A0A077Z6S6_TRITR Loading...

Histone domain containing protein

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

AlphaFold DB , UniProt , Accession A0A077Z6S6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077Z6S6_TRITR|A0A077Z6S6
MPGQSTEEDVKQAGSSRATKSSGDKKRRKKRKESFCIYFYKMLKLYHSELGISSKSMWIMNSFVNDMFDRIASEASRLAQHSKRMTIGAREVQAAVRLLLPGELSMHAVNKGTKAVNKYMSFK
					

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	43.4	Very low	41.4	Very low	240 Å²	240	159.5 Å²	159.5	100%	1.182	87%	0.873	S	S	*	*				0	97.5	0	-66.9	-59.2	-175.8	0	0	109.9
2	P	39.2	Very low	41.4	Very low	135 Å²	135	162.2 Å²	162.2	88%	0.877	88%	0.875	S	S	*	*			trans	-123.8	129.3	147.9	31.5	-17.9	0	0	0	110
3	G	38.5	Very low	41.3	Very low	73 Å²	73	157.6 Å²	157.6	75%	0.753	87%	0.873	S	S	*	*			trans	-169	107.5	179.3	0	0	0	0	0	112.5
4	Q	43.9	Very low	41.1	Very low	192 Å²	192	151.9 Å²	151.9	90%	0.897	87%	0.868	S	S	*	*			trans	56.4	117.8	143.4	-61.6	176.1	-3.4	0	0	120.4
5	S	44.5	Very low	40.8	Very low	118 Å²	118	149 Å²	149	83%	0.825	86%	0.861	S	S	*	*				-175.5	104.1	116.3	28.9	0	0	0	0	109.8
6	T	41.3	Very low	40.6	Very low	144 Å²	144	146.4 Å²	146.4	88%	0.883	85%	0.854	S	S	*	*			trans	-90.6	117	160.8	44.9	0	0	0	0	106.9
7	E	45.2	Very low	40.8	Very low	192 Å²	192	151.2 Å²	151.2	90%	0.897	85%	0.854	S	S	*	*			trans	-137.6	99.2	168.9	-143.9	166.3	-165.3	0	0	108
8	E	35.6	Very low	41	Very low	184 Å²	184	148.3 Å²	148.3	86%	0.86	85%	0.852	S	S	*	*			trans	-88	122.2	165.7	-71.6	-177.1	133	0	0	107.8
9	D	37.2	Very low	41.5	Very low	156 Å²	156	146.2 Å²	146.2	83%	0.834	84%	0.842	S	S	*	*			trans	175	132.3	154.6	-106.4	-48.1	0	0	0	106.1
10	V	46.1	Very low	41.7	Very low	117 Å²	117	149.4 Å²	149.4	71%	0.709	85%	0.846	S	S	*	*			cis	-156.2	134.4	41.2	171.7	0	0	0	0	108.8	Q12	V10-Q12 PolarHBondContact O-N 3.29Å
11	K	41	Very low	42.2	Very low	203 Å²	203	147 Å²	147	88%	0.883	84%	0.839	S	S	*	*			trans	-63.8	110.5	165.5	-77.1	169	172.5	169.1	0	110.6
12	Q	40.8	Very low	42.7	Very low	192 Å²	192	140.4 Å²	140.4	90%	0.897	82%	0.816	S	S	*	*			trans	-92.9	95.1	159.3	-98.2	-176.6	-12.3	0	0	110.3	V10 G14	V10-Q12 PolarHBondContact O-N 3.29Å; Q12-G14 PolarHBondContact O-N 2.95Å; Q12-G14 VanDerWaalsContact O-N 3.14Å
13	A	40	Very low	43.1	Very low	103 Å²	103	137.6 Å²	137.6	85%	0.851	81%	0.812	S	S	*	*			trans	-75.9	85.2	168.6	0	0	0	0	0	110	S15	A13-S15 PolarHBondContact O-N 3.46Å
14	G	38.4	Very low	44	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	82%	0.816	S	S	*	*			trans	-92.1	87.1	169.7	0	0	0	0	0	110.9	Q12	Q12-G14 PolarHBondContact O-N 2.95Å; Q12-G14 VanDerWaalsContact O-N 3.14Å
15	S	36.5	Very low	44.8	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	81%	0.812	S	S	*	*			trans	-63	146.3	173.8	178.4	0	0	0	0	112.4	A13	A13-S15 PolarHBondContact O-N 3.46Å
16	S	38.2	Very low	45.7	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	82%	0.815	S	S	*	*			trans	77.9	92.9	150.4	72.5	0	0	0	0	119.4
17	R	43.2	Very low	46.9	Very low	228 Å²	228	149.9 Å²	149.9	86%	0.86	82%	0.815	S	S	*	*				-150.8	90.5	125.2	-140.8	165.5	-174.9	155.9	0.3	110.6	T19	R17-T19 HydrophobicContact CG-CG2 4.38Å; R17-T19 PolarHBondContact O-N 3.26Å
18	A	45.3	Very low	48	Very low	99 Å²	99	152.4 Å²	152.4	82%	0.818	82%	0.817	S	S	*	*			trans	-67.5	76.9	165.2	0	0	0	0	0	109.3	K20	A18-K20 VanDerWaalsContact C-N 3.28Å; A18-K20 PolarHBondContact O-N 2.95Å
19	T	50.6	Low	49.7	Very low	109 Å²	109	153.3 Å²	153.3	67%	0.669	82%	0.818	S	S	*	*			trans	-75.4	90.7	162.2	39.3	0	0	0	0	107.6	R17 S21	R17-T19 HydrophobicContact CG-CG2 4.38Å; R17-T19 PolarHBondContact O-N 3.26Å; T19-S21 PolarHBondContact O-N 3.28Å
20	K	45.9	Very low	51.4	Low	209 Å²	209	155.4 Å²	155.4	91%	0.909	82%	0.819	S	S	*	*			trans	-58	76.1	159.1	-81.6	174.4	169.1	171.2	0	108.9	A18 S22	A18-K20 VanDerWaalsContact C-N 3.28Å; A18-K20 PolarHBondContact O-N 2.95Å; K20-S22 PolarHBondContact O-N 2.71Å
21	S	52.5	Low	52.7	Low	101 Å²	101	160.1 Å²	160.1	71%	0.706	83%	0.825	S	S	*	*			trans	-80.4	83.4	165.7	59.6	0	0	0	0	108	T19 G23	T19-S21 PolarHBondContact O-N 3.28Å; S21-G23 PolarHBondContact O-N 2.97Å
22	S	52.8	Low	54.3	Low	101 Å²	101	158.2 Å²	158.2	71%	0.706	82%	0.816	S	S	*	*			trans	14.3	98	143.9	56.9	0	0	0	0	115.5	K20 D24	K20-S22 PolarHBondContact O-N 2.71Å; S22-D24 PolarHBondContact O-N 3.45Å
23	G	48.5	Very low	56.3	Low	76 Å²	76	157.3 Å²	157.3	78%	0.784	81%	0.812	S	S	*	*				35.7	37.9	126.6	0	0	0	0	0	119.3	S21 K25	S21-G23 PolarHBondContact O-N 2.97Å; G23-K25 PolarHBondContact O-N 3.26Å
24	D	56.9	Low	58.8	Low	157 Å²	157	154.7 Å²	154.7	84%	0.84	79%	0.787	S	S	*	*			trans	-74.7	81.7	171.7	-148.4	-3.1	0	0	0	105.7	S22 K26	S22-D24 PolarHBondContact O-N 3.45Å; D24-K26 PolarHBondContact O-N 3.41Å
25	K	61	Low	61.4	Low	189 Å²	189	154.7 Å²	154.7	82%	0.822	77%	0.765	S	S	*	*			trans	-53.1	89.5	175.2	-80.3	174.7	179	166.5	0	105.8	G23 R27	G23-K25 PolarHBondContact O-N 3.26Å; K25-R27 VanDerWaalsContact C-N 3.26Å; K25-R27 WeakPolarHBondContact O-CA 3.5Å; K25-R27 PolarHBondContact O-N 2.93Å
26	K	63.5	Low	64.2	Low	200 Å²	200	151.3 Å²	151.3	87%	0.87	74%	0.742	S	S	*	*			trans	-36.6	93.4	-179.5	-151.5	176.5	-166.9	174.3	0	106.8	D24 R28	D24-K26 PolarHBondContact O-N 3.41Å; K26-R28 PolarHBondContact O-N 3.17Å
27	R	66.6	Low	66.8	Low	239 Å²	239	151.2 Å²	151.2	90%	0.902	73%	0.731	S	S	*	*			trans	-51	112.8	-171.9	-103.1	177	165.5	-178.3	-3.4	104.4	K25 K29	K25-R27 VanDerWaalsContact C-N 3.26Å; K25-R27 WeakPolarHBondContact O-CA 3.5Å; K25-R27 PolarHBondContact O-N 2.93Å; R27-K29 PolarHBondContact O-N 3.48Å
28	R	67.7	Low	69.3	Low	245 Å²	245	147.6 Å²	147.6	93%	0.925	72%	0.719	S	S	*	*			trans	-47.9	106.8	-176.8	-101.9	179.3	156.4	-179.3	-5.2	106	K26 K30	K26-R28 PolarHBondContact O-N 3.17Å; R28-K30 PolarHBondContact O-N 3.4Å
29	K	71.9	Confident	71.7	Confident	203 Å²	203	144 Å²	144	88%	0.883	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-54.2	117.6	-172.8	-169.1	176.3	-176	175.2	0	105.8	R27 R31	R27-K29 PolarHBondContact O-N 3.48Å; K29-R31 PolarHBondContact O-N 2.93Å
30	K	72.2	Confident	73.8	Confident	199 Å²	199	144 Å²	144	87%	0.865	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-49.9	122.6	-177.5	-168.9	173.1	-177.9	179.5	0	106.7	R28 K32	R28-K30 PolarHBondContact O-N 3.4Å; K30-K32 PolarHBondContact O-N 3.29Å
31	R	72.7	Confident	76.2	Confident	217 Å²	217	140.9 Å²	140.9	82%	0.819	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54.2	116.5	-176.4	178.4	175.8	172.8	-177.7	-3.4	107	K29 E33	K29-R31 PolarHBondContact O-N 2.93Å; R31-E33 PolarHBondContact O-N 3.16Å
32	K	75.3	Confident	78.1	Confident	163 Å²	163	141 Å²	141	71%	0.709	65%	0.651	S	S	*	*			trans	-72.1	112.1	174.4	-169.9	171.5	-177.3	175.7	0	106.4	K30	K30-K32 PolarHBondContact O-N 3.29Å
33	E	82.9	Confident	80.2	Confident	173 Å²	173	138 Å²	138	81%	0.808	63%	0.626	S	S	*	*			trans	-64.4	136.9	171.2	-66.6	177.9	176.4	0	0	108.5	R31	R31-E33 PolarHBondContact O-N 3.16Å
34	S	92.1	Very high	82.4	Confident	48 Å²	48	139.7 Å²	139.7	34%	0.336	61%	0.612	S	S	.	*			trans	-156.1	145	-176.5	175.7	0	0	0	0	110.2	C36 N61	S34-C36 VanDerWaalsContact C-N 3.28Å; S34-C36 PolarHBondContact O-N 3.15Å; S34-C36 PolarHBondContact OG-N 2.89Å; S34-C36 VanDerWaalsContact OG-N 3.16Å; S34-C36 PolarHBondContact OG-SG 3.42Å; S34-N61 WeakPolarHBondContact CA-OD1 3.24Å; S34-N61 PolarHBondContact OG-OD1 2.93Å
