CG 3.73Å; I63-E98 HydrophobicContact CG1-CG 3.93Å; I63-E98 PolarHBondContact N-OE1 3.11Å; I63-L101 HydrophobicContact CD1-CD1 4.39Å
64	R	98	Very high	97.3	Very high	206 Å²	206	102.8 Å²	102.8	78%	0.777	48%	0.478	S	S	*	.			trans	-64.2	128.3	176.9	-65.7	-178.2	-179.1	-177	1	110.1	L66 P67 F68	R64-L66 PolarHBondContact O-N 3.36Å; R64-P67 HydrophobicContact CB-CG 3.94Å; R64-P67 WeakPolarHBondContact O-CD 3.49Å; R64-F68 PolarHBondContact O-N 3.46Å; R64-F68 VanDerWaalsContact O-N 3.16Å
65	K	96.4	Very high	97.3	Very high	125 Å²	125	100.1 Å²	100.1	54%	0.543	47%	0.474	S	S	.	.	H	α-helix	trans	-53.8	-47.3	-176	-68.7	-178.9	176.6	-75.4	0	114.2	I63 F68 Q69	I63-K65 PolarHBondContact O-N 2.9Å; K65-F68 PolarHBondContact O-N 3.45Å; K65-Q69 WeakPolarHBondContact O-CB 3.49Å; K65-Q69 PolarHBondContact O-N 3.31Å
66	L	97.1	Very high	97.3	Very high	95 Å²	95	96.5 Å²	96.5	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-68	-48.9	-175.5	176.3	65.6	0	0	0	113.3	R64 F68 Q69 R70	R64-L66 PolarHBondContact O-N 3.36Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3.43Å; L66-Q69 PolarHBondContact O-N 3.39Å; L66-R70 WeakPolarHBondContact O-CG 3.4Å; L66-R70 PolarHBondContact O-N 3.29Å
67	P	98.2	Very high	97.2	Very high	72 Å²	72	93.7 Å²	93.7	47%	0.468	45%	0.45	S	S	.	.	H	α-helix	trans	-56.3	-43.5	171.3	-29.2	36	0	0	0	113.7	R64 Q69 R70 L71	R64-P67 HydrophobicContact CB-CG 3.94Å; R64-P67 WeakPolarHBondContact O-CD 3.49Å; P67-Q69 PolarHBondContact O-N 3.22Å; P67-R70 PolarHBondContact O-N 3.23Å; P67-L71 PolarHBondContact O-N 2.99Å; P67-L71 VanDerWaalsContact O-N 3.07Å
68	F	98.3	Very high	97.1	Very high	17 Å²	17	91.4 Å²	91.4	8%	0.075	45%	0.446	C	S	.	.	H	α-helix	trans	-61	-45.9	177.4	-175.1	-94.6	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 4.19Å; I63-F68 HydrophobicContact CG2-CG 4.48Å; R64-F68 PolarHBondContact O-N 3.46Å; R64-F68 VanDerWaalsContact O-N 3.16Å; K65-F68 PolarHBondContact O-N 3.45Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3.43Å; F68-R70 VanDerWaalsContact C-N 3.3Å; F68-R70 PolarHBondContact O-N 2.93Å; F68-L71 PolarHBondContact O-N 3.37Å; F68-V72 HydrophobicContact CD1-CG2 3.92Å; F68-V72 HydrophobicContact CE1-CG2 3.46Å; F68-V72 VanDerWaalsContact CE1-CG2 3.46Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CG2 3.49Å; F68-V72 PolarHBondContact O-N 2.89Å; F68-V90 HydrophobicContact CD1-CG1 4.3Å; F68-L93 HydrophobicContact CE1-CB 4.05Å; F68-L93 HydrophobicContact CZ-CB 4.16Å; F68-Q94 HydrophobicContact CD1-CB 3.71Å; F68-Q94 HydrophobicContact CD1-CG 3.93Å; F68-Q94 HydrophobicContact CD2-CG 4.35Å; F68-Q94 VanDerWaalsContact CE1-CA 3.4Å; F68-Q94 HydrophobicContact CE1-CB 3.47Å; F68-Q94 VanDerWaalsContact CE1-CB 3.47Å; F68-Q94 HydrophobicContact CE1-CG 4.06Å; F68-Q94 HydrophobicContact CE2-CG 4.45Å; F68-Q94 HydrophobicContact CG-CB 4.37Å; F68-Q94 HydrophobicContact CG-CG 4.09Å; F68-Q94 HydrophobicContact CZ-CB 3.94Å; F68-Q94 HydrophobicContact CZ-CG 4.33Å
69	Q	97	Very high	97.1	Very high	72 Å²	72	97.8 Å²	97.8	34%	0.336	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-39	176.1	-179.6	-178.1	-43.4	0	0	112.6	K65 L66 P67 R73 V90	K65-Q69 WeakPolarHBondContact O-CB 3.49Å; K65-Q69 PolarHBondContact O-N 3.31Å; L66-Q69 PolarHBondContact O-N 3.39Å; P67-Q69 PolarHBondContact O-N 3.22Å; Q69-R73 WeakPolarHBondContact O-CG 3.37Å; Q69-R73 PolarHBondContact O-N 3.47Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; Q69-V90 HydrophobicContact CB-CG1 4.04Å; Q69-V90 HydrophobicContact CG-CG1 4.2Å
70	R	97.6	Very high	97	Very high	166 Å²	166	97.2 Å²	97.2	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-63.4	-46.1	176.8	-72.6	176.6	-177.9	-177.1	-1.3	110.9	L66 P67 F68 V72 R73 E74	L66-R70 WeakPolarHBondContact O-CG 3.4Å; L66-R70 PolarHBondContact O-N 3.29Å; P67-R70 PolarHBondContact O-N 3.23Å; F68-R70 VanDerWaalsContact C-N 3.3Å; F68-R70 PolarHBondContact O-N 2.93Å; R70-V72 PolarHBondContact O-N 3.29Å; R70-R73 PolarHBondContact O-N 2.55Å; R70-E74 WeakPolarHBondContact O-CB 3.4Å; R70-E74 PolarHBondContact O-N 3.33Å
71	L	97.9	Very high	96.9	Very high	83 Å²	83	96.1 Å²	96.1	44%	0.435	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-44.3	176.8	179.1	63.8	0	0	0	112.2	P67 F68 R73 E74 I75	P67-L71 PolarHBondContact O-N 2.99Å; P67-L71 VanDerWaalsContact O-N 3.07Å; F68-L71 PolarHBondContact O-N 3.37Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.93Å; L71-E74 WeakPolarHBondContact O-CB 3.4Å; L71-E74 PolarHBondContact O-N 2.69Å; 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 3.29Å; L71-I75 PolarHBondContact O-N 3.43Å
