A0A077ZKV8_TRITR Loading...

Histone H2B

Core component of nucleosome. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling.

AlphaFold DB , UniProt , Accession A0A077ZKV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZKV8_TRITR|A0A077ZKV8
MAGKAVVKGVKKAGKAQKVTKGGDKKRRKSRKESFATYIYKVLKQVHPDTGISSKAMSIMNSFVNDVFDRIGAEASRLAHYNNRHTISSREIQTAVRLLLPGELSKHAVSEGTKAVTKYTSAK
					

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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	51.8	Low	252 Å²	252	149.3 Å²	149.3	100%	1.241	89%	0.885	S	S	*	*				0	93.4	0	-67.1	-83.5	-155.2	0	0	107.4
2	A	50.1	Low	51.6	Low	105 Å²	105	153.9 Å²	153.9	87%	0.868	89%	0.885	S	S	*	*			trans	-96.3	137.1	-167.5	0	0	0	0	0	111.9
3	G	46.2	Very low	51.6	Low	80 Å²	80	149.8 Å²	149.8	83%	0.825	88%	0.881	S	S	*	*			trans	-74.7	151.6	179.9	0	0	0	0	0	114.2
4	K	52.4	Low	51.4	Low	208 Å²	208	144.4 Å²	144.4	90%	0.904	87%	0.873	S	S	*	*			trans	-114.9	104.9	170.9	-113.8	176.2	176.8	177.5	0	108.8
5	A	54.5	Low	51.3	Low	97 Å²	97	148.7 Å²	148.7	80%	0.802	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-81.2	131	169	0	0	0	0	0	109.7
6	V	58.8	Low	51.3	Low	145 Å²	145	145.8 Å²	145.8	88%	0.879	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-88.4	121.8	-179.4	-174.8	0	0	0	0	109.2
7	V	58.4	Low	51.6	Low	141 Å²	141	148.3 Å²	148.3	86%	0.855	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-74.5	126.4	-173.9	-166.9	0	0	0	0	110.4	G9	V7-G9 PolarHBondContact O-N 3.19Å
8	K	48.8	Very low	51.6	Low	197 Å²	197	151.2 Å²	151.2	86%	0.857	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.2	-179.3	-145.5	173.9	-172.5	174.2	0	109.7	V10	K8-V10 PolarHBondContact O-N 3.1Å
9	G	46.1	Very low	51.9	Low	75 Å²	75	150.5 Å²	150.5	77%	0.773	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-62.8	125.6	-179.8	0	0	0	0	0	113.3	V7 K11	V7-G9 PolarHBondContact O-N 3.19Å; G9-K11 PolarHBondContact O-N 3.2Å
10	V	54.6	Low	52	Low	141 Å²	141	149.3 Å²	149.3	86%	0.855	87%	0.867	S	S	*	*			trans	-79.2	112.8	174.1	178.4	0	0	0	0	108.9	K8 K12	K8-V10 PolarHBondContact O-N 3.1Å; V10-K12 PolarHBondContact O-N 3.2Å
11	K	54	Low	51.9	Low	201 Å²	201	152 Å²	152	87%	0.874	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-69.7	116.2	171	-87.6	-179	174.9	175.8	0	109.6	G9	G9-K11 PolarHBondContact O-N 3.2Å
12	K	48.7	Very low	52.1	Low	205 Å²	205	143.6 Å²	143.6	89%	0.891	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-53.3	133.9	170.7	-89.9	176.7	172.1	173.7	0	111.2	V10 G14	V10-K12 PolarHBondContact O-N 3.2Å; K12-G14 PolarHBondContact O-N 3.36Å
13	A	51.7	Low	51.9	Low	101 Å²	101	141.1 Å²	141.1	84%	0.835	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-53.2	124	172.5	0	0	0	0	0	111.4
14	G	49.2	Very low	52	Low	74 Å²	74	145.3 Å²	145.3	76%	0.763	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-67.2	136.4	175.2	0	0	0	0	0	111.4	K12	K12-G14 PolarHBondContact O-N 3.36Å
15	K	50.2	Low	52.3	Low	208 Å²	208	143.7 Å²	143.7	90%	0.904	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-46.6	134.1	178.6	-74.4	172	171.4	176.4	0	112.4	Q17	K15-Q17 PolarHBondContact O-N 3.32Å
16	A	51.5	Low	52.4	Low	102 Å²	102	148.6 Å²	148.6	84%	0.843	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-49.2	118.1	170.7	0	0	0	0	0	111.2	K18	A16-K18 PolarHBondContact O-N 3.44Å
17	Q	55.9	Low	52.2	Low	189 Å²	189	153.4 Å²	153.4	88%	0.883	83%	0.832	S	S	*	*			trans	-66.7	113.4	168.4	-90	175.5	-50	0	0	108.8	K15 V19	K15-Q17 PolarHBondContact O-N 3.32Å; Q17-V19 PolarHBondContact O-N 3.05Å; Q17-V19 VanDerWaalsContact O-N 3.1Å
18	K	52.2	Low	52.3	Low	201 Å²	201	157.3 Å²	157.3	87%	0.874	83%	0.832	S	S	*	*			trans	-55.1	111.8	166.8	-127.1	177.6	-178.7	-178.9	0	107.9	A16 T20	A16-K18 PolarHBondContact O-N 3.44Å; K18-T20 PolarHBondContact O-N 3Å
19	V	56.2	Low	52.8	Low	137 Å²	137	156.9 Å²	156.9	83%	0.83	83%	0.83	S	S	*	*			trans	-67	100.4	172.8	-168.2	0	0	0	0	107	Q17 K21	Q17-V19 PolarHBondContact O-N 3.05Å; Q17-V19 VanDerWaalsContact O-N 3.1Å; V19-K21 PolarHBondContact O-N 2.83Å
20	T	55	Low	53.5	Low	127 Å²	127	158.3 Å²	158.3	78%	0.779	83%	0.828	S	S	*	*			trans	-68.5	111.8	170.1	41.4	0	0	0	0	107.7	K18 G22	K18-T20 PolarHBondContact O-N 3Å; T20-G22 PolarHBondContact O-N 3.49Å
21	K	50.1	Low	54	Low	207 Å²	207	162.1 Å²	162.1	90%	0.9	83%	0.827	S	S	*	*			trans	-62.5	91.4	163.2	-85.2	-175.8	173.3	175.6	0	107.1	V19 G23	V19-K21 PolarHBondContact O-N 2.83Å; K21-G23 PolarHBondContact O-N 3.43Å
22	G	50.2	Low	54.8	Low	75 Å²	75	161.1 Å²	161.1	77%	0.773	82%	0.823	S	S	*	*			trans	-61.4	107.9	173.1	0	0	0	0	0	109.1	T20	T20-G22 PolarHBondContact O-N 3.49Å
23	G	45.6	Very low	56.3	Low	52 Å²	52	160.7 Å²	160.7	54%	0.536	82%	0.824	S	S	.	*			trans	-59.6	150.2	175.3	0	0	0	0	0	113.1	K21 K25	K21-G23 PolarHBondContact O-N 3.43Å; G23-K25 VanDerWaalsContact C-N 3.33Å; G23-K25 PolarHBondContact O-N 3.05Å
24	D	48.4	Very low	58.3	Low	168 Å²	168	158.4 Å²	158.4	90%	0.898	80%	0.802	S	S	*	*			trans	47.4	38.7	144.2	-59	-57	0	0	0	118.7	K26	D24-K26 PolarHBondContact O-N 3Å
25	K	57.3	Low	60.4	Low	175 Å²	175	157.9 Å²	157.9	76%	0.761	78%	0.779	S	S	*	*			trans	-78.1	76.2	155.4	-77	-177.6	-177.9	171	0	109.5	G23 R27	G23-K25 VanDerWaalsContact C-N 3.33Å; G23-K25 PolarHBondContact O-N 3.05Å; K25-R27 PolarHBondContact O-N 2.97Å
26	K	56.7	Low	62.6	Low	200 Å²	200	149.4 Å²	149.4	87%	0.87	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	14.9	86.8	150.1	-151.9	176.1	-165.7	175.6	0	111.8	D24 R28	D24-K26 PolarHBondContact O-N 3Å; K26-R28 PolarHBondContact O-N 3.34Å
27	R	55.5	Low	64.6	Low	246 Å²	246	148.3 Å²	148.3	93%	0.928	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	0.8	90	179.7	-75.7	178.3	174	169.1	-2.2	111.9	K25 K29	K25-R27 PolarHBondContact O-N 2.97Å; R27-K29 VanDerWaalsContact C-N 3.32Å; R27-K29 PolarHBondContact O-N 2.94Å
28	R	60.3	Low	66.5	Low	223 Å²	223	146 Å²	146	84%	0.842	71%	0.714	S	S	*	*			trans	-51.9	105.9	168.2	-87.5	-175.1	164.4	-179.2	-4.8	106.2	K26 S30	K26-R28 PolarHBondContact O-N 3.34Å; R28-S30 PolarHBondContact O-N 3.23Å; R28-S30 VanDerWaalsContact O-N 3.09Å
29	K	60	Low	68.6	Low	188 Å²	188	137.5 Å²	137.5	82%	0.817	68%	0.678	S	S	*	*			trans	-46	121.8	178.5	-165.5	172.7	-173.6	174.2	0	106.1	R27 R31	R27-K29 VanDerWaalsContact C-N 3.32Å; R27-K29 PolarHBondContact O-N 2.94Å; K29-R31 PolarHBondContact O-N 3.01Å
30	S	59.8	Low	70.6	Confident	105 Å²	105	136.7 Å²	136.7	73%	0.734	66%	0.661	S	S	*	*			trans	-41.8	122.2	-179.9	179.9	0	0	0	0	108	R28 K32	R28-S30 PolarHBondContact O-N 3.23Å; R28-S30 VanDerWaalsContact O-N 3.09Å; S30-K32 PolarHBondContact O-N 3.2Å
31	R	65.2	Low	72.5	Confident	220 Å²	220	136.5 Å²	136.5	83%	0.83	65%	0.649	S	S	*	*			trans	-61.2	106.7	-175.3	-177.1	179	-174.2	170.3	0.7	106	K29 E33	K29-R31 PolarHBondContact O-N 3.01Å; R31-E33 PolarHBondContact O-N 3.2Å; R31-E33 VanDerWaalsContact O-N 3.11Å
32	K	70.4	Confident	74.7	Confident	181 Å²	181	130.6 Å²	130.6	79%	0.787	63%	0.63	S	S	*	*			trans	-62.3	117	172	-72.8	-169.4	173.3	-167.9	0	106.8	S30 S34	S30-K32 PolarHBondContact O-N 3.2Å; K32-S34 PolarHBondContact O-N 3.49Å
