H4_APLCA Loading...

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.

AlphaFold DB (Q0VAS5), UniProt , Accession Q8MTV8, Species APLCA (Aplysia californica, California sea hare), Gene His.H4, Length 103 aa.

						>H4_APLCA|Q8MTV8|His.H4
MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKCKTVTAMDVVYALKRQGRTLYGFGG
					

Structure Viewer

Loading PAE data...

(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	44.3	Very low	56.6	Low	243 Å²	243	142.5 Å²	142.5	100%	1.197	86%	0.864	S	S	*	*				0	100.6	0	-69.7	169.9	69.9	0	0	108.9	G3	M1-G3 PolarHBondContact O-N 3.35Å
2	S	46.9	Very low	56.7	Low	121 Å²	121	136.4 Å²	136.4	85%	0.846	85%	0.851	S	S	*	*			trans	-84.8	106.3	177.8	43.4	0	0	0	0	109.9	R4	S2-R4 PolarHBondContact O-N 3.03Å
3	G	53.2	Low	57.2	Low	84 Å²	84	141.7 Å²	141.7	87%	0.866	86%	0.855	S	S	*	*			trans	-67.1	99.4	177	0	0	0	0	0	111.3	M1 G5	M1-G3 PolarHBondContact O-N 3.35Å; G3-G5 PolarHBondContact O-N 3.36Å; G3-G5 VanDerWaalsContact O-N 3.12Å
4	R	57.3	Low	57.5	Low	246 Å²	246	136.7 Å²	136.7	93%	0.928	85%	0.847	S	S	*	*			trans	-70.9	99.1	176	-159	168.1	-175.4	159.3	-1	108.9	S2	S2-R4 PolarHBondContact O-N 3.03Å
5	G	59.6	Low	57.8	Low	67 Å²	67	131.5 Å²	131.5	69%	0.691	83%	0.831	S	S	*	*			trans	-56.4	139.6	174.5	0	0	0	0	0	112	G3 G7	G3-G5 PolarHBondContact O-N 3.36Å; G3-G5 VanDerWaalsContact O-N 3.12Å; G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 3.28Å
6	K	63.4	Low	58.3	Low	227 Å²	227	129.5 Å²	129.5	99%	0.987	83%	0.83	S	S	*	*	S	Bend	trans	-72.2	85.3	171.7	-79.4	-177.3	176.3	176.3	0	109.6
7	G	62.2	Low	58.8	Low	71 Å²	71	132.1 Å²	132.1	73%	0.732	83%	0.825	S	S	*	*			trans	-154.8	40.1	178.5	0	0	0	0	0	112.1	G5 K9	G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 3.28Å; G7-K9 PolarHBondContact O-N 3.47Å
8	G	56.5	Low	59.1	Low	78 Å²	78	138.4 Å²	138.4	80%	0.804	83%	0.831	S	S	*	*			trans	-76.4	117	174.6	0	0	0	0	0	110.8	G10	G8-G10 VanDerWaalsContact C-N 3.3Å; G8-G10 PolarHBondContact O-N 2.92Å
9	K	62.1	Low	59.2	Low	199 Å²	199	138.1 Å²	138.1	87%	0.865	82%	0.82	S	S	*	*			trans	-64.9	85.5	173.6	-139.4	177.5	-171.7	177.7	0	109.2	G7 L11	G7-K9 PolarHBondContact O-N 3.47Å; K9-L11 PolarHBondContact O-N 3.16Å; K9-L11 VanDerWaalsContact O-N 3.13Å
10	G	57.7	Low	59.3	Low	74 Å²	74	142.1 Å²	142.1	76%	0.763	82%	0.82	S	S	*	*			trans	-70.5	101.3	168.3	0	0	0	0	0	109.1	G8 G12	G8-G10 VanDerWaalsContact C-N 3.3Å; G8-G10 PolarHBondContact O-N 2.92Å; G10-G12 PolarHBondContact O-N 3.31Å
11	L	58.8	Low	59.6	Low	158 Å²	158	145 Å²	145	83%	0.827	82%	0.823	S	S	*	*			trans	-71.5	66	169.3	-69.5	169.6	0	0	0	109.8	K9 K13	K9-L11 PolarHBondContact O-N 3.16Å; K9-L11 VanDerWaalsContact O-N 3.13Å; L11-K13 PolarHBondContact O-N 3.48Å
12	G	58.8	Low	60.7	Low	69 Å²	69	136.6 Å²	136.6	71%	0.711	79%	0.785	S	S	*	*			trans	-79.2	98	158.7	0	0	0	0	0	107.1	G10 G14	G10-G12 PolarHBondContact O-N 3.31Å; G12-G14 PolarHBondContact O-N 2.85Å
13	K	62.5	Low	61.6	Low	205 Å²	205	138.7 Å²	138.7	89%	0.891	79%	0.786	S	S	*	*			trans	-60.9	83.8	167.6	-72.5	-179	178.2	176.6	0	108.2	L11 G15	L11-K13 PolarHBondContact O-N 3.48Å; K13-G15 VanDerWaalsContact C-N 3.34Å; K13-G15 PolarHBondContact O-N 2.86Å
14	G	60.9	Low	62.5	Low	72 Å²	72	143.2 Å²	143.2	74%	0.742	78%	0.777	S	S	*	*			trans	-60.7	103.4	161.1	0	0	0	0	0	106	G12 A16	G12-G14 PolarHBondContact O-N 2.85Å; G14-A16 PolarHBondContact O-N 3.44Å
15	G	63	Low	63.5	Low	59 Å²	59	136.7 Å²	136.7	61%	0.608	76%	0.76	S	S	*	*			trans	-47.3	141.4	-179.3	0	0	0	0	0	110.2	K13 K17	K13-G15 VanDerWaalsContact C-N 3.34Å; K13-G15 PolarHBondContact O-N 2.86Å; G15-K17 PolarHBondContact O-N 3.06Å
16	A	66.1	Low	64.8	Low	99 Å²	99	138.1 Å²	138.1	82%	0.818	75%	0.752	S	S	*	*			trans	-52.8	103.7	173.1	0	0	0	0	0	107.9	G14 R18	G14-A16 PolarHBondContact O-N 3.44Å; A16-R18 VanDerWaalsContact C-N 3.33Å; A16-R18 PolarHBondContact O-N 3.36Å
17	K	65.8	Low	66.2	Low	173 Å²	173	128.9 Å²	128.9	75%	0.752	71%	0.713	S	S	*	*			trans	-63.2	101.9	175.2	-76.3	-174.5	178.6	178.1	0	106.1	G15 H19	G15-K17 PolarHBondContact O-N 3.06Å; K17-H19 WeakPolarHBondContact CB-NE2 3.23Å; K17-H19 PolarHBondContact O-CD2 3.49Å; K17-H19 PolarHBondContact O-N 3.21Å
18	R	63.9	Low	67.6	Low	247 Å²	247	129.6 Å²	129.6	93%	0.932	70%	0.698	S	S	*	*			trans	-67.9	90.2	165.9	-79.5	-173.2	174	-175.4	-0.7	106.9	A16 R20	A16-R18 VanDerWaalsContact C-N 3.33Å; A16-R18 PolarHBondContact O-N 3.36Å; R18-R20 PolarHBondContact O-N 3.33Å
19	H	62.3	Low	69.3	Low	132 Å²	132	128.6 Å²	128.6	61%	0.611	69%	0.687	S	S	*	*			trans	-73.4	103.4	168.6	-72.6	-79.7	0	0	0	107.7	K17 K21	K17-H19 WeakPolarHBondContact CB-NE2 3.23Å; K17-H19 PolarHBondContact O-CD2 3.49Å; K17-H19 PolarHBondContact O-N 3.21Å; H19-K21 PolarHBondContact O-N 3.21Å
20	R	61.5	Low	70.8	Confident	218 Å²	218	122 Å²	122	82%	0.823	66%	0.661	S	S	*	*			trans	-55.5	121.4	155.2	-172.2	171.1	75.3	177.6	3.9	106.1	R18 V22	R18-R20 PolarHBondContact O-N 3.33Å; R20-V22 PolarHBondContact O-N 3.35Å
21	K	64.3	Low	72.7	Confident	203 Å²	203	121.7 Å²	121.7	88%	0.883	64%	0.644	S	S	*	*			trans	-68.7	83.6	177	-73	-175.1	-179.8	178	0	108.7	H19	H19-K21 PolarHBondContact O-N 3.21Å
22	V	67.9	Low	74.5	Confident	67 Å²	67	119.3 Å²	119.3	41%	0.406	63%	0.627	S	S	.	*			trans	-73.6	139.1	162.8	-178.6	0	0	0	0	106.7	R20 R24	R20-V22 PolarHBondContact O-N 3.35Å; V22-R24 HydrophobicContact CB-CG 4.43Å; V22-R24 HydrophobicContact CG1-CG 4.48Å; V22-R24 PolarHBondContact O-N 2.96Å
23	L	65.9	Low	76.4	Confident	164 Å²	164	119.4 Å²	119.4	86%	0.859	62%	0.615	S	S	*	*	S	Bend	trans	-56.5	109.5	171.2	-75.4	167.3	0	0	0	108.5
24	R	71.8	Confident	78.1	Confident	179 Å²	179	110.9 Å²	110.9	68%	0.675	58%	0.583	S	S	*	*	S	Bend	trans	-134.1	-178.3	177.5	-69.6	-177.3	-179.3	-172.5	-1.6	107.4	V22 N26	V22-R24 HydrophobicContact CB-CG 4.43Å; V22-R24 HydrophobicContact CG1-CG 4.48Å; V22-R24 PolarHBondContact O-N 2.96Å; R24-N26 PolarHBondContact O-N 3.35Å; R24-N26 PolarHBondContact O-ND2 3.36Å
