A0A077ZB31_TRITR Loading...

Histone domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZB31_TRITR|A0A077ZB31
MAEKSTDESAMQAGSSRMTTTSGVKKRRKKRKESFSSYIYKMLKLYHPELEISCKSMWIMNSFVNDMFDRIASEASRLAHHSKRHTIGAREIQAAVRLLLPGELSRHAVNEGIKAVDKYMSTK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	45.4	Very low	245 Å²	245	155.9 Å²	155.9	100%	1.207	87%	0.867	S	S	*	*				0	72	0	-61.2	178.7	177.7	0	0	106.2
2	A	44.6	Very low	44.7	Very low	105 Å²	105	159.1 Å²	159.1	87%	0.868	87%	0.871	S	S	*	*				77.4	106	66.1	0	0	0	0	0	113.4
3	E	42.5	Very low	44.1	Very low	197 Å²	197	155.1 Å²	155.1	92%	0.921	87%	0.872	S	S	*	*			trans	-55.8	153.7	176.7	-71.1	170.8	107.4	0	0	115.1
4	K	49.1	Very low	44	Very low	212 Å²	212	149.6 Å²	149.6	92%	0.922	87%	0.868	S	S	*	*			trans	-164.3	132.1	130.9	-132.9	172.9	-179	-179.5	0	114
5	S	45.9	Very low	43.7	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	87%	0.866	S	S	*	*			trans	-82.3	155.3	168.8	50.1	0	0	0	0	113.7
6	T	49.3	Very low	43.9	Very low	139 Å²	139	145.4 Å²	145.4	85%	0.853	86%	0.86	S	S	*	*			trans	-166.6	109.2	154.1	35.5	0	0	0	0	107.1
7	D	46.2	Very low	43.6	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	86%	0.86	S	S	*	*				78.8	150.1	73.7	-138	-30	0	0	0	114.6
8	E	45	Very low	43.6	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	86%	0.863	S	S	*	*			trans	121.9	73.3	162.5	-145.4	170	158.9	0	0	119.5
9	S	40.2	Very low	43.9	Very low	100 Å²	100	149.9 Å²	149.9	70%	0.699	85%	0.853	S	S	*	*				17.9	132.9	121.7	-53.3	0	0	0	0	123.6
10	A	41.7	Very low	43.9	Very low	92 Å²	92	149.4 Å²	149.4	76%	0.76	85%	0.853	S	S	*	*				70.1	121.3	129.9	0	0	0	0	0	123.2
11	M	47.1	Very low	44.3	Very low	184 Å²	184	148.1 Å²	148.1	91%	0.906	85%	0.848	S	S	*	*			trans	164.5	105.9	137	-94	152.4	70.3	0	0	109.1
12	Q	37.6	Very low	44	Very low	194 Å²	194	141.4 Å²	141.4	91%	0.907	83%	0.825	S	S	*	*				66.2	128.7	77.3	-141	165.2	41.3	0	0	115.7
13	A	37.3	Very low	44.1	Very low	107 Å²	107	140.3 Å²	140.3	88%	0.884	83%	0.825	S	S	*	*			trans	88.4	98.8	163.5	0	0	0	0	0	119.4
14	G	42.3	Very low	44.8	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	82%	0.818	S	S	*	*			trans	-145.2	86.8	164.9	0	0	0	0	0	111
15	S	39.3	Very low	45.4	Very low	120 Å²	120	136.7 Å²	136.7	84%	0.839	82%	0.816	S	S	*	*			trans	-68.7	121.7	-177.3	178.5	0	0	0	0	113
16	S	46.3	Very low	46.4	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	82%	0.823	S	S	*	*			trans	-147.5	89.4	152	66.6	0	0	0	0	110.6	M18	S16-M18 PolarHBondContact O-N 3.2Å; S16-M18 VanDerWaalsContact O-N 3.12Å
17	R	39.1	Very low	47.4	Very low	229 Å²	229	146.1 Å²	146.1	86%	0.864	83%	0.826	S	S	*	*			trans	-66.1	91.9	175.8	-166.2	177.3	-172.9	170.5	1.2	109.9	T19	R17-T19 PolarHBondContact O-N 2.83Å
18	M	44.2	Very low	48.5	Very low	184 Å²	184	150.3 Å²	150.3	91%	0.906	83%	0.83	S	S	*	*			trans	-82.1	102.8	165	-84.9	-158.7	166.5	0	0	109.5	S16 T20	S16-M18 PolarHBondContact O-N 3.2Å; S16-M18 VanDerWaalsContact O-N 3.12Å; M18-T20 PolarHBondContact O-N 3.2Å
19	T	49.2	Very low	49.8	Very low	109 Å²	109	151.3 Å²	151.3	67%	0.669	83%	0.831	S	S	*	*			trans	-58.5	112.4	173.1	42.5	0	0	0	0	110.3	R17 T21	R17-T19 PolarHBondContact O-N 2.83Å; T19-T21 VanDerWaalsContact C-N 3.3Å; T19-T21 PolarHBondContact O-N 2.79Å
20	T	44.8	Very low	51.5	Low	139 Å²	139	156 Å²	156	85%	0.853	84%	0.839	S	S	*	*			trans	-65.9	90.5	165.1	50.2	0	0	0	0	108.5	M18 S22	M18-T20 PolarHBondContact O-N 3.2Å; T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.74Å
21	T	50.9	Low	53.2	Low	123 Å²	123	162.1 Å²	162.1	76%	0.755	84%	0.843	S	S	*	*			trans	-67.5	90.2	166.3	35.2	0	0	0	0	108.8	T19	T19-T21 VanDerWaalsContact C-N 3.3Å; T19-T21 PolarHBondContact O-N 2.79Å
22	S	41.8	Very low	54.7	Low	104 Å²	104	162.4 Å²	162.4	73%	0.727	84%	0.839	S	S	*	*			trans	17.6	106.8	134.1	36.8	0	0	0	0	116.6	T20 V24	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.74Å; S22-V24 PolarHBondContact O-N 3.41Å; S22-V24 VanDerWaalsContact O-N 3.11Å
23	G	47.4	Very low	57	Low	83 Å²	83	162.4 Å²	162.4	86%	0.856	84%	0.839	S	S	*	*				83.6	-5.2	122.5	0	0	0	0	0	120	K25	G23-K25 PolarHBondContact O-N 3.26Å
24	V	55.8	Low	59.7	Low	129 Å²	129	159.6 Å²	159.6	78%	0.782	81%	0.813	S	S	*	*			trans	-87.3	98.7	173.2	-171.7	0	0	0	0	109.3	S22 K26	S22-V24 PolarHBondContact O-N 3.41Å; S22-V24 VanDerWaalsContact O-N 3.11Å; V24-K26 VanDerWaalsContact C-N 3.3Å; V24-K26 PolarHBondContact O-N 3.13Å
25	K	61.5	Low	62.2	Low	203 Å²	203	159.2 Å²	159.2	88%	0.883	79%	0.789	S	S	*	*			trans	-53.6	95.9	166.5	-74.4	178.1	-179.8	173	0	108.1	G23 R27	G23-K25 PolarHBondContact O-N 3.26Å; K25-R27 PolarHBondContact O-N 3.27Å
26	K	67.2	Low	64.8	Low	199 Å²	199	155.3 Å²	155.3	87%	0.865	76%	0.762	S	S	*	*			trans	-47.8	115.7	173.2	-84.1	-179.9	177	171.9	0	107	V24 R28	V24-K26 VanDerWaalsContact C-N 3.3Å; V24-K26 PolarHBondContact O-N 3.13Å; K26-R28 PolarHBondContact O-N 3.15Å
27	R	69.9	Low	67.2	Low	241 Å²	241	152.9 Å²	152.9	91%	0.909	74%	0.744	S	S	*	*			trans	-43.4	119.8	179.4	-86.5	172.5	72.1	165.8	1.3	108	K25 K29	K25-R27 PolarHBondContact O-N 3.27Å; R27-K29 PolarHBondContact O-N 3.41Å
28	R	70.4	Confident	69.9	Low	245 Å²	245	148.7 Å²	148.7	93%	0.925	73%	0.73	S	S	*	*			trans	-51.2	115.9	175.9	-77.8	-179.9	161.7	175	-5.3	107.3	K26 K30	K26-R28 PolarHBondContact O-N 3.15Å; R28-K30 PolarHBondContact O-N 3.3Å
29	K	71.3	Confident	72.4	Confident	202 Å²	202	141 Å²	141	88%	0.878	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-54.1	133.9	173.1	-80.6	-179.4	176.4	176.5	0	107.5	R27 R31	R27-K29 PolarHBondContact O-N 3.41Å; K29-R31 PolarHBondContact O-N 3.03Å; K29-R31 VanDerWaalsContact O-N 3.16Å
30	K	77.3	Confident	74.7	Confident	198 Å²	198	140.8 Å²	140.8	86%	0.861	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-51.9	125	173.8	-171.5	175.3	-178.8	-179.5	0	107.4	R28 K32	R28-K30 PolarHBondContact O-N 3.3Å; K30-K32 PolarHBondContact O-N 2.92Å; K30-K32 VanDerWaalsContact O-N 3.15Å
31	R	76.7	Confident	77.1	Confident	221 Å²	221	140.7 Å²	140.7	83%	0.834	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.5	121.7	178.8	-177.4	176	177.7	171.7	-1.6	107.4	K29 E33	K29-R31 PolarHBondContact O-N 3.03Å; K29-R31 VanDerWaalsContact O-N 3.16Å; R31-E33 PolarHBondContact O-N 3.45Å
32	K	79.2	Confident	79.3	Confident	191 Å²	191	139.7 Å²	139.7	83%	0.83	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-74.7	123.8	168.7	-69.6	-171.8	176.1	-172.3	0	107.1	K30	K30-K32 PolarHBondContact O-N 2.92Å; K30-K32 VanDerWaalsContact O-N 3.15Å
33	E	84.8	Confident	81.9	Confident	194 Å²	194	136.5 Å²	136.5	91%	0.907	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-65	136.7	170.7	-66	-179.7	158.8	0	0	108.5	R31	R31-E33 PolarHBondContact O-N 3.45Å
34	S	94	Very high	84.3	Confident	48 Å²	48	135.3 Å²	135.3	34%	0.336	60%	0.601	S	S	.	*			trans	-152.9	147.1	-177.8	171.9	0	0	0	0	109.3	S36 N61	S34-S36 PolarHBondContact O-N 2.85Å; S34-S36 PolarHBondContact OG-N 3.05Å; S34-S36 VanDerWaalsContact OG-N 3.15Å; S34-S36 PolarHBondContact OG-OG 2.98Å; S34-N61 WeakPolarHBondContact CA-OD1 3.43Å; S34-N61 WeakPolarHBondContact CB-OD1 3.39Å; S34-N61 PolarHBondContact OG-OD1 3.49Å
