A0A077Z1F5_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 A0A077Z1F5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077Z1F5_TRITR|A0A077Z1F5
MAETSTGEGVKKAGSSRMTMKSGDKKRRKKRKESFSTYIYKVLKLYHSDLEISSMAMSIMNSFVGDVFDRIASEASRLAQHSKRHTIGAREIQAAVRLLLPGELSRHAVSEGTKAVDKYMSNK
					

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	42.5	Very low	46.5	Very low	244 Å²	244	142.6 Å²	142.6	100%	1.202	84%	0.842	S	S	*	*				0	82.5	0	-70.4	173.5	172.7	0	0	105.7
2	A	49.4	Very low	46.1	Very low	78 Å²	78	146.8 Å²	146.8	65%	0.645	84%	0.841	S	S	*	*				90.2	96.7	95.5	0	0	0	0	0	108.7
3	E	52.5	Low	45.8	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	84%	0.839	S	S	*	*				87.1	138.9	96.5	-77.4	169.5	-159.6	0	0	109.8
4	T	51.3	Low	45.1	Very low	110 Å²	110	138.9 Å²	138.9	68%	0.675	84%	0.841	S	S	*	*			cis	-176.9	131.1	8.2	23.2	0	0	0	0	104.1
5	S	50.3	Low	45	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	84%	0.838	S	S	*	*				59.9	122.3	91.9	-46.3	0	0	0	0	115.6
6	T	45.7	Very low	45	Very low	154 Å²	154	134.7 Å²	134.7	95%	0.945	83%	0.828	S	S	*	*			trans	-168.7	118.1	133.9	20.3	0	0	0	0	109.3
7	G	43.2	Very low	44.5	Very low	76 Å²	76	140.6 Å²	140.6	78%	0.784	83%	0.832	S	S	*	*			trans	-107.3	151	166.1	0	0	0	0	0	109.5
8	E	44.6	Very low	44.4	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	83%	0.828	S	S	*	*			trans	-134	118.4	162.9	-78.3	-171.9	114.3	0	0	108.1
9	G	41.2	Very low	44.2	Very low	72 Å²	72	140.7 Å²	140.7	74%	0.742	83%	0.826	S	S	*	*			trans	-108.3	145.3	167	0	0	0	0	0	109.6
10	V	51.3	Low	44.5	Very low	136 Å²	136	141.7 Å²	141.7	82%	0.824	82%	0.824	S	S	*	*			trans	-147.7	118.7	154.7	169.2	0	0	0	0	109.3
11	K	39.1	Very low	44.6	Very low	213 Å²	213	144.3 Å²	144.3	93%	0.926	83%	0.826	S	S	*	*			trans	-81.5	126.2	167.1	-62.9	175	179.1	176.1	0	109.1
12	K	42.4	Very low	44.6	Very low	192 Å²	192	138.4 Å²	138.4	84%	0.835	81%	0.808	S	S	*	*			trans	-136.9	102.4	160.8	-101.3	-179.7	174.3	175.3	0	106.6
13	A	42.1	Very low	44.4	Very low	99 Å²	99	137.9 Å²	137.9	82%	0.818	81%	0.811	S	S	*	*				64	96.7	81.2	0	0	0	0	0	113.3
14	G	35.5	Very low	44.4	Very low	84 Å²	84	136.9 Å²	136.9	87%	0.866	81%	0.811	S	S	*	*			trans	63.1	108.3	139.9	0	0	0	0	0	119.7
15	S	43.4	Very low	44.7	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	82%	0.82	S	S	*	*			trans	-160.8	134.5	138.7	-163.1	0	0	0	0	112.8
16	S	44.8	Very low	45.3	Very low	97 Å²	97	145.4 Å²	145.4	68%	0.678	83%	0.825	S	S	*	*			trans	72.4	92.7	155.9	64.2	0	0	0	0	120.1	M18	S16-M18 PolarHBondContact O-N 3.44Å
17	R	36.6	Very low	46.2	Very low	235 Å²	235	149.6 Å²	149.6	89%	0.887	82%	0.824	S	S	*	*			trans	-43	118.6	140.2	-77.9	173.3	178.5	142.3	0.1	110.2
18	M	44.1	Very low	47.3	Very low	156 Å²	156	157.7 Å²	157.7	77%	0.768	83%	0.831	S	S	*	*			trans	-113.7	81.2	148	-73.4	-148.7	-162.8	0	0	108.9	S16 M20	S16-M18 PolarHBondContact O-N 3.44Å; M18-M20 VanDerWaalsContact C-N 3.34Å; M18-M20 PolarHBondContact O-N 3.43Å; M18-M20 HydrophobicContact SD-CE 4.39Å
19	T	39.2	Very low	48.5	Very low	128 Å²	128	157.6 Å²	157.6	79%	0.785	83%	0.827	S	S	*	*			trans	-72	92.6	151.2	45.3	0	0	0	0	107.5
