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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.

AlphaFold DB , UniProt , Accession Q76NW2, Species DICDI (Dictyostelium discoideum, Social amoeba), Gene H4a/H4b, Length 108 aa.

						>H4_DICDI|Q76NW2|H4a/H4b
MSSAQSRGGKTGGKVGGKVGAKRHKKTQKEHINGITKPAIRRLARRGGVKRISFPIYEETRNVLRTFLTNVIRDSVAYTEHAGRRTVTAMDVVYALKRQGRTLYGFNS
					

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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	51	Low	51.8	Low	248 Å²	248	145.4 Å²	145.4	100%	1.222	86%	0.863	S	S	*	*				0	140.8	0	-76.3	-179.9	153.4	0	0	108.7
2	S	57.3	Low	51.7	Low	130 Å²	130	139.2 Å²	139.2	91%	0.909	85%	0.852	S	S	*	*			trans	93.1	100.3	-177.7	-155.8	0	0	0	0	116.7
3	S	48.1	Very low	51.7	Low	110 Å²	110	133.7 Å²	133.7	77%	0.769	84%	0.841	S	S	*	*			trans	-89.5	137.4	-176.7	47.4	0	0	0	0	112.8
4	A	57.9	Low	51.7	Low	106 Å²	106	139.4 Å²	139.4	88%	0.876	85%	0.847	S	S	*	*			trans	-73.3	129.7	165.5	0	0	0	0	0	111.2
5	Q	59.4	Low	51.7	Low	166 Å²	166	139.6 Å²	139.6	78%	0.776	85%	0.848	S	S	*	*			trans	-106.4	95.8	177.3	-136.5	174.6	4.5	0	0	109.9
6	S	52.8	Low	51.9	Low	118 Å²	118	135.8 Å²	135.8	83%	0.825	85%	0.846	S	S	*	*			trans	-79.3	114.1	167.4	170.8	0	0	0	0	109.4	G8	S6-G8 PolarHBondContact O-N 3.43Å
7	R	50.2	Low	52.4	Low	223 Å²	223	131.8 Å²	131.8	84%	0.842	84%	0.837	S	S	*	*			trans	-96.5	77.5	167.9	-75	-173	179.3	174.1	1.4	109.8	G9	R7-G9 PolarHBondContact O-N 3.09Å
8	G	46.3	Very low	52.8	Low	68 Å²	68	136.6 Å²	136.6	70%	0.701	84%	0.843	S	S	*	*			trans	-81.6	90.6	166	0	0	0	0	0	111.3	S6 K10	S6-G8 PolarHBondContact O-N 3.43Å; G8-K10 PolarHBondContact O-N 3.15Å
9	G	48.1	Very low	53.3	Low	73 Å²	73	136.3 Å²	136.3	75%	0.753	84%	0.84	S	S	*	*			trans	-89.7	70.5	171.9	0	0	0	0	0	112.4	R7 T11	R7-G9 PolarHBondContact O-N 3.09Å; G9-T11 PolarHBondContact O-N 3.27Å
10	K	49.2	Very low	53.8	Low	205 Å²	205	132.6 Å²	132.6	89%	0.891	83%	0.831	S	S	*	*			trans	-85.4	81	165.5	-85.6	-177.6	177.7	174.2	0	109.3	G8 G12	G8-K10 PolarHBondContact O-N 3.15Å; K10-G12 PolarHBondContact O-N 3.33Å
11	T	49.7	Very low	54.4	Low	152 Å²	152	130.8 Å²	130.8	93%	0.933	83%	0.829	S	S	*	*			trans	-82.1	70.7	167	-39.6	0	0	0	0	108.9	G9	G9-T11 PolarHBondContact O-N 3.27Å
12	G	50.2	Low	55.2	Low	71 Å²	71	127 Å²	127	73%	0.732	81%	0.805	S	S	*	*			trans	-135.2	43.5	176.5	0	0	0	0	0	109.7	K10 K14	K10-G12 PolarHBondContact O-N 3.33Å; G12-K14 PolarHBondContact O-N 3.43Å
13	G	52.5	Low	55.6	Low	68 Å²	68	132.7 Å²	132.7	70%	0.701	81%	0.807	S	S	*	*			trans	-79.9	99.1	-176.1	0	0	0	0	0	111.3	V15	G13-V15 PolarHBondContact O-N 2.98Å; G13-V15 VanDerWaalsContact O-N 3.13Å
14	K	50.6	Low	56.6	Low	213 Å²	213	134.6 Å²	134.6	93%	0.926	80%	0.803	S	S	*	*			trans	-66.5	96.3	167.7	-160.4	179.5	-168.8	179.9	0	108.3	G12	G12-K14 PolarHBondContact O-N 3.43Å
15	V	52.6	Low	57.1	Low	143 Å²	143	139.3 Å²	139.3	87%	0.867	80%	0.804	S	S	*	*			trans	-149.5	118.8	170	-121.6	0	0	0	0	108.8	G13	G13-V15 PolarHBondContact O-N 2.98Å; G13-V15 VanDerWaalsContact O-N 3.13Å
16	G	55.4	Low	57.3	Low	79 Å²	79	141.1 Å²	141.1	81%	0.814	81%	0.809	S	S	*	*			trans	158.2	92.2	178.8	0	0	0	0	0	110.3
17	G	59.5	Low	58	Low	67 Å²	67	140.9 Å²	140.9	69%	0.691	80%	0.803	S	S	*	*			trans	-55.4	161.6	-175.6	0	0	0	0	0	114.5	V19	G17-V19 VanDerWaalsContact C-N 3.32Å; G17-V19 PolarHBondContact O-N 3.43Å
18	K	59.7	Low	58.9	Low	218 Å²	218	139.8 Å²	139.8	95%	0.948	81%	0.807	S	S	*	*			trans	-56.9	85.5	177.3	-67.1	172.3	177	175.3	0	111	G20	K18-G20 PolarHBondContact O-N 2.67Å
19	V	62.6	Low	60	Low	131 Å²	131	144 Å²	144	79%	0.794	81%	0.807	S	S	*	*			trans	-76.5	107.7	160.3	-176.4	0	0	0	0	105.9	G17 A21	G17-V19 VanDerWaalsContact C-N 3.32Å; G17-V19 PolarHBondContact O-N 3.43Å; V19-A21 PolarHBondContact O-N 3.28Å; V19-A21 VanDerWaalsContact O-N 3.15Å
20	G	62.8	Low	61.6	Low	63 Å²	63	146.5 Å²	146.5	65%	0.649	80%	0.799	S	S	*	*			trans	-46.4	122.3	176.9	0	0	0	0	0	109.9	K18 K22	K18-G20 PolarHBondContact O-N 2.67Å; G20-K22 PolarHBondContact O-N 2.78Å
21	A	66.8	Low	63.5	Low	95 Å²	95	145 Å²	145	79%	0.785	79%	0.794	S	S	*	*			trans	-54.6	113.6	-178.6	0	0	0	0	0	108.8	V19 R23	V19-A21 PolarHBondContact O-N 3.28Å; V19-A21 VanDerWaalsContact O-N 3.15Å; A21-R23 PolarHBondContact O-N 3.29Å
22	K	67.2	Low	65.5	Low	167 Å²	167	139.5 Å²	139.5	73%	0.726	76%	0.759	S	S	*	*			trans	-55.8	108.7	173.7	-73.6	-176.3	177.6	-179.5	0	107.6	G20 H24	G20-K22 PolarHBondContact O-N 2.78Å; K22-H24 WeakPolarHBondContact CB-NE2 3.5Å; K22-H24 PolarHBondContact O-CD2 2.7Å; K22-H24 PolarHBondContact O-N 3.35Å
23	R	67	Low	67.4	Low	251 Å²	251	140.1 Å²	140.1	95%	0.947	75%	0.745	S	S	*	*			trans	-69	84.6	170.1	-86.4	-176.1	174.1	173.5	-1.3	107.7	A21	A21-R23 PolarHBondContact O-N 3.29Å
24	H	68.7	Low	69.3	Low	150 Å²	150	139.5 Å²	139.5	69%	0.694	74%	0.739	S	S	*	*			trans	-72.4	131.1	166.9	-70.8	-75.5	0	0	0	109.1	K22 K26	K22-H24 WeakPolarHBondContact CB-NE2 3.5Å; K22-H24 PolarHBondContact O-CD2 2.7Å; K22-H24 PolarHBondContact O-N 3.35Å; H24-K26 PolarHBondContact O-N 3.26Å
25	K	67.1	Low	71.4	Confident	204 Å²	204	132.1 Å²	132.1	89%	0.887	71%	0.709	S	S	*	*			trans	-52.5	129.5	166.4	-172.9	176.7	-179.8	-179.8	0	107.5	T27	K25-T27 PolarHBondContact O-N 3.32Å
26	K	64.7	Low	73.4	Confident	205 Å²	205	128.4 Å²	128.4	89%	0.891	69%	0.687	S	S	*	*			trans	-65.8	97.8	178.8	-70.8	176.2	179.3	175.9	0	108.5	H24	H24-K26 PolarHBondContact O-N 3.26Å
27	T	66.7	Low	75.4	Confident	112 Å²	112	128.7 Å²	128.7	69%	0.687	67%	0.665	S	S	*	*			trans	-57.9	145.5	156.8	1.1	0	0	0	0	108.1	K25 K29	K25-T27 PolarHBondContact O-N 3.32Å; T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 PolarHBondContact O-N 2.74Å
28	Q	69.1	Low	77.2	Confident	200 Å²	200	127.9 Å²	127.9	94%	0.935	65%	0.648	S	S	*	*			trans	-60.1	98.2	175.2	-70.8	-175.3	0.1	0	0	108.4
29	K	70.2	Confident	79	Confident	158 Å²	158	118.5 Å²	118.5	69%	0.687	61%	0.611	S	S	*	*			trans	-89.5	143.5	169.5	-68.1	-178.3	-179.4	-177.6	0	107	T27 H31	T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 PolarHBondContact O-N 2.74Å; K29-H31 PolarHBondContact O-N 3.11Å
