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Histone domain containing protein

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 A0A077ZLR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077ZLR8_TRITR|A0A077ZLR8
MNMKKAGKSQKVRKAADKKKRKLRKESFTTYIYKVLKQVHPDFGISMRAISIMDCFVSDVFERIAAESFRLAHYNHRDTISSRDVQTAVRLLLPGGLSKHALSEGTKAMSKYTSAL
					

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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	43.1	Very low	44.9	Very low	242 Å²	242	169.2 Å²	169.2	100%	1.192	89%	0.888	S	S	*	*				0	142.9	0	-84.2	171.9	170.2	0	0	109
2	N	51.4	Low	45	Very low	173 Å²	173	165.4 Å²	165.4	93%	0.925	88%	0.876	S	S	*	*			trans	83.5	100.2	176.9	-64	-4	0	0	0	119.5
3	M	42.7	Very low	45.2	Very low	187 Å²	187	171.5 Å²	171.5	92%	0.921	88%	0.88	S	S	*	*			trans	-118.3	142.5	172.5	-155.2	171	85.5	0	0	107.5
4	K	46.5	Very low	45.2	Very low	183 Å²	183	172.9 Å²	172.9	80%	0.796	88%	0.876	S	S	*	*			trans	152.4	141.2	158.5	-91.1	171.9	179.3	171.3	0	108.9
5	K	44.4	Very low	45.2	Very low	185 Å²	185	167.6 Å²	167.6	80%	0.804	87%	0.869	S	S	*	*			cis	-167.3	150.3	10.6	-132.2	170.1	-177.2	-172.1	0	108.4
6	A	42.6	Very low	45.4	Very low	106 Å²	106	163 Å²	163	88%	0.876	86%	0.863	S	S	*	*			trans	-67.5	147.8	172.6	0	0	0	0	0	113.5
7	G	45.7	Very low	45.6	Very low	78 Å²	78	162.3 Å²	162.3	80%	0.804	86%	0.86	S	S	*	*			trans	-149	114.3	171.3	0	0	0	0	0	111.3
8	K	38.8	Very low	46.2	Very low	201 Å²	201	164.6 Å²	164.6	87%	0.874	86%	0.861	S	S	*	*			trans	-58.3	138.6	-179.9	-70.6	166.4	171.6	173.9	0	112.2
9	S	46.5	Very low	46.8	Very low	117 Å²	117	166 Å²	166	82%	0.818	86%	0.86	S	S	*	*			trans	-149.8	102.4	147.6	-89.9	0	0	0	0	110.4	K11	S9-K11 PolarHBondContact O-N 3.01Å
10	Q	45.2	Very low	47.5	Very low	188 Å²	188	167.6 Å²	167.6	88%	0.879	86%	0.86	S	S	*	*			trans	-52.6	104.1	165.7	-83.5	161.4	-83.5	0	0	108.9	V12	Q10-V12 VanDerWaalsContact C-N 3.34Å; Q10-V12 PolarHBondContact O-N 3.2Å
11	K	46.6	Very low	48.1	Very low	201 Å²	201	171.2 Å²	171.2	87%	0.874	86%	0.863	S	S	*	*			trans	-69.5	99.2	162.5	-82.7	-175.8	177	178	0	107.8	S9 R13	S9-K11 PolarHBondContact O-N 3.01Å; K11-R13 PolarHBondContact O-N 3.07Å; K11-R13 VanDerWaalsContact O-N 3.07Å
12	V	46.8	Very low	49	Very low	124 Å²	124	169.1 Å²	169.1	75%	0.752	85%	0.847	S	S	*	*			trans	-35.5	110.2	163.9	177.9	0	0	0	0	109.2	Q10 K14	Q10-V12 VanDerWaalsContact C-N 3.34Å; Q10-V12 PolarHBondContact O-N 3.2Å; V12-K14 PolarHBondContact O-N 2.76Å
13	R	47.1	Very low	49.7	Very low	244 Å²	244	169.1 Å²	169.1	92%	0.921	85%	0.846	S	S	*	*			trans	-65.1	91.7	166.6	-71.6	179.8	175.2	179.4	-2.3	106.4	K11 A15	K11-R13 PolarHBondContact O-N 3.07Å; K11-R13 VanDerWaalsContact O-N 3.07Å; R13-A15 PolarHBondContact O-N 2.88Å
14	K	45.9	Very low	50.8	Low	192 Å²	192	171.2 Å²	171.2	84%	0.835	84%	0.844	S	S	*	*			trans	-55.5	110.8	166.7	-81.5	-174.4	174.4	-178.3	0	106.5	V12 A16	V12-K14 PolarHBondContact O-N 2.76Å; K14-A16 PolarHBondContact O-N 3Å
15	A	45.1	Very low	51.9	Low	93 Å²	93	170.7 Å²	170.7	77%	0.769	84%	0.842	S	S	*	*			trans	-45.8	111.8	169.2	0	0	0	0	0	107.5	R13 D17	R13-A15 PolarHBondContact O-N 2.88Å; A15-D17 PolarHBondContact O-N 3.09Å
16	A	47.9	Very low	53.7	Low	94 Å²	94	170.5 Å²	170.5	78%	0.777	84%	0.844	S	S	*	*			trans	-59.3	109.3	174.9	0	0	0	0	0	106.8	K14 K18	K14-A16 PolarHBondContact O-N 3Å; A16-K18 PolarHBondContact O-N 3.23Å
17	D	48.7	Very low	56.1	Low	151 Å²	151	167.6 Å²	167.6	81%	0.807	82%	0.817	S	S	*	*			trans	-35.3	110.8	168	-101.9	-56.6	0	0	0	108.9	A15 K19	A15-D17 PolarHBondContact O-N 3.09Å; D17-K19 PolarHBondContact O-N 2.77Å
18	K	55.9	Low	58.5	Low	203 Å²	203	167.2 Å²	167.2	88%	0.883	79%	0.793	S	S	*	*			trans	-63.2	78.8	161.4	-74.4	-178.3	-178.5	178.2	0	105.8	A16 K20	A16-K18 PolarHBondContact O-N 3.23Å; K18-K20 PolarHBondContact O-N 3.07Å
19	K	58.5	Low	61.2	Low	192 Å²	192	160.2 Å²	160.2	84%	0.835	77%	0.767	S	S	*	*			trans	-46.2	106.7	168.9	-103.7	178.8	175.7	173.6	0	105.3	D17 R21	D17-K19 PolarHBondContact O-N 2.77Å; K19-R21 PolarHBondContact O-N 3.1Å
20	K	60	Low	63.5	Low	197 Å²	197	158.9 Å²	158.9	86%	0.857	75%	0.754	S	S	*	*			trans	-36.5	114.3	174.4	-75.1	178.1	173	179.7	0	106.6	K18 K22	K18-K20 PolarHBondContact O-N 3.07Å; K20-K22 PolarHBondContact O-N 3.39Å
21	R	60	Low	65.9	Low	244 Å²	244	156.9 Å²	156.9	92%	0.921	74%	0.74	S	S	*	*			trans	-48.8	107	176.5	-85	173.8	119.4	179.4	0.6	105.3	K19 L23	K19-R21 PolarHBondContact O-N 3.1Å; R21-L23 PolarHBondContact O-N 3.21Å; R21-L23 VanDerWaalsContact O-N 3.1Å
22	K	62.4	Low	68.4	Low	198 Å²	198	148.4 Å²	148.4	86%	0.861	70%	0.703	S	S	*	*			trans	-49.6	126.2	175.3	-93.7	-176.1	172.6	-176.4	0	105.3	K20 R24	K20-K22 PolarHBondContact O-N 3.39Å; K22-R24 PolarHBondContact O-N 3.27Å
23	L	66	Low	70.8	Confident	173 Å²	173	147.7 Å²	147.7	91%	0.906	69%	0.688	S	S	*	*			trans	-46.8	119.9	173.8	-147.6	78.3	0	0	0	106.1	R21 K25	R21-L23 PolarHBondContact O-N 3.21Å; R21-L23 VanDerWaalsContact O-N 3.1Å; L23-K25 PolarHBondContact O-N 3.34Å
24	R	66.4	Low	73.2	Confident	231 Å²	231	142 Å²	142	87%	0.872	67%	0.67	S	S	*	*			trans	-64.6	105	-175	-178.5	179.4	177.1	-175.6	-2.3	106.2	K22 E26	K22-R24 PolarHBondContact O-N 3.27Å; R24-E26 PolarHBondContact O-N 3.01Å
25	K	70.3	Confident	75.6	Confident	173 Å²	173	136.6 Å²	136.6	75%	0.752	65%	0.653	S	S	*	*			trans	-67	119.8	171.4	-170.7	176.8	178.8	-175.3	0	106.8	L23 S27	L23-K25 PolarHBondContact O-N 3.34Å; K25-S27 PolarHBondContact O-N 2.75Å
26	E	82	Confident	78.2	Confident	181 Å²	181	133.9 Å²	133.9	85%	0.846	63%	0.625	S	S	*	*			trans	-61	126.6	168.7	-64.8	-175.5	162.3	0	0	107.7	R24	R24-E26 PolarHBondContact O-N 3.01Å
27	S	93	Very high	80.5	Confident	45 Å²	45	132.5 Å²	132.5	32%	0.315	60%	0.602	S	S	.	*			trans	-149.4	141.7	-177.7	178.3	0	0	0	0	109	K25 T29 D54	K25-S27 PolarHBondContact O-N 2.75Å; S27-T29 VanDerWaalsContact C-N 3.28Å; S27-T29 WeakPolarHBondContact OG-CB 3.48Å; S27-T29 PolarHBondContact OG-N 2.99Å; S27-T29 PolarHBondContact OG-OG1 2.74Å; S27-D54 PolarHBondContact OG-OD1 3.07Å; S27-D54 PolarHBondContact OG-OD2 3.19Å
28	F	95.4	Very high	82.9	Confident	70 Å²	70	132.7 Å²	132.7	31%	0.307	60%	0.598	S	S	.	*			trans	-84.7	-1.6	175.8	-60	-80.8	0	0	0	112.8	T30 Y31 I32 D54 V57	F28-T30 VanDerWaalsContact C-N 3.3Å; F28-T30 PolarHBondContact O-N 3.47Å; F28-T30 VanDerWaalsContact O-N 3.1Å; F28-Y31 HydrophobicContact CD1-CD2 4.33Å; F28-Y31 WeakPolarHBondContact O-CA 3.36Å; F28-Y31 PolarHBondContact O-N 3.48Å; F28-I32 HydrophobicContact CB-CD1 3.88Å; F28-I32 HydrophobicContact CB-CG1 4.16Å; F28-I32 WeakPolarHBondContact O-CG1 3.07Å; F28-I32 PolarHBondContact O-N 3.07Å; F28-D54 WeakPolarHBondContact CA-OD1 3.41Å; F28-D54 WeakPolarHBondContact CB-OD1 3.41Å; F28-D54 PolarHBondContact N-OD1 2.98Å; F28-V57 HydrophobicContact CB-CB 4.45Å; F28-V57 HydrophobicContact CB-CG1 4.2Å; F28-V57 HydrophobicContact CD1-CG1 3.83Å; F28-V57 HydrophobicContact CD2-CB 3.93Å; F28-V57 HydrophobicContact CD2-CG1 3.47Å; F28-V57 VanDerWaalsContact CD2-CG1 3.47Å; F28-V57 HydrophobicContact CE1-CG1 4.02Å; F28-V57 HydrophobicContact CE2-CB 4.41Å; F28-V57 HydrophobicContact CE2-CG1 3.68Å; F28-V57 HydrophobicContact CG-CB 4.18Å; F28-V57 HydrophobicContact CG-CG1 3.55Å; F28-V57 HydrophobicContact CZ-CG1 3.95Å