35	F	94.1	Very high	84.2	Confident	77 Å²	77	138.5 Å²	138.5	34%	0.338	61%	0.605	S	S	.	*	S	Bend	trans	-85.9	4.3	176.2	-62.8	-84.6	0	0	0	113.2	I37 Y38 F39 N61 V64	F35-I37 VanDerWaalsContact C-N 3.26Å; F35-I37 PolarHBondContact O-N 3.02Å; F35-I37 VanDerWaalsContact O-N 3.1Å; F35-Y38 HydrophobicContact CB-CD2 4.47Å; F35-Y38 HydrophobicContact CD1-CD2 4.07Å; F35-Y38 HydrophobicContact CD1-CE2 4.5Å; F35-Y38 WeakPolarHBondContact O-CB 3.38Å; F35-Y38 PolarHBondContact O-N 3.3Å; F35-F39 HydrophobicContact CB-CD2 4.18Å; F35-F39 HydrophobicContact CB-CE2 3.54Å; F35-F39 HydrophobicContact CB-CZ 3.81Å; F35-F39 VanDerWaalsContact O-CD2 3.31Å; F35-F39 WeakPolarHBondContact O-CD2 3.46Å; F35-F39 PolarHBondContact O-N 2.76Å; F35-F39 VanDerWaalsContact O-N 3.1Å; F35-N61 PolarHBondContact N-OD1 2.95Å; F35-V64 HydrophobicContact CD1-CG1 4.3Å; F35-V64 HydrophobicContact CD2-CB 4.35Å; F35-V64 HydrophobicContact CD2-CG1 3.72Å; F35-V64 HydrophobicContact CE1-CG1 4.38Å; F35-V64 HydrophobicContact CE2-CG1 3.81Å; F35-V64 HydrophobicContact CG-CG1 3.98Å; F35-V64 HydrophobicContact CZ-CG1 4.14Å
36	C	93.9	Very high	85.8	Confident	38 Å²	38	135.8 Å²	135.8	26%	0.257	59%	0.59	S	S	.	*	H	α-helix	trans	-47.4	-44.5	-177.6	-68.5	0	0	0	0	114	S34 Y38 F39 Y40 M57	S34-C36 VanDerWaalsContact C-N 3.28Å; S34-C36 PolarHBondContact O-N 3.15Å; S34-C36 PolarHBondContact OG-N 2.89Å; S34-C36 VanDerWaalsContact OG-N 3.16Å; S34-C36 PolarHBondContact OG-SG 3.42Å; C36-Y38 VanDerWaalsContact C-N 3.28Å; C36-Y38 PolarHBondContact O-N 3.4Å; C36-F39 PolarHBondContact O-N 2.89Å; C36-Y40 WeakPolarHBondContact O-CD2 3.49Å; C36-Y40 PolarHBondContact O-N 2.71Å; C36-M57 HydrophobicContact CB-CE 4.45Å; C36-M57 HydrophobicContact CB-CG 4.06Å; C36-M57 HydrophobicContact CB-SD 3.92Å; C36-M57 WeakPolarHBondContact SG-CG 3.49Å
37	I	94	Very high	87.3	Confident	104 Å²	104	130.6 Å²	130.6	53%	0.533	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-38.7	-177.9	-60.6	173.3	0	0	0	110.6	F35 Y40 K41	F35-I37 VanDerWaalsContact C-N 3.26Å; F35-I37 PolarHBondContact O-N 3.02Å; F35-I37 VanDerWaalsContact O-N 3.1Å; I37-Y40 PolarHBondContact O-N 3.46Å; I37-K41 WeakPolarHBondContact O-CG 3.4Å; I37-K41 PolarHBondContact O-N 2.84Å
38	Y	95.3	Very high	88.6	Confident	152 Å²	152	123 Å²	123	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-73.2	-37	179	-58.6	-72.2	0	0	0	111.8	F35 C36 Y40 K41 M42	F35-Y38 HydrophobicContact CB-CD2 4.47Å; F35-Y38 HydrophobicContact CD1-CD2 4.07Å; F35-Y38 HydrophobicContact CD1-CE2 4.5Å; F35-Y38 WeakPolarHBondContact O-CB 3.38Å; F35-Y38 PolarHBondContact O-N 3.3Å; C36-Y38 VanDerWaalsContact C-N 3.28Å; C36-Y38 PolarHBondContact O-N 3.4Å; Y38-Y40 VanDerWaalsContact C-N 3.35Å; Y38-K41 PolarHBondContact O-N 2.95Å; Y38-M42 VanDerWaalsContact O-CB 3.32Å; Y38-M42 WeakPolarHBondContact O-CB 3.28Å; Y38-M42 PolarHBondContact O-N 3.25Å
39	F	95.4	Very high	90	Very high	25 Å²	25	117.8 Å²	117.8	11%	0.11	54%	0.539	C	S	.	.	H	α-helix	trans	-63.6	-40	172.5	-60.6	-50.8	0	0	0	112.1	F35 C36 M42 L43 M57 M60 N61 V64	F35-F39 HydrophobicContact CB-CD2 4.18Å; F35-F39 HydrophobicContact CB-CE2 3.54Å; F35-F39 HydrophobicContact CB-CZ 3.81Å; F35-F39 VanDerWaalsContact O-CD2 3.31Å; F35-F39 WeakPolarHBondContact O-CD2 3.46Å; F35-F39 PolarHBondContact O-N 2.76Å; F35-F39 VanDerWaalsContact O-N 3.1Å; C36-F39 PolarHBondContact O-N 2.89Å; F39-M42 PolarHBondContact O-N 3.29Å; F39-L43 WeakPolarHBondContact O-CB 3.23Å; F39-L43 PolarHBondContact O-N 3Å; F39-M57 HydrophobicContact CB-CE 3.91Å; F39-M57 HydrophobicContact CB-SD 3.77Å; F39-M57 HydrophobicContact CD2-SD 3.54Å; F39-M57 VanDerWaalsContact CD2-SD 3.54Å; F39-M57 HydrophobicContact CG-SD 4.09Å; F39-M60 HydrophobicContact CD1-CB 4.39Å; F39-M60 HydrophobicContact CD1-CE 4.11Å; F39-M60 HydrophobicContact CD2-CB 3.93Å; F39-M60 HydrophobicContact CE1-CB 4.19Å; F39-M60 HydrophobicContact CE1-CE 4.02Å; F39-M60 HydrophobicContact CE2-CB 3.71Å; F39-M60 HydrophobicContact CG-CB 4.27Å; F39-M60 HydrophobicContact CZ-CB 3.85Å; F39-M60 VanDerWaalsContact CZ-O 3.28Å; F39-M60 WeakPolarHBondContact CZ-O 3.32Å; F39-N61 HydrophobicContact CE2-CB 4.23Å; F39-V64 HydrophobicContact CE1-CG2 3.7Å; F39-V64 HydrophobicContact CZ-CB 4.03Å; F39-V64 HydrophobicContact CZ-CG2 3.42Å; F39-V64 VanDerWaalsContact CZ-CG2 3.42Å
40	Y	94.5	Very high	91.1	Very high	109 Å²	109	112.1 Å²	112.1	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-44	173.8	-80.8	-60.8	0	0	0	112.3	C36 I37 Y38 M42 L43 K44 I52 M57	C36-Y40 WeakPolarHBondContact O-CD2 3.49Å; C36-Y40 PolarHBondContact O-N 2.71Å; I37-Y40 PolarHBondContact O-N 3.46Å; Y38-Y40 VanDerWaalsContact C-N 3.35Å; Y40-M42 VanDerWaalsContact C-N 3.31Å; Y40-M42 PolarHBondContact O-N 3.42Å; Y40-L43 PolarHBondContact O-N 2.85Å; Y40-K44 WeakPolarHBondContact O-CG 3.22Å; Y40-K44 PolarHBondContact O-N 3.48Å; Y40-I52 HydrophobicContact CD1-CG2 4.04Å; Y40-I52 HydrophobicContact CE1-CG2 3.47Å; Y40-I52 VanDerWaalsContact CE1-CG2 3.47Å; Y40-M57 HydrophobicContact CD1-CE 4.09Å; Y40-M57 HydrophobicContact CD2-CE 3.65Å; Y40-M57 HydrophobicContact CE1-CE 3.88Å; Y40-M57 HydrophobicContact CE2-CE 3.42Å; Y40-M57 VanDerWaalsContact CE2-CE 3.42Å; Y40-M57 HydrophobicContact CG-CE 3.97Å
41	K	95.9	Very high	92.1	Very high	143 Å²	143	106 Å²	106	62%	0.622	51%	0.511	S	S	*	.	H	α-helix	trans	-61.4	-41.3	174.9	-72.4	-177.3	-178.2	-167.3	0	111.8	I37 Y38 L45	I37-K41 WeakPolarHBondContact O-CG 3.4Å; I37-K41 PolarHBondContact O-N 2.84Å; Y38-K41 PolarHBondContact O-N 2.95Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.35Å; K41-L45 VanDerWaalsContact O-N 3.12Å
42	M	93.8	Very high	93.2	Very high	104 Å²	104	98 Å²	98	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-65.2	-47.3	177.1	-168.6	-175.2	179.9	0	0	111	Y38 F39 Y40 K44 L45 Y46	Y38-M42 VanDerWaalsContact O-CB 3.32Å; Y38-M42 WeakPolarHBondContact O-CB 3.28Å; Y38-M42 PolarHBondContact O-N 3.25Å; F39-M42 PolarHBondContact O-N 3.29Å; Y40-M42 VanDerWaalsContact C-N 3.31Å; Y40-M42 PolarHBondContact O-N 3.42Å; M42-K44 PolarHBondContact O-N 2.85Å; M42-L45 WeakPolarHBondContact O-CB 3.41Å; M42-L45 PolarHBondContact O-N 2.81Å; M42-L45 VanDerWaalsContact O-N 3.14Å; M42-Y46 HydrophobicContact CE-CD2 4.3Å; M42-Y46 HydrophobicContact CE-CE2 3.71Å; M42-Y46 HydrophobicContact CG-CD2 3.82Å; M42-Y46 HydrophobicContact CG-CE2 3.59Å; M42-Y46 WeakPolarHBondContact O-CD2 3.19Å; M42-Y46 PolarHBondContact O-N 2.66Å
43	L	95.6	Very high	94.2	Very high	36 Å²	36	93.1 Å²	93.1	19%	0.188	47%	0.47	C	S	.	.	H	α-helix	trans	-58.1	-48.1	178.2	-179.5	63.8	0	0	0	110.9	F39 Y40 L45 Y46 H47 L50 I52	F39-L43 WeakPolarHBondContact O-CB 3.23Å; F39-L43 PolarHBondContact O-N 3Å; Y40-L43 PolarHBondContact O-N 2.85Å; L43-L45 VanDerWaalsContact C-N 3.25Å; L43-L45 PolarHBondContact O-N 2.68Å; L43-Y46 PolarHBondContact O-N 2.76Å; L43-H47 HydrophobicContact CD1-CB 4.32Å; L43-H47 CarbonylContact O-C 3.52Å; L43-H47 WeakPolarHBondContact O-CA 3.36Å; L43-H47 PolarHBondContact O-N 3.05Å; L43-L50 HydrophobicContact CD1-CB 4.3Å; L43-I52 HydrophobicContact CD2-CB 3.96Å; L43-I52 HydrophobicContact CD2-CG2 3.9Å