30	E	81.1	Confident	80.7	Confident	125 Å²	125	112.5 Å²	112.5	58%	0.584	58%	0.575	S	S	*	*			trans	-44.4	117	167.8	-69.3	-61.8	141.4	0	0	110.3	I32 N33	E30-I32 HydrophobicContact CB-CG2 4.08Å; E30-I32 PolarHBondContact O-N 3.27Å; E30-I32 VanDerWaalsContact O-N 3.07Å; E30-N33 WeakPolarHBondContact O-CB 3.42Å; E30-N33 PolarHBondContact O-N 2.98Å
31	H	88.5	Confident	82.3	Confident	174 Å²	174	114.1 Å²	114.1	81%	0.806	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-60.2	-23.7	-174.1	-67.3	-68.7	0	0	0	112.7	K29 N33 G34	K29-H31 PolarHBondContact O-N 3.11Å; H31-N33 PolarHBondContact O-N 3.22Å; H31-G34 WeakPolarHBondContact O-CA 3.43Å; H31-G34 PolarHBondContact O-N 3.47Å
32	I	92.1	Very high	83.8	Confident	36 Å²	36	117 Å²	117	19%	0.185	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-61	-29.4	176.4	-161.8	62.8	0	0	0	112.6	E30 G34 I35 R61 R65	E30-I32 HydrophobicContact CB-CG2 4.08Å; E30-I32 PolarHBondContact O-N 3.27Å; E30-I32 VanDerWaalsContact O-N 3.07Å; I32-G34 PolarHBondContact O-N 3.15Å; I32-I35 WeakPolarHBondContact O-CB 3.39Å; I32-I35 PolarHBondContact O-N 2.92Å; I32-I35 VanDerWaalsContact O-N 3.1Å; I32-R61 HydrophobicContact CD1-CB 4.07Å; I32-R61 HydrophobicContact CD1-CG 4.37Å; I32-R61 HydrophobicContact CG1-CB 3.62Å; I32-R61 HydrophobicContact CG1-CG 3.91Å; I32-R65 HydrophobicContact CD1-CB 4.24Å
33	N	89.4	Confident	85.3	Confident	84 Å²	84	113.7 Å²	113.7	45%	0.449	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.9	173.9	-71	-47	0	0	0	113	E30 H31 I35	E30-N33 WeakPolarHBondContact O-CB 3.42Å; E30-N33 PolarHBondContact O-N 2.98Å; H31-N33 PolarHBondContact O-N 3.22Å; N33-I35 PolarHBondContact O-N 3.3Å
34	G	92.4	Very high	86.7	Confident	55 Å²	55	102.7 Å²	102.7	57%	0.567	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.4	169.1	0	0	0	0	0	112.8	H31 I32 T36	H31-G34 WeakPolarHBondContact O-CA 3.43Å; H31-G34 PolarHBondContact O-N 3.47Å; I32-G34 PolarHBondContact O-N 3.15Å; G34-T36 VanDerWaalsContact C-N 3.31Å; G34-T36 WeakPolarHBondContact O-CG2 3.38Å; G34-T36 PolarHBondContact O-N 2.78Å
35	I	94.7	Very high	88.1	Confident	58 Å²	58	101.6 Å²	101.6	30%	0.297	49%	0.494	S	S	.	.	S	Bend	trans	-79.2	86.4	169.6	-49.6	-60.2	0	0	0	108.4	I32 N33 I40 R61 L64	I32-I35 WeakPolarHBondContact O-CB 3.39Å; I32-I35 PolarHBondContact O-N 2.92Å; I32-I35 VanDerWaalsContact O-N 3.1Å; N33-I35 PolarHBondContact O-N 3.3Å; I35-I40 HydrophobicContact CG2-CD1 4.24Å; I35-I40 HydrophobicContact CG2-CG1 3.88Å; I35-R61 PolarHBondContact O-NE 3.21Å; I35-R61 PolarHBondContact O-NH2 2.96Å; I35-L64 HydrophobicContact CB-CD2 4.46Å; I35-L64 HydrophobicContact CD1-CD2 4.04Å; I35-L64 HydrophobicContact CG1-CD2 3.76Å; I35-L64 HydrophobicContact CG2-CD2 4.09Å
36	T	96.2	Very high	89.6	Confident	65 Å²	65	102 Å²	102	40%	0.399	49%	0.49	S	S	.	.			trans	-67	152.1	-171.3	68.5	0	0	0	0	112.6	G34 P38 A39 I40	G34-T36 VanDerWaalsContact C-N 3.31Å; G34-T36 WeakPolarHBondContact O-CG2 3.38Å; G34-T36 PolarHBondContact O-N 2.78Å; T36-P38 VanDerWaalsContact C-N 3.31Å; T36-A39 WeakPolarHBondContact O-CA 3.5Å; T36-A39 WeakPolarHBondContact O-CB 3.48Å; T36-A39 PolarHBondContact O-N 2.91Å; T36-A39 PolarHBondContact OG1-N 2.86Å; T36-I40 PolarHBondContact O-N 3.45Å; T36-I40 VanDerWaalsContact O-N 3.09Å
37	K	96.7	Very high	91.2	Very high	84 Å²	84	95.3 Å²	95.3	37%	0.365	48%	0.479	S	S	.	.	H	α-helix	trans	-53.4	-40.3	174.8	-63.9	-176.5	176.3	-178.7	0	113.2	A39 I40 R41 Y57	K37-A39 PolarHBondContact O-N 3.33Å; K37-I40 PolarHBondContact O-N 3.19Å; K37-R41 WeakPolarHBondContact O-CB 3.32Å; K37-R41 PolarHBondContact O-N 2.86Å; K37-Y57 HydrophobicContact CB-CD1 4.02Å; K37-Y57 HydrophobicContact CB-CE1 4.06Å; K37-Y57 HydrophobicContact CB-CG 4.43Å; K37-Y57 HydrophobicContact CD-CD2 3.96Å; K37-Y57 HydrophobicContact CD-CE2 4.22Å; K37-Y57 HydrophobicContact CD-CG 4.17Å; K37-Y57 HydrophobicContact CG-CD1 3.94Å; K37-Y57 HydrophobicContact CG-CD2 4.18Å; K37-Y57 HydrophobicContact CG-CE1 4.36Å; K37-Y57 HydrophobicContact CG-CG 3.86Å
38	P	97.3	Very high	92.7	Very high	51 Å²	51	93.1 Å²	93.1	33%	0.331	48%	0.479	S	S	.	.	H	α-helix	trans	-60.7	-37.7	171.5	-25.7	36.1	0	0	0	114.3	T36 R41 R42	T36-P38 VanDerWaalsContact C-N 3.31Å; P38-R41 PolarHBondContact O-N 3.29Å; P38-R42 WeakPolarHBondContact O-CG 3.4Å; P38-R42 PolarHBondContact O-N 3.07Å
39	A	97.7	Very high	94	Very high	21 Å²	21	86.5 Å²	86.5	17%	0.174	45%	0.452	C	S	.	.	H	α-helix	trans	-65.1	-47.6	176.7	0	0	0	0	0	111.7	T36 K37 R41 R42 L43	T36-A39 WeakPolarHBondContact O-CA 3.5Å; T36-A39 WeakPolarHBondContact O-CB 3.48Å; T36-A39 PolarHBondContact O-N 2.91Å; T36-A39 PolarHBondContact OG1-N 2.86Å; K37-A39 PolarHBondContact O-N 3.33Å; A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 3.17Å; A39-R42 WeakPolarHBondContact O-CB 3.38Å; A39-R42 PolarHBondContact O-N 3.36Å; A39-R42 VanDerWaalsContact O-N 3.11Å; A39-L43 PolarHBondContact O-N 2.85Å
40	I	98	Very high	95.3	Very high	4 Å²	4	87.1 Å²	87.1	2%	0.021	46%	0.455	C	S	.	.	H	α-helix	trans	-58.8	-43.6	175	-64.1	170.4	0	0	0	110.6	I35 T36 K37 R42 L43 A44 Y57 T60 R61	I35-I40 HydrophobicContact CG2-CD1 4.24Å; I35-I40 HydrophobicContact CG2-CG1 3.88Å; T36-I40 PolarHBondContact O-N 3.45Å; T36-I40 VanDerWaalsContact O-N 3.09Å; K37-I40 PolarHBondContact O-N 3.19Å; I40-R42 PolarHBondContact O-N 3.49Å; I40-L43 WeakPolarHBondContact O-CB 3.32Å; I40-L43 PolarHBondContact O-N 2.87Å; I40-A44 WeakPolarHBondContact O-CB 3.45Å; I40-A44 PolarHBondContact O-N 3.49Å; I40-Y57 HydrophobicContact CB-CD1 4.18Å; I40-Y57 HydrophobicContact CD1-CD1 4.32Å; I40-Y57 VanDerWaalsContact CD1-O 3.28Å; I40-Y57 WeakPolarHBondContact CD1-O 3.43Å; I40-Y57 HydrophobicContact CG2-CD1 3.96Å; I40-Y57 HydrophobicContact CG2-CE1 4.46Å; I40-T60 HydrophobicContact CD1-CG2 4.45Å; I40-T60 HydrophobicContact CG1-CG2 4.21Å; I40-T60 HydrophobicContact CG2-CG2 4.02Å; I40-R61 HydrophobicContact CD1-CG 4.32Å