29	T	95.3	Very high	84.9	Confident	53 Å²	53	127.6 Å²	127.6	33%	0.325	58%	0.583	S	S	.	*	H	α-helix	trans	-42.3	-50.5	-177	-67.1	0	0	0	0	113.7	S27 Y31 I32 Y33 I50	S27-T29 VanDerWaalsContact C-N 3.28Å; S27-T29 WeakPolarHBondContact OG-CB 3.48Å; S27-T29 PolarHBondContact OG-N 2.99Å; S27-T29 PolarHBondContact OG-OG1 2.74Å; T29-Y31 VanDerWaalsContact C-N 3.34Å; T29-Y31 PolarHBondContact O-N 3.39Å; T29-I32 PolarHBondContact O-N 3.3Å; T29-Y33 PolarHBondContact O-N 3.34Å; T29-Y33 VanDerWaalsContact O-N 3.08Å; T29-I50 HydrophobicContact CG2-CG2 3.6Å
30	T	95	Very high	86.8	Confident	89 Å²	89	122.8 Å²	122.8	55%	0.546	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-39.3	-179.4	-56.3	0	0	0	0	112.2	F28 K34	F28-T30 VanDerWaalsContact C-N 3.3Å; F28-T30 PolarHBondContact O-N 3.47Å; F28-T30 VanDerWaalsContact O-N 3.1Å; T30-K34 WeakPolarHBondContact O-CG 3.47Å; T30-K34 PolarHBondContact O-N 3.34Å; T30-K34 VanDerWaalsContact O-N 3.08Å
31	Y	96.8	Very high	88.6	Confident	147 Å²	147	117.3 Å²	117.3	58%	0.576	55%	0.548	S	S	*	.	H	α-helix	trans	-75.1	-39.3	-179.1	-53.5	-67	0	0	0	111.5	F28 T29 Y33 K34 V35	F28-Y31 HydrophobicContact CD1-CD2 4.33Å; F28-Y31 WeakPolarHBondContact O-CA 3.36Å; F28-Y31 PolarHBondContact O-N 3.48Å; T29-Y31 VanDerWaalsContact C-N 3.34Å; T29-Y31 PolarHBondContact O-N 3.39Å; Y31-Y33 VanDerWaalsContact C-N 3.26Å; Y31-Y33 PolarHBondContact O-N 3.43Å; Y31-K34 PolarHBondContact O-N 2.97Å; Y31-K34 VanDerWaalsContact O-N 3.13Å; Y31-V35 WeakPolarHBondContact O-CG2 3.43Å; Y31-V35 PolarHBondContact O-N 2.88Å
32	I	97.4	Very high	90.4	Very high	22 Å²	22	113 Å²	113	11%	0.113	54%	0.544	C	S	.	.	H	α-helix	trans	-55.9	-45.8	173.3	-66.5	162.4	0	0	0	109.7	F28 T29 V35 L36 M53 D54 V57	F28-I32 HydrophobicContact CB-CD1 3.88Å; F28-I32 HydrophobicContact CB-CG1 4.16Å; F28-I32 WeakPolarHBondContact O-CG1 3.07Å; F28-I32 PolarHBondContact O-N 3.07Å; T29-I32 PolarHBondContact O-N 3.3Å; I32-V35 PolarHBondContact O-N 3.13Å; I32-L36 WeakPolarHBondContact O-CB 3.4Å; I32-L36 PolarHBondContact O-N 3.08Å; I32-M53 HydrophobicContact CD1-CB 3.89Å; I32-M53 HydrophobicContact CG1-CB 4.5Å; I32-M53 HydrophobicContact CG2-CB 4Å; I32-M53 HydrophobicContact CG2-CG 4.47Å; I32-D54 HydrophobicContact CD1-CB 4.16Å; I32-V57 HydrophobicContact CD1-CG2 4.42Å
33	Y	96.9	Very high	92	Very high	110 Å²	110	109.5 Å²	109.5	43%	0.431	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-41	176.8	-171.1	-97.7	0	0	0	112.8	T29 Y31 L36 K37 I45	T29-Y33 PolarHBondContact O-N 3.34Å; T29-Y33 VanDerWaalsContact O-N 3.08Å; Y31-Y33 VanDerWaalsContact C-N 3.26Å; Y31-Y33 PolarHBondContact O-N 3.43Å; Y33-L36 PolarHBondContact O-N 3.36Å; Y33-K37 HydrophobicContact CD1-CG 4.17Å; Y33-K37 HydrophobicContact CE1-CG 3.76Å; Y33-K37 VanDerWaalsContact CZ-CE 3.43Å; Y33-K37 WeakPolarHBondContact O-CG 3.45Å; Y33-K37 PolarHBondContact O-N 3.08Å; Y33-K37 WeakPolarHBondContact OH-CE 3.41Å; Y33-I45 HydrophobicContact CD2-CG2 4.24Å
34	K	97.7	Very high	93.5	Very high	123 Å²	123	104.4 Å²	104.4	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-45.7	175.9	-76.7	177.9	176.6	-173.9	0	112	T30 Y31 K37 Q38	T30-K34 WeakPolarHBondContact O-CG 3.47Å; T30-K34 PolarHBondContact O-N 3.34Å; T30-K34 VanDerWaalsContact O-N 3.08Å; Y31-K34 PolarHBondContact O-N 2.97Å; Y31-K34 VanDerWaalsContact O-N 3.13Å; K34-K37 PolarHBondContact O-N 3.46Å; K34-Q38 WeakPolarHBondContact O-CG 3.47Å; K34-Q38 PolarHBondContact O-N 2.86Å
35	V	97.8	Very high	94.9	Very high	80 Å²	80	96 Å²	96	49%	0.485	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-42.6	177.3	174.2	0	0	0	0	110.6	Y31 I32 K37 Q38 V39	Y31-V35 WeakPolarHBondContact O-CG2 3.43Å; Y31-V35 PolarHBondContact O-N 2.88Å; I32-V35 PolarHBondContact O-N 3.13Å; V35-K37 VanDerWaalsContact C-N 3.3Å; V35-K37 PolarHBondContact O-N 3.42Å; V35-Q38 WeakPolarHBondContact O-CB 3.49Å; V35-Q38 PolarHBondContact O-N 3.1Å; V35-Q38 VanDerWaalsContact O-N 3.1Å; V35-V39 HydrophobicContact CG1-CG2 4.44Å; V35-V39 WeakPolarHBondContact O-CG2 3.29Å; V35-V39 PolarHBondContact O-N 2.97Å; V35-V39 VanDerWaalsContact O-N 3.09Å
36	L	98	Very high	96.3	Very high	35 Å²	35	91.1 Å²	91.1	18%	0.183	48%	0.478	C	S	.	.	H	α-helix	trans	-55.3	-46.4	174.3	175.2	65.1	0	0	0	111.4	I32 Y33 Q38 V39 H40 I45	I32-L36 WeakPolarHBondContact O-CB 3.4Å; I32-L36 PolarHBondContact O-N 3.08Å; Y33-L36 PolarHBondContact O-N 3.36Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.69Å; L36-V39 PolarHBondContact O-N 2.95Å; L36-H40 HydrophobicContact CD1-CB 4.39Å; L36-H40 CarbonylContact O-C 3.41Å; L36-H40 PolarHBondContact O-N 2.74Å; L36-I45 HydrophobicContact CD2-CB 3.67Å; L36-I45 HydrophobicContact CD2-CG2 3.48Å; L36-I45 VanDerWaalsContact CD2-CG2 3.48Å
37	K	98.1	Very high	96.9	Very high	65 Å²	65	90.6 Å²	90.6	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-22	179.6	-67.7	-52.3	-168.8	179.7	0	114.3	Y33 K34 V35 P41 F43	Y33-K37 HydrophobicContact CD1-CG 4.17Å; Y33-K37 HydrophobicContact CE1-CG 3.76Å; Y33-K37 VanDerWaalsContact CZ-CE 3.43Å; Y33-K37 WeakPolarHBondContact O-CG 3.45Å; Y33-K37 PolarHBondContact O-N 3.08Å; Y33-K37 WeakPolarHBondContact OH-CE 3.41Å; K34-K37 PolarHBondContact O-N 3.46Å; V35-K37 VanDerWaalsContact C-N 3.3Å; V35-K37 PolarHBondContact O-N 3.42Å; K37-P41 WeakPolarHBondContact CD-O 3.49Å; K37-P41 PolarHBondContact NZ-O 3.44Å; K37-F43 PolarHBondContact NZ-O 2.8Å
38	Q	98.1	Very high	97.1	Very high	156 Å²	156	98.1 Å²	98.1	73%	0.729	50%	0.499	S	S	*	.	H	α-helix	trans	-75.3	-34.2	171.4	-72.9	175.2	-35.3	0	0	112.5	K34 V35 L36	K34-Q38 WeakPolarHBondContact O-CG 3.47Å; K34-Q38 PolarHBondContact O-N 2.86Å; V35-Q38 WeakPolarHBondContact O-CB 3.49Å; V35-Q38 PolarHBondContact O-N 3.1Å; V35-Q38 VanDerWaalsContact O-N 3.1Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.69Å
39	V	98.1	Very high	97.3	Very high	95 Å²	95	96.3 Å²	96.3	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-91.2	-40.1	-177.2	-175.5	0	0	0	0	112.1	V35 L36	V35-V39 HydrophobicContact CG1-CG2 4.44Å; V35-V39 WeakPolarHBondContact O-CG2 3.29Å; V35-V39 PolarHBondContact O-N 2.97Å; V35-V39 VanDerWaalsContact O-N 3.09Å; L36-V39 PolarHBondContact O-N 2.95Å
40	H	97.7	Very high	97.3	Very high	91 Å²	91	95 Å²	95	42%	0.421	49%	0.488	S	S	.	.			trans	-139.2	85	-178.8	-63.2	-63.9	0	0	0	111	L36 D42 F43	L36-H40 HydrophobicContact CD1-CB 4.39Å; L36-H40 CarbonylContact O-C 3.41Å; L36-H40 PolarHBondContact O-N 2.74Å; H40-D42 VanDerWaalsContact C-N 3.26Å; H40-D42 PolarHBondContact O-N 3.01Å; H40-F43 HydrophobicContact CB-CB 3.91Å; H40-F43 HydrophobicContact CB-CD1 4.47Å; H40-F43 HydrophobicContact CB-CD2 4.05Å; H40-F43 HydrophobicContact CB-CG 3.9Å; H40-F43 PolarHBondContact O-N 3.41Å