44	K	95.2	Very high	94.7	Very high	112 Å²	112	89.7 Å²	89.7	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-27.3	178.9	-70.1	-56.5	-171.8	-165.3	0	113.9	Y40 M42 S48 L50	Y40-K44 WeakPolarHBondContact O-CG 3.22Å; Y40-K44 PolarHBondContact O-N 3.48Å; M42-K44 PolarHBondContact O-N 2.85Å; K44-S48 WeakPolarHBondContact CD-O 3.1Å; K44-S48 PolarHBondContact NZ-O 2.67Å; K44-L50 PolarHBondContact NZ-O 2.85Å
45	L	95.3	Very high	94.9	Very high	133 Å²	133	95.1 Å²	95.1	70%	0.696	48%	0.483	S	S	*	.	H	α-helix	trans	-70.5	-32.3	175.7	-176.9	62.7	0	0	0	112.5	K41 M42 L43	K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.35Å; K41-L45 VanDerWaalsContact O-N 3.12Å; M42-L45 WeakPolarHBondContact O-CB 3.41Å; M42-L45 PolarHBondContact O-N 2.81Å; M42-L45 VanDerWaalsContact O-N 3.14Å; L43-L45 VanDerWaalsContact C-N 3.25Å; L43-L45 PolarHBondContact O-N 2.68Å
46	Y	94.7	Very high	95.1	Very high	132 Å²	132	93.9 Å²	93.9	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-102.5	-30.7	-176.7	-64.3	-67.4	0	0	0	113.8	M42 L43	M42-Y46 HydrophobicContact CE-CD2 4.3Å; M42-Y46 HydrophobicContact CE-CE2 3.71Å; M42-Y46 HydrophobicContact CG-CD2 3.82Å; M42-Y46 HydrophobicContact CG-CE2 3.59Å; M42-Y46 WeakPolarHBondContact O-CD2 3.19Å; M42-Y46 PolarHBondContact O-N 2.66Å; L43-Y46 PolarHBondContact O-N 2.76Å
47	H	94.8	Very high	95.1	Very high	90 Å²	90	92.5 Å²	92.5	42%	0.417	47%	0.474	S	S	.	.			trans	-149.4	86.1	-177	-62.1	-70.4	0	0	0	110.5	L43 E49 L50	L43-H47 HydrophobicContact CD1-CB 4.32Å; L43-H47 CarbonylContact O-C 3.52Å; L43-H47 WeakPolarHBondContact O-CA 3.36Å; L43-H47 PolarHBondContact O-N 3.05Å; H47-E49 VanDerWaalsContact C-N 3.26Å; H47-E49 IonicContact ND1-OE1 3.81Å; H47-E49 PolarHBondContact O-N 2.97Å; H47-L50 HydrophobicContact CB-CB 3.88Å; H47-L50 HydrophobicContact CB-CD1 3.57Å; H47-L50 HydrophobicContact CB-CG 3.74Å; H47-L50 PolarHBondContact O-N 2.84Å
48	S	94.3	Very high	95.2	Very high	79 Å²	79	94.9 Å²	94.9	55%	0.552	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.4	-172.9	67.7	0	0	0	0	114	K44	K44-S48 WeakPolarHBondContact CD-O 3.1Å; K44-S48 PolarHBondContact NZ-O 2.67Å
49	E	95.9	Very high	95.3	Very high	136 Å²	136	92 Å²	92	64%	0.636	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.4	179.9	63.7	-71.7	163.3	0	0	112.8	H47	H47-E49 VanDerWaalsContact C-N 3.26Å; H47-E49 IonicContact ND1-OE1 3.81Å; H47-E49 PolarHBondContact O-N 2.97Å
50	L	95.3	Very high	95.4	Very high	85 Å²	85	94.3 Å²	94.3	45%	0.445	48%	0.482	S	S	.	.			trans	-84.1	155	-177	-62.5	-175.8	0	0	0	112.8	L43 K44 H47	L43-L50 HydrophobicContact CD1-CB 4.3Å; K44-L50 PolarHBondContact NZ-O 2.85Å; H47-L50 HydrophobicContact CB-CB 3.88Å; H47-L50 HydrophobicContact CB-CD1 3.57Å; H47-L50 HydrophobicContact CB-CG 3.74Å; H47-L50 PolarHBondContact O-N 2.84Å
51	G	94.1	Very high	95.4	Very high	70 Å²	70	89.8 Å²	89.8	72%	0.722	47%	0.465	S	S	*	.			trans	-120.4	166.4	171.2	0	0	0	0	0	111.4
52	I	94.9	Very high	95.5	Very high	49 Å²	49	85.1 Å²	85.1	25%	0.251	45%	0.45	S	S	.	.			trans	-129.3	133.9	177.1	-175.8	169.8	0	0	0	109.7	Y40 L43 M57 M60	Y40-I52 HydrophobicContact CD1-CG2 4.04Å; Y40-I52 HydrophobicContact CE1-CG2 3.47Å; Y40-I52 VanDerWaalsContact CE1-CG2 3.47Å; L43-I52 HydrophobicContact CD2-CB 3.96Å; L43-I52 HydrophobicContact CD2-CG2 3.9Å; I52-M57 HydrophobicContact CD1-CE 4.34Å; I52-M57 HydrophobicContact CG2-CE 3.48Å; I52-M57 VanDerWaalsContact CG2-CE 3.48Å; I52-M60 HydrophobicContact CD1-CG 4.19Å
53	S	96.6	Very high	95.7	Very high	60 Å²	60	85.6 Å²	85.6	42%	0.42	45%	0.45	S	S	.	.			trans	-68.2	156.3	179.2	82.9	0	0	0	0	111.8	K55 S56 M57	S53-K55 VanDerWaalsContact C-N 3.26Å; S53-K55 PolarHBondContact O-N 3.24Å; S53-S56 PolarHBondContact O-N 3Å; S53-S56 WeakPolarHBondContact OG-CB 3.44Å; S53-S56 PolarHBondContact OG-N 3.28Å; S53-S56 PolarHBondContact OG-OG 3Å; S53-M57 WeakPolarHBondContact O-CB 3.29Å; S53-M57 PolarHBondContact O-N 3.47Å
54	S	94.1	Very high	95.7	Very high	102 Å²	102	85.9 Å²	85.9	71%	0.713	45%	0.453	S	S	*	.	H	α-helix	trans	-61.1	-34.7	176.4	-49.7	0	0	0	0	112.7	W58	S54-W58 PolarHBondContact O-N 3.04Å; S54-W58 VanDerWaalsContact O-N 3.09Å
55	K	96.3	Very high	95.8	Very high	162 Å²	162	83.4 Å²	83.4	70%	0.704	45%	0.445	S	S	*	.	H	α-helix	trans	-68.7	-46.9	176.9	-173.4	175.7	-179.5	179.2	0	111.2	S53 M57 W58 I59	S53-K55 VanDerWaalsContact C-N 3.26Å; S53-K55 PolarHBondContact O-N 3.24Å; K55-M57 VanDerWaalsContact C-N 3.29Å; K55-M57 PolarHBondContact O-N 3.3Å; K55-W58 WeakPolarHBondContact O-CB 3.45Å; K55-W58 PolarHBondContact O-N 3.43Å; K55-I59 WeakPolarHBondContact O-CG1 3.49Å; K55-I59 PolarHBondContact O-N 2.95Å; K55-I59 VanDerWaalsContact O-N 3.1Å
56	S	96.7	Very high	95.9	Very high	51 Å²	51	80.3 Å²	80.3	36%	0.357	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-41.3	175.6	-56.4	0	0	0	0	111.2	S53 W58 I59 M60	S53-S56 PolarHBondContact O-N 3Å; S53-S56 WeakPolarHBondContact OG-CB 3.44Å; S53-S56 PolarHBondContact OG-N 3.28Å; S53-S56 PolarHBondContact OG-OG 3Å; S56-W58 VanDerWaalsContact C-N 3.32Å; S56-W58 PolarHBondContact O-N 3.42Å; S56-I59 PolarHBondContact O-N 3.4Å; S56-M60 WeakPolarHBondContact O-CG 3.37Å; S56-M60 PolarHBondContact O-N 2.88Å
57	M	95.4	Very high	96	Very high	8 Å²	8	75.6 Å²	75.6	4%	0.039	41%	0.413	C	S	.	.	H	α-helix	trans	-60.8	-40.2	176.1	-174.6	58.9	81.3	0	0	112.5	C36 F39 Y40 I52 S53 K55 M60 N61	C36-M57 HydrophobicContact CB-CE 4.45Å; C36-M57 HydrophobicContact CB-CG 4.06Å; C36-M57 HydrophobicContact CB-SD 3.92Å; C36-M57 WeakPolarHBondContact SG-CG 3.49Å; F39-M57 HydrophobicContact CB-CE 3.91Å; F39-M57 HydrophobicContact CB-SD 3.77Å; F39-M57 HydrophobicContact CD2-SD 3.54Å; F39-M57 VanDerWaalsContact CD2-SD 3.54Å; F39-M57 HydrophobicContact CG-SD 4.09Å; Y40-M57 HydrophobicContact CD1-CE 4.09Å; Y40-M57 HydrophobicContact CD2-CE 3.65Å; Y40-M57 HydrophobicContact CE1-CE 3.88Å; Y40-M57 HydrophobicContact CE2-CE 3.42Å; Y40-M57 VanDerWaalsContact CE2-CE 3.42Å; Y40-M57 HydrophobicContact CG-CE 3.97Å; I52-M57 HydrophobicContact CD1-CE 4.34Å; I52-M57 HydrophobicContact CG2-CE 3.48Å; I52-M57 VanDerWaalsContact CG2-CE 3.48Å; S53-M57 WeakPolarHBondContact O-CB 3.29Å; S53-M57 PolarHBondContact O-N 3.47Å; K55-M57 VanDerWaalsContact C-N 3.29Å; K55-M57 PolarHBondContact O-N 3.3Å; M57-M60 PolarHBondContact O-N 3.41Å; M57-N61 PolarHBondContact O-N 3.42Å
58	W	95	Very high	96.1	Very high	155 Å²	155	77.4 Å²	77.4	59%	0.587	42%	0.419	S	S	*	.	H	α-helix	trans	-65.6	-38.6	176.1	-178.5	77.4	0	0	0	112.6	S54 K55 S56 N61 S62	S54-W58 PolarHBondContact O-N 3.04Å; S54-W58 VanDerWaalsContact O-N 3.09Å; K55-W58 WeakPolarHBondContact O-CB 3.45Å; K55-W58 PolarHBondContact O-N 3.43Å; S56-W58 VanDerWaalsContact C-N 3.32Å; S56-W58 PolarHBondContact O-N 3.42Å; W58-N61 PolarHBondContact O-N 3.08Å; W58-S62 PolarHBondContact O-N 3.08Å; W58-S62 PolarHBondContact O-OG 2.99Å
59	I	97.4	Very high	96.3	Very high	92 Å²	92	78 Å²	78	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-62.9	-47.8	174.1	-65	168	0	0	0	110.1	K55 S56 N61 S62 F63	K55-I59 WeakPolarHBondContact O-CG1 3.49Å; K55-I59 PolarHBondContact O-N 2.95Å; K55-I59 VanDerWaalsContact O-N 3.1Å; S56-I59 PolarHBondContact O-N 3.4Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.84Å; I59-S62 PolarHBondContact O-N 3.32Å; I59-S62 VanDerWaalsContact O-N 3.14Å; I59-F63 WeakPolarHBondContact O-CB 3.32Å; I59-F63 PolarHBondContact O-N 3.18Å