41	R	97.6	Very high	96.1	Very high	98 Å²	98	91.3 Å²	91.3	37%	0.37	47%	0.465	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175.4	-176	171.3	63.5	-100.5	3.3	111.7	K37 P38 A39 L43 A44 R45 I52	K37-R41 WeakPolarHBondContact O-CB 3.32Å; K37-R41 PolarHBondContact O-N 2.86Å; P38-R41 PolarHBondContact O-N 3.29Å; A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 3.17Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 2.71Å; R41-A44 PolarHBondContact O-N 3.17Å; R41-R45 HydrophobicContact CG-CG 4.27Å; R41-R45 WeakPolarHBondContact O-CB 3.44Å; R41-R45 VanDerWaalsContact O-CG 3.24Å; R41-R45 WeakPolarHBondContact O-CG 3.27Å; R41-R45 PolarHBondContact O-N 3.19Å; R41-I52 HydrophobicContact CB-CD1 4.26Å; R41-I52 HydrophobicContact CG-CD1 3.99Å
42	R	98.1	Very high	96.5	Very high	154 Å²	154	84.8 Å²	84.8	58%	0.581	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-42.1	175.8	-73.9	-173.6	-59.1	-94.8	6	111.9	P38 A39 I40 R45 R46	P38-R42 WeakPolarHBondContact O-CG 3.4Å; P38-R42 PolarHBondContact O-N 3.07Å; A39-R42 WeakPolarHBondContact O-CB 3.38Å; A39-R42 PolarHBondContact O-N 3.36Å; A39-R42 VanDerWaalsContact O-N 3.11Å; I40-R42 PolarHBondContact O-N 3.49Å; R42-R45 PolarHBondContact O-N 2.9Å; R42-R46 PolarHBondContact O-N 2.97Å
43	L	97.7	Very high	96.7	Very high	99 Å²	99	86.8 Å²	86.8	52%	0.518	45%	0.453	S	S	.	.	H	α-helix	trans	-62	-50.3	175.2	-68.8	172.6	0	0	0	111.6	A39 I40 R41 R45 R46 G47	A39-L43 PolarHBondContact O-N 2.85Å; I40-L43 WeakPolarHBondContact O-CB 3.32Å; I40-L43 PolarHBondContact O-N 2.87Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 2.71Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.36Å; L43-R46 WeakPolarHBondContact O-CB 3.34Å; L43-R46 PolarHBondContact O-N 3.09Å; L43-R46 VanDerWaalsContact O-N 3.16Å; L43-G47 PolarHBondContact O-N 3.43Å
44	A	97.6	Very high	97	Very high	20 Å²	20	89.7 Å²	89.7	17%	0.165	46%	0.462	C	S	.	.	H	α-helix	trans	-61.7	-39.7	178.7	0	0	0	0	0	112.3	I40 R41 G47 G48 V49 I52	I40-A44 WeakPolarHBondContact O-CB 3.45Å; I40-A44 PolarHBondContact O-N 3.49Å; R41-A44 PolarHBondContact O-N 3.17Å; A44-G47 CarbonylContact O-C 3.47Å; A44-G47 PolarHBondContact O-N 2.82Å; A44-G48 PolarHBondContact O-N 3.06Å; A44-V49 HydrophobicContact CB-CB 3.98Å; A44-V49 HydrophobicContact CB-CG1 4.45Å; A44-V49 HydrophobicContact CB-CG2 4.06Å; A44-V49 VanDerWaalsContact O-CB 3.26Å; A44-V49 WeakPolarHBondContact O-CB 3.36Å; A44-V49 WeakPolarHBondContact O-CG2 3.35Å; A44-V49 PolarHBondContact O-N 3.13Å; A44-I52 HydrophobicContact CB-CD1 3.5Å; A44-I52 HydrophobicContact CB-CG1 4.2Å
45	R	98	Very high	97.2	Very high	127 Å²	127	91.1 Å²	91.1	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-41.3	174.1	-67.6	-47.4	177.6	176.8	0.2	112.2	R41 R42 L43 G47 G48 V49 K50	R41-R45 HydrophobicContact CG-CG 4.27Å; R41-R45 WeakPolarHBondContact O-CB 3.44Å; R41-R45 VanDerWaalsContact O-CG 3.24Å; R41-R45 WeakPolarHBondContact O-CG 3.27Å; R41-R45 PolarHBondContact O-N 3.19Å; R42-R45 PolarHBondContact O-N 2.9Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.36Å; R45-G47 PolarHBondContact O-N 3.44Å; R45-G48 PolarHBondContact O-N 2.86Å; R45-V49 WeakPolarHBondContact CD-O 3.27Å; R45-V49 PolarHBondContact NH1-O 3.34Å; R45-K50 VanDerWaalsContact NH1-CA 3.31Å; R45-K50 PolarHBondContact NH1-O 2.95Å; R45-K50 PolarHBondContact NH2-O 3.22Å
46	R	98.1	Very high	97.4	Very high	211 Å²	211	92 Å²	92	80%	0.796	47%	0.466	S	S	*	.	H	α-helix	trans	-61.4	-33.8	173.9	-173.1	-178.9	-66.5	154.6	-3.8	111.7	R42 L43 G48	R42-R46 PolarHBondContact O-N 2.97Å; L43-R46 WeakPolarHBondContact O-CB 3.34Å; L43-R46 PolarHBondContact O-N 3.09Å; L43-R46 VanDerWaalsContact O-N 3.16Å; R46-G48 VanDerWaalsContact C-N 3.28Å; R46-G48 PolarHBondContact O-N 2.91Å
47	G	97.7	Very high	97.4	Very high	65 Å²	65	90.5 Å²	90.5	67%	0.67	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	7.2	173	0	0	0	0	0	115.7	L43 A44 R45	L43-G47 PolarHBondContact O-N 3.43Å; A44-G47 CarbonylContact O-C 3.47Å; A44-G47 PolarHBondContact O-N 2.82Å; R45-G47 PolarHBondContact O-N 3.44Å
48	G	97.9	Very high	97.4	Very high	66 Å²	66	90.6 Å²	90.6	68%	0.68	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	10.2	177.9	0	0	0	0	0	115.8	A44 R45 R46 K50	A44-G48 PolarHBondContact O-N 3.06Å; R45-G48 PolarHBondContact O-N 2.86Å; R46-G48 VanDerWaalsContact C-N 3.28Å; R46-G48 PolarHBondContact O-N 2.91Å; G48-K50 PolarHBondContact O-N 3.25Å
49	V	97.5	Very high	97.3	Very high	61 Å²	61	93.1 Å²	93.1	37%	0.37	46%	0.462	S	S	.	.			trans	-72	121	-178.8	-178.2	0	0	0	0	111	A44 R45 R51 I52	A44-V49 HydrophobicContact CB-CB 3.98Å; A44-V49 HydrophobicContact CB-CG1 4.45Å; A44-V49 HydrophobicContact CB-CG2 4.06Å; A44-V49 VanDerWaalsContact O-CB 3.26Å; A44-V49 WeakPolarHBondContact O-CB 3.36Å; A44-V49 WeakPolarHBondContact O-CG2 3.35Å; A44-V49 PolarHBondContact O-N 3.13Å; R45-V49 WeakPolarHBondContact CD-O 3.27Å; R45-V49 PolarHBondContact NH1-O 3.34Å; V49-R51 VanDerWaalsContact CG1-O 3.22Å; V49-R51 WeakPolarHBondContact CG1-O 3.14Å; V49-I52 HydrophobicContact CG1-CG1 3.75Å
50	K	97.1	Very high	97.3	Very high	172 Å²	172	94.3 Å²	94.3	75%	0.748	47%	0.467	S	S	*	.	S	Bend	trans	-83.4	-37.1	-178	-171.6	173.7	-177.5	174.1	0	114.5	R45 G48	R45-K50 VanDerWaalsContact NH1-CA 3.31Å; R45-K50 PolarHBondContact NH1-O 2.95Å; R45-K50 PolarHBondContact NH2-O 3.22Å; G48-K50 PolarHBondContact O-N 3.25Å
51	R	97.2	Very high	97.3	Very high	213 Å²	213	94.9 Å²	94.9	80%	0.804	47%	0.469	S	S	*	.			trans	-136.1	142.8	177.6	-64.9	-173.9	-177.1	-81.5	2.2	109.1	V49	V49-R51 VanDerWaalsContact CG1-O 3.22Å; V49-R51 WeakPolarHBondContact CG1-O 3.14Å
52	I	96.7	Very high	97.2	Very high	36 Å²	36	93.7 Å²	93.7	19%	0.185	47%	0.47	C	S	.	.			trans	-127	122.6	-176.6	-55	170.6	0	0	0	107.3	R41 A44 V49 I56 Y57	R41-I52 HydrophobicContact CB-CD1 4.26Å; R41-I52 HydrophobicContact CG-CD1 3.99Å; A44-I52 HydrophobicContact CB-CD1 3.5Å; A44-I52 HydrophobicContact CB-CG1 4.2Å; V49-I52 HydrophobicContact CG1-CG1 3.75Å; I52-I56 HydrophobicContact CG2-CB 3.96Å; I52-I56 HydrophobicContact CG2-CG1 4.47Å; I52-I56 HydrophobicContact CG2-CG2 3.99Å; I52-Y57 HydrophobicContact CG2-CE1 4.23Å
53	S	96.9	Very high	97.2	Very high	78 Å²	78	90.5 Å²	90.5	55%	0.545	47%	0.468	S	S	.	.			trans	-75.6	156.4	174.5	-170.3	0	0	0	0	111.2	P55 I56	S53-P55 VanDerWaalsContact OG-CD 3.23Å; S53-P55 WeakPolarHBondContact OG-CD 3.41Å; S53-I56 WeakPolarHBondContact O-CB 3.37Å; S53-I56 PolarHBondContact O-N 3.36Å
