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Histone H4

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. Involved in recruitment of Parp1 to chromatin and regulates its activity; mediates nucleosome-dependent activation of Parp1¹.

AlphaFold DB , UniProt , Accession P84040, Species DROME (Drosophila melanogaster, Fruit fly), Gene His4/His4r/His4:CG31611/His4:CG33869/His4:CG33871/His4:CG33873/His4:CG33875/His4:CG33877/His4:CG33879/His4:CG33881/His4:CG33883/His4:CG33885/His4:CG33887/His4:CG33889/His4:CG33891/His4:CG33893/His4:CG33895/His4:CG33897/His4:CG33899/His4:CG33901/His4:CG33903/His4:CG33905/His4:CG33907/His4:CG33909, Length 103 aa.

						>H4_DROME|P84040|His4/His4r/His4:CG31611/His4:CG33869/His4:CG33871/His4:CG33873/His4:CG33875/His4:CG33877/His4:CG33879/His4:CG33881/His4:CG33883/His4:CG33885/His4:CG33887/His4:CG33889/His4:CG33891/His4:CG33893/His4:CG33895/His4:CG33897/His4:CG33899/His4:CG33901/His4:CG33903/His4:CG33905/His4:CG33907/His4:CG33909
MTGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
					

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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	59.1	Low	60.1	Low	239 Å²	239	144.4 Å²	144.4	100%	1.177	86%	0.862	S	S	*	*				0	107.8	0	-103.7	178.9	159.9	0	0	108.6
2	T	53.6	Low	60.3	Low	144 Å²	144	137.9 Å²	137.9	88%	0.883	85%	0.848	S	S	*	*			trans	-170.7	88.5	154	38.7	0	0	0	0	108.7	R4	T2-R4 PolarHBondContact O-N 2.97Å; T2-R4 VanDerWaalsContact O-N 3.12Å
3	G	58.1	Low	60.8	Low	84 Å²	84	143.2 Å²	143.2	87%	0.866	85%	0.852	S	S	*	*			trans	-70.8	100.3	170.1	0	0	0	0	0	109.6	G5	G3-G5 PolarHBondContact O-N 3.46Å; G3-G5 VanDerWaalsContact O-N 3.16Å
4	R	66.9	Low	61.1	Low	252 Å²	252	138.2 Å²	138.2	95%	0.951	85%	0.845	S	S	*	*			trans	-79.8	98.5	175.9	-160.3	165.7	177.5	118.5	-4.8	108.2	T2	T2-R4 PolarHBondContact O-N 2.97Å; T2-R4 VanDerWaalsContact O-N 3.12Å
5	G	60.5	Low	61.6	Low	68 Å²	68	133.8 Å²	133.8	70%	0.701	84%	0.838	S	S	*	*			trans	-55.2	141.2	-174.1	0	0	0	0	0	113.8	G3 G7	G3-G5 PolarHBondContact O-N 3.46Å; G3-G5 VanDerWaalsContact O-N 3.16Å; G5-G7 PolarHBondContact O-N 3.36Å
6	K	60.1	Low	62.4	Low	215 Å²	215	131.1 Å²	131.1	94%	0.935	83%	0.833	S	S	*	*			trans	-54.5	101.5	171.2	-85.2	174.6	171.1	173	0	109.6	G8	K6-G8 VanDerWaalsContact C-N 3.31Å; K6-G8 PolarHBondContact O-N 3.19Å
7	G	59.2	Low	62.9	Low	75 Å²	75	134.6 Å²	134.6	77%	0.773	83%	0.833	S	S	*	*			trans	-64.8	94.6	163.9	0	0	0	0	0	108.4	G5 K9	G5-G7 PolarHBondContact O-N 3.36Å; G7-K9 PolarHBondContact O-N 2.97Å
8	G	59.5	Low	63.4	Low	71 Å²	71	140.6 Å²	140.6	73%	0.732	84%	0.837	S	S	*	*			trans	-56.5	109.5	168.9	0	0	0	0	0	107.6	K6 G10	K6-G8 VanDerWaalsContact C-N 3.31Å; K6-G8 PolarHBondContact O-N 3.19Å; G8-G10 PolarHBondContact O-N 3.42Å
9	K	63.3	Low	64.1	Low	203 Å²	203	142.3 Å²	142.3	88%	0.883	84%	0.835	S	S	*	*			trans	-63.6	91.8	174.2	-152.5	174.6	-172	178.3	0	105.6	G7 L11	G7-K9 PolarHBondContact O-N 2.97Å; K9-L11 PolarHBondContact O-N 3.2Å
10	G	60	Low	64.4	Low	68 Å²	68	147 Å²	147	70%	0.701	84%	0.838	S	S	*	*			trans	-52.3	109.4	-176.6	0	0	0	0	0	108	G8 G12	G8-G10 PolarHBondContact O-N 3.42Å; G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.33Å
11	L	60.5	Low	65	Low	169 Å²	169	148.2 Å²	148.2	89%	0.885	83%	0.834	S	S	*	*			trans	-55.8	103.8	172.2	-65.4	169	0	0	0	105.2	K9 K13	K9-L11 PolarHBondContact O-N 3.2Å; L11-K13 PolarHBondContact O-N 3.02Å; L11-K13 VanDerWaalsContact O-N 3.16Å
12	G	62.8	Low	66	Low	67 Å²	67	141.2 Å²	141.2	69%	0.691	80%	0.804	S	S	*	*			trans	-48.8	127.3	-178.1	0	0	0	0	0	107.8	G10 G14	G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.33Å; G12-G14 PolarHBondContact O-N 2.69Å
13	K	66.5	Low	67.5	Low	207 Å²	207	142.5 Å²	142.5	90%	0.9	81%	0.805	S	S	*	*			trans	-40.8	106.3	-177	-71.8	178.9	176.9	178	0	108.2	L11 G15	L11-K13 PolarHBondContact O-N 3.02Å; L11-K13 VanDerWaalsContact O-N 3.16Å; K13-G15 PolarHBondContact O-N 2.71Å
14	G	64.8	Low	68.8	Low	73 Å²	73	147.2 Å²	147.2	75%	0.753	80%	0.796	S	S	*	*			trans	-52.1	112	-174.9	0	0	0	0	0	107.7	G12 A16	G12-G14 PolarHBondContact O-N 2.69Å; G14-A16 PolarHBondContact O-N 3Å
15	G	69.7	Low	69.9	Low	72 Å²	72	141.7 Å²	141.7	74%	0.742	79%	0.786	S	S	*	*			trans	-52.9	122.2	-177.7	0	0	0	0	0	107.9	K13 K17	K13-G15 PolarHBondContact O-N 2.71Å; G15-K17 PolarHBondContact O-N 3.39Å
16	A	73.6	Confident	71.4	Confident	91 Å²	91	143.6 Å²	143.6	75%	0.752	78%	0.78	S	S	*	*			trans	-48.1	120.6	-177.2	0	0	0	0	0	108.9	G14 R18	G14-A16 PolarHBondContact O-N 3Å; A16-R18 PolarHBondContact O-N 3.16Å
17	K	70.7	Confident	73.1	Confident	191 Å²	191	135.1 Å²	135.1	83%	0.83	74%	0.744	S	S	*	*			trans	-61.7	97.8	-177.1	-157.5	175.7	-171.4	177.4	0	107.4	G15 H19	G15-K17 PolarHBondContact O-N 3.39Å; K17-H19 PolarHBondContact O-N 3.32Å; K17-H19 VanDerWaalsContact O-N 3.1Å
18	R	72.2	Confident	74.8	Confident	242 Å²	242	136.7 Å²	136.7	91%	0.913	73%	0.731	S	S	*	*			trans	-68.6	110.4	177.8	-86.4	-175.9	175.1	178.9	-0.8	107.7	A16 R20	A16-R18 PolarHBondContact O-N 3.16Å; R18-R20 PolarHBondContact O-N 2.89Å
19	H	76	Confident	76.6	Confident	172 Å²	172	136 Å²	136	80%	0.796	73%	0.725	S	S	*	*			trans	-60.5	120.6	167.3	-68.9	-89.8	0	0	0	108	K17 K21	K17-H19 PolarHBondContact O-N 3.32Å; K17-H19 VanDerWaalsContact O-N 3.1Å; H19-K21 PolarHBondContact O-N 3.43Å
20	R	71.4	Confident	78.2	Confident	237 Å²	237	129.3 Å²	129.3	89%	0.894	70%	0.698	S	S	*	*			trans	-57	113.4	174.9	-171.7	175	84.2	168.9	4.8	107.4	R18 V22	R18-R20 PolarHBondContact O-N 2.89Å; R20-V22 PolarHBondContact O-N 2.91Å; R20-V22 VanDerWaalsContact O-N 3.14Å
21	K	77.2	Confident	80	Confident	173 Å²	173	128.9 Å²	128.9	75%	0.752	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-64.1	119.5	178.2	-164.8	175.7	-176.4	-179.3	0	107.6	H19 L23	H19-K21 PolarHBondContact O-N 3.43Å; K21-L23 PolarHBondContact O-N 3.25Å
22	V	79.7	Confident	81.8	Confident	91 Å²	91	126.2 Å²	126.2	55%	0.552	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-67.2	123.5	170.9	-179.8	0	0	0	0	107	R20 R24	R20-V22 PolarHBondContact O-N 2.91Å; R20-V22 VanDerWaalsContact O-N 3.14Å; V22-R24 HydrophobicContact CG1-CG 4.1Å; V22-R24 PolarHBondContact O-N 3.11Å
23	L	84	Confident	83.4	Confident	171 Å²	171	126.3 Å²	126.3	90%	0.895	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-66.7	119.8	173.8	-62.3	178.8	0	0	0	107.7	K21	K21-L23 PolarHBondContact O-N 3.25Å