72	V	97.5	Very high	96.7	Very high	19 Å²	19	100.2 Å²	100.2	12%	0.115	48%	0.476	C	S	.	.	H	α-helix	trans	-58.6	-42.3	176.6	168.5	0	0	0	0	111.2	F68 R70 A76 F85 L93	F68-V72 HydrophobicContact CD1-CG2 3.92Å; F68-V72 HydrophobicContact CE1-CG2 3.46Å; F68-V72 VanDerWaalsContact CE1-CG2 3.46Å; F68-V72 HydrophobicContact CZ-CG2 3.83Å; F68-V72 WeakPolarHBondContact O-CG2 3.49Å; F68-V72 PolarHBondContact O-N 2.89Å; R70-V72 PolarHBondContact O-N 3.29Å; V72-A76 VanDerWaalsContact O-CB 3.23Å; V72-A76 WeakPolarHBondContact O-CB 3.49Å; V72-A76 PolarHBondContact O-N 3.46Å; V72-F85 HydrophobicContact CG1-CD1 4.31Å; V72-F85 HydrophobicContact CG1-CE1 3.84Å; V72-F85 HydrophobicContact CG1-CZ 4.1Å; V72-L93 HydrophobicContact CG1-CD1 3.6Å; V72-L93 HydrophobicContact CG2-CD1 4.2Å
73	R	96.4	Very high	96.6	Very high	95 Å²	95	99 Å²	99	36%	0.358	47%	0.47	S	S	.	.	H	α-helix	trans	-71.2	-37.9	179.2	-71.2	177.4	-179.1	-78.3	0.3	112.5	Q69 R70 L71 A76 Q77 F85	Q69-R73 WeakPolarHBondContact O-CG 3.37Å; Q69-R73 PolarHBondContact O-N 3.47Å; Q69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.55Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.93Å; R73-A76 PolarHBondContact O-N 3.17Å; R73-Q77 WeakPolarHBondContact O-CB 3.31Å; R73-Q77 PolarHBondContact O-N 2.95Å; R73-F85 HydrophobicContact CG-CD2 4.31Å; R73-F85 HydrophobicContact CG-CE2 4.4Å
74	E	96.8	Very high	96.5	Very high	129 Å²	129	107.7 Å²	107.7	60%	0.603	50%	0.499	S	S	*	.	H	α-helix	trans	-58.5	-54.2	174.3	-176.6	-177	154.9	0	0	110.6	R70 L71 A76 Q77	R70-E74 WeakPolarHBondContact O-CB 3.4Å; R70-E74 PolarHBondContact O-N 3.33Å; L71-E74 WeakPolarHBondContact O-CB 3.4Å; L71-E74 PolarHBondContact O-N 2.69Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.91Å; E74-Q77 WeakPolarHBondContact O-CB 3.38Å; E74-Q77 PolarHBondContact O-N 3.46Å
75	I	97.3	Very high	96.4	Very high	87 Å²	87	100.5 Å²	100.5	45%	0.446	47%	0.474	S	S	.	.	H	α-helix	trans	-61.6	-41.8	178.8	-65.4	169.3	0	0	0	111.3	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 3.29Å; L71-I75 PolarHBondContact O-N 3.43Å; I75-Q77 VanDerWaalsContact C-N 3.28Å; I75-Q77 PolarHBondContact O-N 3.01Å; I75-D78 PolarHBondContact O-N 3.37Å; I75-F79 HydrophobicContact CG2-CE2 3.96Å; I75-F79 WeakPolarHBondContact O-CD2 3.19Å; I75-F79 WeakPolarHBondContact O-CE2 3.5Å
76	A	97	Very high	96.5	Very high	14 Å²	14	101.5 Å²	101.5	12%	0.116	48%	0.48	C	S	.	.	H	α-helix	trans	-66	-31.7	-178.9	0	0	0	0	0	113.2	V72 R73 E74 D78 F79 K80 L83 F85	V72-A76 VanDerWaalsContact O-CB 3.23Å; V72-A76 WeakPolarHBondContact O-CB 3.49Å; V72-A76 PolarHBondContact O-N 3.46Å; R73-A76 PolarHBondContact O-N 3.17Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.91Å; A76-D78 PolarHBondContact O-N 3.14Å; A76-F79 PolarHBondContact O-N 3.33Å; A76-F79 VanDerWaalsContact O-N 3.16Å; A76-K80 PolarHBondContact O-N 3.15Å; A76-K80 VanDerWaalsContact O-N 3.08Å; A76-L83 HydrophobicContact CB-CD1 4.05Å; A76-F85 HydrophobicContact CB-CE2 3.84Å; A76-F85 HydrophobicContact CB-CZ 3.48Å; A76-F85 VanDerWaalsContact CB-CZ 3.48Å
77	Q	96	Very high	96.4	Very high	94 Å²	94	101.8 Å²	101.8	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-31.8	178.7	-172.1	69.7	20.3	0	0	111.9	R73 E74 I75 F79 T81	R73-Q77 WeakPolarHBondContact O-CB 3.31Å; R73-Q77 PolarHBondContact O-N 2.95Å; E74-Q77 WeakPolarHBondContact O-CB 3.38Å; E74-Q77 PolarHBondContact O-N 3.46Å; I75-Q77 VanDerWaalsContact C-N 3.28Å; I75-Q77 PolarHBondContact O-N 3.01Å; Q77-F79 PolarHBondContact O-N 3.12Å; Q77-T81 VanDerWaalsContact NE2-CG2 3.27Å
78	D	96.4	Very high	96.3	Very high	137 Å²	137	101.7 Å²	101.7	73%	0.733	49%	0.491	S	S	*	.	H	α-helix	trans	-66.8	-24	177.7	-65.8	-22.4	0	0	0	112.9	I75 A76	I75-D78 PolarHBondContact O-N 3.37Å; A76-D78 PolarHBondContact O-N 3.14Å
79	F	96	Very high	96.3	Very high	175 Å²	175	102.5 Å²	102.5	77%	0.768	50%	0.501	S	S	*	.	H	α-helix	trans	-95.9	-41	179	-62.9	-82.7	0	0	0	112.7	I75 A76 Q77	I75-F79 HydrophobicContact CG2-CE2 3.96Å; I75-F79 WeakPolarHBondContact O-CD2 3.19Å; I75-F79 WeakPolarHBondContact O-CE2 3.5Å; A76-F79 PolarHBondContact O-N 3.33Å; A76-F79 VanDerWaalsContact O-N 3.16Å; Q77-F79 PolarHBondContact O-N 3.12Å
80	K	95.6	Very high	96.3	Very high	137 Å²	137	99.7 Å²	99.7	60%	0.596	49%	0.488	S	S	*	.			trans	-155.8	125.3	179.8	179.5	164.4	179.6	134.4	0	110.7	A76 L83	A76-K80 PolarHBondContact O-N 3.15Å; A76-K80 VanDerWaalsContact O-N 3.08Å; K80-L83 HydrophobicContact CB-CD1 3.98Å; K80-L83 HydrophobicContact CB-CD2 4.37Å; K80-L83 HydrophobicContact CB-CG 4.05Å; K80-L83 HydrophobicContact CD-CD2 3.96Å; K80-L83 HydrophobicContact CD-CG 4.49Å; K80-L83 HydrophobicContact CG-CD2 4.08Å; K80-L83 HydrophobicContact CG-CG 4.07Å; K80-L83 WeakPolarHBondContact O-CG 3.42Å
81	T	94.1	Very high	96.3	Very high	79 Å²	79	93.8 Å²	93.8	49%	0.485	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	155.2	174.4	68.3	0	0	0	0	111.4	Q77 L83	Q77-T81 VanDerWaalsContact NE2-CG2 3.27Å; T81-L83 VanDerWaalsContact C-N 3.32Å; T81-L83 PolarHBondContact O-N 3.37Å