54	F	96.3	Very high	97.2	Very high	146 Å²	146	88.2 Å²	88.2	64%	0.64	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-42.1	-177.8	-178.3	-90.5	0	0	0	114.4	I56 Y57	F54-I56 PolarHBondContact O-N 2.89Å; F54-Y57 HydrophobicContact CD2-CD2 4.48Å; F54-Y57 WeakPolarHBondContact O-CD2 3.49Å; F54-Y57 PolarHBondContact O-N 3.26Å
55	P	97	Very high	97.1	Very high	84 Å²	84	94.4 Å²	94.4	55%	0.545	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-179	-24.3	36.6	0	0	0	114.3	S53 Y57 E58 E59	S53-P55 VanDerWaalsContact OG-CD 3.23Å; S53-P55 WeakPolarHBondContact OG-CD 3.41Å; P55-Y57 PolarHBondContact O-N 2.98Å; P55-Y57 VanDerWaalsContact O-N 3.1Å; P55-E58 PolarHBondContact O-N 3.39Å; P55-E58 VanDerWaalsContact O-N 3.07Å; P55-E59 PolarHBondContact O-N 3.04Å; P55-E59 VanDerWaalsContact O-N 3.14Å
56	I	97.3	Very high	97	Very high	76 Å²	76	92.4 Å²	92.4	39%	0.39	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-27.7	-178.2	-60.1	-60.8	0	0	0	112.2	I52 S53 F54 E58 T60	I52-I56 HydrophobicContact CG2-CB 3.96Å; I52-I56 HydrophobicContact CG2-CG1 4.47Å; I52-I56 HydrophobicContact CG2-CG2 3.99Å; S53-I56 WeakPolarHBondContact O-CB 3.37Å; S53-I56 PolarHBondContact O-N 3.36Å; F54-I56 PolarHBondContact O-N 2.89Å; I56-E58 VanDerWaalsContact C-N 3.32Å; I56-E58 PolarHBondContact O-N 3.37Å; I56-T60 VanDerWaalsContact O-CB 3.28Å; I56-T60 WeakPolarHBondContact O-CB 3.25Å; I56-T60 PolarHBondContact O-N 3.4Å; I56-T60 PolarHBondContact O-OG1 3.44Å
57	Y	96.6	Very high	96.9	Very high	35 Å²	35	85.6 Å²	85.6	14%	0.137	45%	0.453	C	S	.	.	H	α-helix	trans	-64.1	-38.7	178.3	-59.7	-60.2	0	0	0	112.6	K37 I40 I52 F54 P55 R61	K37-Y57 HydrophobicContact CB-CD1 4.02Å; K37-Y57 HydrophobicContact CB-CE1 4.06Å; K37-Y57 HydrophobicContact CB-CG 4.43Å; K37-Y57 HydrophobicContact CD-CD2 3.96Å; K37-Y57 HydrophobicContact CD-CE2 4.22Å; K37-Y57 HydrophobicContact CD-CG 4.17Å; K37-Y57 HydrophobicContact CG-CD1 3.94Å; K37-Y57 HydrophobicContact CG-CD2 4.18Å; K37-Y57 HydrophobicContact CG-CE1 4.36Å; K37-Y57 HydrophobicContact CG-CG 3.86Å; I40-Y57 HydrophobicContact CB-CD1 4.18Å; I40-Y57 HydrophobicContact CD1-CD1 4.32Å; I40-Y57 VanDerWaalsContact CD1-O 3.28Å; I40-Y57 WeakPolarHBondContact CD1-O 3.43Å; I40-Y57 HydrophobicContact CG2-CD1 3.96Å; I40-Y57 HydrophobicContact CG2-CE1 4.46Å; I52-Y57 HydrophobicContact CG2-CE1 4.23Å; F54-Y57 HydrophobicContact CD2-CD2 4.48Å; F54-Y57 WeakPolarHBondContact O-CD2 3.49Å; F54-Y57 PolarHBondContact O-N 3.26Å; P55-Y57 PolarHBondContact O-N 2.98Å; P55-Y57 VanDerWaalsContact O-N 3.1Å; Y57-R61 WeakPolarHBondContact O-CG 3.49Å; Y57-R61 PolarHBondContact O-NH1 3.39Å
58	E	96.1	Very high	96.9	Very high	85 Å²	85	86.1 Å²	86.1	40%	0.397	44%	0.44	S	S	.	.	H	α-helix	trans	-80.7	-39.3	178.3	-161.7	55.4	-147.1	0	0	111	P55 I56 T60 R61 N62	P55-E58 PolarHBondContact O-N 3.39Å; P55-E58 VanDerWaalsContact O-N 3.07Å; I56-E58 VanDerWaalsContact C-N 3.32Å; I56-E58 PolarHBondContact O-N 3.37Å; E58-T60 VanDerWaalsContact C-N 3.32Å; E58-T60 PolarHBondContact O-N 2.88Å; E58-R61 WeakPolarHBondContact O-CA 3.37Å; E58-R61 VanDerWaalsContact O-CB 3.29Å; E58-R61 WeakPolarHBondContact O-CB 3.39Å; E58-R61 PolarHBondContact O-N 3.3Å; E58-R61 IonicContact OE2-CZ 3.46Å; E58-R61 IonicContact OE2-NH1 3.35Å; E58-R61 PolarHBondContact OE2-NH1 2.92Å; E58-N62 PolarHBondContact O-N 3.26Å
59	E	97.2	Very high	96.8	Very high	104 Å²	104	86.7 Å²	86.7	49%	0.486	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-42.9	176.3	-172.9	55.1	-154.4	0	0	112.2	P55 R61 N62 V63	P55-E59 PolarHBondContact O-N 3.04Å; P55-E59 VanDerWaalsContact O-N 3.14Å; E59-R61 PolarHBondContact O-N 3.41Å; E59-N62 PolarHBondContact O-N 3.45Å; E59-N62 VanDerWaalsContact O-N 3.16Å; E59-V63 WeakPolarHBondContact O-CG2 3.19Å; E59-V63 PolarHBondContact O-N 3.17Å
60	T	97.6	Very high	96.8	Very high	46 Å²	46	87.5 Å²	87.5	28%	0.282	43%	0.433	S	S	.	.	H	α-helix	trans	-61.3	-33.8	176.2	-54.4	0	0	0	0	111.8	I40 I56 E58 L64	I40-T60 HydrophobicContact CD1-CG2 4.45Å; I40-T60 HydrophobicContact CG1-CG2 4.21Å; I40-T60 HydrophobicContact CG2-CG2 4.02Å; I56-T60 VanDerWaalsContact O-CB 3.28Å; I56-T60 WeakPolarHBondContact O-CB 3.25Å; I56-T60 PolarHBondContact O-N 3.4Å; I56-T60 PolarHBondContact O-OG1 3.44Å; E58-T60 VanDerWaalsContact C-N 3.32Å; E58-T60 PolarHBondContact O-N 2.88Å; T60-L64 VanDerWaalsContact O-CB 3.25Å; T60-L64 WeakPolarHBondContact O-CB 3.15Å; T60-L64 PolarHBondContact O-N 2.96Å
61	R	97.1	Very high	96.8	Very high	17 Å²	17	79.7 Å²	79.7	6%	0.064	40%	0.399	C	S	.	.	H	α-helix	trans	-67.7	-45	176	-78	179.8	-166.4	111.1	10	111.4	I32 I35 I40 Y57 E58 E59 L64 R65	I32-R61 HydrophobicContact CD1-CB 4.07Å; I32-R61 HydrophobicContact CD1-CG 4.37Å; I32-R61 HydrophobicContact CG1-CB 3.62Å; I32-R61 HydrophobicContact CG1-CG 3.91Å; I35-R61 PolarHBondContact O-NE 3.21Å; I35-R61 PolarHBondContact O-NH2 2.96Å; I40-R61 HydrophobicContact CD1-CG 4.32Å; Y57-R61 WeakPolarHBondContact O-CG 3.49Å; Y57-R61 PolarHBondContact O-NH1 3.39Å; E58-R61 WeakPolarHBondContact O-CA 3.37Å; E58-R61 VanDerWaalsContact O-CB 3.29Å; E58-R61 WeakPolarHBondContact O-CB 3.39Å; E58-R61 PolarHBondContact O-N 3.3Å; E58-R61 IonicContact OE2-CZ 3.46Å; E58-R61 IonicContact OE2-NH1 3.35Å; E58-R61 PolarHBondContact OE2-NH1 2.92Å; E59-R61 PolarHBondContact O-N 3.41Å; R61-L64 PolarHBondContact O-N 3.47Å; R61-R65 WeakPolarHBondContact O-CB 3.46Å; R61-R65 PolarHBondContact O-N 3.32Å
62	N	96.6	Very high	96.8	Very high	73 Å²	73	74 Å²	74	39%	0.39	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-48	177.1	-67.9	-25.5	0	0	0	111.2	E58 E59 L64 R65 T66	E58-N62 PolarHBondContact O-N 3.26Å; E59-N62 PolarHBondContact O-N 3.45Å; E59-N62 VanDerWaalsContact O-N 3.16Å; N62-L64 PolarHBondContact O-N 3.04Å; N62-R65 WeakPolarHBondContact O-CB 3.33Å; N62-R65 PolarHBondContact O-N 2.85Å; N62-T66 PolarHBondContact O-N 2.98Å; N62-T66 PolarHBondContact O-OG1 3.04Å
63	V	97.3	Very high	96.9	Very high	87 Å²	87	81.5 Å²	81.5	53%	0.527	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-44.7	177	174.5	0	0	0	0	111.6	E59 R65 T66 F67	E59-V63 WeakPolarHBondContact O-CG2 3.19Å; E59-V63 PolarHBondContact O-N 3.17Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.07Å; V63-T66 PolarHBondContact O-N 3.09Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 PolarHBondContact O-N 3.3Å