24	R	87	Confident	84.9	Confident	184 Å²	184	117.6 Å²	117.6	69%	0.694	62%	0.618	S	S	*	*			trans	-131.2	146.8	176.1	-62.5	-177.5	-176.3	-175.6	-0.1	107.3	V22 N26	V22-R24 HydrophobicContact CG1-CG 4.1Å; V22-R24 PolarHBondContact O-N 3.11Å; R24-N26 PolarHBondContact O-N 3.43Å; R24-N26 PolarHBondContact O-ND2 3.36Å
25	D	89.6	Confident	86.5	Confident	136 Å²	136	114.4 Å²	114.4	73%	0.727	58%	0.584	S	S	*	*			trans	-64.8	125.2	165.9	-174.4	11.9	0	0	0	108.7	I27	D25-I27 WeakPolarHBondContact OD1-CB 3.34Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.34Å; D25-I27 PolarHBondContact OD1-N 3.23Å; D25-I27 WeakPolarHBondContact OD2-CG2 3.44Å
26	N	92.1	Very high	87.9	Confident	107 Å²	107	115.7 Å²	115.7	57%	0.572	57%	0.566	S	S	*	*			trans	-118.2	13.1	-177.5	-62.5	-63.7	0	0	0	111.6	R24 Q28 G29	R24-N26 PolarHBondContact O-N 3.43Å; R24-N26 PolarHBondContact O-ND2 3.36Å; N26-Q28 PolarHBondContact O-N 2.93Å; N26-Q28 VanDerWaalsContact O-N 3.17Å; N26-G29 WeakPolarHBondContact O-CA 3.25Å; N26-G29 PolarHBondContact O-N 3.47Å
27	I	95.2	Very high	89	Confident	38 Å²	38	119 Å²	119	20%	0.195	56%	0.559	C	S	.	*	G	3₁₀ helix	trans	-59.4	-32.8	-173.2	-163.9	55.2	0	0	0	112.6	D25 G29 I30 R56 K60	D25-I27 WeakPolarHBondContact OD1-CB 3.34Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.34Å; D25-I27 PolarHBondContact OD1-N 3.23Å; D25-I27 WeakPolarHBondContact OD2-CG2 3.44Å; I27-G29 PolarHBondContact O-N 3.02Å; I27-I30 PolarHBondContact O-N 2.91Å; I27-I30 VanDerWaalsContact O-N 3.16Å; I27-R56 HydrophobicContact CD1-CB 3.83Å; I27-R56 HydrophobicContact CD1-CG 4.22Å; I27-R56 HydrophobicContact CG1-CB 3.75Å; I27-R56 HydrophobicContact CG1-CG 4.11Å; I27-K60 HydrophobicContact CD1-CB 4.46Å
28	Q	95.7	Very high	90.3	Very high	107 Å²	107	115.1 Å²	115.1	50%	0.5	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.1	175	-63.8	-58.3	-31	0	0	113.9	N26 I30	N26-Q28 PolarHBondContact O-N 2.93Å; N26-Q28 VanDerWaalsContact O-N 3.17Å; Q28-I30 CarbonylContact O-C 3.58Å; Q28-I30 PolarHBondContact O-N 3.26Å
29	G	95.7	Very high	91.5	Very high	57 Å²	57	104.5 Å²	104.5	59%	0.588	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-62	-22	169.1	0	0	0	0	0	112.8	N26 I27 T31	N26-G29 WeakPolarHBondContact O-CA 3.25Å; N26-G29 PolarHBondContact O-N 3.47Å; I27-G29 PolarHBondContact O-N 3.02Å; G29-T31 VanDerWaalsContact C-N 3.32Å; G29-T31 PolarHBondContact O-N 2.65Å; G29-T31 VanDerWaalsContact O-N 3.08Å
30	I	97	Very high	92.5	Very high	63 Å²	63	102.1 Å²	102.1	32%	0.323	50%	0.495	S	S	.	.	S	Bend	trans	-80	87.6	164	-51.3	-59.7	0	0	0	107.7	I27 Q28 I35 R56 L59	I27-I30 PolarHBondContact O-N 2.91Å; I27-I30 VanDerWaalsContact O-N 3.16Å; Q28-I30 CarbonylContact O-C 3.58Å; Q28-I30 PolarHBondContact O-N 3.26Å; I30-I35 HydrophobicContact CG2-CD1 4.13Å; I30-I35 HydrophobicContact CG2-CG1 3.86Å; I30-R56 HydrophobicContact CB-CG 4.32Å; I30-R56 HydrophobicContact CG2-CG 4.5Å; I30-R56 PolarHBondContact O-NE 3.22Å; I30-R56 PolarHBondContact O-NH2 3.37Å; I30-L59 HydrophobicContact CD1-CD2 3.89Å; I30-L59 HydrophobicContact CG1-CD2 3.64Å; I30-L59 HydrophobicContact CG2-CD2 4.5Å
31	T	98.1	Very high	93.8	Very high	59 Å²	59	101 Å²	101	36%	0.362	49%	0.49	S	S	.	.			trans	-75	155.3	-170.3	65.3	0	0	0	0	112.5	G29 P33 A34 I35	G29-T31 VanDerWaalsContact C-N 3.32Å; G29-T31 PolarHBondContact O-N 2.65Å; G29-T31 VanDerWaalsContact O-N 3.08Å; T31-P33 VanDerWaalsContact C-N 3.31Å; T31-A34 WeakPolarHBondContact O-CB 3.41Å; T31-A34 PolarHBondContact O-N 3.13Å; T31-A34 PolarHBondContact OG1-N 2.89Å; T31-I35 PolarHBondContact O-N 3.38Å; T31-I35 VanDerWaalsContact O-N 3.11Å
32	K	97.9	Very high	94.8	Very high	112 Å²	112	95.8 Å²	95.8	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-52.5	-41.5	174.8	-62.8	-178.5	177.9	176.8	0	112.8	A34 I35 R36 Y52	K32-A34 PolarHBondContact O-N 3.38Å; K32-I35 PolarHBondContact O-N 3.38Å; K32-R36 WeakPolarHBondContact O-CB 3.14Å; K32-R36 PolarHBondContact O-N 3.11Å; K32-Y52 HydrophobicContact CB-CD1 3.95Å; K32-Y52 HydrophobicContact CB-CE1 3.96Å; K32-Y52 HydrophobicContact CD-CD2 4.31Å; K32-Y52 HydrophobicContact CD-CE2 4.49Å; K32-Y52 HydrophobicContact CD-CG 4.35Å; K32-Y52 HydrophobicContact CG-CD1 3.82Å; K32-Y52 HydrophobicContact CG-CD2 4.41Å; K32-Y52 HydrophobicContact CG-CE1 4.2Å; K32-Y52 HydrophobicContact CG-CG 3.94Å
33	P	98.1	Very high	95.6	Very high	70 Å²	70	94.5 Å²	94.5	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-38.7	172.9	-26.1	36.4	0	0	0	114	T31 R36 R37	T31-P33 VanDerWaalsContact C-N 3.31Å; P33-R36 PolarHBondContact O-N 3.46Å; P33-R37 WeakPolarHBondContact O-CG 3.46Å; P33-R37 PolarHBondContact O-N 2.97Å
34	A	98.2	Very high	96.3	Very high	24 Å²	24	89.3 Å²	89.3	20%	0.198	47%	0.466	C	S	.	.	H	α-helix	trans	-63.6	-46.7	177.6	0	0	0	0	0	111.6	T31 K32 R36 R37 L38	T31-A34 WeakPolarHBondContact O-CB 3.41Å; T31-A34 PolarHBondContact O-N 3.13Å; T31-A34 PolarHBondContact OG1-N 2.89Å; K32-A34 PolarHBondContact O-N 3.38Å; A34-R36 VanDerWaalsContact C-N 3.33Å; A34-R36 PolarHBondContact O-N 3.5Å; A34-R37 PolarHBondContact O-N 3.4Å; A34-L38 PolarHBondContact O-N 2.88Å; A34-L38 VanDerWaalsContact O-N 3.11Å
35	I	98.3	Very high	96.8	Very high	5 Å²	5	88.9 Å²	88.9	3%	0.026	47%	0.47	C	S	.	.	H	α-helix	trans	-61	-44.2	175.4	-61.6	171.2	0	0	0	110.3	I30 T31 K32 R37 L38 A39 I51 Y52 T55 R56	I30-I35 HydrophobicContact CG2-CD1 4.13Å; I30-I35 HydrophobicContact CG2-CG1 3.86Å; T31-I35 PolarHBondContact O-N 3.38Å; T31-I35 VanDerWaalsContact O-N 3.11Å; K32-I35 PolarHBondContact O-N 3.38Å; I35-R37 PolarHBondContact O-N 3.47Å; I35-L38 PolarHBondContact O-N 3.18Å; I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 2.92Å; I35-I51 HydrophobicContact CG2-CG2 4.45Å; I35-Y52 HydrophobicContact CB-CD1 4.31Å; I35-Y52 HydrophobicContact CD1-CD1 4.28Å; I35-Y52 WeakPolarHBondContact CD1-O 3.29Å; I35-Y52 HydrophobicContact CG2-CD1 4.18Å; I35-T55 HydrophobicContact CD1-CG2 4.29Å; I35-T55 HydrophobicContact CG1-CG2 4.15Å; I35-T55 HydrophobicContact CG2-CG2 4.19Å; I35-R56 HydrophobicContact CD1-CG 4.39Å
36	R	97.8	Very high	97.1	Very high	100 Å²	100	92.9 Å²	92.9	38%	0.377	48%	0.475	S	S	.	.	H	α-helix	trans	-59.1	-45.4	176.6	-168.9	-174.7	-50.9	-66.9	-4.2	111.5	K32 P33 A34 L38 A39 R40 I47 Y52	K32-R36 WeakPolarHBondContact O-CB 3.14Å; K32-R36 PolarHBondContact O-N 3.11Å; P33-R36 PolarHBondContact O-N 3.46Å; A34-R36 VanDerWaalsContact C-N 3.33Å; A34-R36 PolarHBondContact O-N 3.5Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.01Å; R36-A39 PolarHBondContact O-N 3.11Å; R36-R40 HydrophobicContact CG-CG 4.36Å; R36-R40 VanDerWaalsContact O-CG 3.29Å; R36-R40 WeakPolarHBondContact O-CG 3.37Å; R36-R40 PolarHBondContact O-N 3.27Å; R36-I47 HydrophobicContact CG-CD1 4.03Å; R36-Y52 PolarHBondContact NH1-OH 3.36Å; R36-Y52 PolarHBondContact NH2-OH 2.93Å