60	M	97.2	Very high	96.4	Very high	73 Å²	73	77.6 Å²	77.6	36%	0.36	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-43.4	177.8	-68.3	-60.3	-67.5	0	0	112.2	F39 I52 S56 M57 F63 V64	F39-M60 HydrophobicContact CD1-CB 4.39Å; F39-M60 HydrophobicContact CD1-CE 4.11Å; F39-M60 HydrophobicContact CD2-CB 3.93Å; F39-M60 HydrophobicContact CE1-CB 4.19Å; F39-M60 HydrophobicContact CE1-CE 4.02Å; F39-M60 HydrophobicContact CE2-CB 3.71Å; F39-M60 HydrophobicContact CG-CB 4.27Å; F39-M60 HydrophobicContact CZ-CB 3.85Å; F39-M60 VanDerWaalsContact CZ-O 3.28Å; F39-M60 WeakPolarHBondContact CZ-O 3.32Å; I52-M60 HydrophobicContact CD1-CG 4.19Å; S56-M60 WeakPolarHBondContact O-CG 3.37Å; S56-M60 PolarHBondContact O-N 2.88Å; M57-M60 PolarHBondContact O-N 3.41Å; M60-F63 PolarHBondContact O-N 3.11Å; M60-V64 PolarHBondContact O-N 3.45Å
61	N	95.6	Very high	96.6	Very high	13 Å²	13	75.4 Å²	75.4	7%	0.07	40%	0.397	C	S	.	.	H	α-helix	trans	-63.1	-43.4	176.2	-175.7	77.7	0	0	0	111.9	S34 F35 F39 M57 W58 I59 V64 N65	S34-N61 WeakPolarHBondContact CA-OD1 3.24Å; S34-N61 PolarHBondContact OG-OD1 2.93Å; F35-N61 PolarHBondContact N-OD1 2.95Å; F39-N61 HydrophobicContact CE2-CB 4.23Å; M57-N61 PolarHBondContact O-N 3.42Å; W58-N61 PolarHBondContact O-N 3.08Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.84Å; N61-V64 PolarHBondContact O-N 2.96Å; N61-N65 PolarHBondContact ND2-ND2 2.92Å; N61-N65 PolarHBondContact O-N 3.43Å; N61-N65 PolarHBondContact O-ND2 3.21Å
62	S	96.9	Very high	96.8	Very high	45 Å²	45	73.8 Å²	73.8	32%	0.315	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-41.3	178.5	-53.9	0	0	0	0	111.3	W58 I59 V64 N65 D66	W58-S62 PolarHBondContact O-N 3.08Å; W58-S62 PolarHBondContact O-OG 2.99Å; I59-S62 PolarHBondContact O-N 3.32Å; I59-S62 VanDerWaalsContact O-N 3.14Å; S62-V64 PolarHBondContact O-N 3.49Å; S62-N65 PolarHBondContact O-N 3.24Å; S62-D66 PolarHBondContact O-N 3.07Å
63	F	97.6	Very high	96.9	Very high	115 Å²	115	74.8 Å²	74.8	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176	176.4	-106.4	0	0	0	112.5	I59 M60 N65 D66 M67	I59-F63 WeakPolarHBondContact O-CB 3.32Å; I59-F63 PolarHBondContact O-N 3.18Å; M60-F63 PolarHBondContact O-N 3.11Å; F63-N65 VanDerWaalsContact C-N 3.33Å; F63-N65 PolarHBondContact O-N 3.02Å; F63-D66 PolarHBondContact O-N 3.07Å; F63-M67 HydrophobicContact CD1-CG 4.49Å; F63-M67 HydrophobicContact CD2-CG 4.33Å; F63-M67 HydrophobicContact CE1-CG 4.04Å; F63-M67 HydrophobicContact CE2-CG 3.86Å; F63-M67 HydrophobicContact CE2-SD 4.19Å; F63-M67 HydrophobicContact CZ-CG 3.7Å; F63-M67 HydrophobicContact CZ-SD 4.28Å; F63-M67 WeakPolarHBondContact O-CB 3.32Å; F63-M67 WeakPolarHBondContact O-CG 3.4Å; F63-M67 PolarHBondContact O-N 3.45Å
64	V	97.2	Very high	97	Very high	42 Å²	42	74.2 Å²	74.2	26%	0.255	38%	0.379	S	S	.	.	H	α-helix	trans	-66.5	-35	178	166.3	0	0	0	0	112.4	F35 F39 M60 N61 S62 M67 F68	F35-V64 HydrophobicContact CD1-CG1 4.3Å; F35-V64 HydrophobicContact CD2-CB 4.35Å; F35-V64 HydrophobicContact CD2-CG1 3.72Å; F35-V64 HydrophobicContact CE1-CG1 4.38Å; F35-V64 HydrophobicContact CE2-CG1 3.81Å; F35-V64 HydrophobicContact CG-CG1 3.98Å; F35-V64 HydrophobicContact CZ-CG1 4.14Å; F39-V64 HydrophobicContact CE1-CG2 3.7Å; F39-V64 HydrophobicContact CZ-CB 4.03Å; F39-V64 HydrophobicContact CZ-CG2 3.42Å; F39-V64 VanDerWaalsContact CZ-CG2 3.42Å; M60-V64 PolarHBondContact O-N 3.45Å; N61-V64 PolarHBondContact O-N 2.96Å; S62-V64 PolarHBondContact O-N 3.49Å; V64-M67 PolarHBondContact O-N 3.39Å; V64-F68 VanDerWaalsContact O-CB 3.29Å; V64-F68 WeakPolarHBondContact O-CB 3.26Å; V64-F68 PolarHBondContact O-N 3.38Å
65	N	96.4	Very high	97.2	Very high	60 Å²	60	69.4 Å²	69.4	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-45.7	175.1	-71.6	-64	0	0	0	111.6	N61 S62 F63 M67 F68 D69	N61-N65 PolarHBondContact ND2-ND2 2.92Å; N61-N65 PolarHBondContact O-N 3.43Å; N61-N65 PolarHBondContact O-ND2 3.21Å; S62-N65 PolarHBondContact O-N 3.24Å; F63-N65 VanDerWaalsContact C-N 3.33Å; F63-N65 PolarHBondContact O-N 3.02Å; N65-M67 VanDerWaalsContact C-N 3.28Å; N65-M67 PolarHBondContact O-N 2.92Å; N65-F68 PolarHBondContact O-N 3.16Å; N65-D69 PolarHBondContact O-N 3.09Å
66	D	97.3	Very high	97.3	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-57	-44.1	173.8	179.7	42	0	0	0	110.9	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.07Å; F63-D66 PolarHBondContact O-N 3.07Å; D66-F68 PolarHBondContact O-N 2.97Å; D66-D69 PolarHBondContact O-N 3.46Å; D66-R70 VanDerWaalsContact CG-NE 3.31Å; D66-R70 VanDerWaalsContact O-CG 3.26Å; D66-R70 WeakPolarHBondContact O-CG 3.41Å; D66-R70 PolarHBondContact O-N 2.95Å; D66-R70 IonicContact OD1-CZ 3.46Å; D66-R70 IonicContact OD1-NE 3.88Å; D66-R70 PolarHBondContact OD1-NE 3.42Å; D66-R70 IonicContact OD1-NH2 2.95Å; D66-R70 PolarHBondContact OD1-NH2 3.19Å; D66-R70 IonicContact OD2-CZ 2.92Å; D66-R70 IonicContact OD2-NE 3.68Å; D66-R70 PolarHBondContact OD2-NE 3.41Å; D66-R70 VanDerWaalsContact OD2-NE 3.09Å; D66-R70 IonicContact OD2-NH2 3.09Å; D66-R70 PolarHBondContact OD2-NH2 3.44Å
67	M	97.1	Very high	97.3	Very high	33 Å²	33	68.4 Å²	68.4	16%	0.163	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-38.8	178.3	-72.9	-49.3	-35.7	0	0	113.6	F63 V64 N65 R70 I71 L100	F63-M67 HydrophobicContact CD1-CG 4.49Å; F63-M67 HydrophobicContact CD2-CG 4.33Å; F63-M67 HydrophobicContact CE1-CG 4.04Å; F63-M67 HydrophobicContact CE2-CG 3.86Å; F63-M67 HydrophobicContact CE2-SD 4.19Å; F63-M67 HydrophobicContact CZ-CG 3.7Å; F63-M67 HydrophobicContact CZ-SD 4.28Å; F63-M67 WeakPolarHBondContact O-CB 3.32Å; F63-M67 WeakPolarHBondContact O-CG 3.4Å; F63-M67 PolarHBondContact O-N 3.45Å; V64-M67 PolarHBondContact O-N 3.39Å; N65-M67 VanDerWaalsContact C-N 3.28Å; N65-M67 PolarHBondContact O-N 2.92Å; M67-R70 HydrophobicContact CE-CB 4.33Å; M67-R70 PolarHBondContact O-N 3.46Å; M67-I71 VanDerWaalsContact O-CG1 3.28Å; M67-I71 WeakPolarHBondContact O-CG1 3Å; M67-I71 PolarHBondContact O-N 3.36Å; M67-L100 HydrophobicContact CE-CD2 4.38Å
68	F	97.4	Very high	97.4	Very high	127 Å²	127	70.2 Å²	70.2	56%	0.557	35%	0.346	S	S	*	.	H	α-helix	trans	-60.7	-48.9	175.7	173	-94.6	0	0	0	110.9	V64 N65 D66 R70 I71 A72	V64-F68 VanDerWaalsContact O-CB 3.29Å; V64-F68 WeakPolarHBondContact O-CB 3.26Å; V64-F68 PolarHBondContact O-N 3.38Å; N65-F68 PolarHBondContact O-N 3.16Å; D66-F68 PolarHBondContact O-N 2.97Å; F68-R70 VanDerWaalsContact C-N 3.32Å; F68-R70 PolarHBondContact O-N 3.24Å; F68-I71 PolarHBondContact O-N 2.91Å; F68-A72 VanDerWaalsContact O-CB 3.28Å; F68-A72 WeakPolarHBondContact O-CB 3.49Å; F68-A72 PolarHBondContact O-N 3.45Å
69	D	97.8	Very high	97.5	Very high	93 Å²	93	63 Å²	63	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-40.2	-179.4	-73.5	-21.6	0	0	0	111.6	N65 D66 S73	N65-D69 PolarHBondContact O-N 3.09Å; D66-D69 PolarHBondContact O-N 3.46Å; D69-S73 VanDerWaalsContact O-CB 3.23Å; D69-S73 WeakPolarHBondContact O-CB 3.36Å; D69-S73 PolarHBondContact O-N 3.5Å; D69-S73 PolarHBondContact O-OG 3.2Å