35	F	95.2	Very high	86.2	Confident	71 Å²	71	134.5 Å²	134.5	31%	0.311	59%	0.592	S	S	.	*	S	Bend	trans	-79	1.5	175.7	-63.5	-79.9	0	0	0	113.4	S37 Y38 I39 N61 V64 N65	F35-S37 VanDerWaalsContact C-N 3.29Å; F35-S37 PolarHBondContact O-N 2.88Å; F35-S37 VanDerWaalsContact O-N 3.14Å; F35-Y38 HydrophobicContact CD1-CD2 4.12Å; F35-Y38 PolarHBondContact O-N 3.31Å; F35-I39 HydrophobicContact CB-CD1 3.9Å; F35-I39 HydrophobicContact CB-CG1 4.26Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 3.03Å; F35-N61 PolarHBondContact N-OD1 2.74Å; F35-V64 HydrophobicContact CB-CG1 4.31Å; F35-V64 HydrophobicContact CD1-CG1 4.01Å; F35-V64 HydrophobicContact CD2-CB 4.08Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.2Å; F35-V64 HydrophobicContact CE2-CG1 3.76Å; F35-V64 HydrophobicContact CG-CB 4.34Å; F35-V64 HydrophobicContact CG-CG1 3.68Å; F35-V64 HydrophobicContact CZ-CG1 4.08Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.39Å
36	S	95	Very high	87.8	Confident	38 Å²	38	132.8 Å²	132.8	27%	0.266	58%	0.581	S	S	.	*	H	α-helix	trans	-52.8	-41.4	-171.9	-61.7	0	0	0	0	114	S34 Y38 Y40 M57	S34-S36 PolarHBondContact O-N 2.85Å; S34-S36 PolarHBondContact OG-N 3.05Å; S34-S36 VanDerWaalsContact OG-N 3.15Å; S34-S36 PolarHBondContact OG-OG 2.98Å; S36-Y38 VanDerWaalsContact C-N 3.35Å; S36-Y38 PolarHBondContact O-N 3.45Å; S36-Y40 WeakPolarHBondContact O-CB 3.07Å; S36-Y40 PolarHBondContact O-N 2.92Å; S36-M57 VanDerWaalsContact CA-SD 3.56Å; S36-M57 WeakPolarHBondContact OG-CG 3.4Å
37	S	94.8	Very high	89.2	Confident	59 Å²	59	127.6 Å²	127.6	41%	0.413	56%	0.559	S	S	.	*	H	α-helix	trans	-67.3	-34.7	178.3	55	0	0	0	0	112.9	F35 K41	F35-S37 VanDerWaalsContact C-N 3.29Å; F35-S37 PolarHBondContact O-N 2.88Å; F35-S37 VanDerWaalsContact O-N 3.14Å; S37-K41 VanDerWaalsContact O-CG 3.3Å; S37-K41 WeakPolarHBondContact O-CG 3.34Å; S37-K41 PolarHBondContact O-N 2.97Å; S37-K41 VanDerWaalsContact O-N 3.14Å
38	Y	96.3	Very high	90.5	Very high	142 Å²	142	120.1 Å²	120.1	56%	0.557	54%	0.542	S	S	*	.	H	α-helix	trans	-76.6	-39.2	178.7	-53.3	-69	0	0	0	111.2	F35 S36 Y40 K41 M42	F35-Y38 HydrophobicContact CD1-CD2 4.12Å; F35-Y38 PolarHBondContact O-N 3.31Å; S36-Y38 VanDerWaalsContact C-N 3.35Å; S36-Y38 PolarHBondContact O-N 3.45Å; Y38-Y40 VanDerWaalsContact C-N 3.31Å; Y38-Y40 PolarHBondContact O-N 3.29Å; Y38-K41 PolarHBondContact O-N 3.43Å; Y38-M42 WeakPolarHBondContact O-CG 3.41Å; Y38-M42 PolarHBondContact O-N 3.25Å
39	I	96.6	Very high	91.8	Very high	21 Å²	21	114.9 Å²	114.9	11%	0.108	53%	0.528	C	S	.	.	H	α-helix	trans	-59.1	-45.4	174.3	-65.9	161.6	0	0	0	109.9	F35 M42 L43 I52 M57 M60 N61 V64	F35-I39 HydrophobicContact CB-CD1 3.9Å; F35-I39 HydrophobicContact CB-CG1 4.26Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 3.03Å; I39-M42 PolarHBondContact O-N 3.44Å; I39-L43 PolarHBondContact O-N 3.14Å; I39-I52 HydrophobicContact CG2-CD1 4.44Å; I39-M57 HydrophobicContact CB-CE 4.37Å; I39-M57 HydrophobicContact CB-SD 3.88Å; I39-M57 HydrophobicContact CD1-SD 4.08Å; I39-M57 HydrophobicContact CG2-CE 4.13Å; I39-M57 HydrophobicContact CG2-SD 3.77Å; I39-M60 HydrophobicContact CD1-CB 3.87Å; I39-M60 HydrophobicContact CG2-CB 4.07Å; I39-M60 HydrophobicContact CG2-CG 4.45Å; I39-N61 HydrophobicContact CD1-CB 4.3Å; I39-V64 HydrophobicContact CD1-CG2 4.38Å
40	Y	96.9	Very high	93	Very high	106 Å²	106	109 Å²	109	42%	0.416	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-42.3	176.8	-172.7	-102.3	0	0	0	112.8	S36 Y38 M42 L43 K44 I52	S36-Y40 WeakPolarHBondContact O-CB 3.07Å; S36-Y40 PolarHBondContact O-N 2.92Å; Y38-Y40 VanDerWaalsContact C-N 3.31Å; Y38-Y40 PolarHBondContact O-N 3.29Å; Y40-M42 VanDerWaalsContact C-N 3.32Å; Y40-M42 PolarHBondContact O-N 2.88Å; Y40-L43 PolarHBondContact O-N 3.48Å; Y40-K44 HydrophobicContact CD1-CG 4.35Å; Y40-K44 HydrophobicContact CE1-CG 3.92Å; Y40-K44 HydrophobicContact CE2-CG 4.41Å; Y40-K44 VanDerWaalsContact CZ-CE 3.49Å; Y40-K44 PolarHBondContact O-N 2.92Å; Y40-K44 WeakPolarHBondContact OH-CE 3.39Å; Y40-I52 HydrophobicContact CD2-CG2 4.22Å
41	K	97.1	Very high	93.9	Very high	136 Å²	136	107.6 Å²	107.6	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-60.7	-40.4	174.5	-76	176.8	-179.2	-173.7	0	112.3	S37 Y38 L45	S37-K41 VanDerWaalsContact O-CG 3.3Å; S37-K41 WeakPolarHBondContact O-CG 3.34Å; S37-K41 PolarHBondContact O-N 2.97Å; S37-K41 VanDerWaalsContact O-N 3.14Å; Y38-K41 PolarHBondContact O-N 3.43Å; K41-L45 PolarHBondContact O-N 3.34Å; K41-L45 VanDerWaalsContact O-N 3.15Å
42	M	95.7	Very high	94.9	Very high	102 Å²	102	99.3 Å²	99.3	50%	0.502	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-43.4	175.7	-75.4	-70	107.9	0	0	111.6	Y38 I39 Y40 K44 L45 Y46	Y38-M42 WeakPolarHBondContact O-CG 3.41Å; Y38-M42 PolarHBondContact O-N 3.25Å; I39-M42 PolarHBondContact O-N 3.44Å; Y40-M42 VanDerWaalsContact C-N 3.32Å; Y40-M42 PolarHBondContact O-N 2.88Å; M42-K44 VanDerWaalsContact C-N 3.34Å; M42-K44 PolarHBondContact O-N 3.25Å; M42-L45 HydrophobicContact CE-CD2 3.89Å; M42-L45 WeakPolarHBondContact O-CB 3.43Å; M42-L45 PolarHBondContact O-N 3.22Å; M42-L45 VanDerWaalsContact O-N 3.13Å; M42-Y46 WeakPolarHBondContact O-CD2 3.3Å; M42-Y46 PolarHBondContact O-N 3.49Å; M42-Y46 HydrophobicContact SD-CE2 4.46Å
43	L	97.1	Very high	95.7	Very high	38 Å²	38	93.2 Å²	93.2	20%	0.199	46%	0.456	C	S	.	.	H	α-helix	trans	-56.3	-49.3	175.7	176.9	64.4	0	0	0	111.1	I39 Y40 L45 Y46 H47 L50 I52	I39-L43 PolarHBondContact O-N 3.14Å; Y40-L43 PolarHBondContact O-N 3.48Å; L43-L45 PolarHBondContact O-N 2.71Å; L43-Y46 PolarHBondContact O-N 3.22Å; L43-H47 HydrophobicContact CD1-CB 4.36Å; L43-H47 CarbonylContact O-C 3.51Å; L43-H47 PolarHBondContact O-N 3.26Å; L43-L50 HydrophobicContact CD1-CB 4.24Å; L43-I52 HydrophobicContact CD2-CB 3.85Å; L43-I52 HydrophobicContact CD2-CG2 3.9Å
44	K	97.3	Very high	96.2	Very high	57 Å²	57	89 Å²	89	25%	0.248	45%	0.447	C	S	.	.	H	α-helix	trans	-68.6	-18.3	-179.7	-66.9	-56	-169.2	-176.5	0	114.2	Y40 M42 P48 L50	Y40-K44 HydrophobicContact CD1-CG 4.35Å; Y40-K44 HydrophobicContact CE1-CG 3.92Å; Y40-K44 HydrophobicContact CE2-CG 4.41Å; Y40-K44 VanDerWaalsContact CZ-CE 3.49Å; Y40-K44 PolarHBondContact O-N 2.92Å; Y40-K44 WeakPolarHBondContact OH-CE 3.39Å; M42-K44 VanDerWaalsContact C-N 3.34Å; M42-K44 PolarHBondContact O-N 3.25Å; K44-P48 WeakPolarHBondContact CD-O 3.45Å; K44-P48 PolarHBondContact NZ-O 2.8Å; K44-L50 WeakPolarHBondContact CE-O 3.3Å; K44-L50 PolarHBondContact NZ-O 3.5Å
45	L	96.7	Very high	96.4	Very high	112 Å²	112	94.4 Å²	94.4	59%	0.586	46%	0.464	S	S	*	.	H	α-helix	trans	-73.5	-36.2	174.7	-177	61.8	0	0	0	112.3	K41 M42 L43	K41-L45 PolarHBondContact O-N 3.34Å; K41-L45 VanDerWaalsContact O-N 3.15Å; M42-L45 HydrophobicContact CE-CD2 3.89Å; M42-L45 WeakPolarHBondContact O-CB 3.43Å; M42-L45 PolarHBondContact O-N 3.22Å; M42-L45 VanDerWaalsContact O-N 3.13Å; L43-L45 PolarHBondContact O-N 2.71Å