37	R	97.9	Very high	97.3	Very high	160 Å²	160	89.5 Å²	89.5	60%	0.604	46%	0.456	S	S	*	.	H	α-helix	trans	-59.9	-42.1	178	-74.3	-171.4	-57.8	-93.8	5	111.9	P33 A34 I35 R41	P33-R37 WeakPolarHBondContact O-CG 3.46Å; P33-R37 PolarHBondContact O-N 2.97Å; A34-R37 PolarHBondContact O-N 3.4Å; I35-R37 PolarHBondContact O-N 3.47Å; R37-R41 WeakPolarHBondContact O-CB 3.2Å; R37-R41 PolarHBondContact O-N 3.12Å
38	L	97	Very high	97.4	Very high	110 Å²	110	91 Å²	91	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-48.6	175.5	-71.4	174.4	0	0	0	111.9	A34 I35 R36 R40 R41 G42	A34-L38 PolarHBondContact O-N 2.88Å; A34-L38 VanDerWaalsContact O-N 3.11Å; I35-L38 PolarHBondContact O-N 3.18Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.01Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.44Å; L38-R41 WeakPolarHBondContact O-CB 3.2Å; L38-R41 PolarHBondContact O-N 2.97Å; L38-R41 VanDerWaalsContact O-N 3.16Å; L38-G42 PolarHBondContact O-N 3.29Å
39	A	97.4	Very high	97.4	Very high	18 Å²	18	88.7 Å²	88.7	15%	0.149	48%	0.475	C	S	.	.	H	α-helix	trans	-59.5	-42.8	178.4	0	0	0	0	0	112	I35 R36 G42 G43 V44 I47	I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 2.92Å; R36-A39 PolarHBondContact O-N 3.11Å; A39-G42 CarbonylContact O-C 2.94Å; A39-G42 PolarHBondContact O-N 3.35Å; A39-G43 PolarHBondContact O-N 2.89Å; A39-V44 HydrophobicContact CB-CB 4.06Å; A39-V44 HydrophobicContact CB-CG2 4.19Å; A39-V44 VanDerWaalsContact O-CB 3.25Å; A39-V44 WeakPolarHBondContact O-CB 3.33Å; A39-V44 WeakPolarHBondContact O-CG2 3.38Å; A39-V44 PolarHBondContact O-N 3.02Å; A39-I47 HydrophobicContact CB-CD1 3.63Å; A39-I47 HydrophobicContact CB-CG1 4.2Å
40	R	97.9	Very high	97.4	Very high	123 Å²	123	92.4 Å²	92.4	46%	0.464	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-39.8	175.5	-64.9	-45.2	-177	178.8	3.3	112.4	R36 L38 G42 G43 V44 K45	R36-R40 HydrophobicContact CG-CG 4.36Å; R36-R40 VanDerWaalsContact O-CG 3.29Å; R36-R40 WeakPolarHBondContact O-CG 3.37Å; R36-R40 PolarHBondContact O-N 3.27Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.44Å; R40-G42 PolarHBondContact O-N 2.88Å; R40-G43 PolarHBondContact O-N 3.16Å; R40-V44 WeakPolarHBondContact CD-O 3.47Å; R40-V44 PolarHBondContact NH1-O 3.08Å; R40-K45 VanDerWaalsContact NH1-CA 3.33Å; R40-K45 PolarHBondContact NH1-O 2.93Å
41	R	97.9	Very high	97.4	Very high	212 Å²	212	92.1 Å²	92.1	80%	0.8	48%	0.479	S	S	*	.	H	α-helix	trans	-60.5	-34.3	173.5	-175.5	179.9	-66.2	175.5	-3.1	111.8	R37 L38 G43	R37-R41 WeakPolarHBondContact O-CB 3.2Å; R37-R41 PolarHBondContact O-N 3.12Å; L38-R41 WeakPolarHBondContact O-CB 3.2Å; L38-R41 PolarHBondContact O-N 2.97Å; L38-R41 VanDerWaalsContact O-N 3.16Å; R41-G43 VanDerWaalsContact C-N 3.26Å; R41-G43 PolarHBondContact O-N 3.18Å
42	G	97.4	Very high	97.4	Very high	65 Å²	65	90.6 Å²	90.6	67%	0.67	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	8.1	173.4	0	0	0	0	0	115.4	L38 A39 R40 V44	L38-G42 PolarHBondContact O-N 3.29Å; A39-G42 CarbonylContact O-C 2.94Å; A39-G42 PolarHBondContact O-N 3.35Å; R40-G42 PolarHBondContact O-N 2.88Å; G42-V44 VanDerWaalsContact C-N 3.35Å; G42-V44 PolarHBondContact O-N 2.67Å
43	G	98	Very high	97.4	Very high	64 Å²	64	90.1 Å²	90.1	66%	0.66	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	8.5	178.1	0	0	0	0	0	115.5	A39 R40 R41 K45	A39-G43 PolarHBondContact O-N 2.89Å; R40-G43 PolarHBondContact O-N 3.16Å; R41-G43 VanDerWaalsContact C-N 3.26Å; R41-G43 PolarHBondContact O-N 3.18Å; G43-K45 PolarHBondContact O-N 3.26Å
44	V	97.7	Very high	97.3	Very high	61 Å²	61	92.4 Å²	92.4	37%	0.37	47%	0.471	S	S	.	.			trans	-68.5	117.4	-179.9	-179.4	0	0	0	0	110	A39 R40 G42 R46 I47	A39-V44 HydrophobicContact CB-CB 4.06Å; A39-V44 HydrophobicContact CB-CG2 4.19Å; A39-V44 VanDerWaalsContact O-CB 3.25Å; A39-V44 WeakPolarHBondContact O-CB 3.33Å; A39-V44 WeakPolarHBondContact O-CG2 3.38Å; A39-V44 PolarHBondContact O-N 3.02Å; R40-V44 WeakPolarHBondContact CD-O 3.47Å; R40-V44 PolarHBondContact NH1-O 3.08Å; G42-V44 VanDerWaalsContact C-N 3.35Å; G42-V44 PolarHBondContact O-N 2.67Å; V44-R46 WeakPolarHBondContact CG1-O 3.4Å; V44-I47 HydrophobicContact CG1-CG1 3.79Å
45	K	97	Very high	97.3	Very high	176 Å²	176	93.5 Å²	93.5	77%	0.765	48%	0.475	S	S	*	.	S	Bend	trans	-86	-31.1	-179.1	-171.6	172.8	-179.2	176.4	0	114	R40 G43	R40-K45 VanDerWaalsContact NH1-CA 3.33Å; R40-K45 PolarHBondContact NH1-O 2.93Å; G43-K45 PolarHBondContact O-N 3.26Å
46	R	97.7	Very high	97.3	Very high	220 Å²	220	93.6 Å²	93.6	83%	0.83	48%	0.475	S	S	*	.			trans	-133.7	137.8	176.5	-65	-176.3	-178.2	-94.2	2.5	109.4	V44	V44-R46 WeakPolarHBondContact CG1-O 3.4Å
47	I	96.4	Very high	97.3	Very high	36 Å²	36	90.6 Å²	90.6	19%	0.185	48%	0.475	C	S	.	.			trans	-120.5	125.1	-176.4	-62	170.5	0	0	0	107.7	R36 A39 V44 I51 Y52	R36-I47 HydrophobicContact CG-CD1 4.03Å; A39-I47 HydrophobicContact CB-CD1 3.63Å; A39-I47 HydrophobicContact CB-CG1 4.2Å; V44-I47 HydrophobicContact CG1-CG1 3.79Å; I47-I51 HydrophobicContact CG2-CB 4.1Å; I47-I51 HydrophobicContact CG2-CG1 4.49Å; I47-I51 HydrophobicContact CG2-CG2 4.18Å; I47-Y52 HydrophobicContact CG2-CE1 4.48Å
48	S	96.3	Very high	97.3	Very high	70 Å²	70	87.5 Å²	87.5	49%	0.49	47%	0.474	S	S	.	.			trans	-72.1	153.1	172.6	174.8	0	0	0	0	111.3	L50 I51	S48-L50 VanDerWaalsContact C-N 3.28Å; S48-L50 PolarHBondContact O-N 3.46Å; S48-I51 PolarHBondContact O-N 3Å
49	G	95	Very high	97.3	Very high	57 Å²	57	85 Å²	85	59%	0.588	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.1	177.9	0	0	0	0	0	113.8	I51 Y52	G49-I51 VanDerWaalsContact C-N 3.28Å; G49-I51 PolarHBondContact O-N 3.28Å; G49-Y52 WeakPolarHBondContact O-CD2 3.47Å
50	L	96.4	Very high	97.3	Very high	136 Å²	136	89.6 Å²	89.6	71%	0.712	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23	-177.6	-62.9	177.3	0	0	0	113.3	S48 Y52 E53 E54	S48-L50 VanDerWaalsContact C-N 3.28Å; S48-L50 PolarHBondContact O-N 3.46Å; L50-Y52 PolarHBondContact O-N 2.98Å; L50-Y52 VanDerWaalsContact O-N 3.13Å; L50-E53 PolarHBondContact O-N 3.33Å; L50-E54 PolarHBondContact O-N 2.92Å; L50-E54 VanDerWaalsContact O-N 3.12Å