70	R	98.6	Very high	97.4	Very high	126 Å²	126	64.4 Å²	64.4	48%	0.475	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-49.4	174.9	-71.9	172.5	-171.8	-134.5	11.3	112.1	D66 M67 F68 S73 E74 L99	D66-R70 VanDerWaalsContact CG-NE 3.31Å; D66-R70 VanDerWaalsContact O-CG 3.26Å; D66-R70 WeakPolarHBondContact O-CG 3.41Å; D66-R70 PolarHBondContact O-N 2.95Å; D66-R70 IonicContact OD1-CZ 3.46Å; D66-R70 IonicContact OD1-NE 3.88Å; D66-R70 PolarHBondContact OD1-NE 3.42Å; D66-R70 IonicContact OD1-NH2 2.95Å; D66-R70 PolarHBondContact OD1-NH2 3.19Å; D66-R70 IonicContact OD2-CZ 2.92Å; D66-R70 IonicContact OD2-NE 3.68Å; D66-R70 PolarHBondContact OD2-NE 3.41Å; D66-R70 VanDerWaalsContact OD2-NE 3.09Å; D66-R70 IonicContact OD2-NH2 3.09Å; D66-R70 PolarHBondContact OD2-NH2 3.44Å; M67-R70 HydrophobicContact CE-CB 4.33Å; M67-R70 PolarHBondContact O-N 3.46Å; F68-R70 VanDerWaalsContact C-N 3.32Å; F68-R70 PolarHBondContact O-N 3.24Å; R70-S73 PolarHBondContact O-N 3.39Å; R70-E74 WeakPolarHBondContact O-CB 3.28Å; R70-E74 PolarHBondContact O-N 2.95Å; R70-L99 HydrophobicContact CB-CD1 4.07Å; R70-L99 HydrophobicContact CB-CD2 4.42Å
71	I	98.4	Very high	97.3	Very high	39 Å²	39	68.3 Å²	68.3	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-44.2	179.8	-67.1	165.7	0	0	0	110.5	M67 F68 E74 A75 V92 A95 V96 L99	M67-I71 VanDerWaalsContact O-CG1 3.28Å; M67-I71 WeakPolarHBondContact O-CG1 3Å; M67-I71 PolarHBondContact O-N 3.36Å; F68-I71 PolarHBondContact O-N 2.91Å; I71-E74 PolarHBondContact O-N 3.38Å; I71-A75 WeakPolarHBondContact O-CB 3.47Å; I71-A75 PolarHBondContact O-N 3.43Å; I71-V92 HydrophobicContact CG2-CG1 4.16Å; I71-A95 HydrophobicContact CG2-CB 4.33Å; I71-V96 HydrophobicContact CD1-CG2 4.2Å; I71-V96 HydrophobicContact CG1-CG2 4.46Å; I71-V96 HydrophobicContact CG2-CG2 4.29Å; I71-L99 HydrophobicContact CB-CD1 4.18Å; I71-L99 HydrophobicContact CG1-CD1 3.63Å
72	A	98.2	Very high	97.2	Very high	36 Å²	36	70.2 Å²	70.2	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-43	179.1	0	0	0	0	0	111.7	F68 A75 S76	F68-A72 VanDerWaalsContact O-CB 3.28Å; F68-A72 WeakPolarHBondContact O-CB 3.49Å; F68-A72 PolarHBondContact O-N 3.45Å; A72-A75 PolarHBondContact O-N 3.14Å; A72-S76 WeakPolarHBondContact O-CB 3.36Å; A72-S76 PolarHBondContact O-N 2.97Å
73	S	98.3	Very high	97.1	Very high	71 Å²	71	77.4 Å²	77.4	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-45.8	177.4	-61.3	0	0	0	0	111.5	D69 R70 S76 R77	D69-S73 VanDerWaalsContact O-CB 3.23Å; D69-S73 WeakPolarHBondContact O-CB 3.36Å; D69-S73 PolarHBondContact O-N 3.5Å; D69-S73 PolarHBondContact O-OG 3.2Å; R70-S73 PolarHBondContact O-N 3.39Å; S73-S76 PolarHBondContact O-N 3.38Å; S73-R77 WeakPolarHBondContact O-CG 3.4Å; S73-R77 PolarHBondContact O-N 3.45Å
74	E	98.3	Very high	96.8	Very high	47 Å²	47	78.2 Å²	78.2	22%	0.22	38%	0.381	C	S	.	.	H	α-helix	trans	-69.9	-40.4	179.8	-166.8	58.9	-153.2	0	0	111.8	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.28Å; R70-E74 PolarHBondContact O-N 2.95Å; I71-E74 PolarHBondContact O-N 3.38Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 3.29Å; E74-R77 WeakPolarHBondContact O-CB 3.32Å; E74-R77 PolarHBondContact O-N 3.2Å; E74-L78 WeakPolarHBondContact O-CG 3.48Å; E74-L78 PolarHBondContact O-N 2.99Å; E74-A95 HydrophobicContact CB-CB 3.88Å; E74-A95 HydrophobicContact CG-CB 3.99Å; E74-L98 HydrophobicContact CG-CB 4.47Å; E74-L98 HydrophobicContact CG-CD1 4.03Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.34Å; E74-L99 HydrophobicContact CB-CD1 4.1Å
75	A	98.3	Very high	96.6	Very high	1 Å²	1	84.2 Å²	84.2	1%	0.008	41%	0.408	C	S	.	.	H	α-helix	trans	-65.3	-37.3	175.2	0	0	0	0	0	112.1	I71 A72 L78 A79 I87 E91 V92 A95	I71-A75 WeakPolarHBondContact O-CB 3.47Å; I71-A75 PolarHBondContact O-N 3.43Å; A72-A75 PolarHBondContact O-N 3.14Å; A75-L78 PolarHBondContact O-N 2.86Å; A75-A79 WeakPolarHBondContact O-CB 3.42Å; A75-A79 PolarHBondContact O-N 3.48Å; A75-I87 HydrophobicContact CB-CG2 3.79Å; A75-E91 HydrophobicContact CB-CB 4.34Å; A75-V92 HydrophobicContact CB-CG2 4.23Å; A75-A95 HydrophobicContact CB-CB 3.93Å
76	S	97.4	Very high	96.5	Very high	44 Å²	44	86.6 Å²	86.6	31%	0.308	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-45.7	173.9	-176.4	0	0	0	0	111.2	A72 S73 E74 L78 A79 Q80	A72-S76 WeakPolarHBondContact O-CB 3.36Å; A72-S76 PolarHBondContact O-N 2.97Å; S73-S76 PolarHBondContact O-N 3.38Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 3.29Å; S76-L78 PolarHBondContact O-N 2.76Å; S76-A79 PolarHBondContact O-N 2.97Å; S76-Q80 WeakPolarHBondContact O-CG 3.37Å; S76-Q80 PolarHBondContact O-N 3.17Å
77	R	97.1	Very high	96.5	Very high	149 Å²	149	87 Å²	87	56%	0.562	43%	0.426	S	S	*	.	H	α-helix	trans	-56.9	-49.1	173.1	-75.8	173.9	159.4	-169.5	-6.4	111	S73 E74 A79 Q80 H81	S73-R77 WeakPolarHBondContact O-CG 3.4Å; S73-R77 PolarHBondContact O-N 3.45Å; E74-R77 WeakPolarHBondContact O-CB 3.32Å; E74-R77 PolarHBondContact O-N 3.2Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-A79 PolarHBondContact O-N 3.14Å; R77-Q80 WeakPolarHBondContact O-CB 3.47Å; R77-Q80 PolarHBondContact O-N 3.46Å; R77-H81 PolarHBondContact O-N 2.99Å; R77-H81 PolarHBondContact O-ND1 3.38Å
78	L	97.6	Very high	96.4	Very high	46 Å²	46	86.7 Å²	86.7	24%	0.241	43%	0.432	C	S	.	.	H	α-helix	trans	-61.7	-38.6	179	-68.9	170.2	0	0	0	113	E74 A75 S76 H81 S82 E91 A94 A95 L98	E74-L78 WeakPolarHBondContact O-CG 3.48Å; E74-L78 PolarHBondContact O-N 2.99Å; A75-L78 PolarHBondContact O-N 2.86Å; S76-L78 PolarHBondContact O-N 2.76Å; L78-H81 PolarHBondContact O-N 3.31Å; L78-S82 PolarHBondContact O-N 3.14Å; L78-S82 VanDerWaalsContact O-N 3.16Å; L78-S82 PolarHBondContact O-OG 3.49Å; L78-E91 HydrophobicContact CB-CB 4.3Å; L78-E91 HydrophobicContact CB-CG 4.25Å; L78-A94 HydrophobicContact CD1-CB 3.65Å; L78-A95 HydrophobicContact CD1-CB 4.19Å; L78-L98 HydrophobicContact CD1-CD1 4.18Å; L78-L98 HydrophobicContact CD2-CD1 4.36Å
79	A	96.8	Very high	96.2	Very high	3 Å²	3	82.8 Å²	82.8	3%	0.025	42%	0.423	C	S	.	.	H	α-helix	trans	-61.7	-45.1	173.6	0	0	0	0	0	111.3	A75 S76 R77 H81 S82 K83 R84 I87 E91	A75-A79 WeakPolarHBondContact O-CB 3.42Å; A75-A79 PolarHBondContact O-N 3.48Å; S76-A79 PolarHBondContact O-N 2.97Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-A79 PolarHBondContact O-N 3.14Å; A79-H81 PolarHBondContact O-N 2.91Å; A79-S82 CarbonylContact O-C 3.42Å; A79-S82 PolarHBondContact O-N 3.12Å; A79-S82 VanDerWaalsContact O-N 3.15Å; A79-S82 PolarHBondContact O-OG 3.5Å; A79-K83 PolarHBondContact O-N 3.05Å; A79-R84 CarbonylContact C-O 3.35Å; A79-R84 PolarHBondContact O-N 3.37Å; A79-I87 HydrophobicContact CB-CG1 4.1Å; A79-E91 HydrophobicContact CB-CG 4.11Å
80	Q	96.1	Very high	96.1	Very high	122 Å²	122	87.3 Å²	87.3	57%	0.57	43%	0.433	S	S	*	.	H	α-helix	trans	-63	-41.7	177	-71.2	176.9	-7.2	0	0	112.5	S76 R77 S82 K83	S76-Q80 WeakPolarHBondContact O-CG 3.37Å; S76-Q80 PolarHBondContact O-N 3.17Å; R77-Q80 WeakPolarHBondContact O-CB 3.47Å; R77-Q80 PolarHBondContact O-N 3.46Å; Q80-S82 PolarHBondContact O-N 2.82Å; Q80-K83 WeakPolarHBondContact O-CA 3.3Å; Q80-K83 PolarHBondContact O-N 3.24Å
81	H	95.2	Very high	96	Very high	154 Å²	154	82 Å²	82	71%	0.713	41%	0.414	S	S	*	.	H	α-helix	trans	-60.6	-33	175.2	-73.4	93.2	0	0	0	112.4	R77 L78 A79 K83	R77-H81 PolarHBondContact O-N 2.99Å; R77-H81 PolarHBondContact O-ND1 3.38Å; L78-H81 PolarHBondContact O-N 3.31Å; A79-H81 PolarHBondContact O-N 2.91Å; H81-K83 VanDerWaalsContact C-N 3.27Å; H81-K83 PolarHBondContact O-N 3.41Å