82	D	92.7	Very high	96.3	Very high	144 Å²	144	92.5 Å²	92.5	77%	0.77	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	25.3	172.3	-51.4	-57.5	0	0	0	115.7
83	L	94.7	Very high	96.3	Very high	69 Å²	69	95.2 Å²	95.2	36%	0.361	49%	0.488	S	S	.	.			trans	-69.4	132.1	174.3	-73.6	176.7	0	0	0	112.7	A76 K80 T81 F85	A76-L83 HydrophobicContact CB-CD1 4.05Å; K80-L83 HydrophobicContact CB-CD1 3.98Å; K80-L83 HydrophobicContact CB-CD2 4.37Å; K80-L83 HydrophobicContact CB-CG 4.05Å; K80-L83 HydrophobicContact CD-CD2 3.96Å; K80-L83 HydrophobicContact CD-CG 4.49Å; K80-L83 HydrophobicContact CG-CD2 4.08Å; K80-L83 HydrophobicContact CG-CG 4.07Å; K80-L83 WeakPolarHBondContact O-CG 3.42Å; T81-L83 VanDerWaalsContact C-N 3.32Å; T81-L83 PolarHBondContact O-N 3.37Å; L83-F85 HydrophobicContact CB-CE2 4.02Å
84	R	95.6	Very high	96.4	Very high	246 Å²	246	90.9 Å²	90.9	93%	0.928	47%	0.471	S	S	*	.			trans	-99	138.7	168	-73.9	-178.1	151	-162.9	-5.4	110.1
85	F	96.1	Very high	96.4	Very high	56 Å²	56	90.3 Å²	90.3	25%	0.246	47%	0.469	C	S	.	.			trans	-113.4	133	178.3	-74.6	-95.6	0	0	0	109.9	V72 R73 A76 L83 V90 L93	V72-F85 HydrophobicContact CG1-CD1 4.31Å; V72-F85 HydrophobicContact CG1-CE1 3.84Å; V72-F85 HydrophobicContact CG1-CZ 4.1Å; R73-F85 HydrophobicContact CG-CD2 4.31Å; R73-F85 HydrophobicContact CG-CE2 4.4Å; A76-F85 HydrophobicContact CB-CE2 3.84Å; A76-F85 HydrophobicContact CB-CZ 3.48Å; A76-F85 VanDerWaalsContact CB-CZ 3.48Å; L83-F85 HydrophobicContact CB-CE2 4.02Å; F85-V90 HydrophobicContact CB-CG2 3.84Å; F85-V90 HydrophobicContact CD1-CG2 4.27Å; F85-V90 HydrophobicContact CG-CG2 4.28Å; F85-L93 HydrophobicContact CE1-CD1 4.49Å
86	Q	97.3	Very high	96.5	Very high	145 Å²	145	89.2 Å²	89.2	68%	0.678	47%	0.473	S	S	*	.			trans	-65.4	149.9	162	-66.2	177.9	-55.9	0	0	109.5	S88 A89 V90	Q86-S88 VanDerWaalsContact C-N 3.27Å; Q86-S88 PolarHBondContact O-N 3.31Å; Q86-A89 HydrophobicContact CB-CB 4.16Å; Q86-A89 WeakPolarHBondContact O-CB 3.39Å; Q86-A89 PolarHBondContact O-N 2.9Å; Q86-V90 PolarHBondContact O-N 3.47Å
87	S	95.3	Very high	96.5	Very high	102 Å²	102	90.6 Å²	90.6	71%	0.713	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-35.6	175.7	52.4	0	0	0	0	112.3	S91	S87-S91 PolarHBondContact O-N 3.38Å; S87-S91 VanDerWaalsContact O-N 3.13Å; S87-S91 PolarHBondContact O-OG 3.34Å
88	S	97.4	Very high	96.7	Very high	69 Å²	69	87.1 Å²	87.1	48%	0.483	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-39.4	173.5	52.1	0	0	0	0	112.2	Q86 V90 S91 A92	Q86-S88 VanDerWaalsContact C-N 3.27Å; Q86-S88 PolarHBondContact O-N 3.31Å; S88-V90 PolarHBondContact O-N 3.5Å; S88-S91 PolarHBondContact O-N 3.36Å; S88-A92 WeakPolarHBondContact O-CB 3.45Å; S88-A92 PolarHBondContact O-N 2.92Å
89	A	97.6	Very high	96.7	Very high	34 Å²	34	83.7 Å²	83.7	28%	0.281	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-44.8	178.5	0	0	0	0	0	111.9	Q86 S91 A92 L93	Q86-A89 HydrophobicContact CB-CB 4.16Å; Q86-A89 WeakPolarHBondContact O-CB 3.39Å; Q86-A89 PolarHBondContact O-N 2.9Å; A89-S91 VanDerWaalsContact C-N 3.31Å; A89-S91 PolarHBondContact O-N 3.31Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-L93 WeakPolarHBondContact O-CG 3.47Å; A89-L93 PolarHBondContact O-N 3.36Å
90	V	96.9	Very high	96.8	Very high	13 Å²	13	79.9 Å²	79.9	8%	0.079	44%	0.437	C	S	.	.	H	α-helix	trans	-65.1	-38.1	175.9	-177.3	0	0	0	0	111.1	F68 Q69 F85 Q86 S88 L93 Q94	F68-V90 HydrophobicContact CD1-CG1 4.3Å; Q69-V90 HydrophobicContact CB-CG1 4.04Å; Q69-V90 HydrophobicContact CG-CG1 4.2Å; F85-V90 HydrophobicContact CB-CG2 3.84Å; F85-V90 HydrophobicContact CD1-CG2 4.27Å; F85-V90 HydrophobicContact CG-CG2 4.28Å; Q86-V90 PolarHBondContact O-N 3.47Å; S88-V90 PolarHBondContact O-N 3.5Å; V90-L93 PolarHBondContact O-N 2.96Å; V90-Q94 PolarHBondContact O-N 2.73Å
91	S	97.1	Very high	96.9	Very high	43 Å²	43	76.6 Å²	76.6	30%	0.301	43%	0.426	S	S	.	.	H	α-helix	trans	-67.2	-42.4	178.4	-56.4	0	0	0	0	111.9	S87 S88 A89 Q94 E95	S87-S91 PolarHBondContact O-N 3.38Å; S87-S91 VanDerWaalsContact O-N 3.13Å; S87-S91 PolarHBondContact O-OG 3.34Å; S88-S91 PolarHBondContact O-N 3.36Å; A89-S91 VanDerWaalsContact C-N 3.31Å; A89-S91 PolarHBondContact O-N 3.31Å; S91-Q94 WeakPolarHBondContact O-CB 3.41Å; S91-Q94 PolarHBondContact O-N 3.16Å; S91-Q94 VanDerWaalsContact O-N 3.15Å; S91-E95 PolarHBondContact O-N 3.33Å
92	A	98.1	Very high	97.1	Very high	56 Å²	56	76.4 Å²	76.4	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176	0	0	0	0	0	111.9	S88 A89 Q94 E95 A96	S88-A92 WeakPolarHBondContact O-CB 3.45Å; S88-A92 PolarHBondContact O-N 2.92Å; A89-A92 PolarHBondContact O-N 3.49Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.04Å; A92-E95 PolarHBondContact O-N 3.23Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.29Å