41	P	97.7	Very high	97.4	Very high	82 Å²	82	94 Å²	94	53%	0.532	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-36.3	-176	-26.9	35	0	0	0	114.3	K37	K37-P41 WeakPolarHBondContact CD-O 3.49Å; K37-P41 PolarHBondContact NZ-O 3.44Å
42	D	97.9	Very high	97.5	Very high	154 Å²	154	92.2 Å²	92.2	82%	0.824	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9	-173.8	-55.9	-42.8	0	0	0	113.7	H40	H40-D42 VanDerWaalsContact C-N 3.26Å; H40-D42 PolarHBondContact O-N 3.01Å
43	F	97	Very high	97.5	Very high	124 Å²	124	94.8 Å²	94.8	54%	0.544	50%	0.496	S	S	.	.			trans	-90.7	140.2	-172.6	-76.8	21	0	0	0	111.8	K37 H40	K37-F43 PolarHBondContact NZ-O 2.8Å; H40-F43 HydrophobicContact CB-CB 3.91Å; H40-F43 HydrophobicContact CB-CD1 4.47Å; H40-F43 HydrophobicContact CB-CD2 4.05Å; H40-F43 HydrophobicContact CB-CG 3.9Å; H40-F43 PolarHBondContact O-N 3.41Å
44	G	96.4	Very high	97.5	Very high	67 Å²	67	90.3 Å²	90.3	69%	0.691	48%	0.48	S	S	*	.			trans	-95.5	164.8	166.7	0	0	0	0	0	111.5
45	I	97.5	Very high	97.5	Very high	53 Å²	53	88.3 Å²	88.3	27%	0.272	48%	0.48	S	S	.	.			trans	-135.4	136	172.5	-174.6	171.2	0	0	0	109	Y33 L36 A49 I50 M53	Y33-I45 HydrophobicContact CD2-CG2 4.24Å; L36-I45 HydrophobicContact CD2-CB 3.67Å; L36-I45 HydrophobicContact CD2-CG2 3.48Å; L36-I45 VanDerWaalsContact CD2-CG2 3.48Å; I45-A49 HydrophobicContact CD1-CB 3.98Å; I45-A49 HydrophobicContact CG1-CB 3.59Å; I45-I50 HydrophobicContact CB-CG1 4.35Å; I45-I50 HydrophobicContact CD1-CG1 4.06Å; I45-I50 HydrophobicContact CG1-CG1 3.99Å; I45-I50 HydrophobicContact CG2-CD1 3.78Å; I45-I50 HydrophobicContact CG2-CG1 3.55Å; I45-M53 HydrophobicContact CD1-CG 4.46Å
46	S	97.7	Very high	97.5	Very high	71 Å²	71	90.2 Å²	90.2	50%	0.497	48%	0.482	S	S	.	.			trans	-71.2	153.5	-179.7	73.3	0	0	0	0	111.3	R48 A49 I50	S46-R48 PolarHBondContact O-N 3.02Å; S46-A49 PolarHBondContact O-N 3.37Å; S46-A49 VanDerWaalsContact O-N 3.07Å; S46-A49 WeakPolarHBondContact OG-CB 3.46Å; S46-A49 PolarHBondContact OG-N 2.95Å; S46-I50 WeakPolarHBondContact O-CG1 3.46Å; S46-I50 PolarHBondContact O-N 2.91Å
47	M	95.9	Very high	97.4	Very high	170 Å²	170	90.7 Å²	90.7	84%	0.837	49%	0.486	S	S	*	.	H	α-helix	trans	-57	-36.1	176.8	-67.9	-171.7	-70.3	0	0	112.5	I50 S51	M47-I50 PolarHBondContact O-N 3.36Å; M47-S51 PolarHBondContact O-N 3.18Å
48	R	97.5	Very high	97.4	Very high	203 Å²	203	89.5 Å²	89.5	77%	0.766	49%	0.486	S	S	*	.	H	α-helix	trans	-64.8	-45	176.3	-170.3	-176	-63	151.9	0	111.2	S46 S51 I52	S46-R48 PolarHBondContact O-N 3.02Å; R48-S51 PolarHBondContact O-N 2.91Å; R48-I52 HydrophobicContact CG-CD1 4.45Å; R48-I52 WeakPolarHBondContact O-CG1 3.36Å; R48-I52 PolarHBondContact O-N 2.99Å
49	A	98.1	Very high	97.3	Very high	32 Å²	32	85.1 Å²	85.1	26%	0.264	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-40.6	177.7	0	0	0	0	0	112	I45 S46 S51 I52 M53	I45-A49 HydrophobicContact CD1-CB 3.98Å; I45-A49 HydrophobicContact CG1-CB 3.59Å; S46-A49 PolarHBondContact O-N 3.37Å; S46-A49 VanDerWaalsContact O-N 3.07Å; S46-A49 WeakPolarHBondContact OG-CB 3.46Å; S46-A49 PolarHBondContact OG-N 2.95Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 3.43Å; A49-I52 PolarHBondContact O-N 2.95Å; A49-M53 WeakPolarHBondContact O-CG 3.42Å; A49-M53 PolarHBondContact O-N 3.33Å
50	I	96.9	Very high	97.3	Very high	27 Å²	27	82.6 Å²	82.6	14%	0.138	45%	0.452	C	S	.	.	H	α-helix	trans	-55.8	-46.8	171	-68.1	177.2	0	0	0	110.7	T29 I45 S46 M47 I52 M53 D54	T29-I50 HydrophobicContact CG2-CG2 3.6Å; I45-I50 HydrophobicContact CB-CG1 4.35Å; I45-I50 HydrophobicContact CD1-CG1 4.06Å; I45-I50 HydrophobicContact CG1-CG1 3.99Å; I45-I50 HydrophobicContact CG2-CD1 3.78Å; I45-I50 HydrophobicContact CG2-CG1 3.55Å; S46-I50 WeakPolarHBondContact O-CG1 3.46Å; S46-I50 PolarHBondContact O-N 2.91Å; M47-I50 PolarHBondContact O-N 3.36Å; I50-I52 VanDerWaalsContact C-N 3.3Å; I50-I52 PolarHBondContact O-N 3.47Å; I50-M53 PolarHBondContact O-N 3.5Å; I50-D54 WeakPolarHBondContact O-CB 3.41Å; I50-D54 PolarHBondContact O-N 3.22Å
51	S	96.5	Very high	97.3	Very high	68 Å²	68	84.5 Å²	84.5	48%	0.476	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-37	-179.9	-173.5	0	0	0	0	112.6	M47 R48 A49 C55	M47-S51 PolarHBondContact O-N 3.18Å; R48-S51 PolarHBondContact O-N 2.91Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 3.43Å; S51-C55 PolarHBondContact O-N 3.23Å; S51-C55 VanDerWaalsContact O-N 3.13Å; S51-C55 PolarHBondContact O-SG 3.17Å; S51-C55 VanDerWaalsContact O-SG 3.34Å
52	I	98	Very high	97.3	Very high	108 Å²	108	86.6 Å²	86.6	55%	0.554	46%	0.462	S	S	*	.	H	α-helix	trans	-65.4	-45.2	175.1	-67.6	166.1	0	0	0	110	R48 A49 I50 D54 C55 F56	R48-I52 HydrophobicContact CG-CD1 4.45Å; R48-I52 WeakPolarHBondContact O-CG1 3.36Å; R48-I52 PolarHBondContact O-N 2.99Å; A49-I52 PolarHBondContact O-N 2.95Å; I50-I52 VanDerWaalsContact C-N 3.3Å; I50-I52 PolarHBondContact O-N 3.47Å; I52-D54 VanDerWaalsContact C-N 3.34Å; I52-D54 PolarHBondContact O-N 3.4Å; I52-C55 PolarHBondContact O-N 2.88Å; I52-F56 WeakPolarHBondContact O-CB 3.4Å; I52-F56 PolarHBondContact O-N 3.45Å
53	M	98	Very high	97.3	Very high	77 Å²	77	86 Å²	86	38%	0.379	45%	0.448	S	S	.	.	H	α-helix	trans	-64.2	-38	177.7	-67.6	-58.1	-63.4	0	0	112.3	I32 I45 A49 I50 F56 V57	I32-M53 HydrophobicContact CD1-CB 3.89Å; I32-M53 HydrophobicContact CG1-CB 4.5Å; I32-M53 HydrophobicContact CG2-CB 4Å; I32-M53 HydrophobicContact CG2-CG 4.47Å; I45-M53 HydrophobicContact CD1-CG 4.46Å; A49-M53 WeakPolarHBondContact O-CG 3.42Å; A49-M53 PolarHBondContact O-N 3.33Å; I50-M53 PolarHBondContact O-N 3.5Å; M53-F56 HydrophobicContact CE-CD1 4.27Å; M53-F56 WeakPolarHBondContact O-CB 3.39Å; M53-F56 PolarHBondContact O-N 2.93Å; M53-V57 WeakPolarHBondContact O-CG2 3.47Å; M53-V57 PolarHBondContact O-N 3.39Å
54	D	96.9	Very high	97.4	Very high	16 Å²	16	81.7 Å²	81.7	9%	0.086	43%	0.431	C	S	.	.	H	α-helix	trans	-61.4	-47.1	175.8	-162.8	48.3	0	0	0	110.9	S27 F28 I32 I50 I52 F56 V57 S58	S27-D54 PolarHBondContact OG-OD1 3.07Å; S27-D54 PolarHBondContact OG-OD2 3.19Å; F28-D54 WeakPolarHBondContact CA-OD1 3.41Å; F28-D54 WeakPolarHBondContact CB-OD1 3.41Å; F28-D54 PolarHBondContact N-OD1 2.98Å; I32-D54 HydrophobicContact CD1-CB 4.16Å; I50-D54 WeakPolarHBondContact O-CB 3.41Å; I50-D54 PolarHBondContact O-N 3.22Å; I52-D54 VanDerWaalsContact C-N 3.34Å; I52-D54 PolarHBondContact O-N 3.4Å; D54-F56 VanDerWaalsContact C-N 3.34Å; D54-F56 PolarHBondContact O-N 2.69Å; D54-V57 PolarHBondContact O-N 2.79Å; D54-S58 PolarHBondContact O-N 3.01Å; D54-S58 PolarHBondContact O-OG 2.97Å; D54-S58 VanDerWaalsContact O-OG 3.14Å
55	C	96.9	Very high	97.5	Very high	80 Å²	80	80.3 Å²	80.3	54%	0.541	41%	0.413	S	S	.	.	H	α-helix	trans	-62.1	-40.2	173.8	-67.9	0	0	0	0	112.4	S51 I52 S58 D59	S51-C55 PolarHBondContact O-N 3.23Å; S51-C55 VanDerWaalsContact O-N 3.13Å; S51-C55 PolarHBondContact O-SG 3.17Å; S51-C55 VanDerWaalsContact O-SG 3.34Å; I52-C55 PolarHBondContact O-N 2.88Å; C55-S58 PolarHBondContact O-N 3.24Å; C55-D59 WeakPolarHBondContact O-CB 3.4Å; C55-D59 PolarHBondContact O-N 2.78Å