64	L	97.1	Very high	96.9	Very high	50 Å²	50	78.9 Å²	78.9	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-40.2	177.7	178.1	61.5	0	0	0	112	I35 T60 R61 N62 F67 L68	I35-L64 HydrophobicContact CB-CD2 4.46Å; I35-L64 HydrophobicContact CD1-CD2 4.04Å; I35-L64 HydrophobicContact CG1-CD2 3.76Å; I35-L64 HydrophobicContact CG2-CD2 4.09Å; T60-L64 VanDerWaalsContact O-CB 3.25Å; T60-L64 WeakPolarHBondContact O-CB 3.15Å; T60-L64 PolarHBondContact O-N 2.96Å; R61-L64 PolarHBondContact O-N 3.47Å; N62-L64 PolarHBondContact O-N 3.04Å; L64-F67 PolarHBondContact O-N 3.41Å; L64-L68 HydrophobicContact CD1-CD1 3.98Å; L64-L68 HydrophobicContact CD1-CG 4.09Å; L64-L68 HydrophobicContact CG-CD1 4.08Å; L64-L68 WeakPolarHBondContact O-CG 3.49Å; L64-L68 PolarHBondContact O-N 2.94Å
65	R	96	Very high	96.9	Very high	151 Å²	151	72.1 Å²	72.1	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-60.4	-51	175.9	-175	-179.3	-175.4	163.7	3.3	110.4	I32 R61 N62 V63 F67 L68 T69	I32-R65 HydrophobicContact CD1-CB 4.24Å; R61-R65 WeakPolarHBondContact O-CB 3.46Å; R61-R65 PolarHBondContact O-N 3.32Å; N62-R65 WeakPolarHBondContact O-CB 3.33Å; N62-R65 PolarHBondContact O-N 2.85Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.07Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3Å; R65-L68 PolarHBondContact O-N 3.29Å; R65-T69 WeakPolarHBondContact O-CB 3.47Å; R65-T69 PolarHBondContact O-N 3.33Å; R65-T69 PolarHBondContact O-OG1 3.1Å
66	T	96.5	Very high	96.9	Very high	84 Å²	84	70.6 Å²	70.6	52%	0.515	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-43.9	178.6	-58.4	0	0	0	0	111.8	N62 V63 T69 N70	N62-T66 PolarHBondContact O-N 2.98Å; N62-T66 PolarHBondContact O-OG1 3.04Å; V63-T66 PolarHBondContact O-N 3.09Å; T66-T69 PolarHBondContact O-N 2.88Å; T66-N70 PolarHBondContact O-N 3.43Å; T66-N70 PolarHBondContact O-ND2 2.94Å
67	F	96.3	Very high	96.9	Very high	68 Å²	68	69.5 Å²	69.5	30%	0.298	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-51	176.5	175.5	-101.3	0	0	0	112.1	V63 L64 R65 T69 N70 V71 L96	V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 PolarHBondContact O-N 3.3Å; L64-F67 PolarHBondContact O-N 3.41Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3Å; F67-T69 PolarHBondContact O-N 3.5Å; F67-N70 PolarHBondContact O-N 3.45Å; F67-V71 HydrophobicContact CD2-CG2 4.46Å; F67-V71 HydrophobicContact CE1-CG2 4.16Å; F67-V71 HydrophobicContact CE2-CG2 3.98Å; F67-V71 HydrophobicContact CZ-CG2 3.82Å; F67-V71 WeakPolarHBondContact O-CG2 3.44Å; F67-V71 PolarHBondContact O-N 3.11Å; F67-V71 VanDerWaalsContact O-N 3.14Å; F67-L96 HydrophobicContact CZ-CD2 4.17Å
68	L	96.7	Very high	96.9	Very high	76 Å²	76	71.7 Å²	71.7	40%	0.398	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-38.3	-179.4	-70.5	175	0	0	0	112.2	L64 R65 N70 V71 I72	L64-L68 HydrophobicContact CD1-CD1 3.98Å; L64-L68 HydrophobicContact CD1-CG 4.09Å; L64-L68 HydrophobicContact CG-CD1 4.08Å; L64-L68 WeakPolarHBondContact O-CG 3.49Å; L64-L68 PolarHBondContact O-N 2.94Å; R65-L68 PolarHBondContact O-N 3.29Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 2.89Å; L68-V71 PolarHBondContact O-N 3.21Å; L68-I72 HydrophobicContact CB-CD1 4.2Å; L68-I72 VanDerWaalsContact O-CB 3.25Å; L68-I72 WeakPolarHBondContact O-CB 3.38Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 3.47Å
69	T	96.9	Very high	97	Very high	78 Å²	78	67.9 Å²	67.9	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-55.5	-46.2	175.1	-63	0	0	0	0	111.1	R65 T66 F67 R73	R65-T69 WeakPolarHBondContact O-CB 3.47Å; R65-T69 PolarHBondContact O-N 3.33Å; R65-T69 PolarHBondContact O-OG1 3.1Å; T66-T69 PolarHBondContact O-N 2.88Å; F67-T69 PolarHBondContact O-N 3.5Å; T69-R73 VanDerWaalsContact O-CB 3.24Å; T69-R73 WeakPolarHBondContact O-CB 3.38Å; T69-R73 PolarHBondContact O-N 3.42Å
70	N	96.7	Very high	97	Very high	79 Å²	79	69.6 Å²	69.6	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-47.8	-178.9	-67.2	-17.2	0	0	0	111.8	T66 F67 L68 D74 Q99	T66-N70 PolarHBondContact O-N 3.43Å; T66-N70 PolarHBondContact O-ND2 2.94Å; F67-N70 PolarHBondContact O-N 3.45Å; L68-N70 VanDerWaalsContact C-N 3.29Å; L68-N70 PolarHBondContact O-N 2.89Å; N70-D74 PolarHBondContact O-N 2.94Å; N70-Q99 PolarHBondContact O-NE2 3.07Å; N70-Q99 VanDerWaalsContact O-NE2 3.1Å
71	V	97.2	Very high	97	Very high	8 Å²	8	75.5 Å²	75.5	5%	0.048	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-44.1	-179.3	175.6	0	0	0	0	111.5	F67 L68 D74 S75 V92 A95 L96 Q99	F67-V71 HydrophobicContact CD2-CG2 4.46Å; F67-V71 HydrophobicContact CE1-CG2 4.16Å; F67-V71 HydrophobicContact CE2-CG2 3.98Å; F67-V71 HydrophobicContact CZ-CG2 3.82Å; F67-V71 WeakPolarHBondContact O-CG2 3.44Å; F67-V71 PolarHBondContact O-N 3.11Å; F67-V71 VanDerWaalsContact O-N 3.14Å; L68-V71 PolarHBondContact O-N 3.21Å; V71-D74 PolarHBondContact O-N 2.89Å; V71-S75 WeakPolarHBondContact O-CB 3.24Å; V71-S75 PolarHBondContact O-N 3Å; V71-S75 PolarHBondContact O-OG 3.43Å; V71-V92 HydrophobicContact CG1-CG1 4.2Å; V71-A95 HydrophobicContact CG1-CB 4.46Å; V71-L96 HydrophobicContact CG1-CD2 4.01Å; V71-L96 HydrophobicContact CG1-CG 4.12Å; V71-L96 HydrophobicContact CG2-CD2 3.73Å; V71-Q99 VanDerWaalsContact CG2-OE1 3.32Å
72	I	97.3	Very high	97	Very high	94 Å²	94	77.2 Å²	77.2	48%	0.482	39%	0.393	S	S	.	.	H	α-helix	trans	-68.4	-39.6	-178.2	-66.9	168.6	0	0	0	110.6	L68 D74 S75 V76	L68-I72 HydrophobicContact CB-CD1 4.2Å; L68-I72 VanDerWaalsContact O-CB 3.25Å; L68-I72 WeakPolarHBondContact O-CB 3.38Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 3.47Å; I72-D74 VanDerWaalsContact C-N 3.32Å; I72-D74 PolarHBondContact O-N 2.91Å; I72-S75 PolarHBondContact O-N 3.39Å; I72-S75 VanDerWaalsContact O-N 3.17Å; I72-V76 HydrophobicContact CG2-CG2 4.1Å; I72-V76 WeakPolarHBondContact O-CG2 3.45Å; I72-V76 PolarHBondContact O-N 2.95Å
73	R	97.4	Very high	97	Very high	192 Å²	192	77.1 Å²	77.1	73%	0.725	41%	0.41	S	S	*	.	H	α-helix	trans	-56	-47.7	176.1	-176.5	177.8	-174	162.9	2.6	111.8	T69 A77	T69-R73 VanDerWaalsContact O-CB 3.24Å; T69-R73 WeakPolarHBondContact O-CB 3.38Å; T69-R73 PolarHBondContact O-N 3.42Å; R73-A77 PolarHBondContact O-N 3.49Å