51	I	97.3	Very high	97.3	Very high	56 Å²	56	87.4 Å²	87.4	29%	0.287	48%	0.478	S	S	.	.	H	α-helix	trans	-59.8	-29.3	-176.8	-67.2	-48.6	0	0	0	112.8	I35 I47 S48 G49 E54 T55	I35-I51 HydrophobicContact CG2-CG2 4.45Å; I47-I51 HydrophobicContact CG2-CB 4.1Å; I47-I51 HydrophobicContact CG2-CG1 4.49Å; I47-I51 HydrophobicContact CG2-CG2 4.18Å; S48-I51 PolarHBondContact O-N 3Å; G49-I51 VanDerWaalsContact C-N 3.28Å; G49-I51 PolarHBondContact O-N 3.28Å; I51-E54 WeakPolarHBondContact CD1-OE2 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.41Å; I51-T55 PolarHBondContact O-N 3.34Å; I51-T55 PolarHBondContact O-OG1 3.49Å
52	Y	97.5	Very high	97.2	Very high	27 Å²	27	81.5 Å²	81.5	11%	0.106	46%	0.458	C	S	.	.	H	α-helix	trans	-66.2	-43.3	-177.7	-56	-65.9	0	0	0	112.5	K32 I35 R36 I47 G49 L50 R56	K32-Y52 HydrophobicContact CB-CD1 3.95Å; K32-Y52 HydrophobicContact CB-CE1 3.96Å; K32-Y52 HydrophobicContact CD-CD2 4.31Å; K32-Y52 HydrophobicContact CD-CE2 4.49Å; K32-Y52 HydrophobicContact CD-CG 4.35Å; K32-Y52 HydrophobicContact CG-CD1 3.82Å; K32-Y52 HydrophobicContact CG-CD2 4.41Å; K32-Y52 HydrophobicContact CG-CE1 4.2Å; K32-Y52 HydrophobicContact CG-CG 3.94Å; I35-Y52 HydrophobicContact CB-CD1 4.31Å; I35-Y52 HydrophobicContact CD1-CD1 4.28Å; I35-Y52 WeakPolarHBondContact CD1-O 3.29Å; I35-Y52 HydrophobicContact CG2-CD1 4.18Å; R36-Y52 PolarHBondContact NH1-OH 3.36Å; R36-Y52 PolarHBondContact NH2-OH 2.93Å; I47-Y52 HydrophobicContact CG2-CE1 4.48Å; G49-Y52 WeakPolarHBondContact O-CD2 3.47Å; L50-Y52 PolarHBondContact O-N 2.98Å; L50-Y52 VanDerWaalsContact O-N 3.13Å; Y52-R56 WeakPolarHBondContact O-CG 3.4Å
53	E	97.1	Very high	97.2	Very high	103 Å²	103	82.2 Å²	82.2	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-79.2	-37.7	177.6	-58.2	-49.8	147.8	0	0	111.3	L50 T55 R56 G57	L50-E53 PolarHBondContact O-N 3.33Å; E53-T55 PolarHBondContact O-N 3.1Å; E53-R56 WeakPolarHBondContact O-CB 3.39Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 IonicContact OE1-CZ 3.93Å; E53-R56 IonicContact OE1-NH1 2.67Å; E53-R56 PolarHBondContact OE1-NH1 2.99Å; E53-R56 IonicContact OE2-CZ 3.94Å; E53-R56 IonicContact OE2-NH1 2.88Å; E53-R56 PolarHBondContact OE2-NH1 2.96Å; E53-G57 PolarHBondContact O-N 3.48Å
54	E	97.6	Very high	97.1	Very high	117 Å²	117	83.1 Å²	83.1	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-60	-45.6	176.3	-173.7	174.1	-167.4	0	0	112	L50 I51 R56 G57 V58	L50-E54 PolarHBondContact O-N 2.92Å; L50-E54 VanDerWaalsContact O-N 3.12Å; I51-E54 WeakPolarHBondContact CD1-OE2 3.28Å; E54-R56 PolarHBondContact O-N 3.43Å; E54-G57 PolarHBondContact O-N 3.34Å; E54-G57 VanDerWaalsContact O-N 3.11Å; E54-V58 WeakPolarHBondContact O-CG2 3.47Å; E54-V58 PolarHBondContact O-N 3.46Å
55	T	98.1	Very high	97.1	Very high	47 Å²	47	83.1 Å²	83.1	29%	0.288	43%	0.431	S	S	.	.	H	α-helix	trans	-59.3	-37.9	177.6	-58.7	0	0	0	0	111.7	I35 I51 E53 L59	I35-T55 HydrophobicContact CD1-CG2 4.29Å; I35-T55 HydrophobicContact CG1-CG2 4.15Å; I35-T55 HydrophobicContact CG2-CG2 4.19Å; I51-T55 WeakPolarHBondContact O-CB 3.41Å; I51-T55 PolarHBondContact O-N 3.34Å; I51-T55 PolarHBondContact O-OG1 3.49Å; E53-T55 PolarHBondContact O-N 3.1Å; T55-L59 WeakPolarHBondContact O-CB 3.44Å; T55-L59 PolarHBondContact O-N 3.33Å
56	R	98	Very high	97.1	Very high	7 Å²	7	75.3 Å²	75.3	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-68.2	-42.2	176.7	-75	178.2	-167.2	132.1	-14	111.7	I27 I30 I35 Y52 E53 E54 L59 K60	I27-R56 HydrophobicContact CD1-CB 3.83Å; I27-R56 HydrophobicContact CD1-CG 4.22Å; I27-R56 HydrophobicContact CG1-CB 3.75Å; I27-R56 HydrophobicContact CG1-CG 4.11Å; I30-R56 HydrophobicContact CB-CG 4.32Å; I30-R56 HydrophobicContact CG2-CG 4.5Å; I30-R56 PolarHBondContact O-NE 3.22Å; I30-R56 PolarHBondContact O-NH2 3.37Å; I35-R56 HydrophobicContact CD1-CG 4.39Å; Y52-R56 WeakPolarHBondContact O-CG 3.4Å; E53-R56 WeakPolarHBondContact O-CB 3.39Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 IonicContact OE1-CZ 3.93Å; E53-R56 IonicContact OE1-NH1 2.67Å; E53-R56 PolarHBondContact OE1-NH1 2.99Å; E53-R56 IonicContact OE2-CZ 3.94Å; E53-R56 IonicContact OE2-NH1 2.88Å; E53-R56 PolarHBondContact OE2-NH1 2.96Å; E54-R56 PolarHBondContact O-N 3.43Å; R56-L59 PolarHBondContact O-N 3.45Å; R56-K60 WeakPolarHBondContact O-CB 3.3Å; R56-K60 PolarHBondContact O-N 3.19Å
57	G	97.7	Very high	97.1	Very high	37 Å²	37	69.5 Å²	69.5	38%	0.381	38%	0.382	S	S	.	.	H	α-helix	trans	-57.9	-50	173.9	0	0	0	0	0	112	E53 E54 L59 K60 V61	E53-G57 PolarHBondContact O-N 3.48Å; E54-G57 PolarHBondContact O-N 3.34Å; E54-G57 VanDerWaalsContact O-N 3.11Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 2.99Å; G57-K60 PolarHBondContact O-N 2.94Å; G57-V61 WeakPolarHBondContact O-CG2 3.43Å; G57-V61 PolarHBondContact O-N 3.42Å
58	V	97.7	Very high	97.1	Very high	96 Å²	96	74.2 Å²	74.2	58%	0.582	40%	0.398	S	S	*	.	H	α-helix	trans	-59.4	-45.3	177.8	173.7	0	0	0	0	111.4	E54 K60 V61 F62	E54-V58 WeakPolarHBondContact O-CG2 3.47Å; E54-V58 PolarHBondContact O-N 3.46Å; V58-K60 VanDerWaalsContact C-N 3.33Å; V58-K60 PolarHBondContact O-N 3.45Å; V58-V61 PolarHBondContact O-N 3.45Å; V58-F62 WeakPolarHBondContact O-CB 3.31Å; V58-F62 PolarHBondContact O-N 3.38Å
59	L	97.4	Very high	97.2	Very high	58 Å²	58	71.8 Å²	71.8	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-42.9	177.5	178.5	65.5	0	0	0	111.9	I30 T55 R56 G57 F62 L63	I30-L59 HydrophobicContact CD1-CD2 3.89Å; I30-L59 HydrophobicContact CG1-CD2 3.64Å; I30-L59 HydrophobicContact CG2-CD2 4.5Å; T55-L59 WeakPolarHBondContact O-CB 3.44Å; T55-L59 PolarHBondContact O-N 3.33Å; R56-L59 PolarHBondContact O-N 3.45Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 2.99Å; L59-F62 PolarHBondContact O-N 2.96Å; L59-L63 HydrophobicContact CD1-CD1 4.04Å; L59-L63 HydrophobicContact CD1-CG 4.19Å; L59-L63 HydrophobicContact CG-CD1 4.05Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 2.84Å
60	K	96.8	Very high	97.3	Very high	114 Å²	114	69.3 Å²	69.3	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-51.7	178.6	179.2	175.5	173	-179.9	0	110.9	I27 R56 G57 V58 F62 L63 E64	I27-K60 HydrophobicContact CD1-CB 4.46Å; R56-K60 WeakPolarHBondContact O-CB 3.3Å; R56-K60 PolarHBondContact O-N 3.19Å; G57-K60 PolarHBondContact O-N 2.94Å; V58-K60 VanDerWaalsContact C-N 3.33Å; V58-K60 PolarHBondContact O-N 3.45Å; K60-F62 VanDerWaalsContact C-N 3.31Å; K60-F62 PolarHBondContact O-N 3.19Å; K60-L63 PolarHBondContact O-N 3.17Å; K60-E64 WeakPolarHBondContact CE-OE1 3.5Å; K60-E64 HydrophobicContact CG-CG 4.34Å; K60-E64 WeakPolarHBondContact CG-OE1 3.35Å; K60-E64 IonicContact NZ-OE1 2.75Å; K60-E64 WeakPolarHBondContact O-CB 3.35Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.31Å; K60-E64 PolarHBondContact O-N 3.3Å