25	D	77.6	Confident	79.9	Confident	109 Å²	109	107.6 Å²	107.6	58%	0.583	55%	0.548	S	S	*	.			trans	-65	80.1	169.2	-167.9	21.6	0	0	0	111.2	I27 Q28	D25-I27 PolarHBondContact O-N 2.97Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.41Å; D25-Q28 PolarHBondContact O-N 3.48Å
26	N	88	Confident	81.5	Confident	98 Å²	98	109.3 Å²	109.3	52%	0.524	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.1	-172.8	-72.5	-39	0	0	0	112.4	R24 Q28 G29	R24-N26 PolarHBondContact O-N 3.35Å; R24-N26 PolarHBondContact O-ND2 3.36Å; N26-Q28 PolarHBondContact O-N 3.45Å; N26-G29 WeakPolarHBondContact O-CA 3.37Å; N26-G29 PolarHBondContact O-N 2.77Å
27	I	92.6	Very high	83.1	Confident	32 Å²	32	112 Å²	112	16%	0.164	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-60.5	-31.2	179	-160.7	63.3	0	0	0	111.5	D25 G29 I30 R56 K60	D25-I27 PolarHBondContact O-N 2.97Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.41Å; I27-G29 PolarHBondContact O-N 2.9Å; I27-I30 WeakPolarHBondContact O-CB 3.48Å; I27-I30 PolarHBondContact O-N 2.92Å; I27-R56 HydrophobicContact CD1-CB 4.29Å; I27-R56 HydrophobicContact CG1-CB 3.72Å; I27-R56 HydrophobicContact CG1-CG 4.04Å; I27-R56 WeakPolarHBondContact O-CD 3.45Å; I27-R56 PolarHBondContact O-NE 3.4Å; I27-K60 HydrophobicContact CD1-CB 4.08Å
28	Q	90.8	Very high	84.6	Confident	87 Å²	87	108.6 Å²	108.6	41%	0.407	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-68.9	-17.1	175.2	-63.7	-55.4	-31.6	0	0	113.1	D25 N26 I30 E53 R56	D25-Q28 PolarHBondContact O-N 3.48Å; N26-Q28 PolarHBondContact O-N 3.45Å; Q28-I30 PolarHBondContact O-N 3.49Å; Q28-E53 PolarHBondContact NE2-OE2 2.86Å; Q28-E53 VanDerWaalsContact NE2-OE2 3.12Å; Q28-R56 VanDerWaalsContact OE1-CZ 3.31Å
29	G	92.1	Very high	86.3	Confident	57 Å²	57	97.9 Å²	97.9	59%	0.588	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-65.8	-18.8	169.2	0	0	0	0	0	113.7	N26 I27 T31	N26-G29 WeakPolarHBondContact O-CA 3.37Å; N26-G29 PolarHBondContact O-N 2.77Å; I27-G29 PolarHBondContact O-N 2.9Å; G29-T31 WeakPolarHBondContact O-CG2 3.21Å; G29-T31 PolarHBondContact O-N 3.23Å
30	I	94.9	Very high	88	Confident	60 Å²	60	97.2 Å²	97.2	31%	0.308	47%	0.471	S	S	.	.	S	Bend	trans	-76.3	92.6	167.3	-52.1	-59.2	0	0	0	107.7	I27 Q28 I35 R56 L59	I27-I30 WeakPolarHBondContact O-CB 3.48Å; I27-I30 PolarHBondContact O-N 2.92Å; Q28-I30 PolarHBondContact O-N 3.49Å; I30-I35 HydrophobicContact CG2-CD1 4.24Å; I30-I35 HydrophobicContact CG2-CG1 3.95Å; I30-R56 HydrophobicContact CB-CG 4.4Å; I30-R56 VanDerWaalsContact O-CZ 3.32Å; I30-R56 PolarHBondContact O-NE 3.13Å; I30-R56 PolarHBondContact O-NH2 3.37Å; I30-R56 VanDerWaalsContact O-NH2 3.11Å; I30-L59 HydrophobicContact CD1-CD2 4.14Å; I30-L59 HydrophobicContact CG1-CD2 3.84Å; I30-L59 HydrophobicContact CG2-CD2 4.08Å
31	T	96.4	Very high	89.8	Confident	67 Å²	67	96.9 Å²	96.9	41%	0.411	47%	0.47	S	S	.	.			trans	-74.3	153.1	-169.3	64.8	0	0	0	0	113.2	G29 P33 A34 I35	G29-T31 WeakPolarHBondContact O-CG2 3.21Å; G29-T31 PolarHBondContact O-N 3.23Å; T31-P33 VanDerWaalsContact C-CD 3.49Å; T31-P33 VanDerWaalsContact C-N 3.33Å; T31-A34 WeakPolarHBondContact O-CB 3.47Å; T31-A34 PolarHBondContact O-N 3.12Å; T31-I35 PolarHBondContact O-N 3.28Å; T31-I35 VanDerWaalsContact O-N 3.13Å
32	K	97.4	Very high	91.4	Very high	109 Å²	109	90.2 Å²	90.2	47%	0.474	46%	0.459	S	S	.	.	H	α-helix	trans	-52	-41.2	175.3	-60.6	-174.4	177.1	-179.9	0	113.6	A34 I35 R36 Y52	K32-A34 PolarHBondContact O-N 3.06Å; K32-I35 PolarHBondContact O-N 3.45Å; K32-R36 WeakPolarHBondContact O-CB 3.5Å; K32-R36 PolarHBondContact O-N 3.38Å; K32-Y52 HydrophobicContact CB-CD1 3.89Å; K32-Y52 HydrophobicContact CB-CE1 3.96Å; K32-Y52 HydrophobicContact CB-CG 4.3Å; K32-Y52 HydrophobicContact CD-CD1 4.42Å; K32-Y52 HydrophobicContact CD-CD2 3.77Å; K32-Y52 HydrophobicContact CD-CE2 4Å; K32-Y52 HydrophobicContact CD-CG 4.03Å; K32-Y52 HydrophobicContact CG-CD1 3.86Å; K32-Y52 HydrophobicContact CG-CD2 4.04Å; K32-Y52 HydrophobicContact CG-CE1 4.28Å; K32-Y52 HydrophobicContact CG-CE2 4.47Å; K32-Y52 HydrophobicContact CG-CG 3.75Å
33	P	98.1	Very high	92.8	Very high	70 Å²	70	90.1 Å²	90.1	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-63.2	-35.5	174.1	-24.5	36	0	0	0	114	T31 R36 R37	T31-P33 VanDerWaalsContact C-CD 3.49Å; T31-P33 VanDerWaalsContact C-N 3.33Å; P33-R36 PolarHBondContact O-N 3.11Å; P33-R37 WeakPolarHBondContact O-CG 3.42Å; P33-R37 PolarHBondContact O-N 3.38Å
34	A	98.2	Very high	94.3	Very high	26 Å²	26	85.2 Å²	85.2	22%	0.215	45%	0.448	C	S	.	.	H	α-helix	trans	-66.1	-46.7	176.7	0	0	0	0	0	111.4	T31 K32 R36 R37 L38	T31-A34 WeakPolarHBondContact O-CB 3.47Å; T31-A34 PolarHBondContact O-N 3.12Å; K32-A34 PolarHBondContact O-N 3.06Å; A34-R36 VanDerWaalsContact C-N 3.29Å; A34-R36 PolarHBondContact O-N 3.34Å; A34-R37 PolarHBondContact O-N 2.92Å; A34-R37 VanDerWaalsContact O-N 3.13Å; A34-L38 PolarHBondContact O-N 3.21Å
35	I	98.4	Very high	95.6	Very high	4 Å²	4	85 Å²	85	2%	0.021	45%	0.452	C	S	.	.	H	α-helix	trans	-59	-43.1	174.4	-63.8	169.6	0	0	0	110.4	I30 T31 K32 R37 L38 A39 Y52 T55 R56	I30-I35 HydrophobicContact CG2-CD1 4.24Å; I30-I35 HydrophobicContact CG2-CG1 3.95Å; T31-I35 PolarHBondContact O-N 3.28Å; T31-I35 VanDerWaalsContact O-N 3.13Å; K32-I35 PolarHBondContact O-N 3.45Å; I35-R37 PolarHBondContact O-N 3.08Å; I35-L38 PolarHBondContact O-N 3.02Å; I35-A39 PolarHBondContact O-N 3.27Å; I35-Y52 HydrophobicContact CB-CD1 4.27Å; I35-Y52 HydrophobicContact CD1-CD1 4.35Å; I35-Y52 WeakPolarHBondContact CD1-O 3.4Å; I35-Y52 HydrophobicContact CG2-CD1 4.09Å; I35-T55 HydrophobicContact CD1-CG2 4.46Å; I35-T55 HydrophobicContact CG1-CG2 4.23Å; I35-T55 HydrophobicContact CG2-CG2 4.01Å; I35-R56 HydrophobicContact CD1-CG 4.26Å
36	R	98.4	Very high	96.6	Very high	94 Å²	94	90.5 Å²	90.5	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-58.7	-46.3	175	-170.1	-177	-51.4	-65.9	-2.8	111.4	K32 P33 A34 L38 A39 R40 I47 Y52	K32-R36 WeakPolarHBondContact O-CB 3.5Å; K32-R36 PolarHBondContact O-N 3.38Å; P33-R36 PolarHBondContact O-N 3.11Å; A34-R36 VanDerWaalsContact C-N 3.29Å; A34-R36 PolarHBondContact O-N 3.34Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.09Å; R36-A39 PolarHBondContact O-N 3Å; R36-R40 HydrophobicContact CG-CG 4.33Å; R36-R40 VanDerWaalsContact O-CG 3.27Å; R36-R40 WeakPolarHBondContact O-CG 3.16Å; R36-R40 PolarHBondContact O-N 3.39Å; R36-I47 HydrophobicContact CB-CD1 4.45Å; R36-I47 HydrophobicContact CG-CD1 4.01Å; R36-Y52 PolarHBondContact NH1-OH 3Å; R36-Y52 PolarHBondContact NH2-OH 2.89Å