46	Y	95.4	Very high	96.5	Very high	168 Å²	168	93.6 Å²	93.6	66%	0.659	47%	0.467	S	S	*	.	H	α-helix	trans	-100.8	-31	-177.4	-66.1	-77.3	0	0	0	113.6	M42 L43	M42-Y46 WeakPolarHBondContact O-CD2 3.3Å; M42-Y46 PolarHBondContact O-N 3.49Å; M42-Y46 HydrophobicContact SD-CE2 4.46Å; L43-Y46 PolarHBondContact O-N 3.22Å
47	H	96.7	Very high	96.6	Very high	89 Å²	89	92.8 Å²	92.8	41%	0.412	46%	0.46	S	S	.	.			trans	-139.7	80	-177.8	-64.6	-72	0	0	0	111	L43 E49 L50	L43-H47 HydrophobicContact CD1-CB 4.36Å; L43-H47 CarbonylContact O-C 3.51Å; L43-H47 PolarHBondContact O-N 3.26Å; H47-E49 IonicContact ND1-OE1 3.71Å; H47-E49 PolarHBondContact O-N 2.91Å; H47-L50 HydrophobicContact CB-CB 3.95Å; H47-L50 HydrophobicContact CB-CD1 3.55Å; H47-L50 HydrophobicContact CB-CG 3.74Å; H47-L50 PolarHBondContact O-N 3.43Å
48	P	96.7	Very high	96.7	Very high	85 Å²	85	99.3 Å²	99.3	55%	0.552	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.8	-177.4	-25.7	35.1	0	0	0	114.4	K44	K44-P48 WeakPolarHBondContact CD-O 3.45Å; K44-P48 PolarHBondContact NZ-O 2.8Å
49	E	97.3	Very high	96.7	Very high	134 Å²	134	97.6 Å²	97.6	63%	0.626	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-21.1	-177.8	72.1	-72	171.4	0	0	114.1	H47	H47-E49 IonicContact ND1-OE1 3.71Å; H47-E49 PolarHBondContact O-N 2.91Å
50	L	96.6	Very high	96.8	Very high	80 Å²	80	100.3 Å²	100.3	42%	0.419	49%	0.488	S	S	.	.			trans	-86.1	148.4	-174.1	-64.6	-176.5	0	0	0	112.7	L43 K44 H47	L43-L50 HydrophobicContact CD1-CB 4.24Å; K44-L50 WeakPolarHBondContact CE-O 3.3Å; K44-L50 PolarHBondContact NZ-O 3.5Å; H47-L50 HydrophobicContact CB-CB 3.95Å; H47-L50 HydrophobicContact CB-CD1 3.55Å; H47-L50 HydrophobicContact CB-CG 3.74Å; H47-L50 PolarHBondContact O-N 3.43Å
51	E	95.9	Very high	96.8	Very high	167 Å²	167	96.5 Å²	96.5	78%	0.78	48%	0.475	S	S	*	.			trans	-119.3	160.7	172.2	-63	-169.6	168.1	0	0	110.8
52	I	96.8	Very high	96.8	Very high	48 Å²	48	93.7 Å²	93.7	25%	0.246	47%	0.472	C	S	.	.			trans	-124.5	129.5	-178.2	-173.7	170	0	0	0	110.2	I39 Y40 L43 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.44Å; Y40-I52 HydrophobicContact CD2-CG2 4.22Å; L43-I52 HydrophobicContact CD2-CB 3.85Å; L43-I52 HydrophobicContact CD2-CG2 3.9Å; I52-M57 HydrophobicContact CD1-CE 4.39Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; I52-M60 HydrophobicContact CD1-CG 4.09Å
53	S	97.3	Very high	96.9	Very high	63 Å²	63	94.1 Å²	94.1	44%	0.441	47%	0.471	S	S	.	.			trans	-66.2	155.8	177.7	83.6	0	0	0	0	111.9	K55 S56 M57	S53-K55 VanDerWaalsContact C-N 3.26Å; S53-K55 PolarHBondContact O-N 3.05Å; S53-S56 PolarHBondContact O-N 3.1Å; S53-S56 WeakPolarHBondContact OG-CB 3.46Å; S53-S56 PolarHBondContact OG-N 3.28Å; S53-S56 PolarHBondContact OG-OG 3.33Å; S53-M57 PolarHBondContact O-N 3.17Å
54	C	95.9	Very high	96.9	Very high	106 Å²	106	94.4 Å²	94.4	72%	0.716	48%	0.475	S	S	*	.	H	α-helix	trans	-57	-38.9	175.2	-64.6	0	0	0	0	112.7	M57 W58	C54-M57 WeakPolarHBondContact O-CB 3.41Å; C54-M57 PolarHBondContact O-N 3.04Å; C54-W58 VanDerWaalsContact O-CD1 3.3Å; C54-W58 PolarHBondContact O-N 3.46Å; C54-W58 VanDerWaalsContact O-N 3.11Å
55	K	97.3	Very high	96.9	Very high	161 Å²	161	95.1 Å²	95.1	70%	0.7	48%	0.481	S	S	*	.	H	α-helix	trans	-66.9	-44.7	178.3	-172.6	178.4	-178.5	-178.4	0	111.1	S53 M57 W58 I59	S53-K55 VanDerWaalsContact C-N 3.26Å; S53-K55 PolarHBondContact O-N 3.05Å; K55-M57 VanDerWaalsContact C-N 3.31Å; K55-M57 PolarHBondContact O-N 3.12Å; K55-W58 PolarHBondContact O-N 3.33Å; K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 2.99Å; K55-I59 VanDerWaalsContact O-N 3.12Å
56	S	97.5	Very high	96.9	Very high	53 Å²	53	92.9 Å²	92.9	37%	0.371	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-39.4	175.5	-55.9	0	0	0	0	111.3	S53 W58 I59 M60	S53-S56 PolarHBondContact O-N 3.1Å; S53-S56 WeakPolarHBondContact OG-CB 3.46Å; S53-S56 PolarHBondContact OG-N 3.28Å; S53-S56 PolarHBondContact OG-OG 3.33Å; S56-W58 VanDerWaalsContact C-N 3.31Å; S56-W58 PolarHBondContact O-N 3.12Å; S56-I59 PolarHBondContact O-N 3.41Å; S56-M60 WeakPolarHBondContact O-CG 3.3Å; S56-M60 PolarHBondContact O-N 3.23Å
57	M	97	Very high	97	Very high	22 Å²	22	86.9 Å²	86.9	11%	0.108	45%	0.448	C	S	.	.	H	α-helix	trans	-60.1	-40.2	175.2	-175.1	59.4	77.8	0	0	112.1	S36 I39 I52 S53 C54 K55 M60 N61	S36-M57 VanDerWaalsContact CA-SD 3.56Å; S36-M57 WeakPolarHBondContact OG-CG 3.4Å; I39-M57 HydrophobicContact CB-CE 4.37Å; I39-M57 HydrophobicContact CB-SD 3.88Å; I39-M57 HydrophobicContact CD1-SD 4.08Å; I39-M57 HydrophobicContact CG2-CE 4.13Å; I39-M57 HydrophobicContact CG2-SD 3.77Å; I52-M57 HydrophobicContact CD1-CE 4.39Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; S53-M57 PolarHBondContact O-N 3.17Å; C54-M57 WeakPolarHBondContact O-CB 3.41Å; C54-M57 PolarHBondContact O-N 3.04Å; K55-M57 VanDerWaalsContact C-N 3.31Å; K55-M57 PolarHBondContact O-N 3.12Å; M57-M60 PolarHBondContact O-N 2.92Å; M57-N61 WeakPolarHBondContact O-CB 3.35Å; M57-N61 PolarHBondContact O-N 2.98Å
58	W	96.1	Very high	97.1	Very high	195 Å²	195	89.3 Å²	89.3	74%	0.739	46%	0.458	S	S	*	.	H	α-helix	trans	-64.8	-43.1	175.7	-74.9	17.4	0	0	0	112.1	C54 K55 S56 M60 N61 S62	C54-W58 VanDerWaalsContact O-CD1 3.3Å; C54-W58 PolarHBondContact O-N 3.46Å; C54-W58 VanDerWaalsContact O-N 3.11Å; K55-W58 PolarHBondContact O-N 3.33Å; S56-W58 VanDerWaalsContact C-N 3.31Å; S56-W58 PolarHBondContact O-N 3.12Å; W58-M60 PolarHBondContact O-N 3.19Å; W58-N61 PolarHBondContact O-N 2.93Å; W58-S62 PolarHBondContact O-N 3.43Å; W58-S62 PolarHBondContact O-OG 3.05Å
59	I	97.7	Very high	97.1	Very high	107 Å²	107	90 Å²	90	55%	0.549	46%	0.456	S	S	.	.	H	α-helix	trans	-59.4	-47.8	175.8	-65.1	167.5	0	0	0	110.1	K55 S56 N61 S62 F63	K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 2.99Å; K55-I59 VanDerWaalsContact O-N 3.12Å; S56-I59 PolarHBondContact O-N 3.41Å; I59-N61 PolarHBondContact O-N 3.36Å; I59-S62 PolarHBondContact O-N 3.49Å; I59-F63 WeakPolarHBondContact O-CB 3.33Å; I59-F63 PolarHBondContact O-N 3.39Å
60	M	97.6	Very high	97.1	Very high	77 Å²	77	89.6 Å²	89.6	38%	0.379	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-40.8	179.3	-68	-58.8	-66.5	0	0	112.4	I39 I52 S56 M57 W58 S62 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.87Å; I39-M60 HydrophobicContact CG2-CB 4.07Å; I39-M60 HydrophobicContact CG2-CG 4.45Å; I52-M60 HydrophobicContact CD1-CG 4.09Å; S56-M60 WeakPolarHBondContact O-CG 3.3Å; S56-M60 PolarHBondContact O-N 3.23Å; M57-M60 PolarHBondContact O-N 2.92Å; W58-M60 PolarHBondContact O-N 3.19Å; M60-S62 PolarHBondContact O-N 3Å; M60-F63 PolarHBondContact O-N 3.21Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.24Å
61	N	96.8	Very high	97.2	Very high	27 Å²	27	87.9 Å²	87.9	14%	0.144	44%	0.44	C	S	.	.	H	α-helix	trans	-62.6	-42.8	175.3	179.7	88.9	0	0	0	111.4	S34 F35 I39 M57 W58 I59 V64 N65	S34-N61 WeakPolarHBondContact CA-OD1 3.43Å; S34-N61 WeakPolarHBondContact CB-OD1 3.39Å; S34-N61 PolarHBondContact OG-OD1 3.49Å; F35-N61 PolarHBondContact N-OD1 2.74Å; I39-N61 HydrophobicContact CD1-CB 4.3Å; M57-N61 WeakPolarHBondContact O-CB 3.35Å; M57-N61 PolarHBondContact O-N 2.98Å; W58-N61 PolarHBondContact O-N 2.93Å; I59-N61 PolarHBondContact O-N 3.36Å; N61-V64 PolarHBondContact O-N 3.35Å; N61-N65 PolarHBondContact ND2-ND2 2.93Å; N61-N65 PolarHBondContact O-N 2.88Å; N61-N65 VanDerWaalsContact O-N 3.17Å; N61-N65 PolarHBondContact O-ND2 3.42Å