93	L	98.1	Very high	97.3	Very high	76 Å²	76	70.4 Å²	70.4	40%	0.398	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-40	173.2	-72.7	171.1	0	0	0	111.6	F68 V72 F85 A89 V90 S97	F68-L93 HydrophobicContact CE1-CB 4.05Å; F68-L93 HydrophobicContact CZ-CB 4.16Å; V72-L93 HydrophobicContact CG1-CD1 3.6Å; V72-L93 HydrophobicContact CG2-CD1 4.2Å; F85-L93 HydrophobicContact CE1-CD1 4.49Å; A89-L93 WeakPolarHBondContact O-CG 3.47Å; A89-L93 PolarHBondContact O-N 3.36Å; V90-L93 PolarHBondContact O-N 2.96Å; L93-S97 VanDerWaalsContact O-CB 3.26Å; L93-S97 WeakPolarHBondContact O-CB 3.29Å; L93-S97 PolarHBondContact O-N 3.46Å; L93-S97 PolarHBondContact O-OG 3.45Å
94	Q	98.1	Very high	97.4	Very high	3 Å²	3	67.8 Å²	67.8	1%	0.014	38%	0.383	C	S	.	.	H	α-helix	trans	-66.4	-49.2	178.7	-168	174.5	-12.3	0	0	111.7	L61 I63 F68 V90 S91 A92 A96 S97 E98	L61-Q94 HydrophobicContact CD1-CG 4.1Å; L61-Q94 HydrophobicContact CD2-CG 4.43Å; I63-Q94 PolarHBondContact O-NE2 3.22Å; F68-Q94 HydrophobicContact CD1-CB 3.71Å; F68-Q94 HydrophobicContact CD1-CG 3.93Å; F68-Q94 HydrophobicContact CD2-CG 4.35Å; F68-Q94 VanDerWaalsContact CE1-CA 3.4Å; F68-Q94 HydrophobicContact CE1-CB 3.47Å; F68-Q94 VanDerWaalsContact CE1-CB 3.47Å; F68-Q94 HydrophobicContact CE1-CG 4.06Å; F68-Q94 HydrophobicContact CE2-CG 4.45Å; F68-Q94 HydrophobicContact CG-CB 4.37Å; F68-Q94 HydrophobicContact CG-CG 4.09Å; F68-Q94 HydrophobicContact CZ-CB 3.94Å; F68-Q94 HydrophobicContact CZ-CG 4.33Å; V90-Q94 PolarHBondContact O-N 2.73Å; S91-Q94 WeakPolarHBondContact O-CB 3.41Å; S91-Q94 PolarHBondContact O-N 3.16Å; S91-Q94 VanDerWaalsContact O-N 3.15Å; A92-Q94 VanDerWaalsContact C-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.04Å; Q94-A96 PolarHBondContact O-N 3.01Å; Q94-S97 PolarHBondContact O-N 3.35Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 PolarHBondContact NE2-OE1 2.94Å; Q94-E98 WeakPolarHBondContact O-CG 3.35Å; Q94-E98 PolarHBondContact O-N 3.44Å
95	E	98	Very high	97.5	Very high	118 Å²	118	60.9 Å²	60.9	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-57.2	-48.3	177.4	-75.2	177.6	-162.7	0	0	111.4	L61 S91 A92 S97 A99	L61-E95 HydrophobicContact CD1-CG 4.47Å; L61-E95 HydrophobicContact CD2-CG 4.07Å; S91-E95 PolarHBondContact O-N 3.33Å; A92-E95 PolarHBondContact O-N 3.23Å; E95-S97 PolarHBondContact O-N 3.07Å; E95-A99 VanDerWaalsContact O-CB 3.31Å; E95-A99 WeakPolarHBondContact O-CB 3.3Å; E95-A99 PolarHBondContact O-N 2.89Å
96	A	98.2	Very high	97.6	Very high	64 Å²	64	63.7 Å²	63.7	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-41.8	179	0	0	0	0	0	112.6	A92 Q94 Y100	A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.29Å; Q94-A96 PolarHBondContact O-N 3.01Å; A96-Y100 WeakPolarHBondContact O-CB 3.34Å; A96-Y100 PolarHBondContact O-N 3.18Å
97	S	98.1	Very high	97.6	Very high	43 Å²	43	59.2 Å²	59.2	30%	0.301	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-45	180	-59.7	0	0	0	0	111.9	L93 Q94 E95 Y100 L101	L93-S97 VanDerWaalsContact O-CB 3.26Å; L93-S97 WeakPolarHBondContact O-CB 3.29Å; L93-S97 PolarHBondContact O-N 3.46Å; L93-S97 PolarHBondContact O-OG 3.45Å; Q94-S97 PolarHBondContact O-N 3.35Å; E95-S97 PolarHBondContact O-N 3.07Å; S97-Y100 PolarHBondContact O-N 2.87Å; S97-L101 VanDerWaalsContact O-CG 3.31Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 2.91Å
98	E	98.3	Very high	97.8	Very high	20 Å²	20	54.4 Å²	54.4	9%	0.093	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-41.9	178.8	-70.2	-166.6	-148.5	0	0	111.5	L61 L62 I63 Q94 Y100 L101 V102	L61-E98 WeakPolarHBondContact CA-OE2 3.37Å; L62-E98 PolarHBondContact N-OE1 3.4Å; L62-E98 PolarHBondContact N-OE2 3Å; I63-E98 HydrophobicContact CB-CG 4.49Å; I63-E98 VanDerWaalsContact CB-OE1 3.3Å; I63-E98 WeakPolarHBondContact CB-OE1 3.3Å; I63-E98 HydrophobicContact CD1-CG 3.73Å; I63-E98 HydrophobicContact CG1-CG 3.93Å; I63-E98 PolarHBondContact N-OE1 3.11Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 PolarHBondContact NE2-OE1 2.94Å; Q94-E98 WeakPolarHBondContact O-CG 3.35Å; Q94-E98 PolarHBondContact O-N 3.44Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 3.48Å; E98-L101 PolarHBondContact O-N 3.45Å; E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.43Å; E98-V102 PolarHBondContact O-N 3.49Å
99	A	97.8	Very high	97.8	Very high	66 Å²	66	54.4 Å²	54.4	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.7	0	0	0	0	0	112	E95 V102 G103	E95-A99 VanDerWaalsContact O-CB 3.31Å; E95-A99 WeakPolarHBondContact O-CB 3.3Å; E95-A99 PolarHBondContact O-N 2.89Å; A99-V102 PolarHBondContact O-N 3.37Å; A99-G103 PolarHBondContact O-N 2.95Å