61	V	97.3	Very high	97.4	Very high	77 Å²	77	65.1 Å²	65.1	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-42.7	179.2	173.2	0	0	0	0	111.3	G57 V58 E64 N65	G57-V61 WeakPolarHBondContact O-CG2 3.43Å; G57-V61 PolarHBondContact O-N 3.42Å; V58-V61 PolarHBondContact O-N 3.45Å; V61-E64 PolarHBondContact O-N 2.81Å; V61-N65 VanDerWaalsContact O-CG 3.28Å; V61-N65 PolarHBondContact O-N 3.02Å; V61-N65 VanDerWaalsContact O-N 3.08Å; V61-N65 PolarHBondContact O-ND2 2.95Å
62	F	97	Very high	97.4	Very high	88 Å²	88	66.3 Å²	66.3	39%	0.386	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-51.7	176.2	173.3	-102	0	0	0	111.6	V58 L59 K60 E64 N65 V66 L91	V58-F62 WeakPolarHBondContact O-CB 3.31Å; V58-F62 PolarHBondContact O-N 3.38Å; L59-F62 PolarHBondContact O-N 2.96Å; K60-F62 VanDerWaalsContact C-N 3.31Å; K60-F62 PolarHBondContact O-N 3.19Å; F62-E64 PolarHBondContact O-N 3.22Å; F62-N65 PolarHBondContact O-N 3.47Å; F62-V66 HydrophobicContact CD2-CG2 4.42Å; F62-V66 HydrophobicContact CE1-CG2 4.21Å; F62-V66 HydrophobicContact CE2-CG2 3.95Å; F62-V66 HydrophobicContact CZ-CG2 3.84Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 3.04Å; F62-V66 VanDerWaalsContact O-N 3.1Å; F62-L91 HydrophobicContact CZ-CD2 4.15Å
63	L	96.6	Very high	97.4	Very high	80 Å²	80	68.9 Å²	68.9	42%	0.419	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-40.2	-179.8	-70.5	174.8	0	0	0	112.2	L59 K60 N65 V66 I67	L59-L63 HydrophobicContact CD1-CD1 4.04Å; L59-L63 HydrophobicContact CD1-CG 4.19Å; L59-L63 HydrophobicContact CG-CD1 4.05Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 2.84Å; K60-L63 PolarHBondContact O-N 3.17Å; L63-N65 VanDerWaalsContact C-N 3.31Å; L63-N65 PolarHBondContact O-N 3.38Å; L63-V66 PolarHBondContact O-N 2.99Å; L63-I67 HydrophobicContact CB-CD1 4.35Å; L63-I67 VanDerWaalsContact O-CB 3.26Å; L63-I67 WeakPolarHBondContact O-CB 3.39Å; L63-I67 WeakPolarHBondContact O-CD1 3.37Å; L63-I67 WeakPolarHBondContact O-CG1 3.42Å; L63-I67 PolarHBondContact O-N 3.37Å
64	E	96.8	Very high	97.4	Very high	83 Å²	83	64.3 Å²	64.3	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-43.5	176.4	-76.8	173.6	172.1	0	0	111.8	K60 V61 F62 R68	K60-E64 WeakPolarHBondContact CE-OE1 3.5Å; K60-E64 HydrophobicContact CG-CG 4.34Å; K60-E64 WeakPolarHBondContact CG-OE1 3.35Å; K60-E64 IonicContact NZ-OE1 2.75Å; K60-E64 WeakPolarHBondContact O-CB 3.35Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.31Å; K60-E64 PolarHBondContact O-N 3.3Å; V61-E64 PolarHBondContact O-N 2.81Å; F62-E64 PolarHBondContact O-N 3.22Å; E64-R68 VanDerWaalsContact O-CB 3.27Å; E64-R68 WeakPolarHBondContact O-CB 3.43Å; E64-R68 PolarHBondContact O-N 2.84Å
65	N	97	Very high	97.4	Very high	60 Å²	60	65 Å²	65	32%	0.321	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-46.5	178.4	-69.2	-24	0	0	0	112.1	V61 F62 L63 R68 D69 Q94	V61-N65 VanDerWaalsContact O-CG 3.28Å; V61-N65 PolarHBondContact O-N 3.02Å; V61-N65 VanDerWaalsContact O-N 3.08Å; V61-N65 PolarHBondContact O-ND2 2.95Å; F62-N65 PolarHBondContact O-N 3.47Å; L63-N65 VanDerWaalsContact C-N 3.31Å; L63-N65 PolarHBondContact O-N 3.38Å; N65-R68 PolarHBondContact O-N 2.76Å; N65-R68 PolarHBondContact OD1-NH1 2.86Å; N65-D69 PolarHBondContact O-N 3.28Å; N65-Q94 PolarHBondContact O-NE2 2.77Å
66	V	97.3	Very high	97.4	Very high	12 Å²	12	70.5 Å²	70.5	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-42.9	177.8	175.7	0	0	0	0	111.3	F62 L63 D69 A70 V87 A90 L91	F62-V66 HydrophobicContact CD2-CG2 4.42Å; F62-V66 HydrophobicContact CE1-CG2 4.21Å; F62-V66 HydrophobicContact CE2-CG2 3.95Å; F62-V66 HydrophobicContact CZ-CG2 3.84Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 3.04Å; F62-V66 VanDerWaalsContact O-N 3.1Å; L63-V66 PolarHBondContact O-N 2.99Å; V66-D69 PolarHBondContact O-N 3.49Å; V66-A70 WeakPolarHBondContact O-CB 3.43Å; V66-A70 PolarHBondContact O-N 2.84Å; V66-V87 HydrophobicContact CG1-CG1 4.36Å; V66-A90 HydrophobicContact CG1-CB 4.31Å; V66-L91 HydrophobicContact CG1-CD2 4.06Å; V66-L91 HydrophobicContact CG1-CG 4.27Å; V66-L91 HydrophobicContact CG2-CD2 3.82Å
67	I	97.3	Very high	97.3	Very high	98 Å²	98	72.4 Å²	72.4	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-40.9	179.6	-69	166	0	0	0	110.7	L63 D69 A70 V71	L63-I67 HydrophobicContact CB-CD1 4.35Å; L63-I67 VanDerWaalsContact O-CB 3.26Å; L63-I67 WeakPolarHBondContact O-CB 3.39Å; L63-I67 WeakPolarHBondContact O-CD1 3.37Å; L63-I67 WeakPolarHBondContact O-CG1 3.42Å; L63-I67 PolarHBondContact O-N 3.37Å; I67-D69 PolarHBondContact O-N 3.21Å; I67-A70 PolarHBondContact O-N 2.93Å; I67-V71 HydrophobicContact CG2-CG2 4.09Å; I67-V71 WeakPolarHBondContact O-CB 3.45Å; I67-V71 VanDerWaalsContact O-CG2 3.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.42Å; I67-V71 PolarHBondContact O-N 2.86Å
68	R	97.6	Very high	97.3	Very high	136 Å²	136	80.1 Å²	80.1	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-56.1	-52	176.7	-173.5	-175.9	-58.5	112	3	110.9	E64 N65 A70 V71 T72	E64-R68 VanDerWaalsContact O-CB 3.27Å; E64-R68 WeakPolarHBondContact O-CB 3.43Å; E64-R68 PolarHBondContact O-N 2.84Å; N65-R68 PolarHBondContact O-N 2.76Å; N65-R68 PolarHBondContact OD1-NH1 2.86Å; R68-A70 PolarHBondContact O-N 3.44Å; R68-V71 PolarHBondContact O-N 3.42Å; R68-T72 PolarHBondContact O-N 3.35Å; R68-T72 PolarHBondContact O-OG1 3.25Å; R68-T72 VanDerWaalsContact O-OG1 3.07Å
69	D	97.3	Very high	97.3	Very high	19 Å²	19	79.8 Å²	79.8	10%	0.102	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-42.4	179.5	-69.6	-13.4	0	0	0	111.6	N65 V66 I67 V71 T72 Y73 A90 R93 Q94	N65-D69 PolarHBondContact O-N 3.28Å; V66-D69 PolarHBondContact O-N 3.49Å; I67-D69 PolarHBondContact O-N 3.21Å; D69-V71 PolarHBondContact O-N 3.41Å; D69-T72 WeakPolarHBondContact O-CB 3.12Å; D69-T72 PolarHBondContact O-N 3.47Å; D69-Y73 WeakPolarHBondContact O-CD2 3.32Å; D69-Y73 PolarHBondContact O-N 3.5Å; D69-Y73 VanDerWaalsContact O-N 3.14Å; D69-A90 HydrophobicContact CB-CB 3.61Å; D69-R93 IonicContact OD1-CZ 3.76Å; D69-R93 IonicContact OD1-NH1 2.84Å; D69-R93 PolarHBondContact OD1-NH1 3.05Å; D69-R93 IonicContact OD2-CZ 3.94Å; D69-R93 IonicContact OD2-NH1 2.81Å; D69-R93 PolarHBondContact OD2-NH1 3.2Å; D69-Q94 PolarHBondContact OD2-NE2 3.08Å