33	E	81	Confident	77	Confident	196 Å²	196	128.5 Å²	128.5	92%	0.916	60%	0.601	S	S	*	*			trans	-59.1	124.1	169.1	-65.8	-176.6	161.9	0	0	107.5	R31	R31-E33 PolarHBondContact O-N 3.2Å; R31-E33 VanDerWaalsContact O-N 3.11Å
34	S	92.7	Very high	79.5	Confident	52 Å²	52	129.1 Å²	129.1	36%	0.364	59%	0.589	S	S	.	*			trans	-154.2	145.5	-174.1	171.6	0	0	0	0	109.5	K32 A36 N61	K32-S34 PolarHBondContact O-N 3.49Å; S34-A36 PolarHBondContact O-N 2.93Å; S34-A36 WeakPolarHBondContact OG-CB 3.37Å; S34-A36 PolarHBondContact OG-N 2.93Å; S34-A36 VanDerWaalsContact OG-N 3.12Å; S34-N61 WeakPolarHBondContact CA-OD1 3.37Å; S34-N61 PolarHBondContact OG-OD1 3.18Å
35	F	95	Very high	81.8	Confident	64 Å²	64	128.5 Å²	128.5	28%	0.281	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	0.7	175	-65.6	-78.9	0	0	0	113.5	T37 Y38 I39 N61 V64 N65	F35-T37 VanDerWaalsContact C-N 3.28Å; F35-T37 PolarHBondContact O-N 2.98Å; F35-T37 VanDerWaalsContact O-N 3.14Å; F35-Y38 HydrophobicContact CD1-CD2 4.16Å; F35-Y38 PolarHBondContact O-N 3.25Å; F35-I39 HydrophobicContact CB-CD1 3.98Å; F35-I39 HydrophobicContact CB-CG1 4.32Å; F35-I39 WeakPolarHBondContact O-CG1 3.34Å; F35-I39 PolarHBondContact O-N 3.06Å; F35-N61 PolarHBondContact N-OD1 2.87Å; F35-V64 HydrophobicContact CB-CB 4.49Å; F35-V64 HydrophobicContact CB-CG1 4.27Å; F35-V64 HydrophobicContact CD1-CG1 3.91Å; F35-V64 HydrophobicContact CD2-CB 4.04Å; F35-V64 HydrophobicContact CD2-CG1 3.53Å; F35-V64 HydrophobicContact CE1-CG1 4.1Å; F35-V64 HydrophobicContact CE2-CG1 3.74Å; F35-V64 HydrophobicContact CG-CB 4.25Å; F35-V64 HydrophobicContact CG-CG1 3.62Å; F35-V64 HydrophobicContact CZ-CG1 4.02Å; F35-N65 VanDerWaalsContact CE2-OD1 3.23Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.39Å
36	A	94.8	Very high	83.7	Confident	29 Å²	29	124.7 Å²	124.7	24%	0.24	57%	0.572	C	S	.	*	H	α-helix	trans	-53.4	-40.1	-172.9	0	0	0	0	0	114	S34 Y38 Y40 M57	S34-A36 PolarHBondContact O-N 2.93Å; S34-A36 WeakPolarHBondContact OG-CB 3.37Å; S34-A36 PolarHBondContact OG-N 2.93Å; S34-A36 VanDerWaalsContact OG-N 3.12Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.33Å; A36-Y40 WeakPolarHBondContact O-CB 3.5Å; A36-Y40 PolarHBondContact O-N 3.28Å; A36-M57 HydrophobicContact CB-CG 3.99Å; A36-M57 HydrophobicContact CB-SD 3.76Å
37	T	94.7	Very high	85.7	Confident	79 Å²	79	120.1 Å²	120.1	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-39.7	176.9	-56.5	0	0	0	0	112	F35 K41	F35-T37 VanDerWaalsContact C-N 3.28Å; F35-T37 PolarHBondContact O-N 2.98Å; F35-T37 VanDerWaalsContact O-N 3.14Å; T37-K41 WeakPolarHBondContact O-CG 3.34Å; T37-K41 PolarHBondContact O-N 2.88Å; T37-K41 VanDerWaalsContact O-N 3.07Å
38	Y	95.2	Very high	87.7	Confident	142 Å²	142	112.2 Å²	112.2	56%	0.557	53%	0.534	S	S	*	.	H	α-helix	trans	-76.2	-40.3	-179.1	-54.1	-73.6	0	0	0	111.4	F35 A36 Y40 K41 V42	F35-Y38 HydrophobicContact CD1-CD2 4.16Å; F35-Y38 PolarHBondContact O-N 3.25Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.33Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 3.09Å; Y38-K41 PolarHBondContact O-N 3.11Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; Y38-V42 WeakPolarHBondContact O-CG2 3.34Å; Y38-V42 PolarHBondContact O-N 2.78Å
39	I	96.9	Very high	89.4	Confident	22 Å²	22	109.3 Å²	109.3	11%	0.113	54%	0.536	C	S	.	.	H	α-helix	trans	-56.2	-46	173.5	-65.3	162	0	0	0	109.8	F35 V42 L43 I52 M57 M60 N61	F35-I39 HydrophobicContact CB-CD1 3.98Å; F35-I39 HydrophobicContact CB-CG1 4.32Å; F35-I39 WeakPolarHBondContact O-CG1 3.34Å; F35-I39 PolarHBondContact O-N 3.06Å; I39-V42 PolarHBondContact O-N 2.9Å; I39-L43 WeakPolarHBondContact O-CB 3.5Å; I39-L43 PolarHBondContact O-N 3.37Å; I39-I52 HydrophobicContact CG2-CD1 4.34Å; I39-M57 HydrophobicContact CB-CE 4.48Å; I39-M57 HydrophobicContact CB-SD 3.87Å; I39-M57 HydrophobicContact CD1-SD 4.06Å; I39-M57 HydrophobicContact CG2-CE 4.2Å; I39-M57 HydrophobicContact CG2-SD 3.72Å; I39-M60 HydrophobicContact CD1-CB 3.84Å; I39-M60 HydrophobicContact CG1-CB 4.48Å; I39-M60 HydrophobicContact CG2-CB 4.12Å; I39-M60 HydrophobicContact CG2-CG 4.5Å; I39-N61 HydrophobicContact CD1-CB 4.24Å
40	Y	96.8	Very high	91.2	Very high	120 Å²	120	103.7 Å²	103.7	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-41	177.1	-171.2	-100.2	0	0	0	113.1	A36 Y38 L43 K44 I52	A36-Y40 WeakPolarHBondContact O-CB 3.5Å; A36-Y40 PolarHBondContact O-N 3.28Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 3.09Å; Y40-L43 PolarHBondContact O-N 3.5Å; Y40-K44 HydrophobicContact CD1-CG 4.27Å; Y40-K44 HydrophobicContact CE1-CG 3.81Å; Y40-K44 HydrophobicContact CE2-CG 4.33Å; Y40-K44 PolarHBondContact O-N 3.41Å; Y40-K44 WeakPolarHBondContact OH-CE 3.18Å; Y40-I52 HydrophobicContact CD2-CG2 4.44Å
41	K	96.4	Very high	93	Very high	122 Å²	122	101.5 Å²	101.5	53%	0.53	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-46.2	176.4	-78.6	176.9	177.3	-175.6	0	111.8	T37 Y38 K44 Q45	T37-K41 WeakPolarHBondContact O-CG 3.34Å; T37-K41 PolarHBondContact O-N 2.88Å; T37-K41 VanDerWaalsContact O-N 3.07Å; Y38-K41 PolarHBondContact O-N 3.11Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 2.99Å; K41-Q45 VanDerWaalsContact O-CG 3.31Å; K41-Q45 WeakPolarHBondContact O-CG 3.27Å; K41-Q45 PolarHBondContact O-N 3.06Å; K41-Q45 VanDerWaalsContact O-N 3.13Å
42	V	96.3	Very high	94.5	Very high	83 Å²	83	93.7 Å²	93.7	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-42.7	178.3	175.4	0	0	0	0	110.6	Y38 I39 K44 Q45 V46	Y38-V42 WeakPolarHBondContact O-CG2 3.34Å; Y38-V42 PolarHBondContact O-N 2.78Å; I39-V42 PolarHBondContact O-N 2.9Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 3.41Å; V42-Q45 WeakPolarHBondContact O-CB 3.46Å; V42-Q45 PolarHBondContact O-N 2.91Å; V42-Q45 VanDerWaalsContact O-N 3.11Å; V42-V46 PolarHBondContact O-N 2.89Å; V42-V46 VanDerWaalsContact O-N 3.14Å
43	L	97.6	Very high	95.8	Very high	31 Å²	31	88.4 Å²	88.4	16%	0.162	47%	0.471	C	S	.	.	H	α-helix	trans	-55.7	-47.8	175.9	176.3	64.2	0	0	0	111.6	I39 Y40 Q45 V46 H47 T50 I52	I39-L43 WeakPolarHBondContact O-CB 3.5Å; I39-L43 PolarHBondContact O-N 3.37Å; Y40-L43 PolarHBondContact O-N 3.5Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.44Å; L43-V46 PolarHBondContact O-N 3.41Å; L43-H47 HydrophobicContact CD1-CB 4.3Å; L43-H47 CarbonylContact O-C 3.59Å; L43-H47 WeakPolarHBondContact O-CA 3.24Å; L43-H47 PolarHBondContact O-N 3.49Å; L43-T50 HydrophobicContact CD1-CG2 4.48Å; L43-I52 HydrophobicContact CD2-CB 3.71Å; L43-I52 HydrophobicContact CD2-CG2 3.71Å
44	K	97.9	Very high	96.5	Very high	66 Å²	66	84.3 Å²	84.3	29%	0.287	46%	0.464	S	S	.	.	H	α-helix	trans	-71.3	-19.7	-179.9	-69.7	-54.4	-167.9	-175.3	0	114.2	Y40 K41 V42 P48 T50	Y40-K44 HydrophobicContact CD1-CG 4.27Å; Y40-K44 HydrophobicContact CE1-CG 3.81Å; Y40-K44 HydrophobicContact CE2-CG 4.33Å; Y40-K44 PolarHBondContact O-N 3.41Å; Y40-K44 WeakPolarHBondContact OH-CE 3.18Å; K41-K44 PolarHBondContact O-N 2.99Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 3.41Å; K44-P48 WeakPolarHBondContact CD-O 3.48Å; K44-P48 PolarHBondContact NZ-O 3.17Å; K44-T50 PolarHBondContact NZ-O 3.39Å