62	S	97.2	Very high	97.3	Very high	76 Å²	76	81.6 Å²	81.6	53%	0.531	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-39.6	175.1	-64.9	0	0	0	0	112.1	W58 I59 M60 V64 N65 D66	W58-S62 PolarHBondContact O-N 3.43Å; W58-S62 PolarHBondContact O-OG 3.05Å; I59-S62 PolarHBondContact O-N 3.49Å; M60-S62 PolarHBondContact O-N 3Å; S62-V64 PolarHBondContact O-N 3.02Å; S62-N65 PolarHBondContact O-N 3.22Å; S62-D66 PolarHBondContact O-N 3.08Å
63	F	97.7	Very high	97.4	Very high	112 Å²	112	82 Å²	82	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-59.2	-45.8	175.5	173.6	-109.2	0	0	0	112.2	I59 M60 N65 D66 M67	I59-F63 WeakPolarHBondContact O-CB 3.33Å; I59-F63 PolarHBondContact O-N 3.39Å; M60-F63 PolarHBondContact O-N 3.21Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 3.22Å; F63-D66 PolarHBondContact O-N 3.12Å; F63-M67 HydrophobicContact CD2-CG 4.12Å; F63-M67 HydrophobicContact CE1-CG 4.23Å; F63-M67 HydrophobicContact CE2-CE 4.39Å; F63-M67 HydrophobicContact CE2-CG 3.62Å; F63-M67 HydrophobicContact CE2-SD 4.1Å; F63-M67 HydrophobicContact CZ-CG 3.68Å; F63-M67 HydrophobicContact CZ-SD 4.36Å; F63-M67 WeakPolarHBondContact O-CG 3.39Å; F63-M67 PolarHBondContact O-N 3.46Å
64	V	97.4	Very high	97.4	Very high	44 Å²	44	80.7 Å²	80.7	27%	0.267	41%	0.411	S	S	.	.	H	α-helix	trans	-61.6	-40.8	176.6	174.7	0	0	0	0	111.2	F35 I39 M60 N61 S62 F68	F35-V64 HydrophobicContact CB-CG1 4.31Å; F35-V64 HydrophobicContact CD1-CG1 4.01Å; F35-V64 HydrophobicContact CD2-CB 4.08Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.2Å; F35-V64 HydrophobicContact CE2-CG1 3.76Å; F35-V64 HydrophobicContact CG-CB 4.34Å; F35-V64 HydrophobicContact CG-CG1 3.68Å; F35-V64 HydrophobicContact CZ-CG1 4.08Å; I39-V64 HydrophobicContact CD1-CG2 4.38Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.24Å; N61-V64 PolarHBondContact O-N 3.35Å; S62-V64 PolarHBondContact O-N 3.02Å; V64-F68 VanDerWaalsContact O-CB 3.27Å; V64-F68 WeakPolarHBondContact O-CB 3.34Å; V64-F68 PolarHBondContact O-N 3.49Å
65	N	97.1	Very high	97.5	Very high	71 Å²	71	75.7 Å²	75.7	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-43.7	177.3	-74.6	-63.1	0	0	0	112.4	F35 N61 S62 F63 F68 D69	F35-N65 WeakPolarHBondContact CE2-OD1 3.39Å; N61-N65 PolarHBondContact ND2-ND2 2.93Å; N61-N65 PolarHBondContact O-N 2.88Å; N61-N65 VanDerWaalsContact O-N 3.17Å; N61-N65 PolarHBondContact O-ND2 3.42Å; S62-N65 PolarHBondContact O-N 3.22Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 3.22Å; N65-F68 PolarHBondContact O-N 3.11Å; N65-D69 WeakPolarHBondContact O-CB 3.46Å; N65-D69 PolarHBondContact O-N 3.01Å
66	D	97.6	Very high	97.5	Very high	66 Å²	66	71.1 Å²	71.1	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.9	-179.4	35.9	0	0	0	111.1	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.08Å; F63-D66 PolarHBondContact O-N 3.12Å; D66-F68 PolarHBondContact O-N 3.07Å; D66-D69 PolarHBondContact O-N 2.9Å; D66-R70 VanDerWaalsContact CG-NE 3.34Å; D66-R70 WeakPolarHBondContact O-CB 3.36Å; D66-R70 VanDerWaalsContact O-CG 3.25Å; D66-R70 WeakPolarHBondContact O-CG 3.44Å; D66-R70 PolarHBondContact O-N 3.4Å; D66-R70 IonicContact OD1-CZ 3.17Å; D66-R70 IonicContact OD1-NE 3.31Å; D66-R70 PolarHBondContact OD1-NE 2.73Å; D66-R70 IonicContact OD1-NH2 2.78Å; D66-R70 PolarHBondContact OD1-NH2 3.21Å; D66-R70 IonicContact OD2-CZ 3.46Å; D66-R70 VanDerWaalsContact OD2-CZ 3.31Å; D66-R70 IonicContact OD2-NE 2.81Å; D66-R70 PolarHBondContact OD2-NE 3.33Å; D66-R70 IonicContact OD2-NH2 3.28Å; D66-R70 PolarHBondContact OD2-NH2 3.12Å
67	M	97.2	Very high	97.5	Very high	42 Å²	42	75.4 Å²	75.4	21%	0.207	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-40.3	176.7	-68.7	-59.3	96.1	0	0	112.6	F63 I71	F63-M67 HydrophobicContact CD2-CG 4.12Å; F63-M67 HydrophobicContact CE1-CG 4.23Å; F63-M67 HydrophobicContact CE2-CE 4.39Å; F63-M67 HydrophobicContact CE2-CG 3.62Å; F63-M67 HydrophobicContact CE2-SD 4.1Å; F63-M67 HydrophobicContact CZ-CG 3.68Å; F63-M67 HydrophobicContact CZ-SD 4.36Å; F63-M67 WeakPolarHBondContact O-CG 3.39Å; F63-M67 PolarHBondContact O-N 3.46Å; M67-I71 WeakPolarHBondContact O-CB 3.49Å; M67-I71 WeakPolarHBondContact O-CD1 3.4Å; M67-I71 VanDerWaalsContact O-CG1 3.25Å; M67-I71 WeakPolarHBondContact O-CG1 3.47Å; M67-I71 PolarHBondContact O-N 2.7Å
68	F	97.3	Very high	97.5	Very high	139 Å²	139	76.3 Å²	76.3	61%	0.61	38%	0.378	S	S	*	.	H	α-helix	trans	-60.9	-48.6	176.4	179.9	-90.3	0	0	0	111.4	V64 N65 D66 R70 I71 A72	V64-F68 VanDerWaalsContact O-CB 3.27Å; V64-F68 WeakPolarHBondContact O-CB 3.34Å; V64-F68 PolarHBondContact O-N 3.49Å; N65-F68 PolarHBondContact O-N 3.11Å; D66-F68 PolarHBondContact O-N 3.07Å; F68-R70 PolarHBondContact O-N 3.33Å; F68-I71 PolarHBondContact O-N 3.18Å; F68-A72 HydrophobicContact CE1-CB 4.46Å; F68-A72 VanDerWaalsContact O-CB 3.28Å; F68-A72 WeakPolarHBondContact O-CB 3.49Å; F68-A72 PolarHBondContact O-N 3.17Å
69	D	97.7	Very high	97.6	Very high	99 Å²	99	67.2 Å²	67.2	53%	0.529	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-41.8	-178.5	-169.9	50.3	0	0	0	112	N65 D66 A72 S73	N65-D69 WeakPolarHBondContact O-CB 3.46Å; N65-D69 PolarHBondContact O-N 3.01Å; D66-D69 PolarHBondContact O-N 2.9Å; D69-A72 PolarHBondContact O-N 2.93Å; D69-S73 WeakPolarHBondContact O-CB 3.26Å; D69-S73 PolarHBondContact O-N 3.14Å; D69-S73 PolarHBondContact O-OG 2.98Å
70	R	98.1	Very high	97.5	Very high	127 Å²	127	69.4 Å²	69.4	48%	0.479	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-47.7	174.8	-70.8	-179.5	-162.1	-151.5	5	112.2	D66 F68 S73 E74 L99	D66-R70 VanDerWaalsContact CG-NE 3.34Å; D66-R70 WeakPolarHBondContact O-CB 3.36Å; D66-R70 VanDerWaalsContact O-CG 3.25Å; D66-R70 WeakPolarHBondContact O-CG 3.44Å; D66-R70 PolarHBondContact O-N 3.4Å; D66-R70 IonicContact OD1-CZ 3.17Å; D66-R70 IonicContact OD1-NE 3.31Å; D66-R70 PolarHBondContact OD1-NE 2.73Å; D66-R70 IonicContact OD1-NH2 2.78Å; D66-R70 PolarHBondContact OD1-NH2 3.21Å; D66-R70 IonicContact OD2-CZ 3.46Å; D66-R70 VanDerWaalsContact OD2-CZ 3.31Å; D66-R70 IonicContact OD2-NE 2.81Å; D66-R70 PolarHBondContact OD2-NE 3.33Å; D66-R70 IonicContact OD2-NH2 3.28Å; D66-R70 PolarHBondContact OD2-NH2 3.12Å; F68-R70 PolarHBondContact O-N 3.33Å; R70-S73 PolarHBondContact O-N 3.15Å; R70-E74 WeakPolarHBondContact O-CB 3.42Å; R70-E74 PolarHBondContact O-N 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.15Å
71	I	98	Very high	97.4	Very high	44 Å²	44	72.7 Å²	72.7	23%	0.226	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-45.2	179	-67.3	165.9	0	0	0	110.4	M67 F68 E74 A75 I92 A95 V96 L99	M67-I71 WeakPolarHBondContact O-CB 3.49Å; M67-I71 WeakPolarHBondContact O-CD1 3.4Å; M67-I71 VanDerWaalsContact O-CG1 3.25Å; M67-I71 WeakPolarHBondContact O-CG1 3.47Å; M67-I71 PolarHBondContact O-N 2.7Å; F68-I71 PolarHBondContact O-N 3.18Å; I71-E74 PolarHBondContact O-N 3.46Å; I71-A75 WeakPolarHBondContact O-CB 3.33Å; I71-A75 PolarHBondContact O-N 3.3Å; I71-I92 HydrophobicContact CG2-CD1 4.3Å; I71-I92 HydrophobicContact CG2-CG2 4.21Å; I71-A95 HydrophobicContact CG2-CB 4.35Å; I71-V96 HydrophobicContact CD1-CG2 4.17Å; I71-V96 HydrophobicContact CG1-CG2 4.4Å; I71-V96 HydrophobicContact CG2-CG2 4.35Å; I71-L99 VanDerWaalsContact CA-CD1 3.49Å; I71-L99 HydrophobicContact CB-CD1 4.15Å; I71-L99 HydrophobicContact CG1-CD1 3.57Å