74	D	96.9	Very high	97	Very high	23 Å²	23	77.1 Å²	77.1	12%	0.123	40%	0.4	C	S	.	.	H	α-helix	trans	-67.7	-38.9	177.9	-70.9	-9.7	0	0	0	111.4	N70 V71 I72 V76 A77 Y78 A95 R98 Q99	N70-D74 PolarHBondContact O-N 2.94Å; V71-D74 PolarHBondContact O-N 2.89Å; I72-D74 VanDerWaalsContact C-N 3.32Å; I72-D74 PolarHBondContact O-N 2.91Å; D74-V76 PolarHBondContact O-N 3.14Å; D74-A77 WeakPolarHBondContact O-CB 3.49Å; D74-A77 PolarHBondContact O-N 2.96Å; D74-Y78 WeakPolarHBondContact O-CD2 3.47Å; D74-Y78 PolarHBondContact O-N 3.1Å; D74-A95 HydrophobicContact CB-CB 3.57Å; D74-R98 IonicContact OD1-CZ 3.78Å; D74-R98 IonicContact OD1-NH1 2.72Å; D74-R98 PolarHBondContact OD1-NH1 3.23Å; D74-R98 VanDerWaalsContact OD1-NH1 3.09Å; D74-R98 IonicContact OD2-CZ 3.92Å; D74-R98 IonicContact OD2-NH1 3.09Å; D74-R98 PolarHBondContact OD2-NH1 3.49Å; D74-Q99 PolarHBondContact OD2-NE2 3.45Å
75	S	97.3	Very high	97	Very high	4 Å²	4	86.8 Å²	86.8	3%	0.028	43%	0.433	C	S	.	.	H	α-helix	trans	-64.7	-39.9	179	-54.1	0	0	0	0	112.4	V71 I72 Y78 T79 A95	V71-S75 WeakPolarHBondContact O-CB 3.24Å; V71-S75 PolarHBondContact O-N 3Å; V71-S75 PolarHBondContact O-OG 3.43Å; I72-S75 PolarHBondContact O-N 3.39Å; I72-S75 VanDerWaalsContact O-N 3.17Å; S75-Y78 PolarHBondContact O-N 3.5Å; S75-T79 PolarHBondContact O-N 2.98Å; S75-T79 VanDerWaalsContact O-N 3.09Å; S75-T79 PolarHBondContact O-OG1 3.49Å; S75-A95 WeakPolarHBondContact OG-CB 3.39Å
76	V	97.7	Very high	97.1	Very high	53 Å²	53	84.6 Å²	84.6	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-40.8	176	171.5	0	0	0	0	110.3	I72 D74 Y78 T79 E80	I72-V76 HydrophobicContact CG2-CG2 4.1Å; I72-V76 WeakPolarHBondContact O-CG2 3.45Å; I72-V76 PolarHBondContact O-N 2.95Å; D74-V76 PolarHBondContact O-N 3.14Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-Y78 PolarHBondContact O-N 3.32Å; V76-T79 WeakPolarHBondContact O-CB 3.25Å; V76-T79 PolarHBondContact O-N 3.18Å; V76-E80 HydrophobicContact CG1-CG 4.13Å; V76-E80 WeakPolarHBondContact O-CG 3.44Å; V76-E80 PolarHBondContact O-N 3.4Å
77	A	97.4	Very high	97.1	Very high	52 Å²	52	84 Å²	84	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-40.9	176.1	0	0	0	0	0	112.7	R73 D74 H81	R73-A77 PolarHBondContact O-N 3.49Å; D74-A77 WeakPolarHBondContact O-CB 3.49Å; D74-A77 PolarHBondContact O-N 2.96Å; A77-H81 VanDerWaalsContact O-CB 3.27Å; A77-H81 WeakPolarHBondContact O-CB 3.47Å; A77-H81 PolarHBondContact O-N 3.45Å
78	Y	96.8	Very high	97.1	Very high	81 Å²	81	83.3 Å²	83.3	32%	0.318	43%	0.434	S	S	.	.	H	α-helix	trans	-66.1	-38.2	173.4	-73.3	-62.3	0	0	0	112.9	D74 S75 V76 H81 A82 D91 A95	D74-Y78 WeakPolarHBondContact O-CD2 3.47Å; D74-Y78 PolarHBondContact O-N 3.1Å; S75-Y78 PolarHBondContact O-N 3.5Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-Y78 PolarHBondContact O-N 3.32Å; Y78-H81 PolarHBondContact O-N 3.01Å; Y78-A82 WeakPolarHBondContact O-CB 3.24Å; Y78-A82 PolarHBondContact O-N 3.01Å; Y78-A82 VanDerWaalsContact O-N 3.11Å; Y78-D91 WeakPolarHBondContact CB-OD1 3.29Å; Y78-A95 HydrophobicContact CD2-CB 4.47Å; Y78-A95 HydrophobicContact CE2-CB 4.41Å
79	T	97.8	Very high	97.1	Very high	6 Å²	6	81.7 Å²	81.7	4%	0.037	43%	0.431	C	S	.	.	H	α-helix	trans	-64.6	-46.7	178.6	-57.1	0	0	0	0	111.3	S75 V76 A82 G83 R84 T86 V87 D91	S75-T79 PolarHBondContact O-N 2.98Å; S75-T79 VanDerWaalsContact O-N 3.09Å; S75-T79 PolarHBondContact O-OG1 3.49Å; V76-T79 WeakPolarHBondContact O-CB 3.25Å; V76-T79 PolarHBondContact O-N 3.18Å; T79-A82 PolarHBondContact O-N 2.78Å; T79-G83 PolarHBondContact O-N 3.09Å; T79-R84 HydrophobicContact CG2-CB 4.07Å; T79-R84 WeakPolarHBondContact CG2-O 3.46Å; T79-R84 PolarHBondContact O-N 3.13Å; T79-R84 VanDerWaalsContact O-N 3.09Å; T79-T86 WeakPolarHBondContact CG2-O 3.45Å; T79-V87 HydrophobicContact CG2-CG2 4.25Å; T79-D91 PolarHBondContact OG1-OD2 2.86Å
80	E	97.5	Very high	97	Very high	139 Å²	139	80.4 Å²	80.4	65%	0.65	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-44	176.9	-71.7	176.2	161.9	0	0	111.3	V76 A82 G83	V76-E80 HydrophobicContact CG1-CG 4.13Å; V76-E80 WeakPolarHBondContact O-CG 3.44Å; V76-E80 PolarHBondContact O-N 3.4Å; E80-A82 PolarHBondContact O-N 3.35Å; E80-G83 PolarHBondContact O-N 3.16Å
81	H	97.2	Very high	97	Very high	170 Å²	170	76.8 Å²	76.8	79%	0.787	40%	0.401	S	S	*	.	H	α-helix	trans	-59.5	-34.5	177	-178	63.7	0	0	0	112.7	A77 Y78 G83	A77-H81 VanDerWaalsContact O-CB 3.27Å; A77-H81 WeakPolarHBondContact O-CB 3.47Å; A77-H81 PolarHBondContact O-N 3.45Å; Y78-H81 PolarHBondContact O-N 3.01Å; H81-G83 VanDerWaalsContact C-N 3.27Å; H81-G83 PolarHBondContact O-N 3.33Å
82	A	96.6	Very high	97	Very high	53 Å²	53	78.8 Å²	78.8	44%	0.438	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.6	176.8	0	0	0	0	0	114.2	Y78 T79 E80 R84	Y78-A82 WeakPolarHBondContact O-CB 3.24Å; Y78-A82 PolarHBondContact O-N 3.01Å; Y78-A82 VanDerWaalsContact O-N 3.11Å; T79-A82 PolarHBondContact O-N 2.78Å; E80-A82 PolarHBondContact O-N 3.35Å; A82-R84 HydrophobicContact CB-CG 4.35Å; A82-R84 VanDerWaalsContact CB-NH2 3.28Å; A82-R84 PolarHBondContact O-N 3.43Å
83	G	96.9	Very high	96.9	Very high	72 Å²	72	75.1 Å²	75.1	74%	0.742	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	17.9	-177.4	0	0	0	0	0	114.3	T79 E80 H81	T79-G83 PolarHBondContact O-N 3.09Å; E80-G83 PolarHBondContact O-N 3.16Å; H81-G83 VanDerWaalsContact C-N 3.27Å; H81-G83 PolarHBondContact O-N 3.33Å
84	R	97.7	Very high	96.9	Very high	86 Å²	86	71.1 Å²	71.1	33%	0.325	38%	0.381	S	S	.	.			trans	-94.7	155	-178.1	-71.8	-178.2	-78.1	97.9	-4.1	110.9	T79 A82 T86 D91	T79-R84 HydrophobicContact CG2-CB 4.07Å; T79-R84 WeakPolarHBondContact CG2-O 3.46Å; T79-R84 PolarHBondContact O-N 3.13Å; T79-R84 VanDerWaalsContact O-N 3.09Å; A82-R84 HydrophobicContact CB-CG 4.35Å; A82-R84 VanDerWaalsContact CB-NH2 3.28Å; A82-R84 PolarHBondContact O-N 3.43Å; R84-T86 PolarHBondContact NH1-O 3.04Å; R84-T86 VanDerWaalsContact NH1-O 3.15Å; R84-D91 IonicContact CZ-OD1 3.59Å; R84-D91 IonicContact CZ-OD2 2.7Å; R84-D91 IonicContact NH1-OD1 2.78Å; R84-D91 IonicContact NH1-OD2 2.74Å; R84-D91 PolarHBondContact NH1-OD2 3.31Å; R84-D91 IonicContact NH2-OD1 3.86Å; R84-D91 PolarHBondContact NH2-OD1 3.04Å; R84-D91 IonicContact NH2-OD2 3.62Å; R84-D91 PolarHBondContact NH2-OD2 3.26Å