37	R	98.6	Very high	97	Very high	157 Å²	157	87.4 Å²	87.4	59%	0.592	45%	0.448	S	S	*	.	H	α-helix	trans	-60.1	-41.5	178.1	-74.4	-172.8	-62.3	-94.2	4.7	112.3	P33 A34 I35 R40 R41	P33-R37 WeakPolarHBondContact O-CG 3.42Å; P33-R37 PolarHBondContact O-N 3.38Å; A34-R37 PolarHBondContact O-N 2.92Å; A34-R37 VanDerWaalsContact O-N 3.13Å; I35-R37 PolarHBondContact O-N 3.08Å; R37-R40 PolarHBondContact O-N 3.38Å; R37-R41 PolarHBondContact O-N 3.3Å
38	L	98.4	Very high	97.3	Very high	100 Å²	100	89.2 Å²	89.2	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-61.8	-49.4	174.8	-68.2	172.6	0	0	0	111.5	A34 I35 R36 R40 R41 G42	A34-L38 PolarHBondContact O-N 3.21Å; I35-L38 PolarHBondContact O-N 3.02Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.09Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.26Å; L38-R41 WeakPolarHBondContact O-CB 3.4Å; L38-R41 PolarHBondContact O-N 2.66Å; L38-G42 PolarHBondContact O-N 2.79Å
39	A	98.3	Very high	97.6	Very high	22 Å²	22	87.6 Å²	87.6	18%	0.182	47%	0.47	C	S	.	.	H	α-helix	trans	-61.2	-39.1	177.5	0	0	0	0	0	112.4	I35 R36 G42 G43 V44 I47	I35-A39 PolarHBondContact O-N 3.27Å; R36-A39 PolarHBondContact O-N 3Å; A39-G42 CarbonylContact O-C 3.41Å; A39-G42 WeakPolarHBondContact O-CA 3.4Å; A39-G42 PolarHBondContact O-N 3.4Å; A39-G42 VanDerWaalsContact O-N 3.17Å; A39-G43 PolarHBondContact O-N 3.4Å; A39-V44 HydrophobicContact CB-CB 4.04Å; A39-V44 HydrophobicContact CB-CG2 4.13Å; A39-V44 VanDerWaalsContact O-CB 3.28Å; A39-V44 WeakPolarHBondContact O-CB 3.4Å; A39-V44 WeakPolarHBondContact O-CG2 3.45Å; A39-V44 PolarHBondContact O-N 3.34Å; A39-I47 HydrophobicContact CB-CD1 3.56Å; A39-I47 HydrophobicContact CB-CG1 4.29Å
40	R	98.4	Very high	97.8	Very high	118 Å²	118	91.8 Å²	91.8	45%	0.445	48%	0.479	S	S	.	.	H	α-helix	trans	-64.2	-41.2	174.6	-67.2	-48.5	179.4	-176.8	1.9	112.4	R36 R37 L38 G42 G43 V44 K45	R36-R40 HydrophobicContact CG-CG 4.33Å; R36-R40 VanDerWaalsContact O-CG 3.27Å; R36-R40 WeakPolarHBondContact O-CG 3.16Å; R36-R40 PolarHBondContact O-N 3.39Å; R37-R40 PolarHBondContact O-N 3.38Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.26Å; R40-G42 PolarHBondContact O-N 2.92Å; R40-G43 PolarHBondContact O-N 3.05Å; R40-V44 WeakPolarHBondContact CD-O 3.46Å; R40-V44 PolarHBondContact NH1-O 3.26Å; R40-K45 VanDerWaalsContact NH1-CA 3.29Å; R40-K45 PolarHBondContact NH1-O 2.99Å; R40-K45 PolarHBondContact NH2-O 3.43Å
41	R	98.5	Very high	98	Very high	211 Å²	211	92.3 Å²	92.3	80%	0.796	48%	0.481	S	S	*	.	H	α-helix	trans	-59.6	-34.7	173.3	-172.3	-177.4	-64.8	162.7	-2.9	111.4	R37 L38 G43	R37-R41 PolarHBondContact O-N 3.3Å; L38-R41 WeakPolarHBondContact O-CB 3.4Å; L38-R41 PolarHBondContact O-N 2.66Å; R41-G43 PolarHBondContact O-N 3.38Å
42	G	98.1	Very high	98	Very high	63 Å²	63	90.1 Å²	90.1	65%	0.649	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	9.8	171.9	0	0	0	0	0	115.6	L38 A39 R40 V44	L38-G42 PolarHBondContact O-N 2.79Å; A39-G42 CarbonylContact O-C 3.41Å; A39-G42 WeakPolarHBondContact O-CA 3.4Å; A39-G42 PolarHBondContact O-N 3.4Å; A39-G42 VanDerWaalsContact O-N 3.17Å; R40-G42 PolarHBondContact O-N 2.92Å; G42-V44 VanDerWaalsContact C-N 3.32Å; G42-V44 PolarHBondContact O-N 3.2Å
43	G	98.3	Very high	98	Very high	65 Å²	65	89.5 Å²	89.5	67%	0.67	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	9.1	176.8	0	0	0	0	0	115.5	A39 R40 R41 K45	A39-G43 PolarHBondContact O-N 3.4Å; R40-G43 PolarHBondContact O-N 3.05Å; R41-G43 PolarHBondContact O-N 3.38Å; G43-K45 PolarHBondContact O-N 3.15Å
44	V	98.3	Very high	98	Very high	62 Å²	62	92.1 Å²	92.1	38%	0.376	47%	0.471	S	S	.	.			trans	-69.5	124	-178.2	-179.2	0	0	0	0	110.2	A39 R40 G42 R46 I47	A39-V44 HydrophobicContact CB-CB 4.04Å; A39-V44 HydrophobicContact CB-CG2 4.13Å; A39-V44 VanDerWaalsContact O-CB 3.28Å; A39-V44 WeakPolarHBondContact O-CB 3.4Å; A39-V44 WeakPolarHBondContact O-CG2 3.45Å; A39-V44 PolarHBondContact O-N 3.34Å; R40-V44 WeakPolarHBondContact CD-O 3.46Å; R40-V44 PolarHBondContact NH1-O 3.26Å; G42-V44 VanDerWaalsContact C-N 3.32Å; G42-V44 PolarHBondContact O-N 3.2Å; V44-R46 WeakPolarHBondContact CG1-O 3.39Å; V44-I47 HydrophobicContact CG1-CG1 3.72Å
45	K	97.9	Very high	98	Very high	175 Å²	175	93 Å²	93	76%	0.761	47%	0.473	S	S	*	.			trans	-87.6	-36.9	-177.3	-170.8	175	-176.9	175.3	0	114.6	R40 G43	R40-K45 VanDerWaalsContact NH1-CA 3.29Å; R40-K45 PolarHBondContact NH1-O 2.99Å; R40-K45 PolarHBondContact NH2-O 3.43Å; G43-K45 PolarHBondContact O-N 3.15Å
46	R	98	Very high	98	Very high	223 Å²	223	93.4 Å²	93.4	84%	0.842	47%	0.474	S	S	*	.			trans	-134.7	145.9	175.7	-67.2	-172.1	-177.7	-84.1	1.7	109.5	V44	V44-R46 WeakPolarHBondContact CG1-O 3.39Å
47	I	97.9	Very high	97.9	Very high	33 Å²	33	90.7 Å²	90.7	17%	0.169	48%	0.476	C	S	.	.			trans	-131.4	125.8	-175	-56.5	169.3	0	0	0	108	R36 A39 V44 I51 Y52	R36-I47 HydrophobicContact CB-CD1 4.45Å; R36-I47 HydrophobicContact CG-CD1 4.01Å; A39-I47 HydrophobicContact CB-CD1 3.56Å; A39-I47 HydrophobicContact CB-CG1 4.29Å; V44-I47 HydrophobicContact CG1-CG1 3.72Å; I47-I51 HydrophobicContact CG2-CB 3.87Å; I47-I51 HydrophobicContact CG2-CG1 4.23Å; I47-I51 HydrophobicContact CG2-CG2 3.95Å; I47-Y52 HydrophobicContact CG2-CE1 4.49Å
48	S	97.9	Very high	97.9	Very high	70 Å²	70	87.5 Å²	87.5	49%	0.49	47%	0.474	S	S	.	.			trans	-68.8	153	173.8	173	0	0	0	0	111.5	L50 I51	S48-L50 PolarHBondContact O-N 3.42Å; S48-I51 PolarHBondContact O-N 2.89Å
49	G	96.9	Very high	97.8	Very high	54 Å²	54	85.2 Å²	85.2	56%	0.557	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-29.1	178.2	0	0	0	0	0	114.2	I51 Y52	G49-I51 VanDerWaalsContact C-N 3.32Å; G49-I51 PolarHBondContact O-N 2.86Å; G49-Y52 WeakPolarHBondContact O-CD2 3.4Å