72	A	97.9	Very high	97.3	Very high	34 Å²	34	74.6 Å²	74.6	28%	0.281	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-43.7	179.8	0	0	0	0	0	111.8	F68 D69 A75 S76	F68-A72 HydrophobicContact CE1-CB 4.46Å; F68-A72 VanDerWaalsContact O-CB 3.28Å; F68-A72 WeakPolarHBondContact O-CB 3.49Å; F68-A72 PolarHBondContact O-N 3.17Å; D69-A72 PolarHBondContact O-N 2.93Å; A72-A75 PolarHBondContact O-N 2.87Å; A72-S76 VanDerWaalsContact O-CB 3.27Å; A72-S76 WeakPolarHBondContact O-CB 3.41Å; A72-S76 PolarHBondContact O-N 3.47Å
73	S	98.1	Very high	97.2	Very high	58 Å²	58	80 Å²	80	41%	0.406	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-47.1	177.1	-67.6	0	0	0	0	111.7	D69 R70 S76 R77	D69-S73 WeakPolarHBondContact O-CB 3.26Å; D69-S73 PolarHBondContact O-N 3.14Å; D69-S73 PolarHBondContact O-OG 2.98Å; R70-S73 PolarHBondContact O-N 3.15Å; S73-S76 WeakPolarHBondContact O-CB 3.42Å; S73-S76 PolarHBondContact O-N 3.03Å; S73-R77 WeakPolarHBondContact O-CG 3.32Å; S73-R77 PolarHBondContact O-N 2.92Å
74	E	97.9	Very high	97.1	Very high	35 Å²	35	80.7 Å²	80.7	16%	0.164	40%	0.395	C	S	.	.	H	α-helix	trans	-69.2	-39	180	-167.2	60.7	-159.9	0	0	111.9	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.42Å; R70-E74 PolarHBondContact O-N 3.48Å; I71-E74 PolarHBondContact O-N 3.46Å; E74-S76 VanDerWaalsContact C-N 3.34Å; E74-S76 PolarHBondContact O-N 3Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 3.33Å; E74-R77 IonicContact OE1-NH1 3.7Å; E74-R77 IonicContact OE2-CZ 2.78Å; E74-R77 IonicContact OE2-NE 3.08Å; E74-R77 IonicContact OE2-NH1 4Å; E74-R77 PolarHBondContact OE2-NH1 2.97Å; E74-L78 WeakPolarHBondContact O-CG 3.44Å; E74-L78 PolarHBondContact O-N 3.41Å; E74-A95 HydrophobicContact CB-CB 3.89Å; E74-A95 HydrophobicContact CG-CB 4.04Å; E74-L98 HydrophobicContact CG-CB 4.42Å; E74-L98 HydrophobicContact CG-CD1 3.97Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.25Å; E74-L99 HydrophobicContact CB-CD1 4.28Å
75	A	98	Very high	96.9	Very high	0 Å²	0	87.8 Å²	87.8	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-65	-37.4	174.6	0	0	0	0	0	112.3	I71 A72 L78 A79 I87 E91 I92 A95	I71-A75 WeakPolarHBondContact O-CB 3.33Å; I71-A75 PolarHBondContact O-N 3.3Å; A72-A75 PolarHBondContact O-N 2.87Å; A75-L78 PolarHBondContact O-N 2.96Å; A75-A79 WeakPolarHBondContact O-CB 3.19Å; A75-A79 PolarHBondContact O-N 3.24Å; A75-I87 HydrophobicContact CB-CG2 3.85Å; A75-E91 HydrophobicContact CB-CB 4.38Å; A75-I92 HydrophobicContact CB-CD1 3.65Å; A75-I92 HydrophobicContact CB-CG1 4.45Å; A75-A95 HydrophobicContact CB-CB 4.01Å
76	S	97.6	Very high	96.9	Very high	66 Å²	66	89.4 Å²	89.4	46%	0.462	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-45.9	172.9	-178.5	0	0	0	0	111.3	A72 S73 E74 L78 A79 H80	A72-S76 VanDerWaalsContact O-CB 3.27Å; A72-S76 WeakPolarHBondContact O-CB 3.41Å; A72-S76 PolarHBondContact O-N 3.47Å; S73-S76 WeakPolarHBondContact O-CB 3.42Å; S73-S76 PolarHBondContact O-N 3.03Å; E74-S76 VanDerWaalsContact C-N 3.34Å; E74-S76 PolarHBondContact O-N 3Å; S76-L78 PolarHBondContact O-N 3.26Å; S76-A79 PolarHBondContact O-N 3.22Å; S76-H80 PolarHBondContact O-N 2.71Å
77	R	97.4	Very high	96.9	Very high	142 Å²	142	90.1 Å²	90.1	54%	0.536	44%	0.441	S	S	.	.	H	α-helix	trans	-57.3	-48.5	173.5	-70.1	174.1	70.6	-156.6	4.6	110.7	S73 E74 A79 H80 H81	S73-R77 WeakPolarHBondContact O-CG 3.32Å; S73-R77 PolarHBondContact O-N 2.92Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 3.33Å; E74-R77 IonicContact OE1-NH1 3.7Å; E74-R77 IonicContact OE2-CZ 2.78Å; E74-R77 IonicContact OE2-NE 3.08Å; E74-R77 IonicContact OE2-NH1 4Å; E74-R77 PolarHBondContact OE2-NH1 2.97Å; R77-A79 PolarHBondContact O-N 3.17Å; R77-H80 WeakPolarHBondContact O-CB 3.4Å; R77-H80 PolarHBondContact O-N 2.78Å; R77-H81 PolarHBondContact O-N 3.5Å; R77-H81 PolarHBondContact O-ND1 3.5Å
78	L	97.6	Very high	96.8	Very high	41 Å²	41	89.5 Å²	89.5	22%	0.215	45%	0.445	C	S	.	.	H	α-helix	trans	-62	-40.2	180	-71.4	168.9	0	0	0	113.3	E74 A75 S76 H80 H81 S82 E91 A94 A95 L98	E74-L78 WeakPolarHBondContact O-CG 3.44Å; E74-L78 PolarHBondContact O-N 3.41Å; A75-L78 PolarHBondContact O-N 2.96Å; S76-L78 PolarHBondContact O-N 3.26Å; L78-H80 VanDerWaalsContact C-N 3.33Å; L78-H81 PolarHBondContact O-N 3.35Å; L78-S82 WeakPolarHBondContact O-CB 3.49Å; L78-S82 PolarHBondContact O-N 3.15Å; L78-S82 VanDerWaalsContact O-N 3.08Å; L78-S82 PolarHBondContact O-OG 2.92Å; L78-E91 HydrophobicContact CB-CB 4.36Å; L78-E91 HydrophobicContact CB-CG 4.31Å; L78-E91 WeakPolarHBondContact CD1-O 3.41Å; L78-A94 HydrophobicContact CD1-CB 3.66Å; L78-A95 HydrophobicContact CD1-CB 4.13Å; L78-L98 HydrophobicContact CD1-CD1 4.23Å; L78-L98 HydrophobicContact CD2-CD1 4.32Å
79	A	97.2	Very high	96.7	Very high	4 Å²	4	85.4 Å²	85.4	3%	0.033	44%	0.437	C	S	.	.	H	α-helix	trans	-62	-43.1	174.6	0	0	0	0	0	111.2	A75 S76 R77 S82 K83 R84 I87 E91	A75-A79 WeakPolarHBondContact O-CB 3.19Å; A75-A79 PolarHBondContact O-N 3.24Å; S76-A79 PolarHBondContact O-N 3.22Å; R77-A79 PolarHBondContact O-N 3.17Å; A79-S82 CarbonylContact O-C 3.52Å; A79-S82 PolarHBondContact O-N 3.16Å; A79-K83 PolarHBondContact O-N 2.89Å; A79-R84 PolarHBondContact O-N 3.11Å; A79-I87 HydrophobicContact CB-CG1 4.02Å; A79-E91 HydrophobicContact CB-CG 4.19Å
80	H	96.4	Very high	96.6	Very high	153 Å²	153	89.5 Å²	89.5	71%	0.708	45%	0.445	S	S	*	.	H	α-helix	trans	-65	-43.5	178.4	-151.5	77.3	0	0	0	112.4	S76 R77 L78 S82 K83	S76-H80 PolarHBondContact O-N 2.71Å; R77-H80 WeakPolarHBondContact O-CB 3.4Å; R77-H80 PolarHBondContact O-N 2.78Å; L78-H80 VanDerWaalsContact C-N 3.33Å; H80-S82 PolarHBondContact O-N 3.06Å; H80-K83 PolarHBondContact O-N 3.26Å
81	H	95.8	Very high	96.5	Very high	146 Å²	146	83.9 Å²	83.9	68%	0.676	42%	0.424	S	S	*	.	H	α-helix	trans	-61	-32.9	174.6	-74.1	81.3	0	0	0	112	R77 L78 K83	R77-H81 PolarHBondContact O-N 3.5Å; R77-H81 PolarHBondContact O-ND1 3.5Å; L78-H81 PolarHBondContact O-N 3.35Å; H81-K83 PolarHBondContact O-N 3.08Å
82	S	94.5	Very high	96.5	Very high	67 Å²	67	85 Å²	85	47%	0.469	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.3	177.3	-54.1	0	0	0	0	113.5	L78 A79 H80 R84	L78-S82 WeakPolarHBondContact O-CB 3.49Å; L78-S82 PolarHBondContact O-N 3.15Å; L78-S82 VanDerWaalsContact O-N 3.08Å; L78-S82 PolarHBondContact O-OG 2.92Å; A79-S82 CarbonylContact O-C 3.52Å; A79-S82 PolarHBondContact O-N 3.16Å; H80-S82 PolarHBondContact O-N 3.06Å; S82-R84 PolarHBondContact O-N 2.76Å
83	K	95.4	Very high	96.5	Very high	190 Å²	190	85.8 Å²	85.8	83%	0.826	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	34.7	-175	-55.8	178.1	-177.9	178.3	0	113.1	A79 H80 H81	A79-K83 PolarHBondContact O-N 2.89Å; H80-K83 PolarHBondContact O-N 3.26Å; H81-K83 PolarHBondContact O-N 3.08Å