56	F	97.9	Very high	97.5	Very high	120 Å²	120	79.8 Å²	79.8	53%	0.526	42%	0.417	S	S	.	.	H	α-helix	trans	-61.6	-46	177.5	171.2	-110.7	0	0	0	112	I52 M53 D54 S58 D59 V60	I52-F56 WeakPolarHBondContact O-CB 3.4Å; I52-F56 PolarHBondContact O-N 3.45Å; M53-F56 HydrophobicContact CE-CD1 4.27Å; M53-F56 WeakPolarHBondContact O-CB 3.39Å; M53-F56 PolarHBondContact O-N 2.93Å; D54-F56 VanDerWaalsContact C-N 3.34Å; D54-F56 PolarHBondContact O-N 2.69Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.22Å; F56-D59 PolarHBondContact O-N 2.96Å; F56-V60 HydrophobicContact CD2-CG2 4.1Å; F56-V60 HydrophobicContact CE1-CG2 4.46Å; F56-V60 HydrophobicContact CE2-CG2 3.63Å; F56-V60 HydrophobicContact CZ-CG2 3.84Å; F56-V60 WeakPolarHBondContact O-CG2 3.37Å; F56-V60 PolarHBondContact O-N 2.76Å
57	V	97.5	Very high	97.6	Very high	46 Å²	46	78 Å²	78	28%	0.279	40%	0.4	S	S	.	.	H	α-helix	trans	-62.3	-43.1	177	176.2	0	0	0	0	110.6	F28 I32 M53 D54 V60 F61	F28-V57 HydrophobicContact CB-CB 4.45Å; F28-V57 HydrophobicContact CB-CG1 4.2Å; F28-V57 HydrophobicContact CD1-CG1 3.83Å; F28-V57 HydrophobicContact CD2-CB 3.93Å; F28-V57 HydrophobicContact CD2-CG1 3.47Å; F28-V57 VanDerWaalsContact CD2-CG1 3.47Å; F28-V57 HydrophobicContact CE1-CG1 4.02Å; F28-V57 HydrophobicContact CE2-CB 4.41Å; F28-V57 HydrophobicContact CE2-CG1 3.68Å; F28-V57 HydrophobicContact CG-CB 4.18Å; F28-V57 HydrophobicContact CG-CG1 3.55Å; F28-V57 HydrophobicContact CZ-CG1 3.95Å; I32-V57 HydrophobicContact CD1-CG2 4.42Å; M53-V57 WeakPolarHBondContact O-CG2 3.47Å; M53-V57 PolarHBondContact O-N 3.39Å; D54-V57 PolarHBondContact O-N 2.79Å; V57-V60 PolarHBondContact O-N 2.94Å; V57-F61 VanDerWaalsContact O-CB 3.27Å; V57-F61 WeakPolarHBondContact O-CB 3.45Å; V57-F61 PolarHBondContact O-N 3.33Å
58	S	96.5	Very high	97.7	Very high	39 Å²	39	69.9 Å²	69.9	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-44.5	176.9	-62.7	0	0	0	0	112.8	D54 C55 F56 F61 E62	D54-S58 PolarHBondContact O-N 3.01Å; D54-S58 PolarHBondContact O-OG 2.97Å; D54-S58 VanDerWaalsContact O-OG 3.14Å; C55-S58 PolarHBondContact O-N 3.24Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.22Å; S58-F61 PolarHBondContact O-N 2.96Å; S58-E62 WeakPolarHBondContact O-CB 3.47Å; S58-E62 WeakPolarHBondContact O-CG 3.5Å; S58-E62 PolarHBondContact O-N 3.01Å
59	D	97.5	Very high	97.7	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.342	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-46.2	178.1	-177.6	22.9	0	0	0	111.4	C55 F56 F61 E62 R63	C55-D59 WeakPolarHBondContact O-CB 3.4Å; C55-D59 PolarHBondContact O-N 2.78Å; F56-D59 PolarHBondContact O-N 2.96Å; D59-F61 VanDerWaalsContact C-N 3.34Å; D59-F61 PolarHBondContact O-N 3.16Å; D59-E62 PolarHBondContact O-N 3.1Å; D59-R63 WeakPolarHBondContact O-CB 3.42Å; D59-R63 VanDerWaalsContact O-CG 3.24Å; D59-R63 WeakPolarHBondContact O-CG 3.49Å; D59-R63 PolarHBondContact O-N 3.49Å; D59-R63 IonicContact OD1-CZ 3.27Å; D59-R63 IonicContact OD1-NE 2.83Å; D59-R63 PolarHBondContact OD1-NE 2.91Å; D59-R63 IonicContact OD1-NH2 2.67Å; D59-R63 PolarHBondContact OD1-NH2 2.82Å; D59-R63 IonicContact OD2-CZ 3.41Å; D59-R63 IonicContact OD2-NE 3.38Å; D59-R63 PolarHBondContact OD2-NE 3.43Å; D59-R63 IonicContact OD2-NH2 3.36Å; D59-R63 PolarHBondContact OD2-NH2 3.06Å
60	V	97.5	Very high	97.7	Very high	42 Å²	42	70.5 Å²	70.5	26%	0.255	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-40.9	176.4	173.9	0	0	0	0	111.5	F56 V57 R63 I64	F56-V60 HydrophobicContact CD2-CG2 4.1Å; F56-V60 HydrophobicContact CE1-CG2 4.46Å; F56-V60 HydrophobicContact CE2-CG2 3.63Å; F56-V60 HydrophobicContact CZ-CG2 3.84Å; F56-V60 WeakPolarHBondContact O-CG2 3.37Å; F56-V60 PolarHBondContact O-N 2.76Å; V57-V60 PolarHBondContact O-N 2.94Å; V60-R63 PolarHBondContact O-N 3.5Å; V60-I64 HydrophobicContact CG1-CD1 3.7Å; V60-I64 HydrophobicContact CG1-CG1 4.4Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.5Å
61	F	97.5	Very high	97.8	Very high	131 Å²	131	70.4 Å²	70.4	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-60.8	-50.4	177	175.9	-89.7	0	0	0	111.5	V57 S58 D59 R63 I64 A65	V57-F61 VanDerWaalsContact O-CB 3.27Å; V57-F61 WeakPolarHBondContact O-CB 3.45Å; V57-F61 PolarHBondContact O-N 3.33Å; S58-F61 PolarHBondContact O-N 2.96Å; D59-F61 VanDerWaalsContact C-N 3.34Å; D59-F61 PolarHBondContact O-N 3.16Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R63 PolarHBondContact O-N 2.92Å; F61-I64 PolarHBondContact O-N 3.41Å; F61-A65 HydrophobicContact CE1-CB 4.46Å; F61-A65 VanDerWaalsContact O-CB 3.31Å; F61-A65 WeakPolarHBondContact O-CB 3.5Å; F61-A65 PolarHBondContact O-N 2.9Å
62	E	97.7	Very high	97.9	Very high	127 Å²	127	67.3 Å²	67.3	59%	0.593	34%	0.338	S	S	*	.	H	α-helix	trans	-61.2	-42	-180	-74.9	176.8	-170.4	0	0	111.5	S58 D59 A65 A66	S58-E62 WeakPolarHBondContact O-CB 3.47Å; S58-E62 WeakPolarHBondContact O-CG 3.5Å; S58-E62 PolarHBondContact O-N 3.01Å; D59-E62 PolarHBondContact O-N 3.1Å; E62-A65 PolarHBondContact O-N 3.39Å; E62-A66 VanDerWaalsContact O-CB 3.24Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 2.83Å
63	R	98.4	Very high	97.9	Very high	140 Å²	140	67.6 Å²	67.6	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-48.6	175.7	-70.2	175.3	-166.7	-155.5	8.3	112.1	D59 V60 F61 A66 E67 L92	D59-R63 WeakPolarHBondContact O-CB 3.42Å; D59-R63 VanDerWaalsContact O-CG 3.24Å; D59-R63 WeakPolarHBondContact O-CG 3.49Å; D59-R63 PolarHBondContact O-N 3.49Å; D59-R63 IonicContact OD1-CZ 3.27Å; D59-R63 IonicContact OD1-NE 2.83Å; D59-R63 PolarHBondContact OD1-NE 2.91Å; D59-R63 IonicContact OD1-NH2 2.67Å; D59-R63 PolarHBondContact OD1-NH2 2.82Å; D59-R63 IonicContact OD2-CZ 3.41Å; D59-R63 IonicContact OD2-NE 3.38Å; D59-R63 PolarHBondContact OD2-NE 3.43Å; D59-R63 IonicContact OD2-NH2 3.36Å; D59-R63 PolarHBondContact OD2-NH2 3.06Å; V60-R63 PolarHBondContact O-N 3.5Å; F61-R63 VanDerWaalsContact C-N 3.33Å; F61-R63 PolarHBondContact O-N 2.92Å; R63-A66 PolarHBondContact O-N 3.26Å; R63-E67 WeakPolarHBondContact O-CB 3.43Å; R63-E67 PolarHBondContact O-N 3.41Å; R63-L92 VanDerWaalsContact C-CD1 3.49Å; R63-L92 HydrophobicContact CB-CD1 4.01Å; R63-L92 HydrophobicContact CB-CD2 4.36Å; R63-L92 WeakPolarHBondContact O-CD1 3.38Å
64	I	98.4	Very high	97.9	Very high	34 Å²	34	71.7 Å²	71.7	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-44.3	179.2	-68.4	169	0	0	0	110.4	V60 F61 E67 S68 V85 A88 V89 L92	V60-I64 HydrophobicContact CG1-CD1 3.7Å; V60-I64 HydrophobicContact CG1-CG1 4.4Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.5Å; F61-I64 PolarHBondContact O-N 3.41Å; I64-E67 PolarHBondContact O-N 3.14Å; I64-S68 VanDerWaalsContact O-CB 3.27Å; I64-S68 WeakPolarHBondContact O-CB 3.16Å; I64-S68 PolarHBondContact O-N 2.98Å; I64-S68 PolarHBondContact O-OG 3.13Å; I64-V85 HydrophobicContact CG2-CG1 3.99Å; I64-A88 HydrophobicContact CG2-CB 4.35Å; I64-V89 HydrophobicContact CD1-CG2 4.02Å; I64-V89 HydrophobicContact CG1-CG2 4.38Å; I64-V89 HydrophobicContact CG2-CG2 4.38Å; I64-L92 HydrophobicContact CB-CD1 4.26Å; I64-L92 HydrophobicContact CG1-CD1 3.73Å