70	A	97.9	Very high	97.2	Very high	4 Å²	4	87.3 Å²	87.3	3%	0.033	42%	0.416	C	S	.	.	H	α-helix	trans	-65.2	-37.8	178.7	0	0	0	0	0	112.8	V66 I67 R68 Y73 T74 V82 D86 V87 A90	V66-A70 WeakPolarHBondContact O-CB 3.43Å; V66-A70 PolarHBondContact O-N 2.84Å; I67-A70 PolarHBondContact O-N 2.93Å; R68-A70 PolarHBondContact O-N 3.44Å; A70-Y73 PolarHBondContact O-N 3.3Å; A70-T74 WeakPolarHBondContact O-CB 3.36Å; A70-T74 PolarHBondContact O-N 2.9Å; A70-T74 PolarHBondContact O-OG1 3.14Å; A70-V82 HydrophobicContact CB-CG1 4.09Å; A70-D86 HydrophobicContact CB-CB 4.36Å; A70-V87 HydrophobicContact CB-CG2 4.3Å; A70-A90 HydrophobicContact CB-CB 4.04Å
71	V	98	Very high	97.2	Very high	48 Å²	48	86.9 Å²	86.9	29%	0.291	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-42.5	174.3	169.3	0	0	0	0	110.1	I67 R68 D69 Y73 T74 E75 V82	I67-V71 HydrophobicContact CG2-CG2 4.09Å; I67-V71 WeakPolarHBondContact O-CB 3.45Å; I67-V71 VanDerWaalsContact O-CG2 3.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.42Å; I67-V71 PolarHBondContact O-N 2.86Å; R68-V71 PolarHBondContact O-N 3.42Å; D69-V71 PolarHBondContact O-N 3.41Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 3.48Å; V71-T74 WeakPolarHBondContact O-CB 3.27Å; V71-T74 PolarHBondContact O-N 3.37Å; V71-E75 HydrophobicContact CG1-CG 4.07Å; V71-E75 WeakPolarHBondContact O-CB 3.43Å; V71-E75 WeakPolarHBondContact O-CG 3.14Å; V71-E75 PolarHBondContact O-N 3.07Å; V71-V82 HydrophobicContact CG2-CG2 4.44Å
72	T	97.8	Very high	97.1	Very high	81 Å²	81	86.4 Å²	86.4	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-57.2	-44.8	175.6	-57.4	0	0	0	0	112.3	R68 D69 T74 H76	R68-T72 PolarHBondContact O-N 3.35Å; R68-T72 PolarHBondContact O-OG1 3.25Å; R68-T72 VanDerWaalsContact O-OG1 3.07Å; D69-T72 WeakPolarHBondContact O-CB 3.12Å; D69-T72 PolarHBondContact O-N 3.47Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T74 PolarHBondContact O-N 3.38Å; T72-H76 VanDerWaalsContact O-CB 3.28Å; T72-H76 WeakPolarHBondContact O-CB 3.26Å; T72-H76 PolarHBondContact O-N 3.25Å
73	Y	96.9	Very high	97.1	Very high	82 Å²	82	84.8 Å²	84.8	32%	0.322	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-37.9	175.3	-69.9	-61.3	0	0	0	112.9	D69 A70 V71 A77 A90	D69-Y73 WeakPolarHBondContact O-CD2 3.32Å; D69-Y73 PolarHBondContact O-N 3.5Å; D69-Y73 VanDerWaalsContact O-N 3.14Å; A70-Y73 PolarHBondContact O-N 3.3Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 PolarHBondContact O-N 3.48Å; Y73-A77 WeakPolarHBondContact O-CB 3.5Å; Y73-A77 PolarHBondContact O-N 3.32Å; Y73-A77 VanDerWaalsContact O-N 3.12Å; Y73-A90 HydrophobicContact CE2-CB 4.47Å
74	T	98	Very high	97	Very high	6 Å²	6	83.7 Å²	83.7	4%	0.037	42%	0.42	C	S	.	.	H	α-helix	trans	-66.2	-46.2	179.4	-58.9	0	0	0	0	111.7	A70 V71 T72 A77 K78 R79 T81 V82 D86	A70-T74 WeakPolarHBondContact O-CB 3.36Å; A70-T74 PolarHBondContact O-N 2.9Å; A70-T74 PolarHBondContact O-OG1 3.14Å; V71-T74 WeakPolarHBondContact O-CB 3.27Å; V71-T74 PolarHBondContact O-N 3.37Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T74 PolarHBondContact O-N 3.38Å; T74-A77 PolarHBondContact O-N 3.47Å; T74-K78 PolarHBondContact O-N 3.47Å; T74-R79 HydrophobicContact CG2-CB 4.04Å; T74-R79 WeakPolarHBondContact CG2-O 3.3Å; T74-R79 PolarHBondContact O-N 3.44Å; T74-T81 WeakPolarHBondContact CG2-O 3.09Å; T74-V82 HydrophobicContact CG2-CG2 4.22Å; T74-V82 WeakPolarHBondContact OG1-CA 3.45Å; T74-V82 WeakPolarHBondContact OG1-CG2 2.85Å; T74-D86 PolarHBondContact OG1-OD2 2.85Å
75	E	97.7	Very high	96.9	Very high	133 Å²	133	82.7 Å²	82.7	62%	0.621	42%	0.416	S	S	*	.	H	α-helix	trans	-66.5	-42	178	-71.9	178.5	161.3	0	0	111.3	V71 A77 K78	V71-E75 HydrophobicContact CG1-CG 4.07Å; V71-E75 WeakPolarHBondContact O-CB 3.43Å; V71-E75 WeakPolarHBondContact O-CG 3.14Å; V71-E75 PolarHBondContact O-N 3.07Å; E75-A77 PolarHBondContact O-N 3.29Å; E75-K78 WeakPolarHBondContact O-CA 3.42Å; E75-K78 PolarHBondContact O-N 3.34Å
76	H	97.3	Very high	96.9	Very high	162 Å²	162	80 Å²	80	75%	0.75	40%	0.402	S	S	*	.	H	α-helix	trans	-57.7	-39.5	175	-177.4	71.4	0	0	0	111.9	T72 K78	T72-H76 VanDerWaalsContact O-CB 3.28Å; T72-H76 WeakPolarHBondContact O-CB 3.26Å; T72-H76 PolarHBondContact O-N 3.25Å; H76-K78 PolarHBondContact O-N 3.04Å
77	A	96.8	Very high	96.9	Very high	46 Å²	46	81.9 Å²	81.9	38%	0.38	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.2	175.8	0	0	0	0	0	114.3	Y73 T74 E75 R79	Y73-A77 WeakPolarHBondContact O-CB 3.5Å; Y73-A77 PolarHBondContact O-N 3.32Å; Y73-A77 VanDerWaalsContact O-N 3.12Å; T74-A77 PolarHBondContact O-N 3.47Å; E75-A77 PolarHBondContact O-N 3.29Å; A77-R79 HydrophobicContact CB-CG 4.4Å; A77-R79 PolarHBondContact O-N 3.48Å; A77-R79 VanDerWaalsContact O-N 3.16Å
78	K	97.6	Very high	96.8	Very high	199 Å²	199	77.3 Å²	77.3	87%	0.865	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	29.8	-177.8	-55.7	178.5	-177.9	177.5	0	113.4	T74 E75 H76	T74-K78 PolarHBondContact O-N 3.47Å; E75-K78 WeakPolarHBondContact O-CA 3.42Å; E75-K78 PolarHBondContact O-N 3.34Å; H76-K78 PolarHBondContact O-N 3.04Å
79	R	97.2	Very high	96.7	Very high	90 Å²	90	75.9 Å²	75.9	34%	0.34	39%	0.385	S	S	.	.			trans	-98.5	153.1	177.3	-72.8	-178.3	-76.1	103.2	-5.2	110.5	T74 A77 T81 D86	T74-R79 HydrophobicContact CG2-CB 4.04Å; T74-R79 WeakPolarHBondContact CG2-O 3.3Å; T74-R79 PolarHBondContact O-N 3.44Å; A77-R79 HydrophobicContact CB-CG 4.4Å; A77-R79 PolarHBondContact O-N 3.48Å; A77-R79 VanDerWaalsContact O-N 3.16Å; R79-T81 PolarHBondContact NH1-O 3.2Å; R79-T81 VanDerWaalsContact NH1-O 3.11Å; R79-D86 IonicContact CZ-OD1 3.44Å; R79-D86 IonicContact CZ-OD2 3.97Å; R79-D86 IonicContact NH1-OD1 3.68Å; R79-D86 IonicContact NH1-OD2 2.7Å; R79-D86 PolarHBondContact NH1-OD2 3.11Å; R79-D86 IonicContact NH2-OD1 3.26Å; R79-D86 PolarHBondContact NH2-OD1 3.26Å; R79-D86 IonicContact NH2-OD2 3.68Å; R79-D86 PolarHBondContact NH2-OD2 2.75Å
80	K	95.3	Very high	96.7	Very high	216 Å²	216	75 Å²	75	94%	0.939	38%	0.38	S	S	*	.	S	Bend	trans	-99.9	-2.8	173.2	-62.7	-177.3	-179.4	179.6	0	113.3
81	T	95.9	Very high	96.6	Very high	104 Å²	104	75.8 Å²	75.8	64%	0.638	38%	0.384	S	S	*	.	S	Bend	trans	-126.7	120.8	-175.5	-56.2	0	0	0	0	108.8	T74 R79 T83	T74-T81 WeakPolarHBondContact CG2-O 3.09Å; R79-T81 PolarHBondContact NH1-O 3.2Å; R79-T81 VanDerWaalsContact NH1-O 3.11Å; T81-T83 PolarHBondContact O-N 2.7Å