84	R	94.4	Very high	96.4	Very high	126 Å²	126	84.7 Å²	84.7	48%	0.475	42%	0.422	S	S	.	.			trans	-107.3	143.8	177.7	-69.3	-179.7	175.7	-175.9	-9	110.5	A79 S82 E91	A79-R84 PolarHBondContact O-N 3.11Å; S82-R84 PolarHBondContact O-N 2.76Å; R84-E91 IonicContact NH1-OE1 3.23Å; R84-E91 PolarHBondContact NH1-OE1 2.91Å; R84-E91 VanDerWaalsContact NH1-OE1 3.08Å
85	H	94.6	Very high	96.4	Very high	193 Å²	193	83 Å²	83	89%	0.894	41%	0.414	S	S	*	.	S	Bend	trans	-94.7	0.7	174.7	-63.7	-75	0	0	0	113.2
86	T	96.6	Very high	96.4	Very high	106 Å²	106	83.7 Å²	83.7	65%	0.65	42%	0.419	S	S	*	.	S	Bend	trans	-126.7	129	-176.7	-50.8	0	0	0	0	109.4
87	I	96.9	Very high	96.4	Very high	80 Å²	80	86.8 Å²	86.8	41%	0.41	42%	0.42	S	S	.	.			trans	-83	113.7	172.1	-59.7	173.9	0	0	0	107.7	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.85Å; A79-I87 HydrophobicContact CB-CG1 4.02Å; I87-E91 HydrophobicContact CG2-CB 4.16Å; I87-I92 HydrophobicContact CG2-CD1 3.82Å; I87-I92 HydrophobicContact CG2-CG1 3.99Å
88	G	96	Very high	96.4	Very high	29 Å²	29	85.3 Å²	85.3	30%	0.299	42%	0.423	S	S	.	.			trans	-98.2	179	175.7	0	0	0	0	0	112.7	R90 E91 I92	G88-R90 PolarHBondContact O-N 3.45Å; G88-E91 WeakPolarHBondContact CA-OE2 3.41Å; G88-E91 PolarHBondContact N-OE2 3.1Å; G88-E91 PolarHBondContact O-N 3.13Å; G88-I92 WeakPolarHBondContact O-CG1 3.27Å; G88-I92 PolarHBondContact O-N 3.39Å
89	A	95.5	Very high	96.4	Very high	54 Å²	54	86.4 Å²	86.4	45%	0.446	43%	0.428	S	S	.	.	H	α-helix	trans	-59.6	-31.7	175.9	0	0	0	0	0	112.2	I92 Q93	A89-I92 PolarHBondContact O-N 3.12Å; A89-Q93 WeakPolarHBondContact O-CB 3.48Å; A89-Q93 WeakPolarHBondContact O-CG 3.09Å; A89-Q93 PolarHBondContact O-N 3.31Å
90	R	94.8	Very high	96.4	Very high	185 Å²	185	88.1 Å²	88.1	70%	0.698	44%	0.436	S	S	*	.	H	α-helix	trans	-64	-45.8	178.7	-175.4	179.7	178.9	-176.4	-1.3	111.7	G88 Q93 A94	G88-R90 PolarHBondContact O-N 3.45Å; R90-Q93 PolarHBondContact O-N 3.01Å; R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 3.4Å
91	E	96.3	Very high	96.4	Very high	8 Å²	8	85.4 Å²	85.4	4%	0.037	43%	0.433	C	S	.	.	H	α-helix	trans	-65.7	-39.6	179.5	-67.4	74.6	-161.3	0	0	111	A75 L78 A79 R84 I87 G88 A94 A95	A75-E91 HydrophobicContact CB-CB 4.38Å; L78-E91 HydrophobicContact CB-CB 4.36Å; L78-E91 HydrophobicContact CB-CG 4.31Å; L78-E91 WeakPolarHBondContact CD1-O 3.41Å; A79-E91 HydrophobicContact CB-CG 4.19Å; R84-E91 IonicContact NH1-OE1 3.23Å; R84-E91 PolarHBondContact NH1-OE1 2.91Å; R84-E91 VanDerWaalsContact NH1-OE1 3.08Å; I87-E91 HydrophobicContact CG2-CB 4.16Å; G88-E91 WeakPolarHBondContact CA-OE2 3.41Å; G88-E91 PolarHBondContact N-OE2 3.1Å; G88-E91 PolarHBondContact O-N 3.13Å; E91-A94 PolarHBondContact O-N 3Å; E91-A95 WeakPolarHBondContact O-CB 3.39Å; E91-A95 PolarHBondContact O-N 3.28Å
92	I	97.7	Very high	96.4	Very high	68 Å²	68	81.2 Å²	81.2	35%	0.349	43%	0.428	S	S	.	.	H	α-helix	trans	-63.3	-48.2	173.9	-60.4	-69.4	0	0	0	111.3	I71 A75 I87 G88 A89 A94 A95 V96	I71-I92 HydrophobicContact CG2-CD1 4.3Å; I71-I92 HydrophobicContact CG2-CG2 4.21Å; A75-I92 HydrophobicContact CB-CD1 3.65Å; A75-I92 HydrophobicContact CB-CG1 4.45Å; I87-I92 HydrophobicContact CG2-CD1 3.82Å; I87-I92 HydrophobicContact CG2-CG1 3.99Å; G88-I92 WeakPolarHBondContact O-CG1 3.27Å; G88-I92 PolarHBondContact O-N 3.39Å; A89-I92 PolarHBondContact O-N 3.12Å; I92-A94 VanDerWaalsContact C-N 3.29Å; I92-A94 PolarHBondContact O-N 3.38Å; I92-A95 WeakPolarHBondContact O-CB 3.49Å; I92-A95 PolarHBondContact O-N 2.78Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.48Å; I92-V96 PolarHBondContact O-N 2.94Å
93	Q	97	Very high	96.5	Very high	51 Å²	51	82.8 Å²	82.8	24%	0.238	43%	0.429	C	S	.	.	H	α-helix	trans	-63.1	-35.9	179.1	-72.6	174	16.1	0	0	112.4	A89 R90 R97 V109	A89-Q93 WeakPolarHBondContact O-CB 3.48Å; A89-Q93 WeakPolarHBondContact O-CG 3.09Å; A89-Q93 PolarHBondContact O-N 3.31Å; R90-Q93 PolarHBondContact O-N 3.01Å; Q93-R97 WeakPolarHBondContact O-CG 3.49Å; Q93-R97 PolarHBondContact O-N 3.39Å; Q93-R97 PolarHBondContact O-NH1 3.24Å; Q93-V109 HydrophobicContact CG-CG1 4.45Å
94	A	97.1	Very high	96.6	Very high	34 Å²	34	78.5 Å²	78.5	28%	0.281	41%	0.414	S	S	.	.	H	α-helix	trans	-69.5	-43.8	174.5	0	0	0	0	0	111.3	L78 R90 E91 I92 V96 R97 L98	L78-A94 HydrophobicContact CD1-CB 3.66Å; R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 3.4Å; E91-A94 PolarHBondContact O-N 3Å; I92-A94 VanDerWaalsContact C-N 3.29Å; I92-A94 PolarHBondContact O-N 3.38Å; A94-V96 VanDerWaalsContact C-N 3.32Å; A94-V96 PolarHBondContact O-N 2.81Å; A94-R97 PolarHBondContact O-N 2.91Å; A94-R97 VanDerWaalsContact O-N 3.12Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 2.9Å; A94-L98 VanDerWaalsContact O-N 3.1Å
95	A	97.8	Very high	96.7	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-57	-43.9	174.7	0	0	0	0	0	112.3	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.35Å; E74-A95 HydrophobicContact CB-CB 3.89Å; E74-A95 HydrophobicContact CG-CB 4.04Å; A75-A95 HydrophobicContact CB-CB 4.01Å; L78-A95 HydrophobicContact CD1-CB 4.13Å; E91-A95 WeakPolarHBondContact O-CB 3.39Å; E91-A95 PolarHBondContact O-N 3.28Å; I92-A95 WeakPolarHBondContact O-CB 3.49Å; I92-A95 PolarHBondContact O-N 2.78Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 2.94Å; A95-L98 PolarHBondContact O-N 3.35Å; A95-L98 VanDerWaalsContact O-N 3.13Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.23Å
96	V	98.1	Very high	96.8	Very high	15 Å²	15	71.1 Å²	71.1	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-60	-40.5	176.4	171	0	0	0	0	111.9	I71 I92 A94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 4.17Å; I71-V96 HydrophobicContact CG1-CG2 4.4Å; I71-V96 HydrophobicContact CG2-CG2 4.35Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.48Å; I92-V96 PolarHBondContact O-N 2.94Å; A94-V96 VanDerWaalsContact C-N 3.32Å; A94-V96 PolarHBondContact O-N 2.81Å; V96-L98 VanDerWaalsContact C-N 3.3Å; V96-L98 PolarHBondContact O-N 3.01Å; V96-L99 PolarHBondContact O-N 3.37Å; V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.41Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 PolarHBondContact O-N 3.43Å; V96-A108 HydrophobicContact CG1-CB 3.65Å; V96-V109 HydrophobicContact CB-CG2 4.43Å; V96-V109 HydrophobicContact CG1-CG2 4.06Å
97	R	96.9	Very high	96.9	Very high	130 Å²	130	71.5 Å²	71.5	49%	0.491	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-27.2	176.6	-70.2	-179	-173.4	94.8	-12.8	113.5	Q93 A94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.49Å; Q93-R97 PolarHBondContact O-N 3.39Å; Q93-R97 PolarHBondContact O-NH1 3.24Å; A94-R97 PolarHBondContact O-N 2.91Å; A94-R97 VanDerWaalsContact O-N 3.12Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 2.94Å; R97-V109 HydrophobicContact CG-CG2 3.87Å