45	Q	97	Very high	96.8	Very high	154 Å²	154	89.4 Å²	89.4	72%	0.72	48%	0.48	S	S	*	.	H	α-helix	trans	-75.5	-34	171.9	-75.2	174.7	-31.6	0	0	112.4	K41 V42 L43	K41-Q45 VanDerWaalsContact O-CG 3.31Å; K41-Q45 WeakPolarHBondContact O-CG 3.27Å; K41-Q45 PolarHBondContact O-N 3.06Å; K41-Q45 VanDerWaalsContact O-N 3.13Å; V42-Q45 WeakPolarHBondContact O-CB 3.46Å; V42-Q45 PolarHBondContact O-N 2.91Å; V42-Q45 VanDerWaalsContact O-N 3.11Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.44Å
46	V	97.8	Very high	96.9	Very high	95 Å²	95	88 Å²	88	58%	0.576	48%	0.479	S	S	*	.	H	α-helix	trans	-95	-37.8	-177.3	-175.8	0	0	0	0	112.1	V42 L43	V42-V46 PolarHBondContact O-N 2.89Å; V42-V46 VanDerWaalsContact O-N 3.14Å; L43-V46 PolarHBondContact O-N 3.41Å
47	H	97.6	Very high	97	Very high	104 Å²	104	88.2 Å²	88.2	48%	0.481	48%	0.476	S	S	.	.			trans	-136.1	83.3	-178.5	-60.9	-61.5	0	0	0	111.3	L43 D49 T50	L43-H47 HydrophobicContact CD1-CB 4.3Å; L43-H47 CarbonylContact O-C 3.59Å; L43-H47 WeakPolarHBondContact O-CA 3.24Å; L43-H47 PolarHBondContact O-N 3.49Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 2.91Å; H47-T50 PolarHBondContact O-N 3.49Å
48	P	97.6	Very high	97.1	Very high	81 Å²	81	87.8 Å²	87.8	53%	0.526	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.8	-177.4	-26.7	35.6	0	0	0	114.1	K44	K44-P48 WeakPolarHBondContact CD-O 3.48Å; K44-P48 PolarHBondContact NZ-O 3.17Å
49	D	97.6	Very high	97.2	Very high	162 Å²	162	86.1 Å²	86.1	87%	0.866	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.8	-174.2	-53.3	-45.6	0	0	0	113.7	H47	H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 2.91Å
50	T	97.2	Very high	97.2	Very high	69 Å²	69	88.7 Å²	88.7	42%	0.423	49%	0.489	S	S	.	.			trans	-96.1	138.9	-178.5	-60.3	0	0	0	0	111.5	L43 K44 H47	L43-T50 HydrophobicContact CD1-CG2 4.48Å; K44-T50 PolarHBondContact NZ-O 3.39Å; H47-T50 PolarHBondContact O-N 3.49Å
51	G	96.7	Very high	97.2	Very high	60 Å²	60	84.2 Å²	84.2	62%	0.619	47%	0.473	S	S	*	.			trans	-101.2	170.3	170.6	0	0	0	0	0	112.2
52	I	97.8	Very high	97.3	Very high	56 Å²	56	81.4 Å²	81.4	29%	0.287	47%	0.468	S	S	.	.			trans	-130.7	134	175	-174.1	170.9	0	0	0	109.6	I39 Y40 L43 A56 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.34Å; Y40-I52 HydrophobicContact CD2-CG2 4.44Å; L43-I52 HydrophobicContact CD2-CB 3.71Å; L43-I52 HydrophobicContact CD2-CG2 3.71Å; I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.6Å; I52-M57 HydrophobicContact CD1-CE 4.48Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; I52-M60 HydrophobicContact CD1-CG 4.26Å
53	S	97.7	Very high	97.3	Very high	70 Å²	70	83.2 Å²	83.2	49%	0.49	47%	0.47	S	S	.	.			trans	-71	159.1	178	72.5	0	0	0	0	111.5	K55 A56 M57	S53-K55 VanDerWaalsContact C-N 3.28Å; S53-K55 PolarHBondContact O-N 2.51Å; S53-A56 PolarHBondContact O-N 3.22Å; S53-A56 WeakPolarHBondContact OG-CB 3.48Å; S53-A56 PolarHBondContact OG-N 3.12Å; S53-A56 VanDerWaalsContact OG-N 3.15Å; S53-M57 WeakPolarHBondContact O-CB 3.29Å; S53-M57 PolarHBondContact O-N 2.94Å
54	S	96.4	Very high	97.3	Very high	110 Å²	110	83.8 Å²	83.8	77%	0.769	48%	0.475	S	S	*	.	H	α-helix	trans	-60.4	-38	176.2	56.8	0	0	0	0	112.5	M57 S58	S54-M57 PolarHBondContact O-N 2.86Å; S54-S58 PolarHBondContact O-N 2.8Å
55	K	97.6	Very high	97.2	Very high	159 Å²	159	83.6 Å²	83.6	69%	0.691	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-47.8	175.4	-172.7	175.6	-179	179.6	0	111.1	S53 M57 S58 I59	S53-K55 VanDerWaalsContact C-N 3.28Å; S53-K55 PolarHBondContact O-N 2.51Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 2.78Å; K55-S58 WeakPolarHBondContact O-CB 3.25Å; K55-S58 PolarHBondContact O-N 3.27Å; K55-I59 HydrophobicContact CG-CD1 4.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.27Å; K55-I59 PolarHBondContact O-N 3.16Å
56	A	97.9	Very high	97.2	Very high	33 Å²	33	79.6 Å²	79.6	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-40.2	177.1	0	0	0	0	0	111.8	I52 S53 S58 I59 M60	I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.6Å; S53-A56 PolarHBondContact O-N 3.22Å; S53-A56 WeakPolarHBondContact OG-CB 3.48Å; S53-A56 PolarHBondContact OG-N 3.12Å; S53-A56 VanDerWaalsContact OG-N 3.15Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.09Å; A56-I59 PolarHBondContact O-N 2.79Å; A56-M60 WeakPolarHBondContact O-CG 3.43Å; A56-M60 PolarHBondContact O-N 3.43Å
57	M	96.8	Very high	97.2	Very high	34 Å²	34	77.1 Å²	77.1	17%	0.167	45%	0.445	C	S	.	.	H	α-helix	trans	-59	-41.9	174	-175.2	62.7	78.1	0	0	112	A36 I39 I52 S53 S54 K55 M60 N61	A36-M57 HydrophobicContact CB-CG 3.99Å; A36-M57 HydrophobicContact CB-SD 3.76Å; I39-M57 HydrophobicContact CB-CE 4.48Å; I39-M57 HydrophobicContact CB-SD 3.87Å; I39-M57 HydrophobicContact CD1-SD 4.06Å; I39-M57 HydrophobicContact CG2-CE 4.2Å; I39-M57 HydrophobicContact CG2-SD 3.72Å; I52-M57 HydrophobicContact CD1-CE 4.48Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; S53-M57 WeakPolarHBondContact O-CB 3.29Å; S53-M57 PolarHBondContact O-N 2.94Å; S54-M57 PolarHBondContact O-N 2.86Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 2.78Å; M57-M60 PolarHBondContact O-N 2.76Å; M57-N61 WeakPolarHBondContact O-CB 3.44Å; M57-N61 PolarHBondContact O-N 2.6Å
58	S	96.2	Very high	97.1	Very high	71 Å²	71	78.2 Å²	78.2	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-40.1	176.8	-168.6	0	0	0	0	112.5	S54 K55 A56 S62	S54-S58 PolarHBondContact O-N 2.8Å; K55-S58 WeakPolarHBondContact O-CB 3.25Å; K55-S58 PolarHBondContact O-N 3.27Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.09Å; S58-S62 PolarHBondContact O-N 3Å; S58-S62 PolarHBondContact O-OG 3.46Å
59	I	97.7	Very high	97.1	Very high	106 Å²	106	79.4 Å²	79.4	54%	0.544	45%	0.451	S	S	.	.	H	α-helix	trans	-63.3	-49.5	175.8	-66.8	166.5	0	0	0	109.7	K55 A56 N61 S62 F63	K55-I59 HydrophobicContact CG-CD1 4.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.27Å; K55-I59 PolarHBondContact O-N 3.16Å; A56-I59 PolarHBondContact O-N 2.79Å; I59-N61 VanDerWaalsContact C-N 3.35Å; I59-N61 PolarHBondContact O-N 3.29Å; I59-S62 PolarHBondContact O-N 2.94Å; I59-S62 VanDerWaalsContact O-N 3.14Å; I59-F63 PolarHBondContact O-N 3.49Å
60	M	97.9	Very high	97.1	Very high	77 Å²	77	78.2 Å²	78.2	38%	0.379	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-40.6	179	-70.6	-57.9	-63.5	0	0	112.6	I39 I52 A56 M57 S62 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.84Å; I39-M60 HydrophobicContact CG1-CB 4.48Å; I39-M60 HydrophobicContact CG2-CB 4.12Å; I39-M60 HydrophobicContact CG2-CG 4.5Å; I52-M60 HydrophobicContact CD1-CG 4.26Å; A56-M60 WeakPolarHBondContact O-CG 3.43Å; A56-M60 PolarHBondContact O-N 3.43Å; M57-M60 PolarHBondContact O-N 2.76Å; M60-S62 VanDerWaalsContact C-N 3.32Å; M60-S62 PolarHBondContact O-N 3.27Å; M60-F63 PolarHBondContact O-N 3.48Å; M60-V64 WeakPolarHBondContact O-CG2 3.23Å; M60-V64 PolarHBondContact O-N 3.09Å