82	V	96.5	Very high	96.4	Very high	68 Å²	68	78.8 Å²	78.8	41%	0.412	39%	0.393	S	S	.	.			trans	-65.8	128.5	170.9	-176.4	0	0	0	0	108.5	A70 V71 T74 D86 V87	A70-V82 HydrophobicContact CB-CG1 4.09Å; V71-V82 HydrophobicContact CG2-CG2 4.44Å; T74-V82 HydrophobicContact CG2-CG2 4.22Å; T74-V82 WeakPolarHBondContact OG1-CA 3.45Å; T74-V82 WeakPolarHBondContact OG1-CG2 2.85Å; V82-D86 HydrophobicContact CG1-CB 3.95Å; V82-V87 HydrophobicContact CG1-CG2 4.03Å
83	T	95.8	Very high	96.2	Very high	53 Å²	53	82.7 Å²	82.7	33%	0.325	40%	0.399	S	S	.	.			trans	-97.5	165.9	177	66.4	0	0	0	0	110.6	T81 M85 D86 V87	T81-T83 PolarHBondContact O-N 2.7Å; T83-M85 PolarHBondContact O-N 2.8Å; T83-M85 PolarHBondContact OG1-N 3.07Å; T83-D86 WeakPolarHBondContact CB-OD2 3.44Å; T83-D86 PolarHBondContact N-OD2 3.25Å; T83-D86 PolarHBondContact O-N 3.07Å; T83-D86 VanDerWaalsContact OG1-CG 3.25Å; T83-D86 PolarHBondContact OG1-N 3.12Å; T83-D86 PolarHBondContact OG1-OD2 3.33Å; T83-V87 PolarHBondContact O-N 2.99Å
84	A	95	Very high	96.1	Very high	57 Å²	57	81.8 Å²	81.8	47%	0.471	40%	0.397	S	S	.	.	H	α-helix	trans	-57.3	-36.8	172.9	0	0	0	0	0	112	D86 V87 V88 F101	A84-D86 PolarHBondContact O-N 2.67Å; A84-V87 PolarHBondContact O-N 2.76Å; A84-V88 VanDerWaalsContact O-CG2 3.31Å; A84-V88 WeakPolarHBondContact O-CG2 3.42Å; A84-V88 PolarHBondContact O-N 2.9Å; A84-F101 HydrophobicContact CB-CD1 4.38Å; A84-F101 HydrophobicContact CB-CE1 4.16Å
85	M	95.6	Very high	95.9	Very high	62 Å²	62	84.6 Å²	84.6	31%	0.305	43%	0.428	S	S	.	.	H	α-helix	trans	-66.3	-36.8	-180	-66.2	-51.3	-62.6	0	0	112.7	T83 V87 V88 Y89	T83-M85 PolarHBondContact O-N 2.8Å; T83-M85 PolarHBondContact OG1-N 3.07Å; M85-V87 PolarHBondContact O-N 3.14Å; M85-V88 PolarHBondContact O-N 3.03Å; M85-Y89 HydrophobicContact CB-CD2 4.43Å; M85-Y89 HydrophobicContact CB-CE2 4.02Å; M85-Y89 HydrophobicContact CE-CE1 3.93Å; M85-Y89 HydrophobicContact CE-CE2 4.21Å; M85-Y89 WeakPolarHBondContact CE-OH 3.39Å; M85-Y89 WeakPolarHBondContact O-CB 3.49Å; M85-Y89 WeakPolarHBondContact O-CD2 3.44Å; M85-Y89 VanDerWaalsContact O-CG 3.25Å; M85-Y89 PolarHBondContact O-N 3.16Å
86	D	96.3	Very high	95.7	Very high	4 Å²	4	86.1 Å²	86.1	2%	0.021	43%	0.428	C	S	.	.	H	α-helix	trans	-60.6	-38.9	175.6	-57.4	-50.6	0	0	0	111.1	A70 T74 R79 V82 T83 A84 A90	A70-D86 HydrophobicContact CB-CB 4.36Å; T74-D86 PolarHBondContact OG1-OD2 2.85Å; R79-D86 IonicContact CZ-OD1 3.44Å; R79-D86 IonicContact CZ-OD2 3.97Å; R79-D86 IonicContact NH1-OD1 3.68Å; R79-D86 IonicContact NH1-OD2 2.7Å; R79-D86 PolarHBondContact NH1-OD2 3.11Å; R79-D86 IonicContact NH2-OD1 3.26Å; R79-D86 PolarHBondContact NH2-OD1 3.26Å; R79-D86 IonicContact NH2-OD2 3.68Å; R79-D86 PolarHBondContact NH2-OD2 2.75Å; V82-D86 HydrophobicContact CG1-CB 3.95Å; T83-D86 WeakPolarHBondContact CB-OD2 3.44Å; T83-D86 PolarHBondContact N-OD2 3.25Å; T83-D86 PolarHBondContact O-N 3.07Å; T83-D86 VanDerWaalsContact OG1-CG 3.25Å; T83-D86 PolarHBondContact OG1-N 3.12Å; T83-D86 PolarHBondContact OG1-OD2 3.33Å; A84-D86 PolarHBondContact O-N 2.67Å; D86-A90 WeakPolarHBondContact O-CB 3.48Å; D86-A90 PolarHBondContact O-N 2.8Å
87	V	96.4	Very high	95.4	Very high	51 Å²	51	82.6 Å²	82.6	31%	0.309	42%	0.418	S	S	.	.	H	α-helix	trans	-69.8	-42	175.8	-178.9	0	0	0	0	111.2	V66 A70 V82 T83 A84 M85 Y89 A90 L91	V66-V87 HydrophobicContact CG1-CG1 4.36Å; A70-V87 HydrophobicContact CB-CG2 4.3Å; V82-V87 HydrophobicContact CG1-CG2 4.03Å; T83-V87 PolarHBondContact O-N 2.99Å; A84-V87 PolarHBondContact O-N 2.76Å; M85-V87 PolarHBondContact O-N 3.14Å; V87-Y89 VanDerWaalsContact C-N 3.32Å; V87-Y89 PolarHBondContact O-N 2.81Å; V87-A90 PolarHBondContact O-N 3.1Å; V87-L91 HydrophobicContact CG1-CD1 4.08Å; V87-L91 HydrophobicContact CG1-CG 4.44Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.26Å; V87-L91 PolarHBondContact O-N 3.28Å
88	V	96.2	Very high	95.2	Very high	2 Å²	2	83.8 Å²	83.8	1%	0.012	42%	0.417	C	S	.	.	H	α-helix	trans	-61.3	-42.2	176.6	172	0	0	0	0	110.8	A84 M85 L91 K92 L98 F101	A84-V88 VanDerWaalsContact O-CG2 3.31Å; A84-V88 WeakPolarHBondContact O-CG2 3.42Å; A84-V88 PolarHBondContact O-N 2.9Å; M85-V88 PolarHBondContact O-N 3.03Å; V88-L91 PolarHBondContact O-N 3.07Å; V88-K92 HydrophobicContact CG1-CD 4.15Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 VanDerWaalsContact O-CG 3.3Å; V88-K92 WeakPolarHBondContact O-CG 3.5Å; V88-K92 PolarHBondContact O-N 3.46Å; V88-L98 HydrophobicContact CG2-CD2 4.32Å; V88-F101 HydrophobicContact CG1-CB 4.47Å; V88-F101 HydrophobicContact CG2-CB 3.53Å; V88-F101 HydrophobicContact CG2-CD1 3.86Å; V88-F101 HydrophobicContact CG2-CG 3.74Å
89	Y	95.2	Very high	94.9	Very high	107 Å²	107	83.8 Å²	83.8	42%	0.42	41%	0.413	S	S	.	.	H	α-helix	trans	-68.7	-41.2	176.6	-62.9	-38.6	0	0	0	112.5	M85 V87 L91 K92 R93	M85-Y89 HydrophobicContact CB-CD2 4.43Å; M85-Y89 HydrophobicContact CB-CE2 4.02Å; M85-Y89 HydrophobicContact CE-CE1 3.93Å; M85-Y89 HydrophobicContact CE-CE2 4.21Å; M85-Y89 WeakPolarHBondContact CE-OH 3.39Å; M85-Y89 WeakPolarHBondContact O-CB 3.49Å; M85-Y89 WeakPolarHBondContact O-CD2 3.44Å; M85-Y89 VanDerWaalsContact O-CG 3.25Å; M85-Y89 PolarHBondContact O-N 3.16Å; V87-Y89 VanDerWaalsContact C-N 3.32Å; V87-Y89 PolarHBondContact O-N 2.81Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 2.96Å; Y89-K92 HydrophobicContact CD1-CD 4.45Å; Y89-K92 PolarHBondContact O-N 3.16Å; Y89-R93 WeakPolarHBondContact O-CB 3.42Å; Y89-R93 PolarHBondContact O-N 2.91Å
90	A	96.6	Very high	94.7	Very high	0 Å²	0	83.4 Å²	83.4	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-57.3	-45.3	172.9	0	0	0	0	0	112.2	V66 D69 A70 Y73 D86 V87 R93 Q94	V66-A90 HydrophobicContact CG1-CB 4.31Å; D69-A90 HydrophobicContact CB-CB 3.61Å; A70-A90 HydrophobicContact CB-CB 4.04Å; Y73-A90 HydrophobicContact CE2-CB 4.47Å; D86-A90 WeakPolarHBondContact O-CB 3.48Å; D86-A90 PolarHBondContact O-N 2.8Å; V87-A90 PolarHBondContact O-N 3.1Å; A90-R93 PolarHBondContact O-N 3.38Å; A90-Q94 PolarHBondContact O-N 2.84Å