98	L	97.2	Very high	96.9	Very high	112 Å²	112	69.5 Å²	69.5	59%	0.586	37%	0.371	S	S	*	.	H	α-helix	trans	-79.6	-33.1	175.9	-66.7	174.3	0	0	0	112.3	E74 L78 A94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.42Å; E74-L98 HydrophobicContact CG-CD1 3.97Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.25Å; L78-L98 HydrophobicContact CD1-CD1 4.23Å; L78-L98 HydrophobicContact CD2-CD1 4.32Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 2.9Å; A94-L98 VanDerWaalsContact O-N 3.1Å; A95-L98 PolarHBondContact O-N 3.35Å; A95-L98 VanDerWaalsContact O-N 3.13Å; V96-L98 VanDerWaalsContact C-N 3.3Å; V96-L98 PolarHBondContact O-N 3.01Å
99	L	97.5	Very high	97	Very high	64 Å²	64	68.5 Å²	68.5	34%	0.335	36%	0.359	S	S	.	.	H	α-helix	trans	-89.5	-32.9	-174.2	-68.5	168.5	0	0	0	114	R70 I71 E74 A95 V96	R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.15Å; I71-L99 VanDerWaalsContact CA-CD1 3.49Å; I71-L99 HydrophobicContact CB-CD1 4.15Å; I71-L99 HydrophobicContact CG1-CD1 3.57Å; E74-L99 HydrophobicContact CB-CD1 4.28Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.23Å; V96-L99 PolarHBondContact O-N 3.37Å
100	L	97	Very high	97.1	Very high	39 Å²	39	69.4 Å²	69.4	20%	0.204	36%	0.357	C	S	.	.	S	Bend	trans	-103.6	138	-175.5	-57.9	-178.1	0	0	0	111.5	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.41Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 PolarHBondContact O-N 3.43Å; L100-L104 HydrophobicContact CB-CD2 4.34Å; L100-L104 HydrophobicContact CB-CG 4.3Å; L100-L104 HydrophobicContact CD1-CD2 4.42Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CD2-CD2 4.05Å; L100-S105 WeakPolarHBondContact O-CB 3.47Å; L100-A108 HydrophobicContact CD1-CB 3.69Å
101	P	97	Very high	97.2	Very high	97 Å²	97	65.7 Å²	65.7	63%	0.63	35%	0.347	S	S	*	.			trans	-78.7	144.3	-179.4	30.8	-35.4	0	0	0	112.9	E103 L104	P101-E103 PolarHBondContact O-N 3.43Å; P101-L104 WeakPolarHBondContact O-CB 3.25Å; P101-L104 PolarHBondContact O-N 3.28Å; P101-L104 VanDerWaalsContact O-N 3.12Å
102	G	95.5	Very high	97.3	Very high	57 Å²	57	66.9 Å²	66.9	59%	0.588	36%	0.361	S	S	*	.	H	α-helix	trans	48	-128.4	161.6	0	0	0	0	0	115	L104 S105	G102-L104 PolarHBondContact O-N 3.28Å; G102-S105 PolarHBondContact O-N 3.02Å; G102-S105 PolarHBondContact O-OG 2.88Å
103	E	97.1	Very high	97.3	Very high	101 Å²	101	66.4 Å²	66.4	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-28.7	-177.3	-69.7	-59.4	116.3	0	0	113.2	P101 S105 R106 H107	P101-E103 PolarHBondContact O-N 3.43Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.49Å; E103-R106 WeakPolarHBondContact O-CB 3.28Å; E103-R106 PolarHBondContact O-N 2.89Å; E103-R106 VanDerWaalsContact O-N 3.1Å; E103-R106 IonicContact OE1-CZ 2.74Å; E103-R106 VanDerWaalsContact OE1-CZ 3.29Å; E103-R106 IonicContact OE1-NE 2.8Å; E103-R106 PolarHBondContact OE1-NE 3.34Å; E103-R106 IonicContact OE1-NH2 3.86Å; E103-R106 PolarHBondContact OE1-NH2 2.99Å; E103-R106 IonicContact OE2-CZ 3.29Å; E103-R106 IonicContact OE2-NE 3.05Å; E103-R106 PolarHBondContact OE2-NE 3.33Å; E103-R106 VanDerWaalsContact OE2-NE 3.17Å; E103-H107 PolarHBondContact O-CD2 3.45Å; E103-H107 PolarHBondContact O-N 3.22Å
104	L	97.4	Very high	97.2	Very high	100 Å²	100	69.8 Å²	69.8	52%	0.524	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-38.9	177.2	-174	63	0	0	0	111.4	L100 P101 G102 R106 A108	L100-L104 HydrophobicContact CB-CD2 4.34Å; L100-L104 HydrophobicContact CB-CG 4.3Å; L100-L104 HydrophobicContact CD1-CD2 4.42Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CD2-CD2 4.05Å; P101-L104 WeakPolarHBondContact O-CB 3.25Å; P101-L104 PolarHBondContact O-N 3.28Å; P101-L104 VanDerWaalsContact O-N 3.12Å; G102-L104 PolarHBondContact O-N 3.28Å; L104-R106 VanDerWaalsContact C-N 3.35Å; L104-A108 VanDerWaalsContact O-CB 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.49Å; L104-A108 PolarHBondContact O-N 2.97Å
105	S	97.1	Very high	97.2	Very high	20 Å²	20	71.1 Å²	71.1	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-64.7	-39.6	175.4	75.5	0	0	0	0	112.2	L100 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.47Å; G102-S105 PolarHBondContact O-N 3.02Å; G102-S105 PolarHBondContact O-OG 2.88Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.49Å; S105-A108 PolarHBondContact O-N 2.78Å; S105-V109 WeakPolarHBondContact O-CB 3.49Å; S105-V109 VanDerWaalsContact O-CG2 3.26Å; S105-V109 WeakPolarHBondContact O-CG2 3.34Å; S105-V109 PolarHBondContact O-N 3.25Å
106	R	97.2	Very high	97.1	Very high	144 Å²	144	73.9 Å²	73.9	54%	0.543	40%	0.401	S	S	.	.	H	α-helix	trans	-62.9	-49.1	178.8	-169.6	-165.5	-59.2	-122.6	3.4	110.5	E103 L104 N110	E103-R106 WeakPolarHBondContact O-CB 3.28Å; E103-R106 PolarHBondContact O-N 2.89Å; E103-R106 VanDerWaalsContact O-N 3.1Å; E103-R106 IonicContact OE1-CZ 2.74Å; E103-R106 VanDerWaalsContact OE1-CZ 3.29Å; E103-R106 IonicContact OE1-NE 2.8Å; E103-R106 PolarHBondContact OE1-NE 3.34Å; E103-R106 IonicContact OE1-NH2 3.86Å; E103-R106 PolarHBondContact OE1-NH2 2.99Å; E103-R106 IonicContact OE2-CZ 3.29Å; E103-R106 IonicContact OE2-NE 3.05Å; E103-R106 PolarHBondContact OE2-NE 3.33Å; E103-R106 VanDerWaalsContact OE2-NE 3.17Å; L104-R106 VanDerWaalsContact C-N 3.35Å; R106-N110 WeakPolarHBondContact O-CB 3.44Å; R106-N110 PolarHBondContact O-N 2.94Å; R106-N110 PolarHBondContact O-ND2 3.49Å
107	H	97.8	Very high	97	Very high	113 Å²	113	77.9 Å²	77.9	52%	0.523	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-46.6	177.4	-73.4	-72.8	0	0	0	112	E103 V109 N110 E111	E103-H107 PolarHBondContact O-CD2 3.45Å; E103-H107 PolarHBondContact O-N 3.22Å; H107-V109 PolarHBondContact O-N 3.49Å; H107-N110 PolarHBondContact O-N 3.27Å; H107-E111 WeakPolarHBondContact O-CG 3.48Å; H107-E111 PolarHBondContact O-N 2.88Å
108	A	97.7	Very high	97	Very high	39 Å²	39	78.8 Å²	78.8	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-42.7	-179.5	0	0	0	0	0	112.7	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.65Å; L100-A108 HydrophobicContact CD1-CB 3.69Å; L104-A108 VanDerWaalsContact O-CB 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.49Å; L104-A108 PolarHBondContact O-N 2.97Å; S105-A108 PolarHBondContact O-N 2.78Å; A108-G112 PolarHBondContact O-N 3.49Å
109	V	97.6	Very high	96.9	Very high	7 Å²	7	79.3 Å²	79.3	4%	0.042	42%	0.424	C	S	.	.	H	α-helix	trans	-64.3	-44.6	175.5	169.1	0	0	0	0	111.1	Q93 V96 R97 S105 H107 G112 I113	Q93-V109 HydrophobicContact CG-CG1 4.45Å; V96-V109 HydrophobicContact CB-CG2 4.43Å; V96-V109 HydrophobicContact CG1-CG2 4.06Å; R97-V109 HydrophobicContact CG-CG2 3.87Å; S105-V109 WeakPolarHBondContact O-CB 3.49Å; S105-V109 VanDerWaalsContact O-CG2 3.26Å; S105-V109 WeakPolarHBondContact O-CG2 3.34Å; S105-V109 PolarHBondContact O-N 3.25Å; H107-V109 PolarHBondContact O-N 3.49Å; V109-G112 PolarHBondContact O-N 2.88Å; V109-I113 HydrophobicContact CG1-CD1 3.82Å; V109-I113 HydrophobicContact CG1-CG1 4.42Å; V109-I113 WeakPolarHBondContact O-CG1 3.2Å; V109-I113 PolarHBondContact O-N 2.92Å
110	N	97.6	Very high	96.8	Very high	74 Å²	74	81.9 Å²	81.9	40%	0.396	44%	0.436	S	S	.	.	H	α-helix	trans	-62.6	-43.5	180	-72.2	-13.7	0	0	0	111.9	R106 H107 G112 I113 K114	R106-N110 WeakPolarHBondContact O-CB 3.44Å; R106-N110 PolarHBondContact O-N 2.94Å; R106-N110 PolarHBondContact O-ND2 3.49Å; H107-N110 PolarHBondContact O-N 3.27Å; N110-G112 VanDerWaalsContact C-N 3.31Å; N110-G112 PolarHBondContact O-N 3.46Å; N110-I113 PolarHBondContact O-N 3.44Å; N110-K114 WeakPolarHBondContact O-CG 3.32Å; N110-K114 PolarHBondContact O-N 2.99Å