82	S	93.3	Very high	96	Very high	53 Å²	53	83 Å²	83	37%	0.371	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	8.6	175	65.4	0	0	0	0	114.2	L78 A79 Q80 R84	L78-S82 PolarHBondContact O-N 3.14Å; L78-S82 VanDerWaalsContact O-N 3.16Å; L78-S82 PolarHBondContact O-OG 3.49Å; A79-S82 CarbonylContact O-C 3.42Å; A79-S82 PolarHBondContact O-N 3.12Å; A79-S82 VanDerWaalsContact O-N 3.15Å; A79-S82 PolarHBondContact O-OG 3.5Å; Q80-S82 PolarHBondContact O-N 2.82Å; S82-R84 PolarHBondContact O-N 3.03Å
83	K	94	Very high	95.9	Very high	196 Å²	196	83.3 Å²	83.3	85%	0.852	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	30.6	-176.8	-54.6	178.9	-177.5	179.1	0	113.2	A79 Q80 H81	A79-K83 PolarHBondContact O-N 3.05Å; Q80-K83 WeakPolarHBondContact O-CA 3.3Å; Q80-K83 PolarHBondContact O-N 3.24Å; H81-K83 VanDerWaalsContact C-N 3.27Å; H81-K83 PolarHBondContact O-N 3.41Å
84	R	92.4	Very high	95.9	Very high	132 Å²	132	81.4 Å²	81.4	50%	0.498	41%	0.405	S	S	.	.			trans	-105.5	140.4	177.8	-65.8	179.6	178.4	-170.1	-6	110.3	A79 S82 E91	A79-R84 CarbonylContact C-O 3.35Å; A79-R84 PolarHBondContact O-N 3.37Å; S82-R84 PolarHBondContact O-N 3.03Å; R84-E91 IonicContact NH1-OE1 3.34Å
85	M	92.2	Very high	95.9	Very high	169 Å²	169	79.1 Å²	79.1	83%	0.833	40%	0.395	S	S	*	.	S	Bend	trans	-88.5	-16.3	174	-62.2	-66.5	93.4	0	0	112.8
86	T	95.9	Very high	95.9	Very high	109 Å²	109	79.9 Å²	79.9	67%	0.669	40%	0.399	S	S	*	.	S	Bend	trans	-104.1	126.1	-178.5	-54.2	0	0	0	0	110.2	G88	T86-G88 PolarHBondContact O-N 2.87Å
87	I	96.2	Very high	95.9	Very high	76 Å²	76	84.3 Å²	84.3	39%	0.39	41%	0.409	S	S	.	.			trans	-77.3	113.4	170.1	-58.6	174.8	0	0	0	108	A75 A79 E91 V92	A75-I87 HydrophobicContact CB-CG2 3.79Å; A79-I87 HydrophobicContact CB-CG1 4.1Å; I87-E91 HydrophobicContact CG2-CB 4.16Å; I87-V92 HydrophobicContact CG2-CG2 3.83Å
88	G	94.7	Very high	95.9	Very high	28 Å²	28	82.5 Å²	82.5	29%	0.289	41%	0.41	S	S	.	.			trans	-95.7	176.4	175.6	0	0	0	0	0	112.7	T86 R90 E91 V92	T86-G88 PolarHBondContact O-N 2.87Å; G88-R90 PolarHBondContact O-N 3.43Å; G88-E91 WeakPolarHBondContact CA-OE2 3.41Å; G88-E91 PolarHBondContact N-OE2 3.02Å; G88-E91 PolarHBondContact O-N 3.42Å; G88-V92 PolarHBondContact O-N 2.85Å
89	A	94.5	Very high	96	Very high	45 Å²	45	83.2 Å²	83.2	37%	0.372	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-31.3	175.7	0	0	0	0	0	112.4	V92 Q93 V116	A89-V92 PolarHBondContact O-N 3.41Å; A89-Q93 WeakPolarHBondContact O-CB 3.28Å; A89-Q93 VanDerWaalsContact O-CG 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.49Å; A89-Q93 PolarHBondContact O-N 3.14Å; A89-V116 HydrophobicContact CB-CG1 4.45Å; A89-V116 HydrophobicContact CB-CG2 4.22Å
90	R	94.2	Very high	96	Very high	187 Å²	187	85 Å²	85	71%	0.706	42%	0.422	S	S	*	.	H	α-helix	trans	-64.6	-45.1	178.6	-176.3	180	177.2	176.1	-1.7	111.5	G88 Q93 A94	G88-R90 PolarHBondContact O-N 3.43Å; R90-Q93 PolarHBondContact O-N 3.37Å; R90-A94 WeakPolarHBondContact O-CB 3.43Å; R90-A94 PolarHBondContact O-N 3.45Å
91	E	96.9	Very high	96	Very high	14 Å²	14	83.8 Å²	83.8	7%	0.065	43%	0.425	C	S	.	.	H	α-helix	trans	-66.6	-40.8	179.8	-66.9	69.3	-145.1	0	0	110.8	A75 L78 A79 R84 I87 G88 A94 A95	A75-E91 HydrophobicContact CB-CB 4.34Å; L78-E91 HydrophobicContact CB-CB 4.3Å; L78-E91 HydrophobicContact CB-CG 4.25Å; A79-E91 HydrophobicContact CB-CG 4.11Å; R84-E91 IonicContact NH1-OE1 3.34Å; I87-E91 HydrophobicContact CG2-CB 4.16Å; G88-E91 WeakPolarHBondContact CA-OE2 3.41Å; G88-E91 PolarHBondContact N-OE2 3.02Å; G88-E91 PolarHBondContact O-N 3.42Å; E91-A94 PolarHBondContact O-N 3.45Å; E91-A95 WeakPolarHBondContact O-CB 3.28Å; E91-A95 PolarHBondContact O-N 3.2Å
92	V	97.6	Very high	96.1	Very high	61 Å²	61	79.5 Å²	79.5	37%	0.37	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-45.8	175	178.1	0	0	0	0	111.6	I71 A75 I87 G88 A89 A94 A95 V96	I71-V92 HydrophobicContact CG2-CG1 4.16Å; A75-V92 HydrophobicContact CB-CG2 4.23Å; I87-V92 HydrophobicContact CG2-CG2 3.83Å; G88-V92 PolarHBondContact O-N 2.85Å; A89-V92 PolarHBondContact O-N 3.41Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 2.99Å; V92-A95 PolarHBondContact O-N 2.93Å; V92-V96 VanDerWaalsContact O-CG2 3.32Å; V92-V96 WeakPolarHBondContact O-CG2 3.25Å; V92-V96 PolarHBondContact O-N 2.87Å
93	Q	97.3	Very high	96.3	Very high	43 Å²	43	84.3 Å²	84.3	20%	0.201	44%	0.44	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.7	-75.3	176.5	5	0	0	112.2	A89 R90 V96 R97 T113	A89-Q93 WeakPolarHBondContact O-CB 3.28Å; A89-Q93 VanDerWaalsContact O-CG 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.49Å; A89-Q93 PolarHBondContact O-N 3.14Å; R90-Q93 PolarHBondContact O-N 3.37Å; Q93-V96 PolarHBondContact O-N 3.41Å; Q93-R97 WeakPolarHBondContact O-CG 3.3Å; Q93-R97 PolarHBondContact O-N 3.27Å; Q93-R97 VanDerWaalsContact O-N 3.14Å; Q93-T113 PolarHBondContact NE2-OG1 2.99Å; Q93-T113 VanDerWaalsContact NE2-OG1 3.11Å
94	A	97.8	Very high	96.4	Very high	30 Å²	30	79.8 Å²	79.8	25%	0.248	42%	0.424	C	S	.	.	H	α-helix	trans	-66.1	-43.5	176	0	0	0	0	0	111.5	L78 R90 E91 V92 V96 R97 L98	L78-A94 HydrophobicContact CD1-CB 3.65Å; R90-A94 WeakPolarHBondContact O-CB 3.43Å; R90-A94 PolarHBondContact O-N 3.45Å; E91-A94 PolarHBondContact O-N 3.45Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 2.99Å; A94-V96 VanDerWaalsContact C-N 3.34Å; A94-V96 PolarHBondContact O-N 3.05Å; A94-R97 WeakPolarHBondContact O-CB 3.47Å; A94-R97 PolarHBondContact O-N 3.39Å; A94-R97 VanDerWaalsContact O-N 3.08Å; A94-L98 WeakPolarHBondContact O-CG 3.42Å; A94-L98 PolarHBondContact O-N 3.24Å; A94-L98 VanDerWaalsContact O-N 3.08Å
95	A	98.3	Very high	96.6	Very high	0 Å²	0	74 Å²	74	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-44	174.3	0	0	0	0	0	112.4	I71 E74 A75 L78 E91 V92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.33Å; E74-A95 HydrophobicContact CB-CB 3.88Å; E74-A95 HydrophobicContact CG-CB 3.99Å; A75-A95 HydrophobicContact CB-CB 3.93Å; L78-A95 HydrophobicContact CD1-CB 4.19Å; E91-A95 WeakPolarHBondContact O-CB 3.28Å; E91-A95 PolarHBondContact O-N 3.2Å; V92-A95 PolarHBondContact O-N 2.93Å; A95-R97 VanDerWaalsContact C-N 3.29Å; A95-R97 PolarHBondContact O-N 3.29Å; A95-L98 PolarHBondContact O-N 2.98Å; A95-L98 VanDerWaalsContact O-N 3.14Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 WeakPolarHBondContact O-CG 3.42Å; A95-L99 PolarHBondContact O-N 3.28Å
96	V	98.4	Very high	96.9	Very high	16 Å²	16	71 Å²	71	10%	0.097	39%	0.389	C	S	.	.	H	α-helix	trans	-59.5	-40.5	175.2	169.7	0	0	0	0	111.5	I71 V92 Q93 A94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 4.2Å; I71-V96 HydrophobicContact CG1-CG2 4.46Å; I71-V96 HydrophobicContact CG2-CG2 4.29Å; V92-V96 VanDerWaalsContact O-CG2 3.32Å; V92-V96 WeakPolarHBondContact O-CG2 3.25Å; V92-V96 PolarHBondContact O-N 2.87Å; Q93-V96 PolarHBondContact O-N 3.41Å; A94-V96 VanDerWaalsContact C-N 3.34Å; A94-V96 PolarHBondContact O-N 3.05Å; V96-L98 VanDerWaalsContact C-N 3.3Å; V96-L98 PolarHBondContact O-N 3.49Å; V96-L99 PolarHBondContact O-N 2.93Å; V96-L100 HydrophobicContact CG1-CD1 3.91Å; V96-L100 HydrophobicContact CG1-CG 4.44Å; V96-L100 WeakPolarHBondContact O-CB 3.31Å; V96-L100 PolarHBondContact O-N 3.47Å; V96-A108 HydrophobicContact CG1-CB 3.71Å; V96-V109 HydrophobicContact CG1-CG2 4.17Å