85	R	96.7	Very high	96.8	Very high	253 Å²	253	70 Å²	70	96%	0.955	38%	0.375	S	S	*	.	S	Bend	trans	-105.5	-1	171.9	-63.5	-177.1	179.9	175.7	-0	113.4
86	T	97.6	Very high	96.8	Very high	105 Å²	105	70.6 Å²	70.6	64%	0.644	38%	0.378	S	S	*	.	S	Bend	trans	-120.9	121.3	-178.9	-54.5	0	0	0	0	108.6	T79 R84 T88	T79-T86 WeakPolarHBondContact CG2-O 3.45Å; R84-T86 PolarHBondContact NH1-O 3.04Å; R84-T86 VanDerWaalsContact NH1-O 3.15Å; T86-T88 PolarHBondContact O-N 3.38Å
87	V	96.9	Very high	96.7	Very high	72 Å²	72	74.7 Å²	74.7	44%	0.436	39%	0.392	S	S	.	.			trans	-69.2	124.2	172.2	-176.3	0	0	0	0	108.3	T79 D91 V92	T79-V87 HydrophobicContact CG2-CG2 4.25Å; V87-D91 HydrophobicContact CG1-CB 4.08Å; V87-V92 HydrophobicContact CG1-CG2 4.09Å
88	T	96.4	Very high	96.6	Very high	53 Å²	53	80.2 Å²	80.2	33%	0.325	40%	0.401	S	S	.	.			trans	-94.1	163.9	178.8	66.8	0	0	0	0	110.7	T86 M90 D91	T86-T88 PolarHBondContact O-N 3.38Å; T88-M90 PolarHBondContact O-N 3.19Å; T88-D91 WeakPolarHBondContact CB-OD2 3.49Å; T88-D91 PolarHBondContact N-OD2 3.02Å; T88-D91 PolarHBondContact O-N 3.45Å; T88-D91 PolarHBondContact OG1-N 2.72Å; T88-D91 PolarHBondContact OG1-OD2 2.98Å
89	A	96	Very high	96.4	Very high	42 Å²	42	79 Å²	79	35%	0.347	40%	0.399	S	S	.	.	H	α-helix	trans	-57.9	-37.2	172.8	0	0	0	0	0	111.7	D91 V92 V93	A89-D91 PolarHBondContact O-N 3.43Å; A89-V92 PolarHBondContact O-N 3.21Å; A89-V93 WeakPolarHBondContact O-CG2 3.07Å; A89-V93 PolarHBondContact O-N 3.33Å
90	M	95.6	Very high	96.2	Very high	51 Å²	51	82 Å²	82	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-64.9	-37.3	179.3	-68.2	-53.3	-59.4	0	0	113	T88 V92 V93 Y94	T88-M90 PolarHBondContact O-N 3.19Å; M90-V92 PolarHBondContact O-N 3.35Å; M90-V93 PolarHBondContact O-N 3.43Å; M90-Y94 HydrophobicContact CB-CD2 4.49Å; M90-Y94 HydrophobicContact CB-CE2 4.06Å; M90-Y94 HydrophobicContact CE-CE1 3.71Å; M90-Y94 HydrophobicContact CE-CE2 4.13Å; M90-Y94 VanDerWaalsContact CE-CZ 3.46Å; M90-Y94 VanDerWaalsContact CE-OH 3.32Å; M90-Y94 WeakPolarHBondContact CE-OH 3.28Å; M90-Y94 WeakPolarHBondContact O-CD2 3.45Å; M90-Y94 VanDerWaalsContact O-CG 3.24Å; M90-Y94 PolarHBondContact O-N 3.33Å
91	D	96.4	Very high	96	Very high	3 Å²	3	82.3 Å²	82.3	2%	0.016	43%	0.426	C	S	.	.	H	α-helix	trans	-59.4	-40.3	175.6	-59.9	-48.9	0	0	0	111.3	Y78 T79 R84 V87 T88 A89 A95	Y78-D91 WeakPolarHBondContact CB-OD1 3.29Å; T79-D91 PolarHBondContact OG1-OD2 2.86Å; R84-D91 IonicContact CZ-OD1 3.59Å; R84-D91 IonicContact CZ-OD2 2.7Å; R84-D91 IonicContact NH1-OD1 2.78Å; R84-D91 IonicContact NH1-OD2 2.74Å; R84-D91 PolarHBondContact NH1-OD2 3.31Å; R84-D91 IonicContact NH2-OD1 3.86Å; R84-D91 PolarHBondContact NH2-OD1 3.04Å; R84-D91 IonicContact NH2-OD2 3.62Å; R84-D91 PolarHBondContact NH2-OD2 3.26Å; V87-D91 HydrophobicContact CG1-CB 4.08Å; T88-D91 WeakPolarHBondContact CB-OD2 3.49Å; T88-D91 PolarHBondContact N-OD2 3.02Å; T88-D91 PolarHBondContact O-N 3.45Å; T88-D91 PolarHBondContact OG1-N 2.72Å; T88-D91 PolarHBondContact OG1-OD2 2.98Å; A89-D91 PolarHBondContact O-N 3.43Å; D91-A95 WeakPolarHBondContact O-CB 3.44Å; D91-A95 PolarHBondContact O-N 3.16Å
92	V	96.8	Very high	95.9	Very high	50 Å²	50	78 Å²	78	30%	0.303	41%	0.411	S	S	.	.	H	α-helix	trans	-70.1	-42	176.9	-176.9	0	0	0	0	111.2	V71 V87 A89 M90 Y94 A95 L96	V71-V92 HydrophobicContact CG1-CG1 4.2Å; V87-V92 HydrophobicContact CG1-CG2 4.09Å; A89-V92 PolarHBondContact O-N 3.21Å; M90-V92 PolarHBondContact O-N 3.35Å; V92-Y94 VanDerWaalsContact C-N 3.31Å; V92-Y94 PolarHBondContact O-N 3.2Å; V92-A95 PolarHBondContact O-N 3Å; V92-L96 HydrophobicContact CG1-CD1 3.99Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CB 3.39Å; V92-L96 VanDerWaalsContact O-CG 3.27Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 3.37Å
93	V	96.5	Very high	95.7	Very high	17 Å²	17	79 Å²	79	10%	0.103	41%	0.409	C	S	.	.	H	α-helix	trans	-60.6	-41.8	176	171.9	0	0	0	0	110.8	A89 M90 L96 K97 F106	A89-V93 WeakPolarHBondContact O-CG2 3.07Å; A89-V93 PolarHBondContact O-N 3.33Å; M90-V93 PolarHBondContact O-N 3.43Å; V93-L96 PolarHBondContact O-N 2.69Å; V93-K97 WeakPolarHBondContact O-CB 3.28Å; V93-K97 PolarHBondContact O-N 3.36Å; V93-F106 HydrophobicContact CG2-CB 3.76Å
94	Y	95.5	Very high	95.6	Very high	109 Å²	109	84.6 Å²	84.6	43%	0.427	41%	0.409	S	S	.	.	H	α-helix	trans	-68.6	-43.1	176.9	-63.3	-36.5	0	0	0	112.5	M90 V92 L96 K97 R98	M90-Y94 HydrophobicContact CB-CD2 4.49Å; M90-Y94 HydrophobicContact CB-CE2 4.06Å; M90-Y94 HydrophobicContact CE-CE1 3.71Å; M90-Y94 HydrophobicContact CE-CE2 4.13Å; M90-Y94 VanDerWaalsContact CE-CZ 3.46Å; M90-Y94 VanDerWaalsContact CE-OH 3.32Å; M90-Y94 WeakPolarHBondContact CE-OH 3.28Å; M90-Y94 WeakPolarHBondContact O-CD2 3.45Å; M90-Y94 VanDerWaalsContact O-CG 3.24Å; M90-Y94 PolarHBondContact O-N 3.33Å; V92-Y94 VanDerWaalsContact C-N 3.31Å; V92-Y94 PolarHBondContact O-N 3.2Å; Y94-L96 VanDerWaalsContact C-N 3.31Å; Y94-L96 PolarHBondContact O-N 2.72Å; Y94-K97 PolarHBondContact O-N 2.67Å; Y94-R98 WeakPolarHBondContact O-CB 3.39Å; Y94-R98 PolarHBondContact O-N 2.98Å
95	A	96.5	Very high	95.4	Very high	0 Å²	0	84 Å²	84	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-56.7	-45.5	173	0	0	0	0	0	112.1	V71 D74 S75 Y78 D91 V92 R98 Q99	V71-A95 HydrophobicContact CG1-CB 4.46Å; D74-A95 HydrophobicContact CB-CB 3.57Å; S75-A95 WeakPolarHBondContact OG-CB 3.39Å; Y78-A95 HydrophobicContact CD2-CB 4.47Å; Y78-A95 HydrophobicContact CE2-CB 4.41Å; D91-A95 WeakPolarHBondContact O-CB 3.44Å; D91-A95 PolarHBondContact O-N 3.16Å; V92-A95 PolarHBondContact O-N 3Å; A95-R98 WeakPolarHBondContact O-CB 3.26Å; A95-R98 PolarHBondContact O-N 2.88Å; A95-Q99 WeakPolarHBondContact O-CG 3.32Å; A95-Q99 PolarHBondContact O-N 3.3Å