65	A	98.4	Very high	97.9	Very high	39 Å²	39	75.5 Å²	75.5	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-46.3	179.5	0	0	0	0	0	111.7	F61 E62 E67 S68 F69	F61-A65 HydrophobicContact CE1-CB 4.46Å; F61-A65 VanDerWaalsContact O-CB 3.31Å; F61-A65 WeakPolarHBondContact O-CB 3.5Å; F61-A65 PolarHBondContact O-N 2.9Å; E62-A65 PolarHBondContact O-N 3.39Å; A65-E67 PolarHBondContact O-N 2.94Å; A65-S68 PolarHBondContact O-N 3.14Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.47Å
66	A	98.5	Very high	97.9	Very high	42 Å²	42	80.2 Å²	80.2	35%	0.347	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-43.7	177.9	0	0	0	0	0	111.9	E62 R63 F69 R70	E62-A66 VanDerWaalsContact O-CB 3.24Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 2.83Å; R63-A66 PolarHBondContact O-N 3.26Å; A66-F69 PolarHBondContact O-N 2.78Å; A66-R70 WeakPolarHBondContact O-CG 3.41Å; A66-R70 PolarHBondContact O-N 3.07Å
67	E	98.5	Very high	97.9	Very high	32 Å²	32	78.7 Å²	78.7	15%	0.15	37%	0.374	C	S	.	.	H	α-helix	trans	-70.4	-38	178.8	-168.3	61.4	-162.2	0	0	112	R63 I64 A65 F69 R70 L71 A88 L91 L92	R63-E67 WeakPolarHBondContact O-CB 3.43Å; R63-E67 PolarHBondContact O-N 3.41Å; I64-E67 PolarHBondContact O-N 3.14Å; A65-E67 PolarHBondContact O-N 2.94Å; E67-F69 VanDerWaalsContact C-N 3.3Å; E67-F69 PolarHBondContact O-N 3.19Å; E67-R70 PolarHBondContact O-N 2.9Å; E67-R70 IonicContact OE2-CZ 3.72Å; E67-R70 IonicContact OE2-NH1 2.76Å; E67-R70 PolarHBondContact OE2-NH1 3.34Å; E67-L71 HydrophobicContact CG-CD1 4.42Å; E67-L71 WeakPolarHBondContact O-CB 3.46Å; E67-L71 VanDerWaalsContact O-CG 3.27Å; E67-L71 WeakPolarHBondContact O-CG 3.28Å; E67-L71 PolarHBondContact O-N 2.88Å; E67-A88 HydrophobicContact CB-CB 3.82Å; E67-A88 HydrophobicContact CG-CB 3.89Å; E67-L91 HydrophobicContact CG-CD1 4.1Å; E67-L91 WeakPolarHBondContact OE1-CD1 3.39Å; E67-L92 HydrophobicContact CB-CD1 4.01Å; E67-L92 HydrophobicContact CB-CG 4.47Å
68	S	98.6	Very high	97.9	Very high	1 Å²	1	84.6 Å²	84.6	1%	0.007	40%	0.404	C	S	.	.	H	α-helix	trans	-63	-38.6	174.3	-55.1	0	0	0	0	111.7	I64 A65 L71 A72 V85 A88	I64-S68 VanDerWaalsContact O-CB 3.27Å; I64-S68 WeakPolarHBondContact O-CB 3.16Å; I64-S68 PolarHBondContact O-N 2.98Å; I64-S68 PolarHBondContact O-OG 3.13Å; A65-S68 PolarHBondContact O-N 3.14Å; S68-L71 PolarHBondContact O-N 3.1Å; S68-A72 PolarHBondContact O-N 3.46Å; S68-V85 WeakPolarHBondContact OG-CA 3.27Å; S68-A88 WeakPolarHBondContact OG-CB 3.37Å
69	F	98.3	Very high	97.9	Very high	124 Å²	124	87.9 Å²	87.9	54%	0.544	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-47.7	173.6	170.3	-100.9	0	0	0	111.7	A65 A66 E67 L71 A72 H73 I80	A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.47Å; A66-F69 PolarHBondContact O-N 2.78Å; E67-F69 VanDerWaalsContact C-N 3.3Å; E67-F69 PolarHBondContact O-N 3.19Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 2.91Å; F69-A72 PolarHBondContact O-N 3.45Å; F69-H73 WeakPolarHBondContact O-CB 3.37Å; F69-H73 PolarHBondContact O-N 3.34Å; F69-I80 HydrophobicContact CB-CD1 4.02Å
70	R	98.4	Very high	98	Very high	124 Å²	124	88.7 Å²	88.7	47%	0.468	43%	0.426	S	S	.	.	H	α-helix	trans	-57.6	-44.8	176.1	-70.8	176.1	-163.5	154.2	-2.3	111.5	A66 E67 H73 Y74	A66-R70 WeakPolarHBondContact O-CG 3.41Å; A66-R70 PolarHBondContact O-N 3.07Å; E67-R70 PolarHBondContact O-N 2.9Å; E67-R70 IonicContact OE2-CZ 3.72Å; E67-R70 IonicContact OE2-NH1 2.76Å; E67-R70 PolarHBondContact OE2-NH1 3.34Å; R70-H73 PolarHBondContact O-N 3.34Å; R70-Y74 HydrophobicContact CB-CD2 4.46Å; R70-Y74 HydrophobicContact CB-CE2 4.04Å; R70-Y74 WeakPolarHBondContact O-CB 3.43Å; R70-Y74 WeakPolarHBondContact O-CD2 3.25Å; R70-Y74 PolarHBondContact O-N 3.27Å
71	L	98.4	Very high	98	Very high	25 Å²	25	88.3 Å²	88.3	13%	0.131	43%	0.425	C	S	.	.	H	α-helix	trans	-61.3	-44.7	177.4	-72.1	166.4	0	0	0	112.4	E67 S68 F69 N75 D84 T87 A88 L91	E67-L71 HydrophobicContact CG-CD1 4.42Å; E67-L71 WeakPolarHBondContact O-CB 3.46Å; E67-L71 VanDerWaalsContact O-CG 3.27Å; E67-L71 WeakPolarHBondContact O-CG 3.28Å; E67-L71 PolarHBondContact O-N 2.88Å; S68-L71 PolarHBondContact O-N 3.1Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 2.91Å; L71-N75 PolarHBondContact O-N 3.47Å; L71-N75 PolarHBondContact O-ND2 3.46Å; L71-D84 HydrophobicContact CB-CB 4.29Å; L71-D84 WeakPolarHBondContact CD1-O 3.42Å; L71-T87 HydrophobicContact CD1-CG2 3.81Å; L71-T87 HydrophobicContact CD2-CG2 4.04Å; L71-A88 HydrophobicContact CD1-CB 4.05Å; L71-L91 HydrophobicContact CD1-CD1 4.37Å; L71-L91 HydrophobicContact CD2-CD1 4.34Å
72	A	98.4	Very high	97.9	Very high	2 Å²	2	84.7 Å²	84.7	2%	0.017	42%	0.416	C	S	.	.	H	α-helix	trans	-62.4	-45.4	175.6	0	0	0	0	0	111.3	S68 F69 N75 H76 R77 I80	S68-A72 PolarHBondContact O-N 3.46Å; F69-A72 PolarHBondContact O-N 3.45Å; A72-N75 CarbonylContact O-C 3.48Å; A72-N75 PolarHBondContact O-N 3.47Å; A72-N75 VanDerWaalsContact O-N 3.12Å; A72-H76 PolarHBondContact O-N 3.13Å; A72-R77 CarbonylContact C-O 3.45Å; A72-R77 PolarHBondContact O-N 2.95Å; A72-I80 HydrophobicContact CB-CG1 4.08Å
73	H	97.7	Very high	97.9	Very high	114 Å²	114	87.5 Å²	87.5	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-43.4	179.6	-171.8	67.2	0	0	0	112.8	F69 R70 N75 H76	F69-H73 WeakPolarHBondContact O-CB 3.37Å; F69-H73 PolarHBondContact O-N 3.34Å; R70-H73 PolarHBondContact O-N 3.34Å; H73-N75 PolarHBondContact O-N 3.3Å; H73-H76 PolarHBondContact O-N 2.93Å
74	Y	97.4	Very high	97.8	Very high	163 Å²	163	81.1 Å²	81.1	64%	0.639	40%	0.397	S	S	*	.	H	α-helix	trans	-62.4	-25.4	175.2	-67.9	-32.7	0	0	0	113.4	R70 H76	R70-Y74 HydrophobicContact CB-CD2 4.46Å; R70-Y74 HydrophobicContact CB-CE2 4.04Å; R70-Y74 WeakPolarHBondContact O-CB 3.43Å; R70-Y74 WeakPolarHBondContact O-CD2 3.25Å; R70-Y74 PolarHBondContact O-N 3.27Å; Y74-H76 VanDerWaalsContact C-N 3.33Å
75	N	97.2	Very high	97.8	Very high	96 Å²	96	82.3 Å²	82.3	51%	0.513	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	14.1	175.4	-71.4	-78	0	0	0	112.7	L71 A72 H73 R77	L71-N75 PolarHBondContact O-N 3.47Å; L71-N75 PolarHBondContact O-ND2 3.46Å; A72-N75 CarbonylContact O-C 3.48Å; A72-N75 PolarHBondContact O-N 3.47Å; A72-N75 VanDerWaalsContact O-N 3.12Å; H73-N75 PolarHBondContact O-N 3.3Å; N75-R77 VanDerWaalsContact C-N 3.25Å; N75-R77 PolarHBondContact O-N 3.47Å
76	H	97.5	Very high	97.8	Very high	180 Å²	180	83 Å²	83	83%	0.833	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.6	-178.3	-53	-67.3	0	0	0	113.5	A72 H73 Y74	A72-H76 PolarHBondContact O-N 3.13Å; H73-H76 PolarHBondContact O-N 2.93Å; Y74-H76 VanDerWaalsContact C-N 3.33Å
77	R	97.7	Very high	97.8	Very high	88 Å²	88	82.9 Å²	82.9	33%	0.332	40%	0.398	S	S	.	.			trans	-115.7	135	176.7	-66.5	-173.4	-66.1	137.6	1.1	110.7	A72 N75 T79 S81 D84	A72-R77 CarbonylContact C-O 3.45Å; A72-R77 PolarHBondContact O-N 2.95Å; N75-R77 VanDerWaalsContact C-N 3.25Å; N75-R77 PolarHBondContact O-N 3.47Å; R77-T79 VanDerWaalsContact C-N 3.33Å; R77-S81 PolarHBondContact NH1-OG 3.45Å; R77-S81 VanDerWaalsContact NH1-OG 3.09Å; R77-D84 IonicContact CZ-OD1 2.74Å; R77-D84 IonicContact CZ-OD2 2.74Å; R77-D84 IonicContact NH1-OD2 3.19Å; R77-D84 PolarHBondContact NH1-OD2 3.03Å; R77-D84 IonicContact NH2-OD1 3.47Å; R77-D84 PolarHBondContact NH2-OD1 3.38Å; R77-D84 IonicContact NH2-OD2 3.84Å; R77-D84 PolarHBondContact NH2-OD2 3.39Å