50	L	97.3	Very high	97.7	Very high	145 Å²	145	89 Å²	89	76%	0.759	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.9	-177.9	-61	175.5	0	0	0	113.1	S48 Y52 E53 E54	S48-L50 PolarHBondContact O-N 3.42Å; L50-Y52 PolarHBondContact O-N 2.87Å; L50-Y52 VanDerWaalsContact O-N 3.11Å; L50-E53 PolarHBondContact O-N 3.38Å; L50-E54 PolarHBondContact O-N 3.02Å
51	I	98.1	Very high	97.7	Very high	71 Å²	71	87.1 Å²	87.1	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-24.5	-175.8	-63.5	-63.8	0	0	0	112.5	I47 S48 G49 T55	I47-I51 HydrophobicContact CG2-CB 3.87Å; I47-I51 HydrophobicContact CG2-CG1 4.23Å; I47-I51 HydrophobicContact CG2-CG2 3.95Å; S48-I51 PolarHBondContact O-N 2.89Å; G49-I51 VanDerWaalsContact C-N 3.32Å; G49-I51 PolarHBondContact O-N 2.86Å; I51-T55 WeakPolarHBondContact CG2-OG1 3.36Å; I51-T55 VanDerWaalsContact O-CB 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.31Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.37Å
52	Y	97.3	Very high	97.7	Very high	20 Å²	20	80 Å²	80	8%	0.078	45%	0.451	C	S	.	.	H	α-helix	trans	-67.5	-42.4	-178.1	-52.7	-63.7	0	0	0	113	K32 I35 R36 I47 G49 L50 R56	K32-Y52 HydrophobicContact CB-CD1 3.89Å; K32-Y52 HydrophobicContact CB-CE1 3.96Å; K32-Y52 HydrophobicContact CB-CG 4.3Å; K32-Y52 HydrophobicContact CD-CD1 4.42Å; K32-Y52 HydrophobicContact CD-CD2 3.77Å; K32-Y52 HydrophobicContact CD-CE2 4Å; K32-Y52 HydrophobicContact CD-CG 4.03Å; K32-Y52 HydrophobicContact CG-CD1 3.86Å; K32-Y52 HydrophobicContact CG-CD2 4.04Å; K32-Y52 HydrophobicContact CG-CE1 4.28Å; K32-Y52 HydrophobicContact CG-CE2 4.47Å; K32-Y52 HydrophobicContact CG-CG 3.75Å; I35-Y52 HydrophobicContact CB-CD1 4.27Å; I35-Y52 HydrophobicContact CD1-CD1 4.35Å; I35-Y52 WeakPolarHBondContact CD1-O 3.4Å; I35-Y52 HydrophobicContact CG2-CD1 4.09Å; R36-Y52 PolarHBondContact NH1-OH 3Å; R36-Y52 PolarHBondContact NH2-OH 2.89Å; I47-Y52 HydrophobicContact CG2-CE1 4.49Å; G49-Y52 WeakPolarHBondContact O-CD2 3.4Å; L50-Y52 PolarHBondContact O-N 2.87Å; L50-Y52 VanDerWaalsContact O-N 3.11Å; Y52-R56 WeakPolarHBondContact O-CG 3.47Å; Y52-R56 PolarHBondContact O-N 3.02Å; Y52-R56 PolarHBondContact O-NH1 3.46Å
53	E	96.9	Very high	97.6	Very high	96 Å²	96	80.6 Å²	80.6	45%	0.449	44%	0.438	S	S	.	.	H	α-helix	trans	-75.7	-38.1	175.7	-61.2	-49.9	141.1	0	0	110.9	Q28 L50 T55 R56 G57	Q28-E53 PolarHBondContact NE2-OE2 2.86Å; Q28-E53 VanDerWaalsContact NE2-OE2 3.12Å; L50-E53 PolarHBondContact O-N 3.38Å; E53-T55 VanDerWaalsContact C-N 3.34Å; E53-T55 PolarHBondContact O-N 3.37Å; E53-R56 WeakPolarHBondContact O-CB 3.33Å; E53-R56 PolarHBondContact O-N 3.5Å; E53-R56 VanDerWaalsContact O-N 3.09Å; E53-R56 IonicContact OE1-CZ 3.66Å; E53-R56 IonicContact OE1-NH1 2.64Å; E53-R56 PolarHBondContact OE1-NH1 3.46Å; E53-R56 IonicContact OE2-CZ 4Å; E53-R56 IonicContact OE2-NH1 3.17Å; E53-R56 PolarHBondContact OE2-NH1 2.88Å; E53-G57 PolarHBondContact O-N 2.96Å
54	E	97.8	Very high	97.6	Very high	126 Å²	126	81.5 Å²	81.5	59%	0.589	43%	0.425	S	S	*	.	H	α-helix	trans	-57.4	-47.2	175.7	-170.6	60.4	-155.1	0	0	111.8	L50 R56 G57 V58	L50-E54 PolarHBondContact O-N 3.02Å; E54-R56 PolarHBondContact O-N 3.21Å; E54-G57 PolarHBondContact O-N 3.01Å; E54-G57 VanDerWaalsContact O-N 3.15Å; E54-V58 WeakPolarHBondContact O-CG2 3.45Å; E54-V58 PolarHBondContact O-N 3.42Å
55	T	98.3	Very high	97.6	Very high	44 Å²	44	81.6 Å²	81.6	27%	0.27	42%	0.423	S	S	.	.	H	α-helix	trans	-62.7	-34.5	178.9	-54.4	0	0	0	0	111.5	I35 I51 E53 L59	I35-T55 HydrophobicContact CD1-CG2 4.46Å; I35-T55 HydrophobicContact CG1-CG2 4.23Å; I35-T55 HydrophobicContact CG2-CG2 4.01Å; I51-T55 WeakPolarHBondContact CG2-OG1 3.36Å; I51-T55 VanDerWaalsContact O-CB 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.31Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.37Å; E53-T55 VanDerWaalsContact C-N 3.34Å; E53-T55 PolarHBondContact O-N 3.37Å; T55-L59 VanDerWaalsContact O-CB 3.23Å; T55-L59 WeakPolarHBondContact O-CB 3.3Å; T55-L59 PolarHBondContact O-N 3.45Å
56	R	97.7	Very high	97.6	Very high	12 Å²	12	73.7 Å²	73.7	5%	0.045	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-41.7	176	-77.8	-176.4	-166	116.2	-23.7	111.8	I27 Q28 I30 I35 Y52 E53 E54 L59 K60	I27-R56 HydrophobicContact CD1-CB 4.29Å; I27-R56 HydrophobicContact CG1-CB 3.72Å; I27-R56 HydrophobicContact CG1-CG 4.04Å; I27-R56 WeakPolarHBondContact O-CD 3.45Å; I27-R56 PolarHBondContact O-NE 3.4Å; Q28-R56 VanDerWaalsContact OE1-CZ 3.31Å; I30-R56 HydrophobicContact CB-CG 4.4Å; I30-R56 VanDerWaalsContact O-CZ 3.32Å; I30-R56 PolarHBondContact O-NE 3.13Å; I30-R56 PolarHBondContact O-NH2 3.37Å; I30-R56 VanDerWaalsContact O-NH2 3.11Å; I35-R56 HydrophobicContact CD1-CG 4.26Å; Y52-R56 WeakPolarHBondContact O-CG 3.47Å; Y52-R56 PolarHBondContact O-N 3.02Å; Y52-R56 PolarHBondContact O-NH1 3.46Å; E53-R56 WeakPolarHBondContact O-CB 3.33Å; E53-R56 PolarHBondContact O-N 3.5Å; E53-R56 VanDerWaalsContact O-N 3.09Å; E53-R56 IonicContact OE1-CZ 3.66Å; E53-R56 IonicContact OE1-NH1 2.64Å; E53-R56 PolarHBondContact OE1-NH1 3.46Å; E53-R56 IonicContact OE2-CZ 4Å; E53-R56 IonicContact OE2-NH1 3.17Å; E53-R56 PolarHBondContact OE2-NH1 2.88Å; E54-R56 PolarHBondContact O-N 3.21Å; R56-L59 PolarHBondContact O-N 3.12Å; R56-K60 WeakPolarHBondContact O-CB 3.36Å; R56-K60 PolarHBondContact O-N 2.94Å
57	G	97.1	Very high	97.6	Very high	38 Å²	38	67.7 Å²	67.7	39%	0.392	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-51.8	174.1	0	0	0	0	0	111.6	E53 E54 L59 K60 V61	E53-G57 PolarHBondContact O-N 2.96Å; E54-G57 PolarHBondContact O-N 3.01Å; E54-G57 VanDerWaalsContact O-N 3.15Å; G57-L59 PolarHBondContact O-N 3.23Å; G57-K60 PolarHBondContact O-N 3.02Å; G57-V61 WeakPolarHBondContact O-CG2 3.17Å; G57-V61 PolarHBondContact O-N 3.29Å; G57-V61 VanDerWaalsContact O-N 3.12Å