97	R	97.7	Very high	97	Very high	138 Å²	138	70.4 Å²	70.4	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-67.2	-28	177	-69	177.5	-175.5	123.1	-6	114	Q93 A94 A95 S105 V109	Q93-R97 WeakPolarHBondContact O-CG 3.3Å; Q93-R97 PolarHBondContact O-N 3.27Å; Q93-R97 VanDerWaalsContact O-N 3.14Å; A94-R97 WeakPolarHBondContact O-CB 3.47Å; A94-R97 PolarHBondContact O-N 3.39Å; A94-R97 VanDerWaalsContact O-N 3.08Å; A95-R97 VanDerWaalsContact C-N 3.29Å; A95-R97 PolarHBondContact O-N 3.29Å; R97-S105 WeakPolarHBondContact CA-OG 3.49Å; R97-V109 HydrophobicContact CG-CG2 3.84Å
98	L	97.6	Very high	97	Very high	110 Å²	110	68.5 Å²	68.5	58%	0.576	37%	0.374	S	S	*	.	H	α-helix	trans	-80.4	-33.2	176.2	-66.6	172.6	0	0	0	112.4	E74 L78 A94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.47Å; E74-L98 HydrophobicContact CG-CD1 4.03Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.34Å; L78-L98 HydrophobicContact CD1-CD1 4.18Å; L78-L98 HydrophobicContact CD2-CD1 4.36Å; A94-L98 WeakPolarHBondContact O-CG 3.42Å; A94-L98 PolarHBondContact O-N 3.24Å; A94-L98 VanDerWaalsContact O-N 3.08Å; A95-L98 PolarHBondContact O-N 2.98Å; A95-L98 VanDerWaalsContact O-N 3.14Å; V96-L98 VanDerWaalsContact C-N 3.3Å; V96-L98 PolarHBondContact O-N 3.49Å
99	L	98.1	Very high	97.1	Very high	61 Å²	61	67.7 Å²	67.7	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-91.8	-28.9	-173.5	-68.7	169.1	0	0	0	114.1	R70 I71 E74 A95 V96	R70-L99 HydrophobicContact CB-CD1 4.07Å; R70-L99 HydrophobicContact CB-CD2 4.42Å; I71-L99 HydrophobicContact CB-CD1 4.18Å; I71-L99 HydrophobicContact CG1-CD1 3.63Å; E74-L99 HydrophobicContact CB-CD1 4.1Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 WeakPolarHBondContact O-CG 3.42Å; A95-L99 PolarHBondContact O-N 3.28Å; V96-L99 PolarHBondContact O-N 2.93Å
100	L	97.5	Very high	97.3	Very high	40 Å²	40	70 Å²	70	21%	0.209	37%	0.369	C	S	.	.	S	Bend	trans	-108.1	139.7	-176.8	-58.7	-176.7	0	0	0	111.5	M67 V96 L104 S105 A108	M67-L100 HydrophobicContact CE-CD2 4.38Å; V96-L100 HydrophobicContact CG1-CD1 3.91Å; V96-L100 HydrophobicContact CG1-CG 4.44Å; V96-L100 WeakPolarHBondContact O-CB 3.31Å; V96-L100 PolarHBondContact O-N 3.47Å; L100-L104 HydrophobicContact CB-CG 4.45Å; L100-L104 HydrophobicContact CD1-CD2 4.42Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CD2-CD2 4.15Å; L100-S105 VanDerWaalsContact O-CB 3.25Å; L100-S105 WeakPolarHBondContact O-CB 3.49Å; L100-A108 HydrophobicContact CD1-CB 4.06Å
101	P	96.9	Very high	97.4	Very high	98 Å²	98	66.3 Å²	66.3	64%	0.636	36%	0.359	S	S	*	.			trans	-80.4	147.9	179.5	31.8	-34.9	0	0	0	112.5	E103 L104 S105	P101-E103 PolarHBondContact O-N 2.92Å; P101-L104 WeakPolarHBondContact O-CB 3.46Å; P101-L104 PolarHBondContact O-N 3.16Å; P101-S105 PolarHBondContact O-N 3.1Å
102	G	95.7	Very high	97.4	Very high	64 Å²	64	67 Å²	67	66%	0.66	37%	0.37	S	S	*	.	H	α-helix	trans	43.5	-125.9	160.4	0	0	0	0	0	116	L104 S105 M106	G102-L104 VanDerWaalsContact C-N 3.28Å; G102-L104 PolarHBondContact O-N 3.33Å; G102-S105 WeakPolarHBondContact O-CB 3.46Å; G102-S105 PolarHBondContact O-N 2.89Å; G102-M106 PolarHBondContact O-N 3.1Å
103	E	97.8	Very high	97.3	Very high	154 Å²	154	66.1 Å²	66.1	72%	0.72	37%	0.365	S	S	*	.	H	α-helix	trans	-62	-32.3	-175.5	-174.8	173.5	-168.8	0	0	113.2	P101 S105 M106 H107	P101-E103 PolarHBondContact O-N 2.92Å; E103-S105 PolarHBondContact O-N 2.92Å; E103-M106 HydrophobicContact CG-CE 4.02Å; E103-M106 PolarHBondContact O-N 3.21Å; E103-H107 PolarHBondContact O-N 3.1Å
104	L	96.3	Very high	97.3	Very high	100 Å²	100	71.9 Å²	71.9	52%	0.524	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-43.7	178.9	-178.1	62.2	0	0	0	111.2	L100 P101 G102 H107 A108	L100-L104 HydrophobicContact CB-CG 4.45Å; L100-L104 HydrophobicContact CD1-CD2 4.42Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CD2-CD2 4.15Å; P101-L104 WeakPolarHBondContact O-CB 3.46Å; P101-L104 PolarHBondContact O-N 3.16Å; G102-L104 VanDerWaalsContact C-N 3.28Å; G102-L104 PolarHBondContact O-N 3.33Å; L104-H107 PolarHBondContact O-N 2.94Å; L104-A108 VanDerWaalsContact O-CB 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.44Å; L104-A108 PolarHBondContact O-N 3.44Å
105	S	97.5	Very high	97.2	Very high	12 Å²	12	73.4 Å²	73.4	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-61.1	-46.7	173.3	164.8	0	0	0	0	111.5	R97 L100 P101 G102 E103 H107 A108 V109	R97-S105 WeakPolarHBondContact CA-OG 3.49Å; L100-S105 VanDerWaalsContact O-CB 3.25Å; L100-S105 WeakPolarHBondContact O-CB 3.49Å; P101-S105 PolarHBondContact O-N 3.1Å; G102-S105 WeakPolarHBondContact O-CB 3.46Å; G102-S105 PolarHBondContact O-N 2.89Å; E103-S105 PolarHBondContact O-N 2.92Å; S105-H107 PolarHBondContact O-N 3.36Å; S105-A108 PolarHBondContact O-N 3.17Å; S105-V109 WeakPolarHBondContact O-CB 3.39Å; S105-V109 WeakPolarHBondContact O-CG2 3.39Å; S105-V109 PolarHBondContact O-N 3.41Å
106	M	97.4	Very high	97	Very high	105 Å²	105	75.6 Å²	75.6	52%	0.517	42%	0.415	S	S	.	.	H	α-helix	trans	-57.5	-48	178.4	-177.5	177.6	64	0	0	111.7	G102 E103 V109 N110	G102-M106 PolarHBondContact O-N 3.1Å; E103-M106 HydrophobicContact CG-CE 4.02Å; E103-M106 PolarHBondContact O-N 3.21Å; M106-V109 PolarHBondContact O-N 3.09Å; M106-N110 WeakPolarHBondContact O-CB 3.32Å; M106-N110 PolarHBondContact O-N 3.32Å; M106-N110 PolarHBondContact O-ND2 3.42Å
107	H	97.8	Very high	96.9	Very high	97 Å²	97	79.2 Å²	79.2	45%	0.449	43%	0.433	S	S	.	.	H	α-helix	trans	-66.3	-40.9	179.2	-168.8	50.7	0	0	0	112.8	E103 L104 S105 N110 K111	E103-H107 PolarHBondContact O-N 3.1Å; L104-H107 PolarHBondContact O-N 2.94Å; S105-H107 PolarHBondContact O-N 3.36Å; H107-N110 PolarHBondContact O-N 2.96Å; H107-K111 VanDerWaalsContact CE1-CE 3.44Å; H107-K111 WeakPolarHBondContact CE1-CE 3.21Å; H107-K111 WeakPolarHBondContact NE2-CE 3.17Å; H107-K111 PolarHBondContact NE2-NZ 3.32Å; H107-K111 VanDerWaalsContact NE2-NZ 3.11Å; H107-K111 WeakPolarHBondContact O-CB 3.35Å; H107-K111 WeakPolarHBondContact O-CG 3.34Å; H107-K111 PolarHBondContact O-N 3.18Å
108	A	97.3	Very high	96.8	Very high	36 Å²	36	79.3 Å²	79.3	30%	0.298	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-45.1	177.3	0	0	0	0	0	111.2	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.71Å; L100-A108 HydrophobicContact CD1-CB 4.06Å; L104-A108 VanDerWaalsContact O-CB 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.44Å; L104-A108 PolarHBondContact O-N 3.44Å; S105-A108 PolarHBondContact O-N 3.17Å; A108-G112 PolarHBondContact O-N 3.29Å
109	V	97.5	Very high	96.7	Very high	10 Å²	10	81.7 Å²	81.7	6%	0.061	44%	0.44	C	S	.	.	H	α-helix	trans	-63.4	-45.2	175.3	170.7	0	0	0	0	111.1	V96 R97 S105 M106 K111 G112 T113	V96-V109 HydrophobicContact CG1-CG2 4.17Å; R97-V109 HydrophobicContact CG-CG2 3.84Å; S105-V109 WeakPolarHBondContact O-CB 3.39Å; S105-V109 WeakPolarHBondContact O-CG2 3.39Å; S105-V109 PolarHBondContact O-N 3.41Å; M106-V109 PolarHBondContact O-N 3.09Å; V109-K111 PolarHBondContact O-N 3.4Å; V109-G112 PolarHBondContact O-N 2.91Å; V109-T113 WeakPolarHBondContact O-CB 3.46Å; V109-T113 PolarHBondContact O-N 3.03Å; V109-T113 PolarHBondContact O-OG1 3.3Å