100	Y	97.5	Very high	97.8	Very high	95 Å²	95	58 Å²	58	37%	0.373	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-47.4	175.8	171	-97.9	0	0	0	112	A96 S97 E98 G103 L104 E134	A96-Y100 WeakPolarHBondContact O-CB 3.34Å; A96-Y100 PolarHBondContact O-N 3.18Å; S97-Y100 PolarHBondContact O-N 2.87Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 3.48Å; Y100-G103 PolarHBondContact O-N 3.43Å; Y100-L104 HydrophobicContact CE1-CD2 4.13Å; Y100-L104 WeakPolarHBondContact O-CB 3.26Å; Y100-L104 PolarHBondContact O-N 3.25Å; Y100-E134 WeakPolarHBondContact CE2-OE1 3.43Å; Y100-E134 PolarHBondContact OH-OE2 2.67Å
101	L	97.8	Very high	97.9	Very high	67 Å²	67	58.1 Å²	58.1	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-42	180	-72	175.3	0	0	0	112.1	I63 S97 E98 L104 F105	I63-L101 HydrophobicContact CD1-CD1 4.39Å; S97-L101 VanDerWaalsContact O-CG 3.31Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 2.91Å; E98-L101 PolarHBondContact O-N 3.45Å; L101-L104 PolarHBondContact O-N 3.3Å; L101-F105 HydrophobicContact CB-CE2 4.47Å; L101-F105 WeakPolarHBondContact O-CD2 3.28Å; L101-F105 PolarHBondContact O-N 2.93Å
102	V	97.7	Very high	97.9	Very high	76 Å²	76	56 Å²	56	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-51.2	175.7	170.4	0	0	0	0	110.2	E98 A99 L104 F105 E106	E98-V102 VanDerWaalsContact O-CG2 3.29Å; E98-V102 WeakPolarHBondContact O-CG2 3.43Å; E98-V102 PolarHBondContact O-N 3.49Å; A99-V102 PolarHBondContact O-N 3.37Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.88Å; V102-F105 PolarHBondContact O-N 3.24Å; V102-F105 VanDerWaalsContact O-N 3.11Å; V102-E106 WeakPolarHBondContact O-CG 3.07Å; V102-E106 PolarHBondContact O-N 3.22Å
103	G	97	Very high	97.9	Very high	18 Å²	18	57.9 Å²	57.9	19%	0.186	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-40.4	177.1	0	0	0	0	0	112.5	A99 Y100 F105 E106 D107 R132	A99-G103 PolarHBondContact O-N 2.95Å; Y100-G103 PolarHBondContact O-N 3.43Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.97Å; G103-E106 WeakPolarHBondContact O-CB 3.35Å; G103-E106 PolarHBondContact O-N 3.25Å; G103-D107 PolarHBondContact O-N 3.03Å; G103-R132 PolarHBondContact O-NH2 3.3Å
104	L	97.5	Very high	97.9	Very high	14 Å²	14	62.1 Å²	62.1	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-38.3	176.1	179.1	60.9	0	0	0	111.8	Y100 L101 V102 D107 T108 I125 A128 R129	Y100-L104 HydrophobicContact CE1-CD2 4.13Å; Y100-L104 WeakPolarHBondContact O-CB 3.26Å; Y100-L104 PolarHBondContact O-N 3.25Å; L101-L104 PolarHBondContact O-N 3.3Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.88Å; L104-D107 PolarHBondContact O-N 3.06Å; L104-T108 VanDerWaalsContact O-CB 3.28Å; L104-T108 WeakPolarHBondContact O-CB 3.46Å; L104-T108 PolarHBondContact O-N 3.42Å; L104-T108 PolarHBondContact O-OG1 2.92Å; L104-I125 HydrophobicContact CD2-CG2 4.16Å; L104-A128 HydrophobicContact CD1-CB 4.1Å; L104-R129 HydrophobicContact CD1-CG 3.8Å; L104-R129 HydrophobicContact CD2-CG 4.47Å
105	F	98.2	Very high	97.9	Very high	100 Å²	100	64.2 Å²	64.2	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-69.5	-31.6	176.2	-79.7	-58.1	0	0	0	113	L101 V102 G103 T108 N109 I120	L101-F105 HydrophobicContact CB-CE2 4.47Å; L101-F105 WeakPolarHBondContact O-CD2 3.28Å; L101-F105 PolarHBondContact O-N 2.93Å; V102-F105 PolarHBondContact O-N 3.24Å; V102-F105 VanDerWaalsContact O-N 3.11Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.97Å; F105-T108 PolarHBondContact O-N 3.35Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.47Å; F105-N109 PolarHBondContact O-N 3.45Å; F105-I120 HydrophobicContact CD1-CD1 3.84Å; F105-I120 HydrophobicContact CE1-CD1 3.87Å
106	E	97.8	Very high	97.9	Very high	116 Å²	116	68.2 Å²	68.2	54%	0.542	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-50.8	171.7	-69.8	176.6	178.1	0	0	110.9	V102 G103 T108 N109 L110	V102-E106 WeakPolarHBondContact O-CG 3.07Å; V102-E106 PolarHBondContact O-N 3.22Å; G103-E106 WeakPolarHBondContact O-CB 3.35Å; G103-E106 PolarHBondContact O-N 3.25Å; E106-T108 VanDerWaalsContact C-N 3.35Å; E106-T108 PolarHBondContact O-N 3.35Å; E106-N109 WeakPolarHBondContact O-CB 3.36Å; E106-N109 PolarHBondContact O-N 2.97Å; E106-L110 WeakPolarHBondContact O-CG 3.48Å; E106-L110 PolarHBondContact O-N 3Å
107	D	97.9	Very high	97.9	Very high	51 Å²	51	67.4 Å²	67.4	27%	0.273	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-39.6	177.5	-70.5	-13	0	0	0	112.5	G103 L104 N109 L110 C111 A128 R132	G103-D107 PolarHBondContact O-N 3.03Å; L104-D107 PolarHBondContact O-N 3.06Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.38Å; D107-L110 WeakPolarHBondContact O-CB 3.3Å; D107-L110 PolarHBondContact O-N 2.77Å; D107-C111 PolarHBondContact O-N 3.1Å; D107-C111 PolarHBondContact O-SG 3.32Å; D107-A128 HydrophobicContact CB-CB 3.83Å; D107-R132 IonicContact OD2-CZ 3.11Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.24Å; D107-R132 IonicContact OD2-NH2 2.69Å; D107-R132 PolarHBondContact OD2-NH2 3.08Å