58	V	97.9	Very high	97.6	Very high	90 Å²	90	72.6 Å²	72.6	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-44.3	178.3	174.8	0	0	0	0	111.9	E54 K60 V61 F62	E54-V58 WeakPolarHBondContact O-CG2 3.45Å; E54-V58 PolarHBondContact O-N 3.42Å; V58-K60 VanDerWaalsContact C-N 3.33Å; V58-K60 PolarHBondContact O-N 3.42Å; V58-V61 PolarHBondContact O-N 3.44Å; V58-F62 WeakPolarHBondContact O-CB 3.48Å; V58-F62 PolarHBondContact O-N 3.38Å
59	L	97.9	Very high	97.6	Very high	52 Å²	52	70.3 Å²	70.3	27%	0.272	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-40.2	178.7	177.2	61.5	0	0	0	112	I30 T55 R56 G57 F62 L63	I30-L59 HydrophobicContact CD1-CD2 4.14Å; I30-L59 HydrophobicContact CG1-CD2 3.84Å; I30-L59 HydrophobicContact CG2-CD2 4.08Å; T55-L59 VanDerWaalsContact O-CB 3.23Å; T55-L59 WeakPolarHBondContact O-CB 3.3Å; T55-L59 PolarHBondContact O-N 3.45Å; R56-L59 PolarHBondContact O-N 3.12Å; G57-L59 PolarHBondContact O-N 3.23Å; L59-F62 PolarHBondContact O-N 2.94Å; L59-L63 HydrophobicContact CD1-CD1 4.06Å; L59-L63 HydrophobicContact CD1-CG 4.15Å; L59-L63 HydrophobicContact CG-CD1 4.14Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.34Å
60	K	96.4	Very high	97.6	Very high	102 Å²	102	67.9 Å²	67.9	44%	0.443	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-50.8	178	-176.7	176.3	174.5	-179.9	0	110.9	I27 R56 G57 V58 F62 L63 E64	I27-K60 HydrophobicContact CD1-CB 4.08Å; R56-K60 WeakPolarHBondContact O-CB 3.36Å; R56-K60 PolarHBondContact O-N 2.94Å; G57-K60 PolarHBondContact O-N 3.02Å; V58-K60 VanDerWaalsContact C-N 3.33Å; V58-K60 PolarHBondContact O-N 3.42Å; K60-F62 VanDerWaalsContact C-N 3.3Å; K60-F62 PolarHBondContact O-N 3.18Å; K60-L63 PolarHBondContact O-N 2.98Å; K60-E64 WeakPolarHBondContact CE-OE1 3.23Å; K60-E64 HydrophobicContact CG-CG 4.42Å; K60-E64 WeakPolarHBondContact CG-OE1 3.48Å; K60-E64 WeakPolarHBondContact O-CB 3.35Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.07Å
61	V	97.5	Very high	97.7	Very high	78 Å²	78	63.4 Å²	63.4	47%	0.473	33%	0.326	S	S	.	.	H	α-helix	trans	-59.3	-42.8	178.2	174.6	0	0	0	0	111.3	G57 V58 L63 E64 N65	G57-V61 WeakPolarHBondContact O-CG2 3.17Å; G57-V61 PolarHBondContact O-N 3.29Å; G57-V61 VanDerWaalsContact O-N 3.12Å; V58-V61 PolarHBondContact O-N 3.44Å; V61-L63 PolarHBondContact O-N 3.32Å; V61-E64 PolarHBondContact O-N 3.38Å; V61-N65 PolarHBondContact O-N 2.85Å; V61-N65 VanDerWaalsContact O-N 3.13Å; V61-N65 PolarHBondContact O-ND2 2.95Å
62	F	97.6	Very high	97.7	Very high	62 Å²	62	63.9 Å²	63.9	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-49.7	176.7	173.5	-108.2	0	0	0	112	V58 L59 K60 N65 V66 L91	V58-F62 WeakPolarHBondContact O-CB 3.48Å; V58-F62 PolarHBondContact O-N 3.38Å; L59-F62 PolarHBondContact O-N 2.94Å; K60-F62 VanDerWaalsContact C-N 3.3Å; K60-F62 PolarHBondContact O-N 3.18Å; F62-N65 PolarHBondContact O-N 2.99Å; F62-V66 HydrophobicContact CD2-CG2 4.24Å; F62-V66 HydrophobicContact CE1-CG2 4.35Å; F62-V66 HydrophobicContact CE2-CG2 3.66Å; F62-V66 HydrophobicContact CZ-CG2 3.75Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.05Å; F62-V66 VanDerWaalsContact O-N 3.15Å; F62-L91 HydrophobicContact CZ-CD2 4.14Å
63	L	97.3	Very high	97.7	Very high	75 Å²	75	66.8 Å²	66.8	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-67.3	-40.1	-179.3	-70.6	174.7	0	0	0	112.2	L59 K60 V61 N65 V66 I67	L59-L63 HydrophobicContact CD1-CD1 4.06Å; L59-L63 HydrophobicContact CD1-CG 4.15Å; L59-L63 HydrophobicContact CG-CD1 4.14Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.34Å; K60-L63 PolarHBondContact O-N 2.98Å; V61-L63 PolarHBondContact O-N 3.32Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.17Å; L63-V66 PolarHBondContact O-N 3.44Å; L63-I67 HydrophobicContact CB-CD1 4.16Å; L63-I67 VanDerWaalsContact O-CB 3.23Å; L63-I67 WeakPolarHBondContact O-CB 3.47Å; L63-I67 WeakPolarHBondContact O-CD1 3.23Å; L63-I67 WeakPolarHBondContact O-CG1 3.17Å; L63-I67 PolarHBondContact O-N 3.27Å
64	E	97.5	Very high	97.8	Very high	83 Å²	83	62.5 Å²	62.5	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-57.6	-42.7	176.2	-77.1	174.1	177.5	0	0	111.7	K60 V61 R68	K60-E64 WeakPolarHBondContact CE-OE1 3.23Å; K60-E64 HydrophobicContact CG-CG 4.42Å; K60-E64 WeakPolarHBondContact CG-OE1 3.48Å; K60-E64 WeakPolarHBondContact O-CB 3.35Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.07Å; V61-E64 PolarHBondContact O-N 3.38Å; E64-R68 WeakPolarHBondContact O-CB 3.49Å; E64-R68 PolarHBondContact O-N 3.42Å
65	N	97.8	Very high	97.8	Very high	64 Å²	64	62.9 Å²	62.9	34%	0.342	33%	0.325	S	S	.	.	H	α-helix	trans	-68.5	-47.3	179.1	-69	-20.7	0	0	0	112.4	V61 F62 L63 R68 D69 Q94	V61-N65 PolarHBondContact O-N 2.85Å; V61-N65 VanDerWaalsContact O-N 3.13Å; V61-N65 PolarHBondContact O-ND2 2.95Å; F62-N65 PolarHBondContact O-N 2.99Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.17Å; N65-R68 PolarHBondContact OD1-NH1 2.87Å; N65-D69 PolarHBondContact O-N 3.29Å; N65-Q94 PolarHBondContact O-NE2 2.91Å
66	V	98	Very high	97.7	Very high	10 Å²	10	68.5 Å²	68.5	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-65.3	-44.3	179.9	175.7	0	0	0	0	111.4	F62 L63 D69 A70 V87 A90 L91 Q94	F62-V66 HydrophobicContact CD2-CG2 4.24Å; F62-V66 HydrophobicContact CE1-CG2 4.35Å; F62-V66 HydrophobicContact CE2-CG2 3.66Å; F62-V66 HydrophobicContact CZ-CG2 3.75Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.05Å; F62-V66 VanDerWaalsContact O-N 3.15Å; L63-V66 PolarHBondContact O-N 3.44Å; V66-D69 PolarHBondContact O-N 3.38Å; V66-A70 WeakPolarHBondContact O-CB 3.44Å; V66-A70 PolarHBondContact O-N 2.98Å; V66-V87 HydrophobicContact CG1-CG1 4.35Å; V66-A90 HydrophobicContact CG1-CB 4.35Å; V66-L91 HydrophobicContact CG1-CD2 3.95Å; V66-L91 HydrophobicContact CG1-CG 4.06Å; V66-L91 HydrophobicContact CG2-CD2 3.76Å; V66-Q94 VanDerWaalsContact CG2-OE1 3.26Å