78	D	96.4	Very high	97.7	Very high	169 Å²	169	81.4 Å²	81.4	90%	0.904	39%	0.391	S	S	*	.	S	Bend	trans	-85.5	-9.2	174.7	-59.9	-39.1	0	0	0	112.9
79	T	98.1	Very high	97.7	Very high	109 Å²	109	82 Å²	82	67%	0.669	40%	0.395	S	S	*	.	S	Bend	trans	-112.7	121.8	-179.1	-57.5	0	0	0	0	110.8	R77 S81	R77-T79 VanDerWaalsContact C-N 3.33Å; T79-S81 PolarHBondContact O-N 3.5Å
80	I	98.1	Very high	97.7	Very high	80 Å²	80	83 Å²	83	41%	0.41	40%	0.395	S	S	.	.			trans	-72.2	123	171	-60.2	175.1	0	0	0	108.7	F69 A72 D84 V85	F69-I80 HydrophobicContact CB-CD1 4.02Å; A72-I80 HydrophobicContact CB-CG1 4.08Å; I80-D84 HydrophobicContact CG2-CB 4.06Å; I80-V85 HydrophobicContact CG2-CG2 4.14Å
81	S	97.5	Very high	97.7	Very high	34 Å²	34	82.2 Å²	82.2	24%	0.238	40%	0.4	C	S	.	.			trans	-100.4	165.5	176.5	70.3	0	0	0	0	112	R77 T79 R83 D84 V85	R77-S81 PolarHBondContact NH1-OG 3.45Å; R77-S81 VanDerWaalsContact NH1-OG 3.09Å; T79-S81 PolarHBondContact O-N 3.5Å; S81-R83 PolarHBondContact O-N 3Å; S81-R83 PolarHBondContact OG-N 3.48Å; S81-D84 WeakPolarHBondContact CA-OD2 3.41Å; S81-D84 WeakPolarHBondContact CB-OD2 3.39Å; S81-D84 PolarHBondContact N-OD2 2.89Å; S81-D84 WeakPolarHBondContact O-CB 3.48Å; S81-D84 PolarHBondContact O-N 3.49Å; S81-D84 PolarHBondContact OG-OD2 2.91Å; S81-V85 PolarHBondContact O-N 3.48Å
82	S	96.4	Very high	97.6	Very high	56 Å²	56	84.1 Å²	84.1	39%	0.392	41%	0.409	S	S	.	.	H	α-helix	trans	-55.7	-31.2	171.5	55	0	0	0	0	113	D84 V85 Q86 M109	S82-D84 VanDerWaalsContact C-N 3.33Å; S82-D84 PolarHBondContact O-N 3.29Å; S82-V85 PolarHBondContact O-N 2.91Å; S82-Q86 WeakPolarHBondContact O-CB 3.4Å; S82-Q86 VanDerWaalsContact O-CG 3.25Å; S82-Q86 WeakPolarHBondContact O-CG 3.5Å; S82-Q86 PolarHBondContact O-N 3.04Å; S82-M109 VanDerWaalsContact CB-CE 3.48Å; S82-M109 VanDerWaalsContact CB-SD 3.6Å; S82-M109 WeakPolarHBondContact OG-CE 3.43Å
83	R	96.7	Very high	97.6	Very high	186 Å²	186	86.2 Å²	86.2	70%	0.702	42%	0.42	S	S	*	.	H	α-helix	trans	-65.6	-35.2	176	-171.6	176.3	-174.7	168.7	1.3	112.4	S81 T87	S81-R83 PolarHBondContact O-N 3Å; S81-R83 PolarHBondContact OG-N 3.48Å; R83-T87 WeakPolarHBondContact O-CB 3.42Å; R83-T87 PolarHBondContact O-N 3.46Å; R83-T87 PolarHBondContact O-OG1 3.42Å
84	D	97.9	Very high	97.5	Very high	5 Å²	5	85 Å²	85	3%	0.027	42%	0.423	C	S	.	.	H	α-helix	trans	-67.6	-46	176.2	-58.2	-58.2	0	0	0	110	L71 R77 I80 S81 S82 Q86 T87 A88	L71-D84 HydrophobicContact CB-CB 4.29Å; L71-D84 WeakPolarHBondContact CD1-O 3.42Å; R77-D84 IonicContact CZ-OD1 2.74Å; R77-D84 IonicContact CZ-OD2 2.74Å; R77-D84 IonicContact NH1-OD2 3.19Å; R77-D84 PolarHBondContact NH1-OD2 3.03Å; R77-D84 IonicContact NH2-OD1 3.47Å; R77-D84 PolarHBondContact NH2-OD1 3.38Å; R77-D84 IonicContact NH2-OD2 3.84Å; R77-D84 PolarHBondContact NH2-OD2 3.39Å; I80-D84 HydrophobicContact CG2-CB 4.06Å; S81-D84 WeakPolarHBondContact CA-OD2 3.41Å; S81-D84 WeakPolarHBondContact CB-OD2 3.39Å; S81-D84 PolarHBondContact N-OD2 2.89Å; S81-D84 WeakPolarHBondContact O-CB 3.48Å; S81-D84 PolarHBondContact O-N 3.49Å; S81-D84 PolarHBondContact OG-OD2 2.91Å; S82-D84 VanDerWaalsContact C-N 3.33Å; S82-D84 PolarHBondContact O-N 3.29Å; D84-Q86 PolarHBondContact O-N 3.34Å; D84-T87 PolarHBondContact O-N 2.79Å; D84-A88 WeakPolarHBondContact O-CB 3.26Å; D84-A88 PolarHBondContact O-N 3.46Å
85	V	98.2	Very high	97.3	Very high	60 Å²	60	79.8 Å²	79.8	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-60.7	-45.4	176.2	-178.3	0	0	0	0	111.5	I64 S68 I80 S81 S82 T87 A88 V89	I64-V85 HydrophobicContact CG2-CG1 3.99Å; S68-V85 WeakPolarHBondContact OG-CA 3.27Å; I80-V85 HydrophobicContact CG2-CG2 4.14Å; S81-V85 PolarHBondContact O-N 3.48Å; S82-V85 PolarHBondContact O-N 2.91Å; V85-T87 VanDerWaalsContact C-N 3.32Å; V85-T87 PolarHBondContact O-N 2.98Å; V85-A88 PolarHBondContact O-N 2.91Å; V85-V89 VanDerWaalsContact O-CG2 3.26Å; V85-V89 WeakPolarHBondContact O-CG2 3.43Å; V85-V89 PolarHBondContact O-N 3.06Å
86	Q	97.6	Very high	97.2	Very high	52 Å²	52	77.3 Å²	77.3	24%	0.243	42%	0.415	C	S	.	.	H	α-helix	trans	-60.6	-41.9	175.9	-73.3	174.7	25.1	0	0	111.9	S82 D84 V89 R90 L102	S82-Q86 WeakPolarHBondContact O-CB 3.4Å; S82-Q86 VanDerWaalsContact O-CG 3.25Å; S82-Q86 WeakPolarHBondContact O-CG 3.5Å; S82-Q86 PolarHBondContact O-N 3.04Å; D84-Q86 PolarHBondContact O-N 3.34Å; Q86-V89 PolarHBondContact O-N 3.17Å; Q86-R90 WeakPolarHBondContact O-CG 3.32Å; Q86-R90 PolarHBondContact O-N 3.37Å; Q86-R90 VanDerWaalsContact O-N 3.17Å; Q86-L102 HydrophobicContact CB-CD2 3.65Å; Q86-L102 HydrophobicContact CG-CD2 3.87Å; Q86-L102 WeakPolarHBondContact O-CD2 3.38Å
87	T	97.9	Very high	97.1	Very high	41 Å²	41	73.8 Å²	73.8	25%	0.252	40%	0.402	S	S	.	.	H	α-helix	trans	-69.8	-42.5	179.3	-55.3	0	0	0	0	111	L71 R83 D84 V85 V89 R90 L91	L71-T87 HydrophobicContact CD1-CG2 3.81Å; L71-T87 HydrophobicContact CD2-CG2 4.04Å; R83-T87 WeakPolarHBondContact O-CB 3.42Å; R83-T87 PolarHBondContact O-N 3.46Å; R83-T87 PolarHBondContact O-OG1 3.42Å; D84-T87 PolarHBondContact O-N 2.79Å; V85-T87 VanDerWaalsContact C-N 3.32Å; V85-T87 PolarHBondContact O-N 2.98Å; T87-V89 VanDerWaalsContact C-N 3.31Å; T87-V89 PolarHBondContact O-N 3.37Å; T87-R90 WeakPolarHBondContact O-CB 3.42Å; T87-R90 PolarHBondContact O-N 3.45Å; T87-L91 HydrophobicContact CG2-CD1 4.37Å; T87-L91 WeakPolarHBondContact O-CG 3.48Å; T87-L91 PolarHBondContact O-N 3.18Å
88	A	98.3	Very high	97.1	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-56.2	-44.2	173	0	0	0	0	0	111.9	I64 E67 S68 L71 D84 V85 R90 L91 L92	I64-A88 HydrophobicContact CG2-CB 4.35Å; E67-A88 HydrophobicContact CB-CB 3.82Å; E67-A88 HydrophobicContact CG-CB 3.89Å; S68-A88 WeakPolarHBondContact OG-CB 3.37Å; L71-A88 HydrophobicContact CD1-CB 4.05Å; D84-A88 WeakPolarHBondContact O-CB 3.26Å; D84-A88 PolarHBondContact O-N 3.46Å; V85-A88 PolarHBondContact O-N 2.91Å; A88-R90 VanDerWaalsContact C-N 3.3Å; A88-R90 PolarHBondContact O-N 2.94Å; A88-L91 PolarHBondContact O-N 3.38Å; A88-L91 VanDerWaalsContact O-N 3.14Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 2.8Å
89	V	98.3	Very high	97.2	Very high	14 Å²	14	69.8 Å²	69.8	9%	0.085	38%	0.381	C	S	.	.	H	α-helix	trans	-60.5	-38.4	175.9	168.1	0	0	0	0	111.9	I64 V85 Q86 T87 L91 L93 A101 L102	I64-V89 HydrophobicContact CD1-CG2 4.02Å; I64-V89 HydrophobicContact CG1-CG2 4.38Å; I64-V89 HydrophobicContact CG2-CG2 4.38Å; V85-V89 VanDerWaalsContact O-CG2 3.26Å; V85-V89 WeakPolarHBondContact O-CG2 3.43Å; V85-V89 PolarHBondContact O-N 3.06Å; Q86-V89 PolarHBondContact O-N 3.17Å; T87-V89 VanDerWaalsContact C-N 3.31Å; T87-V89 PolarHBondContact O-N 3.37Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-L93 HydrophobicContact CG1-CD1 3.93Å; V89-L93 HydrophobicContact CG1-CG 4.39Å; V89-L93 WeakPolarHBondContact O-CB 3.37Å; V89-L93 PolarHBondContact O-N 3.07Å; V89-A101 HydrophobicContact CG1-CB 3.76Å; V89-L102 HydrophobicContact CG1-CD2 4.39Å; V89-L102 HydrophobicContact CG1-CG 4.3Å