111	E	97.3	Very high	96.7	Very high	107 Å²	107	84.5 Å²	84.5	50%	0.5	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-38	174.3	-69.4	-53.4	128	0	0	111.8	H107 K114 A115	H107-E111 WeakPolarHBondContact O-CG 3.48Å; H107-E111 PolarHBondContact O-N 2.88Å; E111-K114 PolarHBondContact O-N 2.87Å; E111-K114 IonicContact OE1-NZ 3.65Å; E111-K114 PolarHBondContact OE1-NZ 2.93Å; E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 2.91Å
112	G	97.2	Very high	96.5	Very high	32 Å²	32	84.7 Å²	84.7	33%	0.33	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174	0	0	0	0	0	113.3	A108 V109 N110 A115 V116	A108-G112 PolarHBondContact O-N 3.49Å; V109-G112 PolarHBondContact O-N 2.88Å; N110-G112 VanDerWaalsContact C-N 3.31Å; N110-G112 PolarHBondContact O-N 3.46Å; G112-A115 PolarHBondContact O-N 3.08Å; G112-V116 WeakPolarHBondContact O-CG2 3.42Å; G112-V116 PolarHBondContact O-N 2.85Å; G112-V116 VanDerWaalsContact O-N 3.07Å
113	I	97	Very high	95.3	Very high	58 Å²	58	91.3 Å²	91.3	30%	0.297	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-49.1	177.6	-67.8	166.4	0	0	0	110.4	V109 N110 A115 V116 D117	V109-I113 HydrophobicContact CG1-CD1 3.82Å; V109-I113 HydrophobicContact CG1-CG1 4.42Å; V109-I113 WeakPolarHBondContact O-CG1 3.2Å; V109-I113 PolarHBondContact O-N 2.92Å; N110-I113 PolarHBondContact O-N 3.44Å; I113-A115 PolarHBondContact O-N 3.29Å; I113-V116 PolarHBondContact O-N 3.44Å; I113-V116 VanDerWaalsContact O-N 3.08Å; I113-D117 WeakPolarHBondContact CG2-OD2 3.46Å; I113-D117 PolarHBondContact O-N 3.08Å
114	K	96.8	Very high	95.2	Very high	123 Å²	123	90.9 Å²	90.9	54%	0.535	47%	0.469	S	S	.	.	H	α-helix	trans	-54.5	-41.7	176.3	-70.5	173.6	-171.1	171.7	0	112.2	N110 E111 K118	N110-K114 WeakPolarHBondContact O-CG 3.32Å; N110-K114 PolarHBondContact O-N 2.99Å; E111-K114 PolarHBondContact O-N 2.87Å; E111-K114 IonicContact OE1-NZ 3.65Å; E111-K114 PolarHBondContact OE1-NZ 2.93Å; K114-K118 VanDerWaalsContact O-CB 3.3Å; K114-K118 WeakPolarHBondContact O-CB 3.2Å; K114-K118 PolarHBondContact O-N 2.88Å
115	A	96.3	Very high	95.1	Very high	62 Å²	62	90.4 Å²	90.4	51%	0.512	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-41.3	178.8	0	0	0	0	0	112.3	E111 G112 I113 Y119	E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 2.91Å; G112-A115 PolarHBondContact O-N 3.08Å; I113-A115 PolarHBondContact O-N 3.29Å; A115-Y119 WeakPolarHBondContact O-CB 3.49Å; A115-Y119 PolarHBondContact O-N 3.19Å
116	V	95.8	Very high	95	Very high	58 Å²	58	94.3 Å²	94.3	35%	0.352	49%	0.485	S	S	.	.	H	α-helix	trans	-65.7	-47.1	176.1	173.3	0	0	0	0	110.8	G112 I113 K118 Y119 M120	G112-V116 WeakPolarHBondContact O-CG2 3.42Å; G112-V116 PolarHBondContact O-N 2.85Å; G112-V116 VanDerWaalsContact O-N 3.07Å; I113-V116 PolarHBondContact O-N 3.44Å; I113-V116 VanDerWaalsContact O-N 3.08Å; V116-K118 PolarHBondContact O-N 3.34Å; V116-Y119 WeakPolarHBondContact O-CB 3.27Å; V116-Y119 PolarHBondContact O-N 3.45Å; V116-Y119 VanDerWaalsContact O-N 3.17Å; V116-M120 HydrophobicContact CG1-CE 4.25Å; V116-M120 HydrophobicContact CG1-CG 4.39Å; V116-M120 WeakPolarHBondContact O-CG 3.5Å; V116-M120 PolarHBondContact O-N 3.19Å
117	D	95.9	Very high	94.8	Very high	99 Å²	99	91.4 Å²	91.4	53%	0.529	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-45.6	179.4	-66.3	-17.7	0	0	0	111.1	I113 Y119 M120 S121	I113-D117 WeakPolarHBondContact CG2-OD2 3.46Å; I113-D117 PolarHBondContact O-N 3.08Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.46Å; D117-M120 PolarHBondContact O-N 2.72Å; D117-S121 PolarHBondContact O-N 3.44Å
118	K	96.8	Very high	94.6	Very high	149 Å²	149	90 Å²	90	65%	0.648	48%	0.479	S	S	*	.	H	α-helix	trans	-58.3	-46.7	174.8	-176.2	175.3	-179.1	176.6	0	111.2	K114 V116 M120 S121 T122	K114-K118 VanDerWaalsContact O-CB 3.3Å; K114-K118 WeakPolarHBondContact O-CB 3.2Å; K114-K118 PolarHBondContact O-N 2.88Å; V116-K118 PolarHBondContact O-N 3.34Å; K118-M120 VanDerWaalsContact C-N 3.33Å; K118-M120 PolarHBondContact O-N 2.94Å; K118-S121 PolarHBondContact O-N 3.36Å; K118-S121 PolarHBondContact O-OG 2.94Å; K118-T122 WeakPolarHBondContact O-CG2 3.47Å; K118-T122 PolarHBondContact O-N 3.01Å; K118-T122 PolarHBondContact O-OG1 3.39Å
119	Y	96	Very high	94.4	Very high	123 Å²	123	93.4 Å²	93.4	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-60.2	-42.4	178.4	178.5	-100.7	0	0	0	112.5	A115 V116 D117 S121 T122 K123	A115-Y119 WeakPolarHBondContact O-CB 3.49Å; A115-Y119 PolarHBondContact O-N 3.19Å; V116-Y119 WeakPolarHBondContact O-CB 3.27Å; V116-Y119 PolarHBondContact O-N 3.45Å; V116-Y119 VanDerWaalsContact O-N 3.17Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.46Å; Y119-S121 VanDerWaalsContact C-N 3.33Å; Y119-S121 PolarHBondContact O-N 3.28Å; Y119-T122 PolarHBondContact O-N 3.26Å; Y119-T122 PolarHBondContact O-OG1 3Å; Y119-K123 HydrophobicContact CE1-CD 4.24Å; Y119-K123 WeakPolarHBondContact OH-CE 3.38Å; Y119-K123 PolarHBondContact OH-NZ 2.99Å; Y119-K123 VanDerWaalsContact OH-NZ 3.08Å
120	M	94.9	Very high	94.2	Very high	117 Å²	117	99.6 Å²	99.6	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-67.2	-32.8	177.7	-64.2	-58.6	174.4	0	0	112.4	V116 D117 K118 T122	V116-M120 HydrophobicContact CG1-CE 4.25Å; V116-M120 HydrophobicContact CG1-CG 4.39Å; V116-M120 WeakPolarHBondContact O-CG 3.5Å; V116-M120 PolarHBondContact O-N 3.19Å; D117-M120 PolarHBondContact O-N 2.72Å; K118-M120 VanDerWaalsContact C-N 3.33Å; K118-M120 PolarHBondContact O-N 2.94Å; M120-T122 VanDerWaalsContact C-N 3.32Å; M120-T122 PolarHBondContact O-N 3.33Å
121	S	95.3	Very high	94	Very high	94 Å²	94	101.5 Å²	101.5	66%	0.657	53%	0.531	S	S	*	.	H	α-helix	trans	-72.9	-21.7	176.9	72.2	0	0	0	0	114.4	D117 K118 Y119	D117-S121 PolarHBondContact O-N 3.44Å; K118-S121 PolarHBondContact O-N 3.36Å; K118-S121 PolarHBondContact O-OG 2.94Å; Y119-S121 VanDerWaalsContact C-N 3.33Å; Y119-S121 PolarHBondContact O-N 3.28Å
122	T	92.5	Very high	93.7	Very high	102 Å²	102	101.1 Å²	101.1	63%	0.626	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.1	-178.7	53.5	0	0	0	0	114.5	K118 Y119 M120	K118-T122 WeakPolarHBondContact O-CG2 3.47Å; K118-T122 PolarHBondContact O-N 3.01Å; K118-T122 PolarHBondContact O-OG1 3.39Å; Y119-T122 PolarHBondContact O-N 3.26Å; Y119-T122 PolarHBondContact O-OG1 3Å; M120-T122 VanDerWaalsContact C-N 3.32Å; M120-T122 PolarHBondContact O-N 3.33Å
123	K	69.8	Low	93.4	Very high	196 Å²	196	107.4 Å²	107.4	85%	0.852	55%	0.552	S	S	*	*			trans	-92.6	0	172	-89	-171.3	173.9	174.4	0	110.5	Y119	Y119-K123 HydrophobicContact CE1-CD 4.24Å; Y119-K123 WeakPolarHBondContact OH-CE 3.38Å; Y119-K123 PolarHBondContact OH-NZ 2.99Å; Y119-K123 VanDerWaalsContact OH-NZ 3.08Å

Retrieved 123 of 123 residues in 104.1 ms (Link to these results)

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