110	N	97.9	Very high	96.4	Very high	93 Å²	93	84.2 Å²	84.2	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-61.2	-45.8	179.6	-72.8	-16	0	0	0	111.8	M106 H107 K114	M106-N110 WeakPolarHBondContact O-CB 3.32Å; M106-N110 PolarHBondContact O-N 3.32Å; M106-N110 PolarHBondContact O-ND2 3.42Å; H107-N110 PolarHBondContact O-N 2.96Å; N110-K114 PolarHBondContact O-N 3.32Å
111	K	95.4	Very high	96.1	Very high	110 Å²	110	87.1 Å²	87.1	48%	0.478	48%	0.475	S	S	.	.	H	α-helix	trans	-62	-44.6	174.4	-76.7	178.1	167.6	172.2	0	111.9	H107 V109 K114 A115	H107-K111 VanDerWaalsContact CE1-CE 3.44Å; H107-K111 WeakPolarHBondContact CE1-CE 3.21Å; H107-K111 WeakPolarHBondContact NE2-CE 3.17Å; H107-K111 PolarHBondContact NE2-NZ 3.32Å; H107-K111 VanDerWaalsContact NE2-NZ 3.11Å; H107-K111 WeakPolarHBondContact O-CB 3.35Å; H107-K111 WeakPolarHBondContact O-CG 3.34Å; H107-K111 PolarHBondContact O-N 3.18Å; V109-K111 PolarHBondContact O-N 3.4Å; K111-K114 PolarHBondContact O-N 3.27Å; K111-A115 PolarHBondContact O-N 3.37Å
112	G	96.8	Very high	95.6	Very high	29 Å²	29	90.4 Å²	90.4	30%	0.299	48%	0.48	S	S	.	.	H	α-helix	trans	-60.5	-48.7	177.6	0	0	0	0	0	112.3	A108 V109 K114 A115 V116	A108-G112 PolarHBondContact O-N 3.29Å; V109-G112 PolarHBondContact O-N 2.91Å; G112-K114 VanDerWaalsContact C-N 3.33Å; G112-K114 PolarHBondContact O-N 2.96Å; G112-A115 WeakPolarHBondContact O-CB 3.37Å; G112-A115 PolarHBondContact O-N 3.11Å; G112-A115 VanDerWaalsContact O-N 3.12Å; G112-V116 WeakPolarHBondContact O-CG2 3.42Å; G112-V116 PolarHBondContact O-N 2.97Å
113	T	96.8	Very high	94.4	Very high	43 Å²	43	97.7 Å²	97.7	26%	0.264	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-43.3	176.8	-60.6	0	0	0	0	111.5	Q93 V109 A115 V116 N117	Q93-T113 PolarHBondContact NE2-OG1 2.99Å; Q93-T113 VanDerWaalsContact NE2-OG1 3.11Å; V109-T113 WeakPolarHBondContact O-CB 3.46Å; V109-T113 PolarHBondContact O-N 3.03Å; V109-T113 PolarHBondContact O-OG1 3.3Å; T113-A115 VanDerWaalsContact C-N 3.3Å; T113-A115 PolarHBondContact O-N 3.06Å; T113-V116 PolarHBondContact O-N 3.38Å; T113-N117 WeakPolarHBondContact O-CB 3.47Å; T113-N117 PolarHBondContact O-N 2.9Å; T113-N117 PolarHBondContact O-OD1 2.79Å
114	K	96.5	Very high	94.2	Very high	164 Å²	164	94.9 Å²	94.9	71%	0.713	48%	0.482	S	S	*	.	H	α-helix	trans	-60.2	-40.8	175.6	-172.4	173.9	-177.5	173.4	0	112.1	N110 K111 G112 K118	N110-K114 PolarHBondContact O-N 3.32Å; K111-K114 PolarHBondContact O-N 3.27Å; G112-K114 VanDerWaalsContact C-N 3.33Å; G112-K114 PolarHBondContact O-N 2.96Å; K114-K118 VanDerWaalsContact O-CB 3.3Å; K114-K118 WeakPolarHBondContact O-CB 3.44Å; K114-K118 PolarHBondContact O-N 3.12Å
115	A	95.6	Very high	94.1	Very high	61 Å²	61	94.6 Å²	94.6	50%	0.504	48%	0.48	S	S	.	.	H	α-helix	trans	-67.2	-43.9	177.4	0	0	0	0	0	112.3	K111 G112 T113 K118 Y119	K111-A115 PolarHBondContact O-N 3.37Å; G112-A115 WeakPolarHBondContact O-CB 3.37Å; G112-A115 PolarHBondContact O-N 3.11Å; G112-A115 VanDerWaalsContact O-N 3.12Å; T113-A115 VanDerWaalsContact C-N 3.3Å; T113-A115 PolarHBondContact O-N 3.06Å; A115-K118 PolarHBondContact O-N 3.32Å; A115-Y119 PolarHBondContact O-N 2.85Å
116	V	95.2	Very high	94	Very high	47 Å²	47	99.2 Å²	99.2	29%	0.285	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-47.5	177	172.7	0	0	0	0	110.8	A89 G112 T113 K118 Y119 M120	A89-V116 HydrophobicContact CB-CG1 4.45Å; A89-V116 HydrophobicContact CB-CG2 4.22Å; G112-V116 WeakPolarHBondContact O-CG2 3.42Å; G112-V116 PolarHBondContact O-N 2.97Å; T113-V116 PolarHBondContact O-N 3.38Å; V116-K118 VanDerWaalsContact C-N 3.33Å; V116-K118 PolarHBondContact O-N 3.46Å; V116-Y119 PolarHBondContact O-N 3.17Å; V116-Y119 VanDerWaalsContact O-N 3.16Å; V116-M120 HydrophobicContact CG1-CE 4.38Å; V116-M120 HydrophobicContact CG1-CG 4.31Å; V116-M120 WeakPolarHBondContact O-CG 3.47Å; V116-M120 PolarHBondContact O-N 3.42Å
117	N	95.5	Very high	93.8	Very high	91 Å²	91	98.8 Å²	98.8	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-44.7	178.5	-69.3	-5.9	0	0	0	111.2	T113 Y119 M120 S121	T113-N117 WeakPolarHBondContact O-CB 3.47Å; T113-N117 PolarHBondContact O-N 2.9Å; T113-N117 PolarHBondContact O-OD1 2.79Å; N117-Y119 VanDerWaalsContact C-N 3.31Å; N117-Y119 PolarHBondContact O-N 3.25Å; N117-M120 PolarHBondContact O-N 2.76Å; N117-S121 PolarHBondContact O-N 3.47Å; N117-S121 PolarHBondContact O-OG 2.83Å; N117-S121 VanDerWaalsContact O-OG 3.07Å
118	K	96	Very high	93.5	Very high	140 Å²	140	98.9 Å²	98.9	61%	0.609	50%	0.504	S	S	*	.	H	α-helix	trans	-56.3	-46.3	175.4	179.6	174	-178.8	179.6	0	111.2	K114 A115 V116 S121 F122	K114-K118 VanDerWaalsContact O-CB 3.3Å; K114-K118 WeakPolarHBondContact O-CB 3.44Å; K114-K118 PolarHBondContact O-N 3.12Å; A115-K118 PolarHBondContact O-N 3.32Å; V116-K118 VanDerWaalsContact C-N 3.33Å; V116-K118 PolarHBondContact O-N 3.46Å; K118-S121 PolarHBondContact O-N 3.24Å; K118-F122 HydrophobicContact CD-CE2 4.24Å; K118-F122 HydrophobicContact CG-CD2 4.13Å; K118-F122 HydrophobicContact CG-CE2 3.58Å; K118-F122 WeakPolarHBondContact O-CD2 3.12Å; K118-F122 PolarHBondContact O-N 3.27Å
119	Y	94.8	Very high	93.2	Very high	161 Å²	161	103.1 Å²	103.1	63%	0.631	52%	0.518	S	S	*	.	H	α-helix	trans	-63.4	-43.2	178	178.3	-100.1	0	0	0	112.5	A115 V116 N117 S121 F122	A115-Y119 PolarHBondContact O-N 2.85Å; V116-Y119 PolarHBondContact O-N 3.17Å; V116-Y119 VanDerWaalsContact O-N 3.16Å; N117-Y119 VanDerWaalsContact C-N 3.31Å; N117-Y119 PolarHBondContact O-N 3.25Å; Y119-S121 VanDerWaalsContact C-N 3.3Å; Y119-S121 PolarHBondContact O-N 3.3Å; Y119-F122 PolarHBondContact O-N 3.14Å
120	M	93.1	Very high	92.9	Very high	113 Å²	113	109.8 Å²	109.8	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-64.5	-33	178.2	-66.6	-65	-172.8	0	0	112.6	V116 N117 F122 K123	V116-M120 HydrophobicContact CG1-CE 4.38Å; V116-M120 HydrophobicContact CG1-CG 4.31Å; V116-M120 WeakPolarHBondContact O-CG 3.47Å; V116-M120 PolarHBondContact O-N 3.42Å; N117-M120 PolarHBondContact O-N 2.76Å; M120-F122 VanDerWaalsContact C-N 3.28Å; M120-F122 PolarHBondContact O-N 3.32Å; M120-K123 PolarHBondContact O-N 2.68Å
121	S	91.2	Very high	92.6	Very high	102 Å²	102	111.1 Å²	111.1	71%	0.713	56%	0.555	S	S	*	*	H	α-helix	trans	-71.7	-18.6	176	-57.3	0	0	0	0	114.3	N117 K118 Y119	N117-S121 PolarHBondContact O-N 3.47Å; N117-S121 PolarHBondContact O-OG 2.83Å; N117-S121 VanDerWaalsContact O-OG 3.07Å; K118-S121 PolarHBondContact O-N 3.24Å; Y119-S121 VanDerWaalsContact C-N 3.3Å; Y119-S121 PolarHBondContact O-N 3.3Å
122	F	86.4	Confident	92.3	Very high	167 Å²	167	111.2 Å²	111.2	73%	0.732	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-8	174.2	-75.2	-68.5	0	0	0	113.2	K118 Y119 M120	K118-F122 HydrophobicContact CD-CE2 4.24Å; K118-F122 HydrophobicContact CG-CD2 4.13Å; K118-F122 HydrophobicContact CG-CE2 3.58Å; K118-F122 WeakPolarHBondContact O-CD2 3.12Å; K118-F122 PolarHBondContact O-N 3.27Å; Y119-F122 PolarHBondContact O-N 3.14Å; M120-F122 VanDerWaalsContact C-N 3.28Å; M120-F122 PolarHBondContact O-N 3.32Å
123	K	70.1	Confident	91.9	Very high	216 Å²	216	118.6 Å²	118.6	94%	0.939	59%	0.585	S	S	*	*			trans	-94.5	0	178.7	-173.8	-179	175.2	67.6	0	110.2	M120	M120-K123 PolarHBondContact O-N 2.68Å

Retrieved 123 of 123 residues in 160.7 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).