108	T	98.3	Very high	97.9	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.3	-40.9	175.7	-61	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 3.46Å; L104-T108 PolarHBondContact O-N 3.42Å; L104-T108 PolarHBondContact O-OG1 2.92Å; F105-T108 PolarHBondContact O-N 3.35Å; E106-T108 VanDerWaalsContact C-N 3.35Å; E106-T108 PolarHBondContact O-N 3.35Å; T108-C111 WeakPolarHBondContact O-CB 3.31Å; T108-C111 PolarHBondContact O-N 3.31Å; T108-A112 PolarHBondContact O-N 3.16Å; T108-I120 HydrophobicContact CG2-CB 3.89Å; T108-I120 HydrophobicContact CG2-CG2 3.89Å; T108-D124 HydrophobicContact CG2-CB 3.62Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å
109	N	98.1	Very high	97.9	Very high	70 Å²	70	75.2 Å²	75.2	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-41.3	176.6	-176.2	53.3	0	0	0	111.3	F105 E106 D107 C111 A112 I113 I120	F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.47Å; F105-N109 PolarHBondContact O-N 3.45Å; E106-N109 WeakPolarHBondContact O-CB 3.36Å; E106-N109 PolarHBondContact O-N 2.97Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.38Å; N109-C111 VanDerWaalsContact C-N 3.33Å; N109-C111 PolarHBondContact O-N 2.91Å; N109-A112 PolarHBondContact O-N 2.9Å; N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.34Å; N109-I113 PolarHBondContact O-N 3.45Å; N109-I120 HydrophobicContact CB-CG2 4.49Å
110	L	98.1	Very high	97.9	Very high	109 Å²	109	75.4 Å²	75.4	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-59.8	-42	172.9	-66.5	177.4	0	0	0	111.9	E106 D107 A112 I113 H114	E106-L110 WeakPolarHBondContact O-CG 3.48Å; E106-L110 PolarHBondContact O-N 3Å; D107-L110 WeakPolarHBondContact O-CB 3.3Å; D107-L110 PolarHBondContact O-N 2.77Å; L110-A112 PolarHBondContact O-N 3.45Å; L110-I113 PolarHBondContact O-N 2.74Å; L110-H114 WeakPolarHBondContact O-CB 3.44Å; L110-H114 PolarHBondContact O-N 2.88Å
111	C	97.9	Very high	97.9	Very high	15 Å²	15	74.5 Å²	74.5	10%	0.101	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-40.3	175.1	-67.9	0	0	0	0	112.5	D107 T108 N109 H114 A115 D124 L127	D107-C111 PolarHBondContact O-N 3.1Å; D107-C111 PolarHBondContact O-SG 3.32Å; T108-C111 WeakPolarHBondContact O-CB 3.31Å; T108-C111 PolarHBondContact O-N 3.31Å; N109-C111 VanDerWaalsContact C-N 3.33Å; N109-C111 PolarHBondContact O-N 2.91Å; C111-H114 PolarHBondContact O-N 3.26Å; C111-A115 PolarHBondContact O-N 3.26Å; C111-A115 VanDerWaalsContact O-N 3.16Å; C111-D124 HydrophobicContact CB-CB 3.95Å; C111-L127 HydrophobicContact CB-CD2 4.22Å
112	A	98.3	Very high	97.9	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-44.9	176.2	0	0	0	0	0	111.8	T108 N109 L110 A115 K116 R117 I120	T108-A112 PolarHBondContact O-N 3.16Å; N109-A112 PolarHBondContact O-N 2.9Å; L110-A112 PolarHBondContact O-N 3.45Å; A112-A115 CarbonylContact O-C 3.45Å; A112-A115 PolarHBondContact O-N 3.17Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A112-K116 PolarHBondContact O-N 2.95Å; A112-R117 CarbonylContact C-O 3.27Å; A112-R117 VanDerWaalsContact C-O 3.27Å; A112-R117 PolarHBondContact O-N 3.41Å; A112-R117 VanDerWaalsContact O-O 3.08Å; A112-I120 HydrophobicContact CB-CG2 4.06Å
113	I	98.2	Very high	97.9	Very high	95 Å²	95	77.8 Å²	77.8	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-43.2	176.7	-68.6	167.3	0	0	0	110.6	N109 L110 A115 K116 R117	N109-I113 VanDerWaalsContact O-CG1 3.31Å; N109-I113 WeakPolarHBondContact O-CG1 3.34Å; N109-I113 PolarHBondContact O-N 3.45Å; L110-I113 PolarHBondContact O-N 2.74Å; I113-A115 PolarHBondContact O-N 3.16Å; I113-K116 WeakPolarHBondContact O-CA 3.42Å; I113-K116 PolarHBondContact O-N 3.32Å; I113-R117 PolarHBondContact N-O 3.32Å
114	H	97.8	Very high	97.9	Very high	165 Å²	165	77.2 Å²	77.2	76%	0.764	40%	0.397	S	S	*	.	H	α-helix	trans	-56.5	-37.8	175.9	-177.2	75.4	0	0	0	111.8	L110 C111 K116	L110-H114 WeakPolarHBondContact O-CB 3.44Å; L110-H114 PolarHBondContact O-N 2.88Å; C111-H114 PolarHBondContact O-N 3.26Å; H114-K116 PolarHBondContact O-N 3.35Å
115	A	97.9	Very high	97.9	Very high	47 Å²	47	79 Å²	79	39%	0.388	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	18.9	175.2	0	0	0	0	0	114.5	C111 A112 I113 R117	C111-A115 PolarHBondContact O-N 3.26Å; C111-A115 VanDerWaalsContact O-N 3.16Å; A112-A115 CarbonylContact O-C 3.45Å; A112-A115 PolarHBondContact O-N 3.17Å; A112-A115 VanDerWaalsContact O-N 3.17Å; I113-A115 PolarHBondContact O-N 3.16Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 2.68Å
116	K	98.2	Very high	97.8	Very high	201 Å²	201	80 Å²	80	87%	0.874	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	32	-179.5	-55.3	-179.3	-178.2	177.8	0	114.2	A112 I113 H114	A112-K116 PolarHBondContact O-N 2.95Å; I113-K116 WeakPolarHBondContact O-CA 3.42Å; I113-K116 PolarHBondContact O-N 3.32Å; H114-K116 PolarHBondContact O-N 3.35Å