61	N	96.3	Very high	97.1	Very high	25 Å²	25	76.4 Å²	76.4	13%	0.134	42%	0.421	C	S	.	.	H	α-helix	trans	-62.3	-41.4	175.4	-175.9	90.7	0	0	0	111.8	S34 F35 I39 M57 I59 V64 N65	S34-N61 WeakPolarHBondContact CA-OD1 3.37Å; S34-N61 PolarHBondContact OG-OD1 3.18Å; F35-N61 PolarHBondContact N-OD1 2.87Å; I39-N61 HydrophobicContact CD1-CB 4.24Å; M57-N61 WeakPolarHBondContact O-CB 3.44Å; M57-N61 PolarHBondContact O-N 2.6Å; I59-N61 VanDerWaalsContact C-N 3.35Å; I59-N61 PolarHBondContact O-N 3.29Å; N61-V64 PolarHBondContact O-N 3.48Å; N61-N65 PolarHBondContact ND2-ND2 3.07Å; N61-N65 PolarHBondContact O-N 3.34Å; N61-N65 VanDerWaalsContact O-N 3.09Å; N61-N65 PolarHBondContact O-ND2 3.47Å
62	S	96.9	Very high	97.2	Very high	63 Å²	63	75 Å²	75	44%	0.441	41%	0.407	S	S	.	.	H	α-helix	trans	-68.3	-37.5	177.9	-51.6	0	0	0	0	111.6	S58 I59 M60 N65 D66	S58-S62 PolarHBondContact O-N 3Å; S58-S62 PolarHBondContact O-OG 3.46Å; I59-S62 PolarHBondContact O-N 2.94Å; I59-S62 VanDerWaalsContact O-N 3.14Å; M60-S62 VanDerWaalsContact C-N 3.32Å; M60-S62 PolarHBondContact O-N 3.27Å; S62-N65 PolarHBondContact O-N 3.45Å; S62-D66 PolarHBondContact O-N 3.07Å
63	F	97.4	Very high	97.2	Very high	121 Å²	121	74.9 Å²	74.9	53%	0.531	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-45.1	173.9	174.6	-111.9	0	0	0	112.1	I59 M60 N65 D66 V67	I59-F63 PolarHBondContact O-N 3.49Å; M60-F63 PolarHBondContact O-N 3.48Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 3.33Å; F63-D66 PolarHBondContact O-N 2.84Å; F63-V67 HydrophobicContact CD2-CG2 4.31Å; F63-V67 HydrophobicContact CE1-CG2 4.45Å; F63-V67 HydrophobicContact CE2-CG2 3.84Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.23Å; F63-V67 PolarHBondContact O-N 2.88Å; F63-V67 VanDerWaalsContact O-N 3.09Å
64	V	97	Very high	97.2	Very high	44 Å²	44	72.6 Å²	72.6	27%	0.267	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-41.5	175.9	176.4	0	0	0	0	111	F35 M60 N61 V67 F68	F35-V64 HydrophobicContact CB-CB 4.49Å; F35-V64 HydrophobicContact CB-CG1 4.27Å; F35-V64 HydrophobicContact CD1-CG1 3.91Å; F35-V64 HydrophobicContact CD2-CB 4.04Å; F35-V64 HydrophobicContact CD2-CG1 3.53Å; F35-V64 HydrophobicContact CE1-CG1 4.1Å; F35-V64 HydrophobicContact CE2-CG1 3.74Å; F35-V64 HydrophobicContact CG-CB 4.25Å; F35-V64 HydrophobicContact CG-CG1 3.62Å; F35-V64 HydrophobicContact CZ-CG1 4.02Å; M60-V64 WeakPolarHBondContact O-CG2 3.23Å; M60-V64 PolarHBondContact O-N 3.09Å; N61-V64 PolarHBondContact O-N 3.48Å; V64-V67 PolarHBondContact O-N 2.93Å; V64-F68 VanDerWaalsContact O-CB 3.23Å; V64-F68 WeakPolarHBondContact O-CB 3.32Å; V64-F68 PolarHBondContact O-N 2.83Å
65	N	96.6	Very high	97.3	Very high	62 Å²	62	67.3 Å²	67.3	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-46.6	176.3	-72.8	-21.1	0	0	0	112.2	F35 N61 S62 F63 V67 F68 D69	F35-N65 VanDerWaalsContact CE2-OD1 3.23Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.39Å; N61-N65 PolarHBondContact ND2-ND2 3.07Å; N61-N65 PolarHBondContact O-N 3.34Å; N61-N65 VanDerWaalsContact O-N 3.09Å; N61-N65 PolarHBondContact O-ND2 3.47Å; S62-N65 PolarHBondContact O-N 3.45Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 3.33Å; N65-V67 PolarHBondContact O-N 3.47Å; N65-F68 WeakPolarHBondContact O-CB 3.35Å; N65-F68 PolarHBondContact O-N 3.41Å; N65-D69 WeakPolarHBondContact O-CB 3.43Å; N65-D69 PolarHBondContact O-N 3.47Å
66	D	97.2	Very high	97.3	Very high	69 Å²	69	62.9 Å²	62.9	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-46.3	178.7	-179	22.7	0	0	0	111.5	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.07Å; F63-D66 PolarHBondContact O-N 2.84Å; D66-F68 PolarHBondContact O-N 2.72Å; D66-D69 PolarHBondContact O-N 3Å; D66-R70 VanDerWaalsContact CG-NH2 3.34Å; D66-R70 VanDerWaalsContact O-CG 3.24Å; D66-R70 WeakPolarHBondContact O-CG 3.34Å; D66-R70 PolarHBondContact O-N 3.3Å; D66-R70 IonicContact OD1-CZ 3.44Å; D66-R70 IonicContact OD1-NE 2.75Å; D66-R70 PolarHBondContact OD1-NE 3.44Å; D66-R70 IonicContact OD1-NH2 2.75Å; D66-R70 PolarHBondContact OD1-NH2 3.09Å; D66-R70 VanDerWaalsContact OD1-NH2 3.12Å; D66-R70 IonicContact OD2-CZ 2.71Å; D66-R70 IonicContact OD2-NE 3.12Å; D66-R70 IonicContact OD2-NH2 2.6Å; D66-R70 PolarHBondContact OD2-NH2 3.24Å
67	V	96.6	Very high	97.3	Very high	43 Å²	43	66.9 Å²	66.9	26%	0.261	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-40.3	176.4	176.7	0	0	0	0	111.5	F63 V64 N65 R70 I71	F63-V67 HydrophobicContact CD2-CG2 4.31Å; F63-V67 HydrophobicContact CE1-CG2 4.45Å; F63-V67 HydrophobicContact CE2-CG2 3.84Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.23Å; F63-V67 PolarHBondContact O-N 2.88Å; F63-V67 VanDerWaalsContact O-N 3.09Å; V64-V67 PolarHBondContact O-N 2.93Å; N65-V67 PolarHBondContact O-N 3.47Å; V67-R70 PolarHBondContact O-N 3.34Å; V67-I71 HydrophobicContact CG1-CD1 3.75Å; V67-I71 HydrophobicContact CG1-CG1 4.41Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.27Å; V67-I71 PolarHBondContact O-N 2.96Å
68	F	96.6	Very high	97.4	Very high	128 Å²	128	66.4 Å²	66.4	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-61.6	-48.2	178.1	179.9	-90	0	0	0	111.7	V64 N65 D66 R70 I71 G72	V64-F68 VanDerWaalsContact O-CB 3.23Å; V64-F68 WeakPolarHBondContact O-CB 3.32Å; V64-F68 PolarHBondContact O-N 2.83Å; N65-F68 WeakPolarHBondContact O-CB 3.35Å; N65-F68 PolarHBondContact O-N 3.41Å; D66-F68 PolarHBondContact O-N 2.72Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 PolarHBondContact O-N 2.75Å; F68-I71 PolarHBondContact O-N 3.12Å; F68-G72 PolarHBondContact O-N 3.37Å
69	D	97.1	Very high	97.4	Very high	105 Å²	105	63.2 Å²	63.2	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-63.6	-41.3	179.9	-71.2	-19.8	0	0	0	111.1	N65 D66 G72 A73	N65-D69 WeakPolarHBondContact O-CB 3.43Å; N65-D69 PolarHBondContact O-N 3.47Å; D66-D69 PolarHBondContact O-N 3Å; D69-G72 PolarHBondContact O-N 3.38Å; D69-A73 WeakPolarHBondContact O-CB 3.4Å; D69-A73 PolarHBondContact O-N 3.49Å
70	R	97.9	Very high	97.4	Very high	138 Å²	138	65 Å²	65	52%	0.521	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-46.4	174.6	-70.6	176.2	-163.5	-156.6	7.8	112.2	D66 V67 F68 A73 E74 L99	D66-R70 VanDerWaalsContact CG-NH2 3.34Å; D66-R70 VanDerWaalsContact O-CG 3.24Å; D66-R70 WeakPolarHBondContact O-CG 3.34Å; D66-R70 PolarHBondContact O-N 3.3Å; D66-R70 IonicContact OD1-CZ 3.44Å; D66-R70 IonicContact OD1-NE 2.75Å; D66-R70 PolarHBondContact OD1-NE 3.44Å; D66-R70 IonicContact OD1-NH2 2.75Å; D66-R70 PolarHBondContact OD1-NH2 3.09Å; D66-R70 VanDerWaalsContact OD1-NH2 3.12Å; D66-R70 IonicContact OD2-CZ 2.71Å; D66-R70 IonicContact OD2-NE 3.12Å; D66-R70 IonicContact OD2-NH2 2.6Å; D66-R70 PolarHBondContact OD2-NH2 3.24Å; V67-R70 PolarHBondContact O-N 3.34Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 PolarHBondContact O-N 2.75Å; R70-A73 PolarHBondContact O-N 2.75Å; R70-E74 WeakPolarHBondContact O-CB 3.39Å; R70-E74 PolarHBondContact O-N 3.23Å; R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.94Å; R70-L99 HydrophobicContact CB-CD2 4.26Å