90	R	97.3	Very high	97.2	Very high	145 Å²	145	71 Å²	71	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-36.3	175.1	-71.2	174.7	-172.8	159.1	4.5	112.8	Q86 T87 A88 L102	Q86-R90 WeakPolarHBondContact O-CG 3.32Å; Q86-R90 PolarHBondContact O-N 3.37Å; Q86-R90 VanDerWaalsContact O-N 3.17Å; T87-R90 WeakPolarHBondContact O-CB 3.42Å; T87-R90 PolarHBondContact O-N 3.45Å; A88-R90 VanDerWaalsContact C-N 3.3Å; A88-R90 PolarHBondContact O-N 2.94Å; R90-L102 HydrophobicContact CG-CD1 3.61Å; R90-L102 HydrophobicContact CG-CD2 4.4Å; R90-L102 HydrophobicContact CG-CG 4.43Å; R90-L102 VanDerWaalsContact NE-CD1 3.29Å
91	L	97.8	Very high	97.1	Very high	108 Å²	108	69 Å²	69	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-75.7	-36.6	-179.3	-66.2	172.7	0	0	0	112	E67 L71 T87 A88 V89	E67-L91 HydrophobicContact CG-CD1 4.1Å; E67-L91 WeakPolarHBondContact OE1-CD1 3.39Å; L71-L91 HydrophobicContact CD1-CD1 4.37Å; L71-L91 HydrophobicContact CD2-CD1 4.34Å; T87-L91 HydrophobicContact CG2-CD1 4.37Å; T87-L91 WeakPolarHBondContact O-CG 3.48Å; T87-L91 PolarHBondContact O-N 3.18Å; A88-L91 PolarHBondContact O-N 3.38Å; A88-L91 VanDerWaalsContact O-N 3.14Å; V89-L91 VanDerWaalsContact C-N 3.34Å
92	L	97.9	Very high	97.1	Very high	65 Å²	65	68.5 Å²	68.5	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-90.1	-34.1	-172.9	-66.8	168.7	0	0	0	114.2	R63 I64 E67 A88	R63-L92 VanDerWaalsContact C-CD1 3.49Å; R63-L92 HydrophobicContact CB-CD1 4.01Å; R63-L92 HydrophobicContact CB-CD2 4.36Å; R63-L92 WeakPolarHBondContact O-CD1 3.38Å; I64-L92 HydrophobicContact CB-CD1 4.26Å; I64-L92 HydrophobicContact CG1-CD1 3.73Å; E67-L92 HydrophobicContact CB-CD1 4.01Å; E67-L92 HydrophobicContact CB-CG 4.47Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 2.8Å
93	L	97.2	Very high	97.2	Very high	46 Å²	46	68.3 Å²	68.3	24%	0.241	37%	0.367	C	S	.	.	S	Bend	trans	-99.7	137.3	-175.1	-59	-172.6	0	0	0	112.1	V89 L97 S98 A101	V89-L93 HydrophobicContact CG1-CD1 3.93Å; V89-L93 HydrophobicContact CG1-CG 4.39Å; V89-L93 WeakPolarHBondContact O-CB 3.37Å; V89-L93 PolarHBondContact O-N 3.07Å; L93-L97 HydrophobicContact CB-CB 4.34Å; L93-S98 WeakPolarHBondContact O-CB 3.37Å; L93-A101 HydrophobicContact CD1-CB 3.8Å
94	P	96.8	Very high	97.2	Very high	89 Å²	89	64.6 Å²	64.6	58%	0.578	36%	0.358	S	S	*	.			trans	-73.9	138.8	-178.4	30.2	-35.2	0	0	0	112.2	G96 L97 S98	P94-G96 PolarHBondContact O-N 3.27Å; P94-G96 VanDerWaalsContact O-N 3.13Å; P94-L97 HydrophobicContact CG-CD1 3.98Å; P94-L97 WeakPolarHBondContact O-CB 3.36Å; P94-L97 PolarHBondContact O-N 2.83Å; P94-S98 PolarHBondContact O-N 2.8Å
95	G	92.6	Very high	97.2	Very high	52 Å²	52	66 Å²	66	54%	0.536	37%	0.373	S	S	.	.	H	α-helix	trans	37.4	-107.4	159.8	0	0	0	0	0	116.5	L97 S98 K99	G95-L97 VanDerWaalsContact C-N 3.34Å; G95-L97 PolarHBondContact O-N 3.04Å; G95-S98 PolarHBondContact O-N 2.93Å; G95-S98 PolarHBondContact O-OG 3.14Å; G95-K99 PolarHBondContact O-N 2.58Å
96	G	94.6	Very high	97.1	Very high	44 Å²	44	66.2 Å²	66.2	45%	0.454	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-35.5	-177.2	0	0	0	0	0	113.9	P94 S98 K99 H100	P94-G96 PolarHBondContact O-N 3.27Å; P94-G96 VanDerWaalsContact O-N 3.13Å; G96-S98 PolarHBondContact O-N 3.44Å; G96-K99 PolarHBondContact O-N 3.18Å; G96-H100 PolarHBondContact O-CD2 3.45Å; G96-H100 PolarHBondContact O-N 3.27Å; G96-H100 VanDerWaalsContact O-N 3.14Å
97	L	97	Very high	97.1	Very high	107 Å²	107	68.5 Å²	68.5	56%	0.56	38%	0.383	S	S	*	.	H	α-helix	trans	-64.9	-40.9	-179.8	-67	-179.5	0	0	0	111.6	L93 P94 G95 K99 H100 A101	L93-L97 HydrophobicContact CB-CB 4.34Å; P94-L97 HydrophobicContact CG-CD1 3.98Å; P94-L97 WeakPolarHBondContact O-CB 3.36Å; P94-L97 PolarHBondContact O-N 2.83Å; G95-L97 VanDerWaalsContact C-N 3.34Å; G95-L97 PolarHBondContact O-N 3.04Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.09Å; L97-H100 PolarHBondContact O-N 3.01Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.39Å; L97-A101 PolarHBondContact O-N 3.48Å
98	S	97.2	Very high	97.1	Very high	16 Å²	16	69.4 Å²	69.4	11%	0.112	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-39.7	177.5	66.4	0	0	0	0	111.7	L93 P94 G95 G96 A101 L102	L93-S98 WeakPolarHBondContact O-CB 3.37Å; P94-S98 PolarHBondContact O-N 2.8Å; G95-S98 PolarHBondContact O-N 2.93Å; G95-S98 PolarHBondContact O-OG 3.14Å; G96-S98 PolarHBondContact O-N 3.44Å; S98-A101 PolarHBondContact O-N 2.89Å; S98-L102 WeakPolarHBondContact O-CB 3.42Å; S98-L102 WeakPolarHBondContact O-CD1 3.27Å; S98-L102 WeakPolarHBondContact O-CG 3.31Å; S98-L102 PolarHBondContact O-N 2.9Å
99	K	97.4	Very high	96.9	Very high	157 Å²	157	73.2 Å²	73.2	68%	0.683	41%	0.414	S	S	*	.	H	α-helix	trans	-60.1	-47.5	176.3	-66.6	-178.4	-178	-179	0	112.1	G95 G96 L97 S103	G95-K99 PolarHBondContact O-N 2.58Å; G96-K99 PolarHBondContact O-N 3.18Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.09Å; K99-S103 WeakPolarHBondContact O-CB 3.31Å; K99-S103 PolarHBondContact O-N 2.86Å; K99-S103 VanDerWaalsContact O-N 3.1Å
100	H	97.9	Very high	96.8	Very high	134 Å²	134	75.7 Å²	75.7	62%	0.62	43%	0.432	S	S	*	.	H	α-helix	trans	-67	-44.8	178.1	-68.7	-64.1	0	0	0	112	G96 L97 L102 S103 E104	G96-H100 PolarHBondContact O-CD2 3.45Å; G96-H100 PolarHBondContact O-N 3.27Å; G96-H100 VanDerWaalsContact O-N 3.14Å; L97-H100 PolarHBondContact O-N 3.01Å; H100-L102 PolarHBondContact O-N 2.64Å; H100-S103 WeakPolarHBondContact O-CB 3.49Å; H100-S103 PolarHBondContact O-N 3.44Å; H100-S103 VanDerWaalsContact O-N 3.16Å; H100-E104 PolarHBondContact O-N 3.02Å
101	A	97.8	Very high	96.8	Very high	37 Å²	37	76.4 Å²	76.4	31%	0.306	44%	0.439	S	S	.	.	H	α-helix	trans	-60.1	-43	178.8	0	0	0	0	0	112.5	V89 L93 L97 S98 E104 G105	V89-A101 HydrophobicContact CG1-CB 3.76Å; L93-A101 HydrophobicContact CD1-CB 3.8Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.39Å; L97-A101 PolarHBondContact O-N 3.48Å; S98-A101 PolarHBondContact O-N 2.89Å; A101-E104 PolarHBondContact O-N 3.43Å; A101-G105 PolarHBondContact O-N 3.47Å
102	L	97.3	Very high	96.7	Very high	25 Å²	25	78.8 Å²	78.8	13%	0.131	44%	0.442	C	S	.	.	H	α-helix	trans	-64	-40.4	174.8	-71.9	168.2	0	0	0	112.6	Q86 V89 R90 S98 H100 G105 T106	Q86-L102 HydrophobicContact CB-CD2 3.65Å; Q86-L102 HydrophobicContact CG-CD2 3.87Å; Q86-L102 WeakPolarHBondContact O-CD2 3.38Å; V89-L102 HydrophobicContact CG1-CD2 4.39Å; V89-L102 HydrophobicContact CG1-CG 4.3Å; R90-L102 HydrophobicContact CG-CD1 3.61Å; R90-L102 HydrophobicContact CG-CD2 4.4Å; R90-L102 HydrophobicContact CG-CG 4.43Å; R90-L102 VanDerWaalsContact NE-CD1 3.29Å; S98-L102 WeakPolarHBondContact O-CB 3.42Å; S98-L102 WeakPolarHBondContact O-CD1 3.27Å; S98-L102 WeakPolarHBondContact O-CG 3.31Å; S98-L102 PolarHBondContact O-N 2.9Å; H100-L102 PolarHBondContact O-N 2.64Å; L102-G105 PolarHBondContact O-N 3.48Å; L102-T106 WeakPolarHBondContact O-CB 3.34Å; L102-T106 PolarHBondContact O-N 3.45Å; L102-T106 PolarHBondContact O-OG1 3.19Å