67	I	97.8	Very high	97.6	Very high	97 Å²	97	70.7 Å²	70.7	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-38.4	-177.9	-66.3	168.1	0	0	0	110.6	L63 D69 A70 V71	L63-I67 HydrophobicContact CB-CD1 4.16Å; L63-I67 VanDerWaalsContact O-CB 3.23Å; L63-I67 WeakPolarHBondContact O-CB 3.47Å; L63-I67 WeakPolarHBondContact O-CD1 3.23Å; L63-I67 WeakPolarHBondContact O-CG1 3.17Å; L63-I67 PolarHBondContact O-N 3.27Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-D69 PolarHBondContact O-N 3.4Å; I67-A70 PolarHBondContact O-N 3.17Å; I67-V71 HydrophobicContact CG2-CG2 4.1Å; I67-V71 WeakPolarHBondContact O-CB 3.37Å; I67-V71 VanDerWaalsContact O-CG2 3.3Å; I67-V71 WeakPolarHBondContact O-CG2 3.45Å; I67-V71 PolarHBondContact O-N 2.66Å
68	R	98.1	Very high	97.7	Very high	136 Å²	136	78.1 Å²	78.1	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-55.9	-49.9	175.7	-173.5	-178	-58.6	109.9	1.7	111.1	E64 N65 V71 T72	E64-R68 WeakPolarHBondContact O-CB 3.49Å; E64-R68 PolarHBondContact O-N 3.42Å; N65-R68 PolarHBondContact OD1-NH1 2.87Å; R68-V71 PolarHBondContact O-N 3.46Å; R68-T72 PolarHBondContact O-N 2.7Å; R68-T72 VanDerWaalsContact O-N 3.09Å; R68-T72 PolarHBondContact O-OG1 2.64Å
69	D	97.8	Very high	97.6	Very high	21 Å²	21	76.9 Å²	76.9	11%	0.112	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-40.9	178.5	-71.3	-9.7	0	0	0	112.1	N65 V66 I67 V71 T72 Y73 A90 R93 Q94	N65-D69 PolarHBondContact O-N 3.29Å; V66-D69 PolarHBondContact O-N 3.38Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-D69 PolarHBondContact O-N 3.4Å; D69-V71 PolarHBondContact O-N 3.09Å; D69-T72 WeakPolarHBondContact O-CB 2.95Å; D69-T72 PolarHBondContact O-N 3.28Å; D69-Y73 WeakPolarHBondContact O-CD2 3.47Å; D69-Y73 PolarHBondContact O-N 3.15Å; D69-Y73 VanDerWaalsContact O-N 3.11Å; D69-A90 HydrophobicContact CB-CB 3.64Å; D69-R93 IonicContact OD1-CZ 3.94Å; D69-R93 IonicContact OD1-NH1 2.9Å; D69-R93 PolarHBondContact OD1-NH1 2.78Å; D69-R93 IonicContact OD2-CZ 3.92Å; D69-R93 IonicContact OD2-NH1 2.77Å; D69-R93 PolarHBondContact OD2-NH1 3.31Å; D69-Q94 PolarHBondContact OD2-NE2 3.35Å
70	A	98.3	Very high	97.6	Very high	3 Å²	3	84.4 Å²	84.4	3%	0.025	42%	0.415	C	S	.	.	H	α-helix	trans	-64.4	-40.2	179	0	0	0	0	0	112.3	V66 I67 T72 Y73 T74 V82 D86 V87 A90	V66-A70 WeakPolarHBondContact O-CB 3.44Å; V66-A70 PolarHBondContact O-N 2.98Å; I67-A70 PolarHBondContact O-N 3.17Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-Y73 PolarHBondContact O-N 2.96Å; A70-T74 PolarHBondContact O-N 3.4Å; A70-T74 PolarHBondContact O-OG1 3.13Å; A70-V82 HydrophobicContact CB-CG1 4.38Å; A70-D86 HydrophobicContact CB-CB 4.37Å; A70-V87 HydrophobicContact CB-CG2 4.17Å; A70-A90 HydrophobicContact CB-CB 4.04Å
71	V	98.3	Very high	97.6	Very high	52 Å²	52	84.5 Å²	84.5	32%	0.315	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-40.1	174.3	172	0	0	0	0	110.5	I67 R68 D69 Y73 T74 E75 V82	I67-V71 HydrophobicContact CG2-CG2 4.1Å; I67-V71 WeakPolarHBondContact O-CB 3.37Å; I67-V71 VanDerWaalsContact O-CG2 3.3Å; I67-V71 WeakPolarHBondContact O-CG2 3.45Å; I67-V71 PolarHBondContact O-N 2.66Å; R68-V71 PolarHBondContact O-N 3.46Å; D69-V71 PolarHBondContact O-N 3.09Å; V71-Y73 VanDerWaalsContact C-N 3.33Å; V71-Y73 PolarHBondContact O-N 3.13Å; V71-T74 WeakPolarHBondContact O-CB 3.32Å; V71-T74 PolarHBondContact O-N 2.94Å; V71-T74 VanDerWaalsContact O-N 3.12Å; V71-E75 HydrophobicContact CG1-CG 4.22Å; V71-E75 WeakPolarHBondContact O-CG 3.28Å; V71-E75 PolarHBondContact O-N 2.72Å; V71-V82 HydrophobicContact CG2-CG2 4.45Å
72	T	98	Very high	97.6	Very high	80 Å²	80	84.3 Å²	84.3	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-58.2	-42.4	174.7	-57.6	0	0	0	0	112.5	R68 D69 A70 H76	R68-T72 PolarHBondContact O-N 2.7Å; R68-T72 VanDerWaalsContact O-N 3.09Å; R68-T72 PolarHBondContact O-OG1 2.64Å; D69-T72 WeakPolarHBondContact O-CB 2.95Å; D69-T72 PolarHBondContact O-N 3.28Å; A70-T72 VanDerWaalsContact C-N 3.34Å; T72-H76 WeakPolarHBondContact O-CB 3.22Å; T72-H76 PolarHBondContact O-N 3.43Å
73	Y	97.8	Very high	97.6	Very high	82 Å²	82	84.5 Å²	84.5	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-64.1	-42.2	174.1	-73.1	-64.7	0	0	0	112.4	D69 A70 V71 E75 H76 A77 D86 A90	D69-Y73 WeakPolarHBondContact O-CD2 3.47Å; D69-Y73 PolarHBondContact O-N 3.15Å; D69-Y73 VanDerWaalsContact O-N 3.11Å; A70-Y73 PolarHBondContact O-N 2.96Å; V71-Y73 VanDerWaalsContact C-N 3.33Å; V71-Y73 PolarHBondContact O-N 3.13Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-E75 PolarHBondContact O-N 3.44Å; Y73-H76 PolarHBondContact O-N 3.41Å; Y73-A77 PolarHBondContact O-N 2.96Å; Y73-D86 WeakPolarHBondContact CB-OD1 3.38Å; Y73-A90 HydrophobicContact CE2-CB 4.4Å
74	T	98.3	Very high	97.6	Very high	6 Å²	6	83.5 Å²	83.5	4%	0.037	43%	0.432	C	S	.	.	H	α-helix	trans	-60.8	-44.7	178.9	-53.1	0	0	0	0	111.4	A70 V71 A77 K78 C79 T81 V82 D86	A70-T74 PolarHBondContact O-N 3.4Å; A70-T74 PolarHBondContact O-OG1 3.13Å; V71-T74 WeakPolarHBondContact O-CB 3.32Å; V71-T74 PolarHBondContact O-N 2.94Å; V71-T74 VanDerWaalsContact O-N 3.12Å; T74-A77 PolarHBondContact O-N 3.34Å; T74-K78 PolarHBondContact O-N 3.32Å; T74-C79 HydrophobicContact CG2-CB 4.05Å; T74-C79 PolarHBondContact O-N 3.47Å; T74-C79 VanDerWaalsContact O-N 3.08Å; T74-T81 WeakPolarHBondContact CG2-O 3.28Å; T74-V82 HydrophobicContact CG2-CG2 4.3Å; T74-D86 PolarHBondContact OG1-OD2 3.17Å
75	E	97.9	Very high	97.6	Very high	133 Å²	133	82.1 Å²	82.1	62%	0.621	43%	0.426	S	S	*	.	H	α-helix	trans	-66.7	-40.8	177.8	-72.2	176.9	168.5	0	0	111.8	V71 Y73 A77 K78	V71-E75 HydrophobicContact CG1-CG 4.22Å; V71-E75 WeakPolarHBondContact O-CG 3.28Å; V71-E75 PolarHBondContact O-N 2.72Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-E75 PolarHBondContact O-N 3.44Å; E75-A77 VanDerWaalsContact C-N 3.25Å; E75-A77 PolarHBondContact O-N 3.48Å; E75-K78 WeakPolarHBondContact O-CA 3.48Å; E75-K78 PolarHBondContact O-N 3.11Å
76	H	97.2	Very high	97.6	Very high	163 Å²	163	79.9 Å²	79.9	76%	0.755	41%	0.414	S	S	*	.	H	α-helix	trans	-59.8	-37.7	175.3	-177.6	68.4	0	0	0	112	T72 Y73 K78	T72-H76 WeakPolarHBondContact O-CB 3.22Å; T72-H76 PolarHBondContact O-N 3.43Å; Y73-H76 PolarHBondContact O-N 3.41Å; H76-K78 PolarHBondContact O-N 3.48Å