71	I	97.8	Very high	97.4	Very high	31 Å²	31	69.2 Å²	69.2	16%	0.159	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-45.3	177.9	-68.6	165.6	0	0	0	110.3	V67 F68 A73 E74 A75 I92 A95 V96 L99	V67-I71 HydrophobicContact CG1-CD1 3.75Å; V67-I71 HydrophobicContact CG1-CG1 4.41Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.27Å; V67-I71 PolarHBondContact O-N 2.96Å; F68-I71 PolarHBondContact O-N 3.12Å; I71-A73 PolarHBondContact O-N 3.47Å; I71-E74 PolarHBondContact O-N 2.87Å; I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.48Å; I71-A75 PolarHBondContact O-N 3.33Å; I71-I92 HydrophobicContact CG2-CG2 4.3Å; I71-A95 HydrophobicContact CG2-CB 4.24Å; I71-V96 HydrophobicContact CD1-CG2 3.97Å; I71-V96 HydrophobicContact CG1-CG2 4.28Å; I71-V96 HydrophobicContact CG2-CG2 4.25Å; I71-L99 VanDerWaalsContact CA-CD1 3.48Å; I71-L99 HydrophobicContact CB-CD1 4.15Å; I71-L99 HydrophobicContact CG1-CD1 3.58Å
72	G	97.7	Very high	97.4	Very high	31 Å²	31	71.6 Å²	71.6	32%	0.32	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-45.1	177.8	0	0	0	0	0	112.4	F68 D69 A75 S76	F68-G72 PolarHBondContact O-N 3.37Å; D69-G72 PolarHBondContact O-N 3.38Å; G72-A75 PolarHBondContact O-N 3.24Å; G72-S76 WeakPolarHBondContact O-CB 3.37Å; G72-S76 PolarHBondContact O-N 2.75Å
73	A	98.1	Very high	97.3	Very high	52 Å²	52	75.6 Å²	75.6	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-42.7	178.3	0	0	0	0	0	112.8	D69 R70 I71 S76 R77	D69-A73 WeakPolarHBondContact O-CB 3.4Å; D69-A73 PolarHBondContact O-N 3.49Å; R70-A73 PolarHBondContact O-N 2.75Å; I71-A73 PolarHBondContact O-N 3.47Å; A73-S76 PolarHBondContact O-N 3.21Å; A73-R77 WeakPolarHBondContact O-CG 3.5Å; A73-R77 PolarHBondContact O-N 3.05Å
74	E	98.2	Very high	97.3	Very high	22 Å²	22	76.2 Å²	76.2	10%	0.103	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-42.6	176	-172	67.1	-123	0	0	111.4	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.39Å; R70-E74 PolarHBondContact O-N 3.23Å; I71-E74 PolarHBondContact O-N 2.87Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 3.14Å; E74-R77 PolarHBondContact O-N 2.98Å; E74-R77 VanDerWaalsContact O-N 3.17Å; E74-R77 IonicContact OE1-CZ 3.82Å; E74-R77 IonicContact OE1-NH1 3.57Å; E74-R77 IonicContact OE2-CZ 3.06Å; E74-R77 IonicContact OE2-NH1 2.76Å; E74-R77 PolarHBondContact OE2-NH1 3.48Å; E74-R77 VanDerWaalsContact OE2-NH1 3.09Å; E74-R77 IonicContact OE2-NH2 3.36Å; E74-R77 PolarHBondContact OE2-NH2 3.17Å; E74-L78 HydrophobicContact CG-CD1 4.41Å; E74-L78 WeakPolarHBondContact O-CG 3.46Å; E74-L78 PolarHBondContact O-N 2.98Å; E74-A95 HydrophobicContact CB-CB 3.78Å; E74-A95 HydrophobicContact CG-CB 3.77Å; E74-L98 HydrophobicContact CG-CB 4.32Å; E74-L98 HydrophobicContact CG-CD1 3.91Å; E74-L99 HydrophobicContact CB-CD1 4.19Å
75	A	98.2	Very high	97.2	Very high	0 Å²	0	83.4 Å²	83.4	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.4	-37.4	176.7	0	0	0	0	0	112.3	I71 G72 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.48Å; I71-A75 PolarHBondContact O-N 3.33Å; G72-A75 PolarHBondContact O-N 3.24Å; A75-L78 PolarHBondContact O-N 3.41Å; A75-A79 PolarHBondContact O-N 3.4Å; A75-I87 HydrophobicContact CB-CG2 3.88Å; A75-E91 HydrophobicContact CB-CB 4.26Å; A75-I92 HydrophobicContact CB-CD1 3.67Å; A75-A95 HydrophobicContact CB-CB 4.04Å
76	S	97.8	Very high	97.2	Very high	66 Å²	66	85.6 Å²	85.6	46%	0.462	43%	0.425	S	S	.	.	H	α-helix	trans	-63.5	-43.4	172.8	-172.2	0	0	0	0	111.9	G72 A73 E74 A79 H80	G72-S76 WeakPolarHBondContact O-CB 3.37Å; G72-S76 PolarHBondContact O-N 2.75Å; A73-S76 PolarHBondContact O-N 3.21Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 3.14Å; S76-A79 PolarHBondContact O-N 3.44Å; S76-H80 PolarHBondContact O-N 3.46Å
77	R	97.9	Very high	97.2	Very high	116 Å²	116	85.9 Å²	85.9	44%	0.438	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-43.6	175	-78.3	-174.9	-79.2	142.4	-3.7	111.6	A73 E74 A79 H80 Y81	A73-R77 WeakPolarHBondContact O-CG 3.5Å; A73-R77 PolarHBondContact O-N 3.05Å; E74-R77 PolarHBondContact O-N 2.98Å; E74-R77 VanDerWaalsContact O-N 3.17Å; E74-R77 IonicContact OE1-CZ 3.82Å; E74-R77 IonicContact OE1-NH1 3.57Å; E74-R77 IonicContact OE2-CZ 3.06Å; E74-R77 IonicContact OE2-NH1 2.76Å; E74-R77 PolarHBondContact OE2-NH1 3.48Å; E74-R77 VanDerWaalsContact OE2-NH1 3.09Å; E74-R77 IonicContact OE2-NH2 3.36Å; E74-R77 PolarHBondContact OE2-NH2 3.17Å; R77-A79 PolarHBondContact O-N 3.04Å; R77-H80 PolarHBondContact O-N 3.38Å; R77-Y81 HydrophobicContact CB-CE2 4.4Å; R77-Y81 WeakPolarHBondContact O-CD2 3.42Å; R77-Y81 PolarHBondContact O-N 3.43Å
78	L	97.9	Very high	97.1	Very high	25 Å²	25	85.7 Å²	85.7	13%	0.131	43%	0.426	C	S	.	.	H	α-helix	trans	-62.8	-40.5	176.1	-70.3	169.7	0	0	0	112.8	E74 A75 H80 Y81 N82 E91 T94 A95 L98	E74-L78 HydrophobicContact CG-CD1 4.41Å; E74-L78 WeakPolarHBondContact O-CG 3.46Å; E74-L78 PolarHBondContact O-N 2.98Å; A75-L78 PolarHBondContact O-N 3.41Å; L78-H80 VanDerWaalsContact C-N 3.33Å; L78-Y81 PolarHBondContact O-N 3Å; L78-N82 PolarHBondContact O-N 3.4Å; L78-N82 PolarHBondContact O-ND2 2.9Å; L78-E91 HydrophobicContact CB-CB 4.16Å; L78-E91 HydrophobicContact CB-CG 3.9Å; L78-E91 WeakPolarHBondContact CD1-O 3.42Å; L78-T94 HydrophobicContact CD1-CG2 3.77Å; L78-T94 HydrophobicContact CD2-CG2 4.25Å; L78-A95 HydrophobicContact CD1-CB 4.13Å; L78-L98 HydrophobicContact CD1-CD1 4.21Å; L78-L98 HydrophobicContact CD2-CD1 4.19Å
79	A	97.8	Very high	96.9	Very high	4 Å²	4	83.8 Å²	83.8	3%	0.033	43%	0.429	C	S	.	.	H	α-helix	trans	-63.5	-42.6	175.3	0	0	0	0	0	111.1	A75 S76 R77 N82 N83 R84 I87 E91	A75-A79 PolarHBondContact O-N 3.4Å; S76-A79 PolarHBondContact O-N 3.44Å; R77-A79 PolarHBondContact O-N 3.04Å; A79-N82 CarbonylContact O-C 3.58Å; A79-N82 PolarHBondContact O-N 2.92Å; A79-N83 PolarHBondContact O-N 3.07Å; A79-R84 CarbonylContact C-O 3.46Å; A79-R84 PolarHBondContact O-N 3.18Å; A79-I87 HydrophobicContact CB-CG1 3.94Å; A79-E91 HydrophobicContact CB-CG 4.26Å
80	H	97	Very high	96.7	Very high	143 Å²	143	85.9 Å²	85.9	66%	0.662	43%	0.429	S	S	*	.	H	α-helix	trans	-62.6	-45.5	177.5	-168	66.7	0	0	0	112.2	S76 R77 L78 N82 N83	S76-H80 PolarHBondContact O-N 3.46Å; R77-H80 PolarHBondContact O-N 3.38Å; L78-H80 VanDerWaalsContact C-N 3.33Å; H80-N82 PolarHBondContact O-N 3.45Å; H80-N83 PolarHBondContact O-N 3.37Å
81	Y	96.8	Very high	96.6	Very high	165 Å²	165	79.4 Å²	79.4	65%	0.647	40%	0.404	S	S	*	.	H	α-helix	trans	-61.1	-28.6	175.9	-67.6	-35.1	0	0	0	113.7	R77 L78 N83	R77-Y81 HydrophobicContact CB-CE2 4.4Å; R77-Y81 WeakPolarHBondContact O-CD2 3.42Å; R77-Y81 PolarHBondContact O-N 3.43Å; L78-Y81 PolarHBondContact O-N 3Å; Y81-N83 VanDerWaalsContact C-N 3.3Å