91	L	96.3	Very high	94.3	Very high	20 Å²	20	77.3 Å²	77.3	11%	0.105	41%	0.411	C	S	.	.	H	α-helix	trans	-65.7	-46	176.8	-70.4	170.7	0	0	0	111.6	F62 V66 V87 V88 Y89 R93 Q94 G95 R96 L98	F62-L91 HydrophobicContact CZ-CD2 4.15Å; V66-L91 HydrophobicContact CG1-CD2 4.06Å; V66-L91 HydrophobicContact CG1-CG 4.27Å; V66-L91 HydrophobicContact CG2-CD2 3.82Å; V87-L91 HydrophobicContact CG1-CD1 4.08Å; V87-L91 HydrophobicContact CG1-CG 4.44Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.26Å; V87-L91 PolarHBondContact O-N 3.28Å; V88-L91 PolarHBondContact O-N 3.07Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 2.96Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 2.85Å; L91-Q94 CarbonylContact O-C 3.5Å; L91-Q94 WeakPolarHBondContact O-CA 3.28Å; L91-Q94 PolarHBondContact O-N 2.97Å; L91-G95 PolarHBondContact O-N 2.91Å; L91-R96 CarbonylContact C-O 3.51Å; L91-R96 HydrophobicContact CB-CB 4.2Å; L91-R96 VanDerWaalsContact CB-O 3.28Å; L91-R96 WeakPolarHBondContact CB-O 3.41Å; L91-R96 HydrophobicContact CD2-CB 4.22Å; L91-R96 WeakPolarHBondContact O-CA 3.48Å; L91-R96 PolarHBondContact O-N 2.95Å; L91-L98 HydrophobicContact CD1-CB 3.94Å; L91-L98 HydrophobicContact CD1-CD2 4.07Å; L91-L98 HydrophobicContact CD1-CG 4.44Å
92	K	94.5	Very high	93.3	Very high	111 Å²	111	76 Å²	76	48%	0.483	42%	0.418	S	S	.	.	H	α-helix	trans	-57.7	-41.3	177.6	-79	177.2	178.5	179.9	0	111.7	V88 Y89 Q94 G95 R96	V88-K92 HydrophobicContact CG1-CD 4.15Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 VanDerWaalsContact O-CG 3.3Å; V88-K92 WeakPolarHBondContact O-CG 3.5Å; V88-K92 PolarHBondContact O-N 3.46Å; Y89-K92 HydrophobicContact CD1-CD 4.45Å; Y89-K92 PolarHBondContact O-N 3.16Å; K92-Q94 PolarHBondContact O-N 3.31Å; K92-G95 PolarHBondContact O-N 3.34Å; K92-R96 PolarHBondContact N-O 3.16Å
93	R	94.2	Very high	91.5	Very high	164 Å²	164	79.3 Å²	79.3	62%	0.619	47%	0.467	S	S	*	.	H	α-helix	trans	-58.9	-32.5	175.5	-178.1	177.8	175.1	-94.9	2	112.7	D69 Y89 A90 L91 G95	D69-R93 IonicContact OD1-CZ 3.76Å; D69-R93 IonicContact OD1-NH1 2.84Å; D69-R93 PolarHBondContact OD1-NH1 3.05Å; D69-R93 IonicContact OD2-CZ 3.94Å; D69-R93 IonicContact OD2-NH1 2.81Å; D69-R93 PolarHBondContact OD2-NH1 3.2Å; Y89-R93 WeakPolarHBondContact O-CB 3.42Å; Y89-R93 PolarHBondContact O-N 2.91Å; A90-R93 PolarHBondContact O-N 3.38Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 2.85Å; R93-G95 VanDerWaalsContact C-N 3.29Å
94	Q	93.1	Very high	91.3	Very high	63 Å²	63	80.7 Å²	80.7	29%	0.294	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.9	177.1	-62.3	177.7	8.1	0	0	113.3	N65 D69 A90 L91 K92 R96	N65-Q94 PolarHBondContact O-NE2 2.77Å; D69-Q94 PolarHBondContact OD2-NE2 3.08Å; A90-Q94 PolarHBondContact O-N 2.84Å; L91-Q94 CarbonylContact O-C 3.5Å; L91-Q94 WeakPolarHBondContact O-CA 3.28Å; L91-Q94 PolarHBondContact O-N 2.97Å; K92-Q94 PolarHBondContact O-N 3.31Å; Q94-R96 VanDerWaalsContact C-N 3.26Å; Q94-R96 PolarHBondContact O-N 2.92Å
95	G	94.3	Very high	91.1	Very high	65 Å²	65	81.9 Å²	81.9	67%	0.67	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	21.4	-177	0	0	0	0	0	113.8	L91 K92 R93	L91-G95 PolarHBondContact O-N 2.91Å; K92-G95 PolarHBondContact O-N 3.34Å; R93-G95 VanDerWaalsContact C-N 3.29Å
96	R	93.6	Very high	90.8	Very high	164 Å²	164	83 Å²	83	62%	0.619	48%	0.483	S	S	*	.			trans	-111.2	120.2	178.5	-60.9	-58.8	-174.5	173.2	-0.9	110.1	L91 K92 Q94	L91-R96 CarbonylContact C-O 3.51Å; L91-R96 HydrophobicContact CB-CB 4.2Å; L91-R96 VanDerWaalsContact CB-O 3.28Å; L91-R96 WeakPolarHBondContact CB-O 3.41Å; L91-R96 HydrophobicContact CD2-CB 4.22Å; L91-R96 WeakPolarHBondContact O-CA 3.48Å; L91-R96 PolarHBondContact O-N 2.95Å; K92-R96 PolarHBondContact N-O 3.16Å; Q94-R96 VanDerWaalsContact C-N 3.26Å; Q94-R96 PolarHBondContact O-N 2.92Å
97	T	91.8	Very high	90.5	Very high	89 Å²	89	87.6 Å²	87.6	55%	0.546	51%	0.51	S	S	.	.			trans	-97	125.6	177.8	-58.4	0	0	0	0	110	Y99	T97-Y99 HydrophobicContact CG2-CD1 4.48Å; T97-Y99 HydrophobicContact CG2-CE1 4.33Å
98	L	92.5	Very high	90.1	Very high	71 Å²	71	89.9 Å²	89.9	37%	0.372	52%	0.523	S	S	.	.			trans	-94.4	113.1	170.3	-169.3	64.3	0	0	0	109.1	V88 L91 F101	V88-L98 HydrophobicContact CG2-CD2 4.32Å; L91-L98 HydrophobicContact CD1-CB 3.94Å; L91-L98 HydrophobicContact CD1-CD2 4.07Å; L91-L98 HydrophobicContact CD1-CG 4.44Å; L98-F101 HydrophobicContact CB-CD2 4.24Å; L98-F101 HydrophobicContact CD1-CE2 4.39Å; L98-F101 HydrophobicContact CD2-CD2 3.48Å; L98-F101 VanDerWaalsContact CD2-CD2 3.48Å; L98-F101 HydrophobicContact CD2-CE1 4.46Å; L98-F101 HydrophobicContact CD2-CE2 3.3Å; L98-F101 HydrophobicContact CD2-CG 4.15Å; L98-F101 HydrophobicContact CD2-CZ 3.84Å; L98-F101 HydrophobicContact CG-CD2 3.48Å; L98-F101 VanDerWaalsContact CG-CD2 3.48Å; L98-F101 HydrophobicContact CG-CE2 3.55Å; L98-F101 HydrophobicContact CG-CG 4.43Å
99	Y	91.5	Very high	89.7	Confident	198 Å²	198	95.8 Å²	95.8	78%	0.776	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	151.5	-179.1	-58.7	-77.9	0	0	0	112	T97 F101	T97-Y99 HydrophobicContact CG2-CD1 4.48Å; T97-Y99 HydrophobicContact CG2-CE1 4.33Å; Y99-F101 VanDerWaalsContact C-N 3.31Å; Y99-F101 WeakPolarHBondContact O-CD2 3.5Å
100	G	92	Very high	89.3	Confident	83 Å²	83	95 Å²	95	86%	0.856	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.8	5.9	-178.5	0	0	0	0	0	114.7
101	F	87.1	Confident	88.8	Confident	87 Å²	87	102.3 Å²	102.3	38%	0.382	61%	0.611	S	S	.	*			trans	-117.6	34.6	175.2	-63.6	-99.3	0	0	0	111.6	A84 V88 L98 Y99 G103	A84-F101 HydrophobicContact CB-CD1 4.38Å; A84-F101 HydrophobicContact CB-CE1 4.16Å; V88-F101 HydrophobicContact CG1-CB 4.47Å; V88-F101 HydrophobicContact CG2-CB 3.53Å; V88-F101 HydrophobicContact CG2-CD1 3.86Å; V88-F101 HydrophobicContact CG2-CG 3.74Å; L98-F101 HydrophobicContact CB-CD2 4.24Å; L98-F101 HydrophobicContact CD1-CE2 4.39Å; L98-F101 HydrophobicContact CD2-CD2 3.48Å; L98-F101 VanDerWaalsContact CD2-CD2 3.48Å; L98-F101 HydrophobicContact CD2-CE1 4.46Å; L98-F101 HydrophobicContact CD2-CE2 3.3Å; L98-F101 HydrophobicContact CD2-CG 4.15Å; L98-F101 HydrophobicContact CD2-CZ 3.84Å; L98-F101 HydrophobicContact CG-CD2 3.48Å; L98-F101 VanDerWaalsContact CG-CD2 3.48Å; L98-F101 HydrophobicContact CG-CE2 3.55Å; L98-F101 HydrophobicContact CG-CG 4.43Å; Y99-F101 VanDerWaalsContact C-N 3.31Å; Y99-F101 WeakPolarHBondContact O-CD2 3.5Å; F101-G103 PolarHBondContact O-N 3.12Å
102	G	75.6	Confident	88.1	Confident	76 Å²	76	109.2 Å²	109.2	78%	0.784	65%	0.653	S	S	*	*			trans	-61.6	125.2	163.6	0	0	0	0	0	108.1
103	G	57.5	Low	87.6	Confident	139 Å²	139	109 Å²	109	100%	1.433	67%	0.668	S	S	*	*			trans	-76.6	0	171.8	0	0	0	0	0	111.1	F101	F101-G103 PolarHBondContact O-N 3.12Å

Retrieved 103 of 103 residues in 71.3 ms (Link to these results)

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