77	A	96.4	Very high	97.6	Very high	57 Å²	57	81.9 Å²	81.9	47%	0.471	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.5	174.4	0	0	0	0	0	113.9	Y73 T74 E75 C79	Y73-A77 PolarHBondContact O-N 2.96Å; T74-A77 PolarHBondContact O-N 3.34Å; E75-A77 VanDerWaalsContact C-N 3.25Å; E75-A77 PolarHBondContact O-N 3.48Å; A77-C79 HydrophobicContact CB-CB 4.45Å; A77-C79 PolarHBondContact O-N 3.11Å
78	K	97.3	Very high	97.6	Very high	195 Å²	195	78.3 Å²	78.3	85%	0.848	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	27.5	-173.3	-55.1	177.7	-177.1	175.8	0	112.9	T74 E75 H76	T74-K78 PolarHBondContact O-N 3.32Å; E75-K78 WeakPolarHBondContact O-CA 3.48Å; E75-K78 PolarHBondContact O-N 3.11Å; H76-K78 PolarHBondContact O-N 3.48Å
79	C	97.3	Very high	97.5	Very high	63 Å²	63	77.1 Å²	77.1	43%	0.426	41%	0.405	S	S	.	.			trans	-93.2	157.2	177.2	-67.1	0	0	0	0	110.5	T74 A77	T74-C79 HydrophobicContact CG2-CB 4.05Å; T74-C79 PolarHBondContact O-N 3.47Å; T74-C79 VanDerWaalsContact O-N 3.08Å; A77-C79 HydrophobicContact CB-CB 4.45Å; A77-C79 PolarHBondContact O-N 3.11Å
80	K	97	Very high	97.5	Very high	211 Å²	211	76.1 Å²	76.1	92%	0.917	40%	0.4	S	S	*	.	S	Bend	trans	-104.4	-3.7	172.5	-64.9	-176.2	179.8	179.2	0	113.1
81	T	97.5	Very high	97.5	Very high	104 Å²	104	76.9 Å²	76.9	64%	0.638	40%	0.403	S	S	*	.	S	Bend	trans	-120	118.8	-173.9	-54	0	0	0	0	108.3	T74 T83	T74-T81 WeakPolarHBondContact CG2-O 3.28Å; T81-T83 PolarHBondContact O-N 2.89Å
82	V	97.7	Very high	97.4	Very high	74 Å²	74	80.8 Å²	80.8	45%	0.448	42%	0.416	S	S	.	.			trans	-68.3	124.5	173.1	-177.5	0	0	0	0	108.7	A70 V71 T74 D86 V87	A70-V82 HydrophobicContact CB-CG1 4.38Å; V71-V82 HydrophobicContact CG2-CG2 4.45Å; T74-V82 HydrophobicContact CG2-CG2 4.3Å; V82-D86 HydrophobicContact CG1-CB 4.15Å; V82-V87 HydrophobicContact CG1-CG2 4.19Å
83	T	97.2	Very high	97.4	Very high	65 Å²	65	85 Å²	85	40%	0.399	42%	0.423	S	S	.	.			trans	-92.7	166.4	178.4	71.2	0	0	0	0	111.5	T81 M85 D86	T81-T83 PolarHBondContact O-N 2.89Å; T83-M85 PolarHBondContact O-N 3.24Å; T83-M85 PolarHBondContact OG1-N 3.03Å; T83-D86 WeakPolarHBondContact CB-OD2 3.16Å; T83-D86 PolarHBondContact N-OD2 2.64Å; T83-D86 PolarHBondContact O-N 2.88Å; T83-D86 PolarHBondContact OG1-N 3.35Å; T83-D86 PolarHBondContact OG1-OD2 3.12Å
84	A	96.9	Very high	97.3	Very high	54 Å²	54	84 Å²	84	45%	0.446	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-35.5	171.5	0	0	0	0	0	111.7	V87 V88	A84-V87 PolarHBondContact O-N 3.42Å; A84-V88 WeakPolarHBondContact O-CG2 3.39Å; A84-V88 PolarHBondContact O-N 3.23Å
85	M	97.2	Very high	97.2	Very high	55 Å²	55	86.9 Å²	86.9	27%	0.271	45%	0.453	S	S	.	.	H	α-helix	trans	-66.9	-37.4	-179.8	-70.4	-54.4	-62.3	0	0	112.7	T83 V87 V88 Y89	T83-M85 PolarHBondContact O-N 3.24Å; T83-M85 PolarHBondContact OG1-N 3.03Å; M85-V87 PolarHBondContact O-N 3.35Å; M85-V88 PolarHBondContact O-N 3.03Å; M85-V88 VanDerWaalsContact O-N 3.16Å; M85-Y89 HydrophobicContact CB-CD2 4.48Å; M85-Y89 HydrophobicContact CB-CE2 4.09Å; M85-Y89 HydrophobicContact CE-CD1 4.42Å; M85-Y89 HydrophobicContact CE-CE1 3.57Å; M85-Y89 HydrophobicContact CE-CE2 4.02Å; M85-Y89 VanDerWaalsContact CE-OH 3.23Å; M85-Y89 WeakPolarHBondContact CE-OH 3.27Å; M85-Y89 WeakPolarHBondContact O-CB 3.38Å; M85-Y89 WeakPolarHBondContact O-CD2 3.39Å; M85-Y89 VanDerWaalsContact O-CG 3.26Å; M85-Y89 PolarHBondContact O-N 3.25Å
86	D	97.6	Very high	97.1	Very high	16 Å²	16	87.5 Å²	87.5	9%	0.086	45%	0.449	C	S	.	.	H	α-helix	trans	-58.4	-40.1	175.2	-61	-47.6	0	0	0	111.3	A70 Y73 T74 V82 T83 A90	A70-D86 HydrophobicContact CB-CB 4.37Å; Y73-D86 WeakPolarHBondContact CB-OD1 3.38Å; T74-D86 PolarHBondContact OG1-OD2 3.17Å; V82-D86 HydrophobicContact CG1-CB 4.15Å; T83-D86 WeakPolarHBondContact CB-OD2 3.16Å; T83-D86 PolarHBondContact N-OD2 2.64Å; T83-D86 PolarHBondContact O-N 2.88Å; T83-D86 PolarHBondContact OG1-N 3.35Å; T83-D86 PolarHBondContact OG1-OD2 3.12Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.42Å
87	V	97.8	Very high	97	Very high	52 Å²	52	83.3 Å²	83.3	32%	0.315	44%	0.435	S	S	.	.	H	α-helix	trans	-70.7	-42.1	176.4	-178.3	0	0	0	0	111.4	V66 A70 V82 A84 M85 Y89 A90 L91	V66-V87 HydrophobicContact CG1-CG1 4.35Å; A70-V87 HydrophobicContact CB-CG2 4.17Å; V82-V87 HydrophobicContact CG1-CG2 4.19Å; A84-V87 PolarHBondContact O-N 3.42Å; M85-V87 PolarHBondContact O-N 3.35Å; V87-Y89 VanDerWaalsContact C-N 3.32Å; V87-Y89 PolarHBondContact O-N 2.79Å; V87-A90 PolarHBondContact O-N 3.21Å; V87-L91 HydrophobicContact CG1-CD1 3.98Å; V87-L91 HydrophobicContact CG1-CG 4.38Å; V87-L91 WeakPolarHBondContact O-CB 3.4Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.06Å; V87-L91 PolarHBondContact O-N 3.32Å
88	V	97.9	Very high	97	Very high	22 Å²	22	84 Å²	84	13%	0.133	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-42.6	176.4	170.6	0	0	0	0	110.8	A84 M85 L91 K92 F101	A84-V88 WeakPolarHBondContact O-CG2 3.39Å; A84-V88 PolarHBondContact O-N 3.23Å; M85-V88 PolarHBondContact O-N 3.03Å; M85-V88 VanDerWaalsContact O-N 3.16Å; V88-L91 PolarHBondContact O-N 3.48Å; V88-K92 WeakPolarHBondContact O-CB 3.45Å; V88-K92 PolarHBondContact O-N 2.96Å; V88-F101 HydrophobicContact CG2-CB 3.75Å
89	Y	97	Very high	96.9	Very high	112 Å²	112	84 Å²	84	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-68.9	-41.2	177.2	-63.6	-34.6	0	0	0	112.7	M85 V87 L91 K92 R93	M85-Y89 HydrophobicContact CB-CD2 4.48Å; M85-Y89 HydrophobicContact CB-CE2 4.09Å; M85-Y89 HydrophobicContact CE-CD1 4.42Å; M85-Y89 HydrophobicContact CE-CE1 3.57Å; M85-Y89 HydrophobicContact CE-CE2 4.02Å; M85-Y89 VanDerWaalsContact CE-OH 3.23Å; M85-Y89 WeakPolarHBondContact CE-OH 3.27Å; M85-Y89 WeakPolarHBondContact O-CB 3.38Å; M85-Y89 WeakPolarHBondContact O-CD2 3.39Å; M85-Y89 VanDerWaalsContact O-CG 3.26Å; M85-Y89 PolarHBondContact O-N 3.25Å; V87-Y89 VanDerWaalsContact C-N 3.32Å; V87-Y89 PolarHBondContact O-N 2.79Å; Y89-L91 VanDerWaalsContact C-N 3.35Å; Y89-L91 PolarHBondContact O-N 2.89Å; Y89-K92 PolarHBondContact O-N 2.87Å; Y89-R93 WeakPolarHBondContact O-CB 3.44Å; Y89-R93 PolarHBondContact O-N 2.84Å