82	N	96.1	Very high	96.5	Very high	75 Å²	75	81.4 Å²	81.4	40%	0.401	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.6	176.5	-69.4	-60.2	0	0	0	113.3	L78 A79 H80 R84	L78-N82 PolarHBondContact O-N 3.4Å; L78-N82 PolarHBondContact O-ND2 2.9Å; A79-N82 CarbonylContact O-C 3.58Å; A79-N82 PolarHBondContact O-N 2.92Å; H80-N82 PolarHBondContact O-N 3.45Å; N82-R84 HydrophobicContact CB-CG 4.25Å; N82-R84 PolarHBondContact O-N 2.99Å
83	N	96.4	Very high	96.4	Very high	148 Å²	148	83 Å²	83	79%	0.791	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.8	-174.5	-59.7	-62.7	0	0	0	113	A79 H80 Y81	A79-N83 PolarHBondContact O-N 3.07Å; H80-N83 PolarHBondContact O-N 3.37Å; Y81-N83 VanDerWaalsContact C-N 3.3Å
84	R	96.3	Very high	96.3	Very high	133 Å²	133	82.6 Å²	82.6	50%	0.502	41%	0.406	S	S	.	.			trans	-109.8	139.7	178.2	-67.6	-174	174.3	-167.9	-5.5	110.6	A79 N82	A79-R84 CarbonylContact C-O 3.46Å; A79-R84 PolarHBondContact O-N 3.18Å; N82-R84 HydrophobicContact CB-CG 4.25Å; N82-R84 PolarHBondContact O-N 2.99Å
85	H	95.5	Very high	96.3	Very high	196 Å²	196	81.6 Å²	81.6	91%	0.907	40%	0.401	S	S	*	.	S	Bend	trans	-91.1	-3.8	173.1	-60	-69	0	0	0	113.4
86	T	97	Very high	96.3	Very high	107 Å²	107	82.4 Å²	82.4	66%	0.656	41%	0.406	S	S	*	.	S	Bend	trans	-125.1	125.2	-177.2	-51.9	0	0	0	0	109.7
87	I	97	Very high	96.2	Very high	75 Å²	75	85.4 Å²	85.4	39%	0.385	41%	0.408	S	S	.	.			trans	-77.6	120.2	172.1	-59.3	174.4	0	0	0	108.2	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.88Å; A79-I87 HydrophobicContact CB-CG1 3.94Å; I87-E91 HydrophobicContact CG2-CB 4.02Å; I87-I92 HydrophobicContact CG2-CD1 3.8Å; I87-I92 HydrophobicContact CG2-CG1 3.98Å
88	S	94.2	Very high	96.2	Very high	39 Å²	39	84.9 Å²	84.9	27%	0.273	41%	0.413	S	S	.	.			trans	-98.7	174.3	175	82.7	0	0	0	0	111.6	R90 E91 I92	S88-R90 PolarHBondContact O-N 2.93Å; S88-R90 VanDerWaalsContact O-N 3.16Å; S88-R90 WeakPolarHBondContact OG-CB 3.47Å; S88-R90 PolarHBondContact OG-N 2.91Å; S88-E91 VanDerWaalsContact CA-OE2 3.27Å; S88-E91 WeakPolarHBondContact CA-OE2 3.4Å; S88-E91 WeakPolarHBondContact CB-OE2 3.42Å; S88-E91 PolarHBondContact N-OE2 2.93Å; S88-E91 PolarHBondContact O-N 3Å; S88-E91 PolarHBondContact OG-OE2 3.16Å; S88-I92 PolarHBondContact O-N 3.37Å
89	S	91.9	Very high	96.1	Very high	89 Å²	89	86.5 Å²	86.5	62%	0.622	42%	0.421	S	S	*	.	H	α-helix	trans	-57.4	-26.9	173.2	55.8	0	0	0	0	112.8	I92 Q93	S89-I92 PolarHBondContact O-N 3.07Å; S89-Q93 WeakPolarHBondContact O-CB 3.38Å; S89-Q93 VanDerWaalsContact O-CG 3.27Å; S89-Q93 WeakPolarHBondContact O-CG 3.42Å; S89-Q93 PolarHBondContact O-N 3.43Å
90	R	93.1	Very high	96.1	Very high	148 Å²	148	88 Å²	88	56%	0.558	43%	0.428	S	S	*	.	H	α-helix	trans	-67	-45.2	178.1	-174.3	176.8	-178.5	-112.3	3.5	112.2	S88 I92 Q93 T94	S88-R90 PolarHBondContact O-N 2.93Å; S88-R90 VanDerWaalsContact O-N 3.16Å; S88-R90 WeakPolarHBondContact OG-CB 3.47Å; S88-R90 PolarHBondContact OG-N 2.91Å; R90-I92 VanDerWaalsContact C-N 3.34Å; R90-Q93 PolarHBondContact O-N 3.08Å; R90-T94 WeakPolarHBondContact O-CB 3.33Å; R90-T94 PolarHBondContact O-N 3.14Å; R90-T94 PolarHBondContact O-OG1 3.27Å
91	E	95.6	Very high	96	Very high	3 Å²	3	86 Å²	86	1%	0.014	43%	0.429	C	S	.	.	H	α-helix	trans	-65.2	-40.8	177	-70.9	74.7	-151.5	0	0	110.6	A75 L78 A79 I87 S88 T94 A95	A75-E91 HydrophobicContact CB-CB 4.26Å; L78-E91 HydrophobicContact CB-CB 4.16Å; L78-E91 HydrophobicContact CB-CG 3.9Å; L78-E91 WeakPolarHBondContact CD1-O 3.42Å; A79-E91 HydrophobicContact CB-CG 4.26Å; I87-E91 HydrophobicContact CG2-CB 4.02Å; S88-E91 VanDerWaalsContact CA-OE2 3.27Å; S88-E91 WeakPolarHBondContact CA-OE2 3.4Å; S88-E91 WeakPolarHBondContact CB-OE2 3.42Å; S88-E91 PolarHBondContact N-OE2 2.93Å; S88-E91 PolarHBondContact O-N 3Å; S88-E91 PolarHBondContact OG-OE2 3.16Å; E91-T94 PolarHBondContact O-N 3.45Å; E91-A95 VanDerWaalsContact O-CB 3.27Å; E91-A95 WeakPolarHBondContact O-CB 3.31Å; E91-A95 PolarHBondContact O-N 3.31Å
92	I	96.4	Very high	95.9	Very high	72 Å²	72	80.7 Å²	80.7	37%	0.369	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-49.3	175.8	-58.8	-68.6	0	0	0	111.3	I71 A75 I87 S88 S89 R90 T94 A95 V96	I71-I92 HydrophobicContact CG2-CG2 4.3Å; A75-I92 HydrophobicContact CB-CD1 3.67Å; I87-I92 HydrophobicContact CG2-CD1 3.8Å; I87-I92 HydrophobicContact CG2-CG1 3.98Å; S88-I92 PolarHBondContact O-N 3.37Å; S89-I92 PolarHBondContact O-N 3.07Å; R90-I92 VanDerWaalsContact C-N 3.34Å; I92-T94 VanDerWaalsContact C-N 3.29Å; I92-T94 PolarHBondContact O-N 3.33Å; I92-A95 PolarHBondContact O-N 3.24Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.43Å; I92-V96 PolarHBondContact O-N 2.87Å
93	Q	95.4	Very high	95.9	Very high	65 Å²	65	82.2 Å²	82.2	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-38.2	178.6	-74.5	176.8	12.5	0	0	112.1	S89 R90 R97	S89-Q93 WeakPolarHBondContact O-CB 3.38Å; S89-Q93 VanDerWaalsContact O-CG 3.27Å; S89-Q93 WeakPolarHBondContact O-CG 3.42Å; S89-Q93 PolarHBondContact O-N 3.43Å; R90-Q93 PolarHBondContact O-N 3.08Å; Q93-R97 WeakPolarHBondContact O-CG 3.33Å; Q93-R97 PolarHBondContact O-N 2.88Å
94	T	96.6	Very high	95.9	Very high	44 Å²	44	79.8 Å²	79.8	27%	0.27	42%	0.415	S	S	.	.	H	α-helix	trans	-70.1	-42.7	178.5	-54.5	0	0	0	0	110.9	L78 R90 E91 I92 V96 R97 L98	L78-T94 HydrophobicContact CD1-CG2 3.77Å; L78-T94 HydrophobicContact CD2-CG2 4.25Å; R90-T94 WeakPolarHBondContact O-CB 3.33Å; R90-T94 PolarHBondContact O-N 3.14Å; R90-T94 PolarHBondContact O-OG1 3.27Å; E91-T94 PolarHBondContact O-N 3.45Å; I92-T94 VanDerWaalsContact C-N 3.29Å; I92-T94 PolarHBondContact O-N 3.33Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3.38Å; T94-R97 WeakPolarHBondContact O-CB 3.35Å; T94-R97 PolarHBondContact O-N 3.39Å; T94-R97 VanDerWaalsContact O-N 3.07Å; T94-L98 HydrophobicContact CG2-CD1 4.4Å; T94-L98 WeakPolarHBondContact O-CG 3.34Å; T94-L98 PolarHBondContact O-N 3.39Å
95	A	97.5	Very high	95.9	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-56.4	-43.9	173.5	0	0	0	0	0	112.1	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.24Å; E74-A95 HydrophobicContact CB-CB 3.78Å; E74-A95 HydrophobicContact CG-CB 3.77Å; A75-A95 HydrophobicContact CB-CB 4.04Å; L78-A95 HydrophobicContact CD1-CB 4.13Å; E91-A95 VanDerWaalsContact O-CB 3.27Å; E91-A95 WeakPolarHBondContact O-CB 3.31Å; E91-A95 PolarHBondContact O-N 3.31Å; I92-A95 PolarHBondContact O-N 3.24Å; A95-R97 VanDerWaalsContact C-N 3.32Å; A95-R97 PolarHBondContact O-N 3.43Å; A95-L98 PolarHBondContact O-N 3.01Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 WeakPolarHBondContact O-CG 3.37Å; A95-L99 PolarHBondContact O-N 2.98Å
96	V	97.6	Very high	95.9	Very high	18 Å²	18	71.1 Å²	71.1	11%	0.109	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-41.8	175.2	171	0	0	0	0	111.6	I71 I92 T94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 3.97Å; I71-V96 HydrophobicContact CG1-CG2 4.28Å; I71-V96 HydrophobicContact CG2-CG2 4.25Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.43Å; I92-V96 PolarHBondContact O-N 2.87Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3.38Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 3.41Å; V96-L99 PolarHBondContact O-N 3.17Å; V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.45Å; V96-L100 WeakPolarHBondContact O-CB 3.45Å; V96-L100 PolarHBondContact O-N 3.2Å; V96-A108 HydrophobicContact CG1-CB 3.62Å; V96-V109 HydrophobicContact CB-CG2 4.44Å; V96-V109 HydrophobicContact CG1-CG2 4.01Å