117	R	98.1	Very high	97.8	Very high	48 Å²	48	78.2 Å²	78.2	18%	0.181	41%	0.406	C	S	.	.			trans	-118.2	155.7	176	-71.6	176.4	-70.7	106.8	-1.8	110.8	A112 I113 A115 T119 K123 D124	A112-R117 CarbonylContact C-O 3.27Å; A112-R117 VanDerWaalsContact C-O 3.27Å; A112-R117 PolarHBondContact O-N 3.41Å; A112-R117 VanDerWaalsContact O-O 3.08Å; I113-R117 PolarHBondContact N-O 3.32Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 2.68Å; R117-T119 PolarHBondContact NH1-O 2.96Å; R117-K123 VanDerWaalsContact NH2-CE 3.32Å; R117-D124 IonicContact CZ-OD1 3.37Å; R117-D124 IonicContact CZ-OD2 3.56Å; R117-D124 IonicContact NH1-OD1 3.45Å; R117-D124 IonicContact NH1-OD2 3.52Å; R117-D124 PolarHBondContact NH1-OD2 3.16Å; R117-D124 IonicContact NH2-OD1 3.57Å; R117-D124 PolarHBondContact NH2-OD1 3.1Å; R117-D124 IonicContact NH2-OD2 2.68Å; R117-D124 PolarHBondContact NH2-OD2 3.43Å
118	V	97	Very high	97.7	Very high	135 Å²	135	75.9 Å²	75.9	82%	0.818	39%	0.394	S	S	*	.	S	Bend	trans	-105.6	-12.7	170.5	-63.6	0	0	0	0	112.7
119	T	98.2	Very high	97.6	Very high	91 Å²	91	80.9 Å²	80.9	56%	0.558	41%	0.413	S	S	*	.	S	Bend	trans	-100	119.8	178.6	-51.8	0	0	0	0	108.9	R117	R117-T119 PolarHBondContact NH1-O 2.96Å
120	I	97.9	Very high	97.5	Very high	71 Å²	71	84.1 Å²	84.1	36%	0.364	42%	0.42	S	S	.	.			trans	-67	144.2	172.5	60.5	172.6	0	0	0	110.8	F105 T108 N109 A112	F105-I120 HydrophobicContact CD1-CD1 3.84Å; F105-I120 HydrophobicContact CE1-CD1 3.87Å; T108-I120 HydrophobicContact CG2-CB 3.89Å; T108-I120 HydrophobicContact CG2-CG2 3.89Å; N109-I120 HydrophobicContact CB-CG2 4.49Å; A112-I120 HydrophobicContact CB-CG2 4.06Å
121	M	98.3	Very high	97.3	Very high	75 Å²	75	85 Å²	85	37%	0.369	42%	0.424	S	S	.	.			trans	-132.1	159.1	-179.1	-65	178.9	177.2	0	0	109.9	K123 D124	M121-K123 HydrophobicContact CB-CG 3.96Å; M121-K123 PolarHBondContact O-N 3.45Å; M121-K123 VanDerWaalsContact O-N 3.1Å; M121-K123 VanDerWaalsContact SD-CE 3.54Å; M121-D124 PolarHBondContact N-OD2 3.05Å; M121-D124 VanDerWaalsContact O-CB 3.29Å; M121-D124 WeakPolarHBondContact O-CB 3.29Å; M121-D124 PolarHBondContact O-N 3.18Å
122	P	97.9	Very high	97.2	Very high	96 Å²	96	88.4 Å²	88.4	62%	0.623	43%	0.434	S	S	*	.	H	α-helix	trans	-53.6	-33.9	177.9	-29.3	36.4	0	0	0	114.5	D124 I125 Q126	P122-D124 PolarHBondContact O-N 3.38Å; P122-I125 PolarHBondContact O-N 3.36Å; P122-Q126 WeakPolarHBondContact O-CG 3.29Å; P122-Q126 PolarHBondContact O-N 3.16Å
123	K	97.1	Very high	97	Very high	117 Å²	117	91.2 Å²	91.2	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-61.8	-29.4	175	63.7	178.6	179.3	-178.4	0	113.8	R117 M121 L127	R117-K123 VanDerWaalsContact NH2-CE 3.32Å; M121-K123 HydrophobicContact CB-CG 3.96Å; M121-K123 PolarHBondContact O-N 3.45Å; M121-K123 VanDerWaalsContact O-N 3.1Å; M121-K123 VanDerWaalsContact SD-CE 3.54Å; K123-L127 WeakPolarHBondContact O-CB 3.48Å; K123-L127 PolarHBondContact O-N 2.93Å
124	D	97.9	Very high	96.3	Very high	5 Å²	5	89.5 Å²	89.5	3%	0.027	45%	0.453	C	S	.	.	H	α-helix	trans	-73.1	-40.1	178.9	-55.8	-39	0	0	0	110	T108 C111 R117 M121 P122 L127 A128	T108-D124 HydrophobicContact CG2-CB 3.62Å; C111-D124 HydrophobicContact CB-CB 3.95Å; R117-D124 IonicContact CZ-OD1 3.37Å; R117-D124 IonicContact CZ-OD2 3.56Å; R117-D124 IonicContact NH1-OD1 3.45Å; R117-D124 IonicContact NH1-OD2 3.52Å; R117-D124 PolarHBondContact NH1-OD2 3.16Å; R117-D124 IonicContact NH2-OD1 3.57Å; R117-D124 PolarHBondContact NH2-OD1 3.1Å; R117-D124 IonicContact NH2-OD2 2.68Å; R117-D124 PolarHBondContact NH2-OD2 3.43Å; M121-D124 PolarHBondContact N-OD2 3.05Å; M121-D124 VanDerWaalsContact O-CB 3.29Å; M121-D124 WeakPolarHBondContact O-CB 3.29Å; M121-D124 PolarHBondContact O-N 3.18Å; P122-D124 PolarHBondContact O-N 3.38Å; D124-L127 PolarHBondContact O-N 3Å; D124-A128 WeakPolarHBondContact O-CB 3.32Å; D124-A128 PolarHBondContact O-N 3.5Å
125	I	97.1	Very high	94.9	Very high	53 Å²	53	88.4 Å²	88.4	27%	0.272	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-45.6	174	-60.9	175.6	0	0	0	110	L104 T108 P122 L127 A128 R129	L104-I125 HydrophobicContact CD2-CG2 4.16Å; T108-I125 HydrophobicContact CG2-CG1 3.53Å; P122-I125 PolarHBondContact O-N 3.36Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.42Å; I125-A128 PolarHBondContact O-N 3.27Å; I125-R129 HydrophobicContact CG2-CG 4.42Å; I125-R129 WeakPolarHBondContact O-CB 3.48Å; I125-R129 WeakPolarHBondContact O-CG 3.31Å; I125-R129 PolarHBondContact O-N 3.06Å
126	Q	96.4	Very high	92.7	Very high	120 Å²	120	94 Å²	94	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-61.2	-39.7	178	-70.8	171.4	2.2	0	0	112	P122 R130	P122-Q126 WeakPolarHBondContact O-CG 3.29Å; P122-Q126 PolarHBondContact O-N 3.16Å; Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.18Å; Q126-R130 PolarHBondContact O-N 3.41Å