90	A	97.8	Very high	96.9	Very high	0 Å²	0	84.8 Å²	84.8	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-57.8	-47.2	172.7	0	0	0	0	0	111.9	V66 D69 A70 Y73 D86 V87 R93 Q94	V66-A90 HydrophobicContact CG1-CB 4.35Å; D69-A90 HydrophobicContact CB-CB 3.64Å; A70-A90 HydrophobicContact CB-CB 4.04Å; Y73-A90 HydrophobicContact CE2-CB 4.4Å; D86-A90 WeakPolarHBondContact O-CB 3.42Å; D86-A90 PolarHBondContact O-N 3.42Å; V87-A90 PolarHBondContact O-N 3.21Å; A90-R93 PolarHBondContact O-N 3.17Å; A90-Q94 WeakPolarHBondContact O-CG 3.44Å; A90-Q94 PolarHBondContact O-N 2.73Å
91	L	97.8	Very high	96.7	Very high	18 Å²	18	80.2 Å²	80.2	9%	0.094	43%	0.426	C	S	.	.	H	α-helix	trans	-64.8	-41.8	178.1	-76	173	0	0	0	112.4	F62 V66 V87 V88 Y89 R93 Q94 G95 R96 L98	F62-L91 HydrophobicContact CZ-CD2 4.14Å; V66-L91 HydrophobicContact CG1-CD2 3.95Å; V66-L91 HydrophobicContact CG1-CG 4.06Å; V66-L91 HydrophobicContact CG2-CD2 3.76Å; V87-L91 HydrophobicContact CG1-CD1 3.98Å; V87-L91 HydrophobicContact CG1-CG 4.38Å; V87-L91 WeakPolarHBondContact O-CB 3.4Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.06Å; V87-L91 PolarHBondContact O-N 3.32Å; V88-L91 PolarHBondContact O-N 3.48Å; Y89-L91 VanDerWaalsContact C-N 3.35Å; Y89-L91 PolarHBondContact O-N 2.89Å; L91-R93 PolarHBondContact O-N 3.46Å; L91-Q94 PolarHBondContact O-N 2.96Å; L91-G95 PolarHBondContact O-N 2.88Å; L91-R96 WeakPolarHBondContact CB-O 3.34Å; L91-R96 HydrophobicContact CD2-CB 4.28Å; L91-R96 CarbonylContact O-C 3.49Å; L91-R96 WeakPolarHBondContact O-CA 3.39Å; L91-R96 PolarHBondContact O-N 3.12Å; L91-L98 HydrophobicContact CD1-CB 3.92Å; L91-L98 HydrophobicContact CD1-CD2 3.73Å; L91-L98 HydrophobicContact CD1-CG 4.47Å
92	K	96.9	Very high	96.2	Very high	134 Å²	134	78.5 Å²	78.5	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-42.4	175.7	-172.2	177	-179	-179.4	0	111.7	V88 Y89 Q94 G95	V88-K92 WeakPolarHBondContact O-CB 3.45Å; V88-K92 PolarHBondContact O-N 2.96Å; Y89-K92 PolarHBondContact O-N 2.87Å; K92-Q94 VanDerWaalsContact C-N 3.25Å; K92-Q94 PolarHBondContact O-N 3.46Å; K92-G95 PolarHBondContact O-N 3.13Å
93	R	96.5	Very high	95.2	Very high	169 Å²	169	81.8 Å²	81.8	64%	0.638	48%	0.478	S	S	*	.	H	α-helix	trans	-60	-34.5	176	-178.8	179.8	174.6	-100.4	4	112.5	D69 Y89 A90 L91 G95	D69-R93 IonicContact OD1-CZ 3.94Å; D69-R93 IonicContact OD1-NH1 2.9Å; D69-R93 PolarHBondContact OD1-NH1 2.78Å; D69-R93 IonicContact OD2-CZ 3.92Å; D69-R93 IonicContact OD2-NH1 2.77Å; D69-R93 PolarHBondContact OD2-NH1 3.31Å; Y89-R93 WeakPolarHBondContact O-CB 3.44Å; Y89-R93 PolarHBondContact O-N 2.84Å; A90-R93 PolarHBondContact O-N 3.17Å; L91-R93 PolarHBondContact O-N 3.46Å; R93-G95 VanDerWaalsContact C-N 3.27Å; R93-G95 PolarHBondContact O-N 2.84Å
94	Q	95.2	Very high	95.1	Very high	61 Å²	61	82.7 Å²	82.7	29%	0.285	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9.4	177.3	-64.3	-179.7	9.8	0	0	113.8	N65 V66 D69 A90 L91 K92 R96	N65-Q94 PolarHBondContact O-NE2 2.91Å; V66-Q94 VanDerWaalsContact CG2-OE1 3.26Å; D69-Q94 PolarHBondContact OD2-NE2 3.35Å; A90-Q94 WeakPolarHBondContact O-CG 3.44Å; A90-Q94 PolarHBondContact O-N 2.73Å; L91-Q94 PolarHBondContact O-N 2.96Å; K92-Q94 VanDerWaalsContact C-N 3.25Å; K92-Q94 PolarHBondContact O-N 3.46Å; Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-R96 PolarHBondContact O-N 3.46Å
95	G	96.6	Very high	95	Very high	67 Å²	67	84.2 Å²	84.2	69%	0.691	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	20.4	-179.6	0	0	0	0	0	114.5	L91 K92 R93	L91-G95 PolarHBondContact O-N 2.88Å; K92-G95 PolarHBondContact O-N 3.13Å; R93-G95 VanDerWaalsContact C-N 3.27Å; R93-G95 PolarHBondContact O-N 2.84Å
96	R	96.4	Very high	94.9	Very high	145 Å²	145	85.8 Å²	85.8	55%	0.547	50%	0.496	S	S	.	.			trans	-119.5	59.1	-177.3	-62.4	-176.3	-176.7	-149.3	0.9	111.8	L91 Q94 L98	L91-R96 WeakPolarHBondContact CB-O 3.34Å; L91-R96 HydrophobicContact CD2-CB 4.28Å; L91-R96 CarbonylContact O-C 3.49Å; L91-R96 WeakPolarHBondContact O-CA 3.39Å; L91-R96 PolarHBondContact O-N 3.12Å; Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-R96 PolarHBondContact O-N 3.46Å; R96-L98 PolarHBondContact O-N 3.03Å
97	T	95	Very high	94.8	Very high	75 Å²	75	89.9 Å²	89.9	46%	0.46	52%	0.52	S	S	.	.			trans	-54.2	126.7	-177.6	-53.9	0	0	0	0	112.3	Y99	T97-Y99 HydrophobicContact CG2-CE1 4.21Å; T97-Y99 HydrophobicContact CG2-CE2 4.33Å
98	L	96.3	Very high	94.6	Very high	72 Å²	72	92.3 Å²	92.3	38%	0.377	53%	0.533	S	S	.	.			trans	-113.5	130.1	179.1	-176.6	65.9	0	0	0	110.1	L91 R96 F101	L91-L98 HydrophobicContact CD1-CB 3.92Å; L91-L98 HydrophobicContact CD1-CD2 3.73Å; L91-L98 HydrophobicContact CD1-CG 4.47Å; R96-L98 PolarHBondContact O-N 3.03Å; L98-F101 HydrophobicContact CD1-CE2 4.25Å; L98-F101 HydrophobicContact CD2-CD2 3.68Å; L98-F101 HydrophobicContact CD2-CE2 3.69Å; L98-F101 HydrophobicContact CG-CD2 3.8Å; L98-F101 HydrophobicContact CG-CE2 3.93Å
99	Y	95.8	Very high	94.4	Very high	195 Å²	195	96.9 Å²	96.9	77%	0.765	56%	0.559	S	S	*	*			trans	-101.3	155.4	179.1	-60.2	-77.6	0	0	0	111.6	T97 F101	T97-Y99 HydrophobicContact CG2-CE1 4.21Å; T97-Y99 HydrophobicContact CG2-CE2 4.33Å; Y99-F101 WeakPolarHBondContact O-CD2 3.41Å
100	G	95.8	Very high	94.2	Very high	80 Å²	80	95.9 Å²	95.9	83%	0.825	57%	0.568	S	S	*	*	S	Bend	trans	94.4	11.8	172.9	0	0	0	0	0	116.4
101	F	93.6	Very high	93.9	Very high	114 Å²	114	103.2 Å²	103.2	50%	0.5	61%	0.612	S	S	.	*			trans	-128.2	20.1	-174.6	-67.2	-88.8	0	0	0	114.3	V88 L98 Y99	V88-F101 HydrophobicContact CG2-CB 3.75Å; L98-F101 HydrophobicContact CD1-CE2 4.25Å; L98-F101 HydrophobicContact CD2-CD2 3.68Å; L98-F101 HydrophobicContact CD2-CE2 3.69Å; L98-F101 HydrophobicContact CG-CD2 3.8Å; L98-F101 HydrophobicContact CG-CE2 3.93Å; Y99-F101 WeakPolarHBondContact O-CD2 3.41Å
102	G	86.6	Confident	93.6	Very high	69 Å²	69	110.3 Å²	110.3	71%	0.711	66%	0.655	S	S	*	*			trans	-97.9	23.8	-178.4	0	0	0	0	0	115.4
103	G	78.1	Confident	93.3	Very high	143 Å²	143	108.2 Å²	108.2	100%	1.474	66%	0.661	S	S	*	*			trans	-89.1	0	-178.8	0	0	0	0	0	113.9

Retrieved 103 of 103 residues in 179.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).