97	R	96.6	Very high	95.9	Very high	129 Å²	129	71.3 Å²	71.3	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-31	176.8	-68.9	176.6	-175.9	125.5	-3	113.3	Q93 T94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.33Å; Q93-R97 PolarHBondContact O-N 2.88Å; T94-R97 WeakPolarHBondContact O-CB 3.35Å; T94-R97 PolarHBondContact O-N 3.39Å; T94-R97 VanDerWaalsContact O-N 3.07Å; A95-R97 VanDerWaalsContact C-N 3.32Å; A95-R97 PolarHBondContact O-N 3.43Å; R97-V109 HydrophobicContact CG-CG2 3.89Å
98	L	97.2	Very high	95.8	Very high	104 Å²	104	69.5 Å²	69.5	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-75.9	-35.9	177.3	-68.7	173.7	0	0	0	112.2	E74 L78 T94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.32Å; E74-L98 HydrophobicContact CG-CD1 3.91Å; L78-L98 HydrophobicContact CD1-CD1 4.21Å; L78-L98 HydrophobicContact CD2-CD1 4.19Å; T94-L98 HydrophobicContact CG2-CD1 4.4Å; T94-L98 WeakPolarHBondContact O-CG 3.34Å; T94-L98 PolarHBondContact O-N 3.39Å; A95-L98 PolarHBondContact O-N 3.01Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 3.41Å
99	L	97.1	Very high	95.9	Very high	59 Å²	59	68.5 Å²	68.5	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-86.7	-31.1	-175	-69.1	168.6	0	0	0	114	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.94Å; R70-L99 HydrophobicContact CB-CD2 4.26Å; I71-L99 VanDerWaalsContact CA-CD1 3.48Å; I71-L99 HydrophobicContact CB-CD1 4.15Å; I71-L99 HydrophobicContact CG1-CD1 3.58Å; E74-L99 HydrophobicContact CB-CD1 4.19Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 WeakPolarHBondContact O-CG 3.37Å; A95-L99 PolarHBondContact O-N 2.98Å; V96-L99 PolarHBondContact O-N 3.17Å
100	L	95.9	Very high	96	Very high	35 Å²	35	66.8 Å²	66.8	18%	0.183	35%	0.35	C	S	.	.	S	Bend	trans	-105	127.3	-175.2	-56.1	-177.1	0	0	0	110.6	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.45Å; V96-L100 WeakPolarHBondContact O-CB 3.45Å; V96-L100 PolarHBondContact O-N 3.2Å; L100-L104 HydrophobicContact CB-CB 4.3Å; L100-L104 HydrophobicContact CB-CD2 4.15Å; L100-L104 HydrophobicContact CB-CG 4.07Å; L100-L104 HydrophobicContact CD1-CD2 4.41Å; L100-L104 HydrophobicContact CD1-CG 4.09Å; L100-L104 HydrophobicContact CD2-CD2 3.9Å; L100-L104 HydrophobicContact CD2-CG 4.46Å; L100-L104 HydrophobicContact CG-CD2 4.37Å; L100-L104 HydrophobicContact CG-CG 4.43Å; L100-S105 WeakPolarHBondContact O-CB 3.25Å; L100-A108 HydrophobicContact CD1-CB 3.66Å
101	P	96.1	Very high	96.1	Very high	103 Å²	103	64.6 Å²	64.6	67%	0.669	35%	0.346	S	S	*	.			trans	-78.9	150.7	-178.3	30.5	-35.3	0	0	0	112.9	E103 L104	P101-E103 PolarHBondContact O-N 3.48Å; P101-L104 VanDerWaalsContact O-CB 3.32Å; P101-L104 WeakPolarHBondContact O-CB 3.46Å; P101-L104 PolarHBondContact O-N 3.33Å; P101-L104 VanDerWaalsContact O-N 3.13Å
102	G	95.5	Very high	96	Very high	53 Å²	53	66.1 Å²	66.1	55%	0.546	36%	0.363	S	S	.	.	H	α-helix	trans	52.5	-133.2	163.9	0	0	0	0	0	114.8	L104 S105	G102-L104 PolarHBondContact O-N 3.13Å; G102-S105 PolarHBondContact O-N 3.38Å; G102-S105 PolarHBondContact O-OG 3.26Å
103	E	96	Very high	95.8	Very high	107 Å²	107	65.9 Å²	65.9	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-57.6	-30.7	180	-67.8	-55.3	122.2	0	0	112.9	P101 S105 K106 H107	P101-E103 PolarHBondContact O-N 3.48Å; E103-S105 VanDerWaalsContact C-N 3.29Å; E103-S105 PolarHBondContact O-N 3.13Å; E103-K106 WeakPolarHBondContact O-CB 3.32Å; E103-K106 PolarHBondContact O-N 2.88Å; E103-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 WeakPolarHBondContact OE1-CE 3.35Å; E103-K106 IonicContact OE1-NZ 3.62Å; E103-K106 PolarHBondContact OE1-NZ 3.31Å; E103-H107 PolarHBondContact O-CD2 2.96Å; E103-H107 PolarHBondContact O-N 2.93Å
104	L	96	Very high	95.7	Very high	97 Å²	97	68.3 Å²	68.3	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-39.4	-178.5	-171.3	61.8	0	0	0	111.7	L100 P101 G102 A108	L100-L104 HydrophobicContact CB-CB 4.3Å; L100-L104 HydrophobicContact CB-CD2 4.15Å; L100-L104 HydrophobicContact CB-CG 4.07Å; L100-L104 HydrophobicContact CD1-CD2 4.41Å; L100-L104 HydrophobicContact CD1-CG 4.09Å; L100-L104 HydrophobicContact CD2-CD2 3.9Å; L100-L104 HydrophobicContact CD2-CG 4.46Å; L100-L104 HydrophobicContact CG-CD2 4.37Å; L100-L104 HydrophobicContact CG-CG 4.43Å; P101-L104 VanDerWaalsContact O-CB 3.32Å; P101-L104 WeakPolarHBondContact O-CB 3.46Å; P101-L104 PolarHBondContact O-N 3.33Å; P101-L104 VanDerWaalsContact O-N 3.13Å; G102-L104 PolarHBondContact O-N 3.13Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.05Å
105	S	95.8	Very high	95.4	Very high	19 Å²	19	69 Å²	69	13%	0.133	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-42.1	174.1	66.1	0	0	0	0	112.6	L100 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.25Å; G102-S105 PolarHBondContact O-N 3.38Å; G102-S105 PolarHBondContact O-OG 3.26Å; E103-S105 VanDerWaalsContact C-N 3.29Å; E103-S105 PolarHBondContact O-N 3.13Å; S105-A108 PolarHBondContact O-N 2.76Å; S105-V109 WeakPolarHBondContact O-CB 3.4Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.48Å; S105-V109 PolarHBondContact O-N 3.15Å
106	K	95.8	Very high	95.1	Very high	127 Å²	127	73.3 Å²	73.3	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-47.3	-179.6	-63.3	-179.4	-174.5	167.8	0	110.5	E103 S110	E103-K106 WeakPolarHBondContact O-CB 3.32Å; E103-K106 PolarHBondContact O-N 2.88Å; E103-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 WeakPolarHBondContact OE1-CE 3.35Å; E103-K106 IonicContact OE1-NZ 3.62Å; E103-K106 PolarHBondContact OE1-NZ 3.31Å; K106-S110 VanDerWaalsContact O-CB 3.22Å; K106-S110 WeakPolarHBondContact O-CB 3.13Å; K106-S110 PolarHBondContact O-N 2.92Å
107	H	96.4	Very high	94.8	Very high	112 Å²	112	76.4 Å²	76.4	52%	0.519	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-49.7	175.6	-72.9	-70.9	0	0	0	111.5	E103 V109 S110 E111	E103-H107 PolarHBondContact O-CD2 2.96Å; E103-H107 PolarHBondContact O-N 2.93Å; H107-V109 PolarHBondContact O-N 3.4Å; H107-S110 PolarHBondContact O-N 3.08Å; H107-E111 WeakPolarHBondContact O-CB 3.31Å; H107-E111 WeakPolarHBondContact O-CG 3.39Å; H107-E111 PolarHBondContact O-N 3.48Å
108	A	95.9	Very high	94.6	Very high	36 Å²	36	78 Å²	78	30%	0.298	44%	0.44	S	S	.	.	H	α-helix	trans	-60.2	-43.4	-178.1	0	0	0	0	0	112.9	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.62Å; L100-A108 HydrophobicContact CD1-CB 3.66Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.05Å; S105-A108 PolarHBondContact O-N 2.76Å; A108-G112 PolarHBondContact O-N 2.84Å