127	L	96.2	Very high	92.5	Very high	79 Å²	79	88.7 Å²	88.7	41%	0.414	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-48.3	175.9	179.8	59.6	0	0	0	111.3	C111 K123 D124 I125 R129 R130 I131	C111-L127 HydrophobicContact CB-CD2 4.22Å; K123-L127 WeakPolarHBondContact O-CB 3.48Å; K123-L127 PolarHBondContact O-N 2.93Å; D124-L127 PolarHBondContact O-N 3Å; I125-L127 VanDerWaalsContact C-N 3.3Å; I125-L127 PolarHBondContact O-N 3.42Å; L127-R129 PolarHBondContact O-N 3.22Å; L127-R130 WeakPolarHBondContact O-CB 3.4Å; L127-R130 PolarHBondContact O-N 3.29Å; L127-R130 VanDerWaalsContact O-N 3.14Å; L127-I131 HydrophobicContact CD1-CD1 4Å; L127-I131 HydrophobicContact CD1-CG1 4.29Å; L127-I131 HydrophobicContact CG-CD1 4.02Å; L127-I131 WeakPolarHBondContact O-CG1 3.4Å; L127-I131 PolarHBondContact O-N 3.02Å
128	A	96.5	Very high	92.2	Very high	2 Å²	2	90.8 Å²	90.8	2%	0.017	48%	0.484	C	S	.	.	H	α-helix	trans	-56.8	-50.3	177.2	0	0	0	0	0	111.6	L104 D107 D124 I125 R130 I131 R132	L104-A128 HydrophobicContact CD1-CB 4.1Å; D107-A128 HydrophobicContact CB-CB 3.83Å; D124-A128 WeakPolarHBondContact O-CB 3.32Å; D124-A128 PolarHBondContact O-N 3.5Å; I125-A128 PolarHBondContact O-N 3.27Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 2.76Å; A128-I131 PolarHBondContact O-N 3.15Å; A128-R132 WeakPolarHBondContact O-CG 3.3Å; A128-R132 PolarHBondContact O-N 3.03Å
129	R	96.5	Very high	91.9	Very high	104 Å²	104	88.3 Å²	88.3	39%	0.392	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-35.4	176.4	-71.2	-173.7	63.3	-157.9	-6.3	113	L104 I125 L127 G133 E134	L104-R129 HydrophobicContact CD1-CG 3.8Å; L104-R129 HydrophobicContact CD2-CG 4.47Å; I125-R129 HydrophobicContact CG2-CG 4.42Å; I125-R129 WeakPolarHBondContact O-CB 3.48Å; I125-R129 WeakPolarHBondContact O-CG 3.31Å; I125-R129 PolarHBondContact O-N 3.06Å; L127-R129 PolarHBondContact O-N 3.22Å; R129-G133 PolarHBondContact O-N 3.18Å; R129-E134 PolarHBondContact NH2-O 3.48Å; R129-E134 PolarHBondContact O-N 3.39Å
130	R	95.8	Very high	91.5	Very high	138 Å²	138	88.2 Å²	88.2	52%	0.521	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-44	175.5	176.8	52.7	170.5	169.6	0.9	111.3	Q126 L127 A128 G133	Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.18Å; Q126-R130 PolarHBondContact O-N 3.41Å; L127-R130 WeakPolarHBondContact O-CB 3.4Å; L127-R130 PolarHBondContact O-N 3.29Å; L127-R130 VanDerWaalsContact O-N 3.14Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 2.76Å; R130-G133 PolarHBondContact O-N 3.18Å
131	I	95	Very high	91.1	Very high	128 Å²	128	89.3 Å²	89.3	66%	0.656	47%	0.466	S	S	*	.	H	α-helix	trans	-66.8	-39.2	178.9	-66.5	168.8	0	0	0	110.9	L127 A128 G133	L127-I131 HydrophobicContact CD1-CD1 4Å; L127-I131 HydrophobicContact CD1-CG1 4.29Å; L127-I131 HydrophobicContact CG-CD1 4.02Å; L127-I131 WeakPolarHBondContact O-CG1 3.4Å; L127-I131 PolarHBondContact O-N 3.02Å; A128-I131 PolarHBondContact O-N 3.15Å; I131-G133 PolarHBondContact O-N 3.31Å
132	R	94.8	Very high	90.6	Very high	87 Å²	87	90.2 Å²	90.2	33%	0.328	47%	0.473	S	S	.	.	H	α-helix	trans	-66.8	-16.4	175.6	-70.6	-173.3	177.7	-163.9	-7.8	114.9	G103 D107 A128 E134	G103-R132 PolarHBondContact O-NH2 3.3Å; D107-R132 IonicContact OD2-CZ 3.11Å; D107-R132 IonicContact OD2-NE 2.69Å; D107-R132 PolarHBondContact OD2-NE 3.24Å; D107-R132 IonicContact OD2-NH2 2.69Å; D107-R132 PolarHBondContact OD2-NH2 3.08Å; A128-R132 WeakPolarHBondContact O-CG 3.3Å; A128-R132 PolarHBondContact O-N 3.03Å; 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 2.98Å
133	G	93.9	Very high	90.1	Very high	58 Å²	58	89.8 Å²	89.8	60%	0.598	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	13.6	-174.2	0	0	0	0	0	114.5	R129 R130 I131 R135	R129-G133 PolarHBondContact O-N 3.18Å; R130-G133 PolarHBondContact O-N 3.18Å; I131-G133 PolarHBondContact O-N 3.31Å; G133-R135 PolarHBondContact O-N 3.47Å
134	E	84.6	Confident	89.6	Confident	60 Å²	60	87.7 Å²	87.7	28%	0.28	46%	0.458	S	S	.	.			trans	-86.2	23.9	-177.5	-62.5	172.9	-174.3	0	0	113.5	Y100 R129 R132	Y100-E134 WeakPolarHBondContact CE2-OE1 3.43Å; Y100-E134 PolarHBondContact OH-OE2 2.67Å; R129-E134 PolarHBondContact NH2-O 3.48Å; R129-E134 PolarHBondContact O-N 3.39Å; 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 2.98Å
135	R	67.4	Low	88.9	Confident	142 Å²	142	94.6 Å²	94.6	54%	0.536	49%	0.494	S	S	.	.			trans	-78.5	135.5	174.1	-86.6	-164	-180	169.5	-1.7	109.3	G133	G133-R135 PolarHBondContact O-N 3.47Å
136	A	52.4	Low	88.1	Confident	164 Å²	164	98.4 Å²	98.4	100%	1.355	51%	0.514	S	S	*	.			trans	-59	0	154.2	0	0	0	0	0	109.9

Retrieved 136 of 136 residues in 21.9 ms (Link to these results)

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