96	L	96.9	Very high	95.1	Very high	16 Å²	16	76.5 Å²	76.5	8%	0.084	40%	0.404	C	S	.	.	H	α-helix	trans	-66.3	-41.9	177.7	-74.6	172.5	0	0	0	112.2	F67 V71 V92 V93 Y94 R98 Q99 G100 R101 L103	F67-L96 HydrophobicContact CZ-CD2 4.17Å; V71-L96 HydrophobicContact CG1-CD2 4.01Å; V71-L96 HydrophobicContact CG1-CG 4.12Å; V71-L96 HydrophobicContact CG2-CD2 3.73Å; V92-L96 HydrophobicContact CG1-CD1 3.99Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CB 3.39Å; V92-L96 VanDerWaalsContact O-CG 3.27Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 3.37Å; V93-L96 PolarHBondContact O-N 2.69Å; Y94-L96 VanDerWaalsContact C-N 3.31Å; Y94-L96 PolarHBondContact O-N 2.72Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 3.39Å; L96-Q99 CarbonylContact O-C 3.53Å; L96-Q99 PolarHBondContact O-N 3.21Å; L96-Q99 VanDerWaalsContact O-N 3.13Å; L96-G100 PolarHBondContact O-N 2.94Å; L96-R101 CarbonylContact C-O 3.55Å; L96-R101 HydrophobicContact CB-CB 4.46Å; L96-R101 WeakPolarHBondContact CB-O 3.44Å; L96-R101 HydrophobicContact CD2-CB 4.3Å; L96-R101 CarbonylContact O-C 3.53Å; L96-R101 WeakPolarHBondContact O-CA 3.22Å; L96-R101 PolarHBondContact O-N 3.35Å; L96-L103 HydrophobicContact CD1-CB 4Å; L96-L103 HydrophobicContact CD1-CD2 3.67Å; L96-L103 HydrophobicContact CD1-CG 4.47Å
97	K	95.5	Very high	94.2	Very high	139 Å²	139	77.9 Å²	77.9	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-60.6	-41.9	175.2	-174.5	175.6	179.9	-179.8	0	111.6	V93 Y94 Q99 G100	V93-K97 WeakPolarHBondContact O-CB 3.28Å; V93-K97 PolarHBondContact O-N 3.36Å; Y94-K97 PolarHBondContact O-N 2.67Å; K97-Q99 PolarHBondContact O-N 3.14Å; K97-G100 PolarHBondContact O-N 3.28Å
98	R	94.6	Very high	92.9	Very high	167 Å²	167	82.1 Å²	82.1	63%	0.63	44%	0.44	S	S	*	.	H	α-helix	trans	-59.3	-34.6	175	-178.4	-178.4	175.7	-88.5	-3.7	112.4	D74 Y94 A95 L96 G100	D74-R98 IonicContact OD1-CZ 3.78Å; D74-R98 IonicContact OD1-NH1 2.72Å; D74-R98 PolarHBondContact OD1-NH1 3.23Å; D74-R98 VanDerWaalsContact OD1-NH1 3.09Å; D74-R98 IonicContact OD2-CZ 3.92Å; D74-R98 IonicContact OD2-NH1 3.09Å; D74-R98 PolarHBondContact OD2-NH1 3.49Å; Y94-R98 WeakPolarHBondContact O-CB 3.39Å; Y94-R98 PolarHBondContact O-N 2.98Å; A95-R98 WeakPolarHBondContact O-CB 3.26Å; A95-R98 PolarHBondContact O-N 2.88Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 3.39Å; R98-G100 VanDerWaalsContact C-N 3.27Å; R98-G100 PolarHBondContact O-N 3.1Å
99	Q	92	Very high	92.8	Very high	57 Å²	57	83.6 Å²	83.6	27%	0.266	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10.3	177.2	-64.6	179.7	8.1	0	0	113.9	N70 V71 D74 A95 L96 K97	N70-Q99 PolarHBondContact O-NE2 3.07Å; N70-Q99 VanDerWaalsContact O-NE2 3.1Å; V71-Q99 VanDerWaalsContact CG2-OE1 3.32Å; D74-Q99 PolarHBondContact OD2-NE2 3.45Å; A95-Q99 WeakPolarHBondContact O-CG 3.32Å; A95-Q99 PolarHBondContact O-N 3.3Å; L96-Q99 CarbonylContact O-C 3.53Å; L96-Q99 PolarHBondContact O-N 3.21Å; L96-Q99 VanDerWaalsContact O-N 3.13Å; K97-Q99 PolarHBondContact O-N 3.14Å
100	G	95	Very high	92.6	Very high	68 Å²	68	85.8 Å²	85.8	70%	0.701	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	20.6	-179.6	0	0	0	0	0	114.5	L96 K97 R98	L96-G100 PolarHBondContact O-N 2.94Å; K97-G100 PolarHBondContact O-N 3.28Å; R98-G100 VanDerWaalsContact C-N 3.27Å; R98-G100 PolarHBondContact O-N 3.1Å
101	R	93.9	Very high	92.4	Very high	146 Å²	146	87.7 Å²	87.7	55%	0.551	46%	0.462	S	S	*	.			trans	-119.6	68.5	-176.6	-64.2	-179.6	-179.1	-115.8	-0.5	111.5	L96 L103	L96-R101 CarbonylContact C-O 3.55Å; L96-R101 HydrophobicContact CB-CB 4.46Å; L96-R101 WeakPolarHBondContact CB-O 3.44Å; L96-R101 HydrophobicContact CD2-CB 4.3Å; L96-R101 CarbonylContact O-C 3.53Å; L96-R101 WeakPolarHBondContact O-CA 3.22Å; L96-R101 PolarHBondContact O-N 3.35Å; R101-L103 PolarHBondContact O-N 3.37Å
102	T	93.2	Very high	92.2	Very high	79 Å²	79	92.7 Å²	92.7	49%	0.485	49%	0.488	S	S	.	.			trans	-59.1	124	179.6	-54.3	0	0	0	0	111.5	Y104	T102-Y104 HydrophobicContact CG2-CE1 4.15Å; T102-Y104 HydrophobicContact CG2-CE2 4.2Å
103	L	94.1	Very high	91.9	Very high	73 Å²	73	95.4 Å²	95.4	38%	0.382	50%	0.5	S	S	.	.			trans	-111.7	128.3	179	-175	64.4	0	0	0	110.1	L96 R101 F106	L96-L103 HydrophobicContact CD1-CB 4Å; L96-L103 HydrophobicContact CD1-CD2 3.67Å; L96-L103 HydrophobicContact CD1-CG 4.47Å; R101-L103 PolarHBondContact O-N 3.37Å; L103-F106 HydrophobicContact CD1-CD2 4.47Å; L103-F106 HydrophobicContact CD1-CE2 3.98Å; L103-F106 HydrophobicContact CD2-CD2 3.59Å; L103-F106 HydrophobicContact CD2-CE2 3.42Å; L103-F106 VanDerWaalsContact CD2-CE2 3.42Å; L103-F106 HydrophobicContact CD2-CG 4.41Å; L103-F106 HydrophobicContact CD2-CZ 4.12Å; L103-F106 HydrophobicContact CG-CD2 3.64Å; L103-F106 HydrophobicContact CG-CE2 3.58Å
104	Y	93.6	Very high	91.6	Very high	191 Å²	191	100.6 Å²	100.6	75%	0.749	53%	0.526	S	S	*	.			trans	-100.6	153.9	178.7	-59.9	-78.4	0	0	0	111.4	T102 F106	T102-Y104 HydrophobicContact CG2-CE1 4.15Å; T102-Y104 HydrophobicContact CG2-CE2 4.2Å; Y104-F106 WeakPolarHBondContact O-CD2 3.23Å
105	G	93.8	Very high	91.3	Very high	72 Å²	72	100 Å²	100	74%	0.742	53%	0.533	S	S	*	.	S	Bend	trans	95.9	13.5	172.6	0	0	0	0	0	116.5
106	F	90.2	Very high	90.9	Very high	97 Å²	97	107.7 Å²	107.7	43%	0.425	57%	0.574	S	S	.	*			trans	-123.6	26.1	-175	-66.3	-90.9	0	0	0	114	V93 L103 Y104 S108	V93-F106 HydrophobicContact CG2-CB 3.76Å; L103-F106 HydrophobicContact CD1-CD2 4.47Å; L103-F106 HydrophobicContact CD1-CE2 3.98Å; L103-F106 HydrophobicContact CD2-CD2 3.59Å; L103-F106 HydrophobicContact CD2-CE2 3.42Å; L103-F106 VanDerWaalsContact CD2-CE2 3.42Å; L103-F106 HydrophobicContact CD2-CG 4.41Å; L103-F106 HydrophobicContact CD2-CZ 4.12Å; L103-F106 HydrophobicContact CG-CD2 3.64Å; L103-F106 HydrophobicContact CG-CE2 3.58Å; Y104-F106 WeakPolarHBondContact O-CD2 3.23Å; F106-S108 VanDerWaalsContact C-N 3.26Å; F106-S108 PolarHBondContact O-N 3.49Å
107	N	78.8	Confident	90.4	Very high	133 Å²	133	115.3 Å²	115.3	71%	0.711	62%	0.615	S	S	*	*			trans	-89.1	38.8	180	-59.6	-50.5	0	0	0	113
108	S	70.5	Confident	90	Very high	162 Å²	162	113.2 Å²	113.2	100%	1.133	62%	0.616	S	S	*	*			trans	-102.1	0	-179.6	62.1	0	0	0	0	112.6	F106	F106-S108 VanDerWaalsContact C-N 3.26Å; F106-S108 PolarHBondContact O-N 3.49Å

Retrieved 108 of 108 residues in 175.9 ms (Link to these results)

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