109	V	95.2	Very high	94.3	Very high	18 Å²	18	82.1 Å²	82.1	11%	0.109	45%	0.45	C	S	.	.	H	α-helix	trans	-68.9	-40.8	177	174.3	0	0	0	0	111.6	V96 R97 S105 H107 G112 T113	V96-V109 HydrophobicContact CB-CG2 4.44Å; V96-V109 HydrophobicContact CG1-CG2 4.01Å; R97-V109 HydrophobicContact CG-CG2 3.89Å; S105-V109 WeakPolarHBondContact O-CB 3.4Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.48Å; S105-V109 PolarHBondContact O-N 3.15Å; H107-V109 PolarHBondContact O-N 3.4Å; V109-G112 PolarHBondContact O-N 3.38Å; V109-T113 WeakPolarHBondContact O-CB 3.22Å; V109-T113 PolarHBondContact O-N 2.95Å; V109-T113 PolarHBondContact O-OG1 3.46Å
110	S	95.2	Very high	94.2	Very high	54 Å²	54	83.7 Å²	83.7	38%	0.378	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-50.1	177.3	-172.5	0	0	0	0	111.4	K106 H107 G112 T113 K114	K106-S110 VanDerWaalsContact O-CB 3.22Å; K106-S110 WeakPolarHBondContact O-CB 3.13Å; K106-S110 PolarHBondContact O-N 2.92Å; H107-S110 PolarHBondContact O-N 3.08Å; S110-G112 PolarHBondContact O-N 3.22Å; S110-T113 PolarHBondContact O-N 2.8Å; S110-K114 WeakPolarHBondContact O-CG 3.32Å; S110-K114 PolarHBondContact O-N 3Å
111	E	94.5	Very high	94.1	Very high	101 Å²	101	86.3 Å²	86.3	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-40.6	178.1	-68.5	-52.1	124.8	0	0	111.8	H107 T113 K114 A115	H107-E111 WeakPolarHBondContact O-CB 3.31Å; H107-E111 WeakPolarHBondContact O-CG 3.39Å; H107-E111 PolarHBondContact O-N 3.48Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 2.99Å; E111-K114 PolarHBondContact O-N 3.49Å; E111-K114 IonicContact OE1-NZ 3.09Å; E111-K114 PolarHBondContact OE1-NZ 3.02Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.13Å
112	G	93.4	Very high	93.8	Very high	35 Å²	35	85.5 Å²	85.5	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-59.7	-42.5	174.5	0	0	0	0	0	112.4	A108 V109 S110 A115 V116	A108-G112 PolarHBondContact O-N 2.84Å; V109-G112 PolarHBondContact O-N 3.38Å; S110-G112 PolarHBondContact O-N 3.22Å; G112-A115 PolarHBondContact O-N 3.47Å; G112-V116 WeakPolarHBondContact O-CG2 3.49Å; G112-V116 PolarHBondContact O-N 2.98Å; G112-V116 VanDerWaalsContact O-N 3.08Å
113	T	92.3	Very high	92.2	Very high	67 Å²	67	94.9 Å²	94.9	41%	0.411	51%	0.511	S	S	.	.	H	α-helix	trans	-66.6	-43.9	178.5	-53.8	0	0	0	0	111.5	V109 S110 E111 A115 V116 T117	V109-T113 WeakPolarHBondContact O-CB 3.22Å; V109-T113 PolarHBondContact O-N 2.95Å; V109-T113 PolarHBondContact O-OG1 3.46Å; S110-T113 PolarHBondContact O-N 2.8Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 2.99Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.22Å; T113-V116 PolarHBondContact O-N 3.38Å; T113-T117 PolarHBondContact O-N 3.13Å; T113-T117 PolarHBondContact O-OG1 3.43Å
114	K	92.7	Very high	92.1	Very high	116 Å²	116	94.3 Å²	94.3	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-41.3	174	-67.2	173	-167.3	168.4	0	111.8	S110 E111 V116 T117 K118	S110-K114 WeakPolarHBondContact O-CG 3.32Å; S110-K114 PolarHBondContact O-N 3Å; E111-K114 PolarHBondContact O-N 3.49Å; E111-K114 IonicContact OE1-NZ 3.09Å; E111-K114 PolarHBondContact OE1-NZ 3.02Å; K114-V116 VanDerWaalsContact C-N 3.34Å; K114-V116 PolarHBondContact O-N 3.25Å; K114-T117 PolarHBondContact O-N 3.34Å; K114-K118 PolarHBondContact O-N 2.74Å
115	A	91.3	Very high	91.8	Very high	58 Å²	58	94.1 Å²	94.1	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-39.4	179.5	0	0	0	0	0	112.1	E111 G112 T113 K118 Y119	E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.13Å; G112-A115 PolarHBondContact O-N 3.47Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.22Å; A115-K118 PolarHBondContact O-N 3.24Å; A115-Y119 WeakPolarHBondContact O-CB 3.47Å; A115-Y119 PolarHBondContact O-N 3.25Å
116	V	90.1	Very high	91.6	Very high	92 Å²	92	98.3 Å²	98.3	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-60.7	-48.4	175	172	0	0	0	0	110.8	G112 T113 K114 K118 Y119 T120	G112-V116 WeakPolarHBondContact O-CG2 3.49Å; G112-V116 PolarHBondContact O-N 2.98Å; G112-V116 VanDerWaalsContact O-N 3.08Å; T113-V116 PolarHBondContact O-N 3.38Å; K114-V116 VanDerWaalsContact C-N 3.34Å; K114-V116 PolarHBondContact O-N 3.25Å; V116-K118 PolarHBondContact O-N 3.24Å; V116-Y119 PolarHBondContact O-N 3.14Å; V116-T120 PolarHBondContact O-N 3.06Å; V116-T120 PolarHBondContact O-OG1 2.93Å
117	T	91.4	Very high	91.4	Very high	83 Å²	83	96.6 Å²	96.6	51%	0.509	53%	0.532	S	S	.	.	H	α-helix	trans	-57.9	-48.2	177.1	-55.3	0	0	0	0	111.5	T113 K114 Y119 T120 S121	T113-T117 PolarHBondContact O-N 3.13Å; T113-T117 PolarHBondContact O-OG1 3.43Å; K114-T117 PolarHBondContact O-N 3.34Å; T117-Y119 VanDerWaalsContact C-N 3.31Å; T117-Y119 PolarHBondContact O-N 3.37Å; T117-T120 WeakPolarHBondContact CA-OG1 3.43Å; T117-T120 PolarHBondContact O-N 3.11Å; T117-T120 PolarHBondContact O-OG1 3.37Å; T117-S121 PolarHBondContact O-N 2.77Å; T117-S121 PolarHBondContact O-OG 2.81Å; T117-S121 VanDerWaalsContact O-OG 3.13Å
118	K	93.3	Very high	91.1	Very high	162 Å²	162	95.6 Å²	95.6	70%	0.704	53%	0.532	S	S	*	.	H	α-helix	trans	-60.7	-41.3	178	-177.6	175.5	-179.7	174.4	0	112.1	K114 A115 V116 T120 S121 A122	K114-K118 PolarHBondContact O-N 2.74Å; A115-K118 PolarHBondContact O-N 3.24Å; V116-K118 PolarHBondContact O-N 3.24Å; K118-T120 VanDerWaalsContact C-N 3.34Å; K118-S121 PolarHBondContact O-N 2.75Å; K118-A122 WeakPolarHBondContact O-CB 3.47Å; K118-A122 PolarHBondContact O-N 2.71Å; K118-A122 VanDerWaalsContact O-N 3.13Å
119	Y	91.3	Very high	90.7	Very high	191 Å²	191	99.6 Å²	99.6	75%	0.749	55%	0.548	S	S	*	.	H	α-helix	trans	-63.3	-42.1	178.5	-178.6	-99.4	0	0	0	111.5	A115 V116 T117	A115-Y119 WeakPolarHBondContact O-CB 3.47Å; A115-Y119 PolarHBondContact O-N 3.25Å; V116-Y119 PolarHBondContact O-N 3.14Å; T117-Y119 VanDerWaalsContact C-N 3.31Å; T117-Y119 PolarHBondContact O-N 3.37Å
120	T	93.4	Very high	90.4	Very high	91 Å²	91	105.4 Å²	105.4	56%	0.558	58%	0.58	S	S	*	*	H	α-helix	trans	-68.3	-32.2	178	50.1	0	0	0	0	113.4	V116 T117 K118	V116-T120 PolarHBondContact O-N 3.06Å; V116-T120 PolarHBondContact O-OG1 2.93Å; T117-T120 WeakPolarHBondContact CA-OG1 3.43Å; T117-T120 PolarHBondContact O-N 3.11Å; T117-T120 PolarHBondContact O-OG1 3.37Å; K118-T120 VanDerWaalsContact C-N 3.34Å
121	S	94.1	Very high	90.1	Very high	91 Å²	91	109.4 Å²	109.4	64%	0.636	60%	0.595	S	S	*	*	H	α-helix	trans	-84.1	-16.3	179.9	-55.4	0	0	0	0	114.7	T117 K118 K123	T117-S121 PolarHBondContact O-N 2.77Å; T117-S121 PolarHBondContact O-OG 2.81Å; T117-S121 VanDerWaalsContact O-OG 3.13Å; K118-S121 PolarHBondContact O-N 2.75Å; S121-K123 VanDerWaalsContact C-N 3.3Å
122	A	90	Very high	89.7	Confident	86 Å²	86	110.1 Å²	110.1	71%	0.711	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	2.9	-176.3	0	0	0	0	0	114	K118	K118-A122 WeakPolarHBondContact O-CB 3.47Å; K118-A122 PolarHBondContact O-N 2.71Å; K118-A122 VanDerWaalsContact O-N 3.13Å
123	K	62.8	Low	89.3	Confident	249 Å²	249	116.9 Å²	116.9	100%	1.083	63%	0.628	S	S	*	*			trans	-106.4	0	178.7	-170.6	179.8	-178.3	-177	0	110.1	S121	S121-K123 VanDerWaalsContact C-N 3.3Å

Retrieved 123 of 123 residues in 666.7 ms (Link to these results)

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