103	S	97.4	Very high	96.7	Very high	51 Å²	51	80 Å²	80	36%	0.357	45%	0.452	S	S	.	.	H	α-helix	trans	-62.4	-49.6	177.6	-171.7	0	0	0	0	110.8	K99 H100 G105 T106 K107	K99-S103 WeakPolarHBondContact O-CB 3.31Å; K99-S103 PolarHBondContact O-N 2.86Å; K99-S103 VanDerWaalsContact O-N 3.1Å; H100-S103 WeakPolarHBondContact O-CB 3.49Å; H100-S103 PolarHBondContact O-N 3.44Å; H100-S103 VanDerWaalsContact O-N 3.16Å; S103-G105 PolarHBondContact O-N 3.29Å; S103-T106 PolarHBondContact O-N 3.01Å; S103-K107 VanDerWaalsContact O-CG 3.29Å; S103-K107 WeakPolarHBondContact O-CG 3.27Å; S103-K107 PolarHBondContact O-N 3.43Å; S103-K107 WeakPolarHBondContact OG-CE 3.5Å
104	E	97.7	Very high	96.6	Very high	109 Å²	109	82.7 Å²	82.7	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177.7	-67.6	-52.8	126.9	0	0	112.1	H100 A101 T106 K107 A108	H100-E104 PolarHBondContact O-N 3.02Å; A101-E104 PolarHBondContact O-N 3.43Å; E104-T106 PolarHBondContact O-N 2.74Å; E104-K107 PolarHBondContact O-N 2.74Å; E104-K107 IonicContact OE1-NZ 2.74Å; E104-K107 PolarHBondContact OE1-NZ 2.67Å; E104-A108 WeakPolarHBondContact O-CB 3.24Å; E104-A108 PolarHBondContact O-N 2.77Å
105	G	97.4	Very high	96.5	Very high	34 Å²	34	82.6 Å²	82.6	35%	0.351	48%	0.481	S	S	.	.	H	α-helix	trans	-60.6	-44	175.1	0	0	0	0	0	112.9	A101 L102 S103 A108 M109	A101-G105 PolarHBondContact O-N 3.47Å; L102-G105 PolarHBondContact O-N 3.48Å; S103-G105 PolarHBondContact O-N 3.29Å; G105-A108 PolarHBondContact O-N 3.24Å; G105-M109 WeakPolarHBondContact O-CG 3.24Å; G105-M109 PolarHBondContact O-N 3Å
106	T	96.6	Very high	96.2	Very high	64 Å²	64	88.4 Å²	88.4	39%	0.393	50%	0.499	S	S	.	.	H	α-helix	trans	-67.2	-40.3	178.6	-54.3	0	0	0	0	111.8	L102 S103 E104 M109 S110	L102-T106 WeakPolarHBondContact O-CB 3.34Å; L102-T106 PolarHBondContact O-N 3.45Å; L102-T106 PolarHBondContact O-OG1 3.19Å; S103-T106 PolarHBondContact O-N 3.01Å; E104-T106 PolarHBondContact O-N 2.74Å; T106-M109 PolarHBondContact O-N 3.27Å; T106-S110 WeakPolarHBondContact O-CB 3.36Å; T106-S110 PolarHBondContact O-N 3.39Å; T106-S110 PolarHBondContact O-OG 3.37Å
107	K	97.2	Very high	96.3	Very high	100 Å²	100	90.6 Å²	90.6	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-60.7	-45.5	173.3	-71.9	172.9	-166.4	168.9	0	111.1	S103 E104 S110 K111	S103-K107 VanDerWaalsContact O-CG 3.29Å; S103-K107 WeakPolarHBondContact O-CG 3.27Å; S103-K107 PolarHBondContact O-N 3.43Å; S103-K107 WeakPolarHBondContact OG-CE 3.5Å; E104-K107 PolarHBondContact O-N 2.74Å; E104-K107 IonicContact OE1-NZ 2.74Å; E104-K107 PolarHBondContact OE1-NZ 2.67Å; K107-S110 PolarHBondContact O-N 3.49Å; K107-K111 WeakPolarHBondContact O-CG 3.4Å; K107-K111 PolarHBondContact O-N 2.86Å
108	A	97	Very high	96.3	Very high	60 Å²	60	89.7 Å²	89.7	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-45.1	178.6	0	0	0	0	0	111.7	E104 G105 K111 Y112	E104-A108 WeakPolarHBondContact O-CB 3.24Å; E104-A108 PolarHBondContact O-N 2.77Å; G105-A108 PolarHBondContact O-N 3.24Å; A108-K111 PolarHBondContact O-N 3.27Å; A108-Y112 WeakPolarHBondContact O-CB 3.21Å; A108-Y112 PolarHBondContact O-N 2.76Å
109	M	94.9	Very high	96.2	Very high	80 Å²	80	93.8 Å²	93.8	39%	0.394	52%	0.519	S	S	.	.	H	α-helix	trans	-59.7	-47.5	174.9	-75.6	-176.7	63.7	0	0	112.1	S82 G105 T106 K111 Y112 T113	S82-M109 VanDerWaalsContact CB-CE 3.48Å; S82-M109 VanDerWaalsContact CB-SD 3.6Å; S82-M109 WeakPolarHBondContact OG-CE 3.43Å; G105-M109 WeakPolarHBondContact O-CG 3.24Å; G105-M109 PolarHBondContact O-N 3Å; T106-M109 PolarHBondContact O-N 3.27Å; M109-K111 VanDerWaalsContact C-N 3.34Å; M109-K111 PolarHBondContact O-N 3.43Å; M109-Y112 PolarHBondContact O-N 2.97Å; M109-Y112 VanDerWaalsContact O-N 3.17Å; M109-T113 PolarHBondContact O-N 3.33Å; M109-T113 PolarHBondContact O-OG1 2.9Å
110	S	96	Very high	96.2	Very high	66 Å²	66	90.1 Å²	90.1	46%	0.462	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-42.6	-178.6	-55	0	0	0	0	111.7	T106 K107 S114	T106-S110 WeakPolarHBondContact O-CB 3.36Å; T106-S110 PolarHBondContact O-N 3.39Å; T106-S110 PolarHBondContact O-OG 3.37Å; K107-S110 PolarHBondContact O-N 3.49Å; S110-S114 WeakPolarHBondContact O-CB 3.45Å; S110-S114 PolarHBondContact O-N 2.95Å; S110-S114 PolarHBondContact O-OG 3.29Å
111	K	97.3	Very high	96.1	Very high	160 Å²	160	87.4 Å²	87.4	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-62.6	-42	174.7	-74.6	179.8	179.3	-177.8	0	112.1	K107 A108 M109 S114 A115	K107-K111 WeakPolarHBondContact O-CG 3.4Å; K107-K111 PolarHBondContact O-N 2.86Å; A108-K111 PolarHBondContact O-N 3.27Å; M109-K111 VanDerWaalsContact C-N 3.34Å; M109-K111 PolarHBondContact O-N 3.43Å; K111-S114 PolarHBondContact O-N 3.01Å; K111-A115 PolarHBondContact O-N 3.23Å
112	Y	96.6	Very high	96	Very high	159 Å²	159	90.7 Å²	90.7	62%	0.624	52%	0.516	S	S	*	.	H	α-helix	trans	-64	-48.5	178.3	-179.1	-99.3	0	0	0	111.5	A108 M109 S114 A115 L116	A108-Y112 WeakPolarHBondContact O-CB 3.21Å; A108-Y112 PolarHBondContact O-N 2.76Å; M109-Y112 PolarHBondContact O-N 2.97Å; M109-Y112 VanDerWaalsContact O-N 3.17Å; Y112-S114 VanDerWaalsContact C-N 3.27Å; Y112-S114 PolarHBondContact O-N 3.4Å; Y112-A115 PolarHBondContact O-N 3.12Å; Y112-A115 VanDerWaalsContact O-N 3.07Å; Y112-L116 HydrophobicContact CD1-CD1 4.43Å; Y112-L116 HydrophobicContact CE1-CD1 4.05Å; Y112-L116 HydrophobicContact CE1-CD2 4.46Å; Y112-L116 HydrophobicContact CE1-CG 4.41Å; Y112-L116 PolarHBondContact O-N 3.3Å
113	T	96	Very high	95.9	Very high	90 Å²	90	95.4 Å²	95.4	55%	0.552	54%	0.543	S	S	*	.	H	α-helix	trans	-62.8	-33.3	177.8	-57.4	0	0	0	0	112.5	M109 A115 L116	M109-T113 PolarHBondContact O-N 3.33Å; M109-T113 PolarHBondContact O-OG1 2.9Å; T113-A115 PolarHBondContact O-N 2.84Å; T113-L116 PolarHBondContact O-N 2.97Å
114	S	96	Very high	95.7	Very high	103 Å²	103	98.8 Å²	98.8	72%	0.72	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-12.9	176.8	-53	0	0	0	0	113.8	S110 K111 Y112	S110-S114 WeakPolarHBondContact O-CB 3.45Å; S110-S114 PolarHBondContact O-N 2.95Å; S110-S114 PolarHBondContact O-OG 3.29Å; K111-S114 PolarHBondContact O-N 3.01Å; Y112-S114 VanDerWaalsContact C-N 3.27Å; Y112-S114 PolarHBondContact O-N 3.4Å
115	A	95.4	Very high	95.6	Very high	86 Å²	86	98 Å²	98	71%	0.711	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-0.3	179.3	0	0	0	0	0	113.2	K111 Y112 T113	K111-A115 PolarHBondContact O-N 3.23Å; Y112-A115 PolarHBondContact O-N 3.12Å; Y112-A115 VanDerWaalsContact O-N 3.07Å; T113-A115 PolarHBondContact O-N 2.84Å
116	L	86.5	Confident	95.4	Very high	174 Å²	174	103.8 Å²	103.8	91%	0.911	58%	0.581	S	S	*	*			trans	-85.5	0	170.1	-67.3	174.5	0	0	0	110.1	Y112 T113	Y112-L116 HydrophobicContact CD1-CD1 4.43Å; Y112-L116 HydrophobicContact CE1-CD1 4.05Å; Y112-L116 HydrophobicContact CE1-CD2 4.46Å; Y112-L116 HydrophobicContact CE1-CG 4.41Å; Y112-L116 PolarHBondContact O-N 3.3Å; T113-L116 PolarHBondContact O-N 2.97Å

Retrieved 116 of 116 residues in 22 ms (Link to these results)

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