20	M	51.2	Low	50	Low	159 Å²	159	163.5 Å²	163.5	78%	0.783	83%	0.832	S	S	*	*			trans	-105.1	103.2	163.8	-74.9	-158.1	170.8	0	0	110	M18	M18-M20 VanDerWaalsContact C-N 3.34Å; M18-M20 PolarHBondContact O-N 3.43Å; M18-M20 HydrophobicContact SD-CE 4.39Å
21	K	46.9	Very low	51.2	Low	198 Å²	198	167.9 Å²	167.9	86%	0.861	83%	0.834	S	S	*	*			trans	28.9	111.1	140.5	-76.7	174.4	168.4	175.6	0	116
22	S	41.4	Very low	53	Low	119 Å²	119	166.3 Å²	166.3	83%	0.832	83%	0.827	S	S	*	*				63.9	116.2	84.5	-165.5	0	0	0	0	113.3
23	G	46.2	Very low	54.9	Low	68 Å²	68	165.7 Å²	165.7	70%	0.701	83%	0.827	S	S	*	*			trans	110.8	-26	134.7	0	0	0	0	0	118.7	K25	G23-K25 PolarHBondContact O-N 3.41Å
24	D	51.2	Low	57.4	Low	156 Å²	156	163.3 Å²	163.3	83%	0.834	81%	0.805	S	S	*	*			trans	-85.3	81.3	-179.5	-85.7	-51.8	0	0	0	111.5	K26	D24-K26 PolarHBondContact O-N 2.93Å
25	K	59	Low	60.2	Low	200 Å²	200	163.2 Å²	163.2	87%	0.87	78%	0.781	S	S	*	*			trans	-57	85.8	151.5	-78.3	179.1	-179.2	170.9	0	106.6	G23 R27	G23-K25 PolarHBondContact O-N 3.41Å; K25-R27 PolarHBondContact O-N 3.45Å
26	K	61.8	Low	62.7	Low	194 Å²	194	159.6 Å²	159.6	84%	0.843	76%	0.755	S	S	*	*			trans	-34.3	107.6	174.5	-90.4	178.8	174.7	172.9	0	107.5	D24 R28	D24-K26 PolarHBondContact O-N 2.93Å; K26-R28 PolarHBondContact O-N 2.93Å
27	R	64.8	Low	65.1	Low	242 Å²	242	159.3 Å²	159.3	91%	0.913	75%	0.749	S	S	*	*			trans	-37.2	117.3	178	-83.3	175.9	162.1	179.3	-5.4	107.5	K25 K29	K25-R27 PolarHBondContact O-N 3.45Å; R27-K29 PolarHBondContact O-N 3.18Å
28	R	67.4	Low	67.9	Low	247 Å²	247	155.1 Å²	155.1	93%	0.932	74%	0.735	S	S	*	*			trans	-48.3	109.9	178.9	-83.4	-177.8	164.7	-178.5	-4.1	107.2	K26 K30	K26-R28 PolarHBondContact O-N 2.93Å; R28-K30 PolarHBondContact O-N 3.06Å
29	K	68.2	Low	70.4	Confident	200 Å²	200	148.8 Å²	148.8	87%	0.87	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-54.2	129.7	-179.8	-170.2	173.4	-177.9	176	0	107	R27 R31	R27-K29 PolarHBondContact O-N 3.18Å; K29-R31 PolarHBondContact O-N 3.16Å; K29-R31 VanDerWaalsContact O-N 3.1Å
30	K	74.3	Confident	73.2	Confident	196 Å²	196	147.6 Å²	147.6	85%	0.852	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-48	123.6	176.1	-173.6	176.1	-179.8	-179.5	0	107.5	R28 K32	R28-K30 PolarHBondContact O-N 3.06Å; K30-K32 PolarHBondContact O-N 3.37Å
31	R	74.8	Confident	75.4	Confident	229 Å²	229	146.5 Å²	146.5	86%	0.864	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-55.7	117.9	-179	179.8	175.3	172.5	173.1	-3.6	107.3	K29 E33	K29-R31 PolarHBondContact O-N 3.16Å; K29-R31 VanDerWaalsContact O-N 3.1Å; R31-E33 PolarHBondContact O-N 2.96Å
32	K	77	Confident	77.8	Confident	179 Å²	179	141 Å²	141	78%	0.778	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-76.1	121.4	171.6	-167.7	176.4	-179.4	-176.8	0	106.5	K30 S34	K30-K32 PolarHBondContact O-N 3.37Å; K32-S34 PolarHBondContact O-N 3.48Å
33	E	83.3	Confident	80.4	Confident	180 Å²	180	137 Å²	137	84%	0.841	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.6	170	-68.4	177.6	169.2	0	0	108.3	R31	R31-E33 PolarHBondContact O-N 2.96Å
34	S	93.5	Very high	82.9	Confident	49 Å²	49	136.7 Å²	136.7	34%	0.343	61%	0.608	S	S	.	*			trans	-149.8	143.7	-175.7	176.8	0	0	0	0	109.4	K32 S36 N61	K32-S34 PolarHBondContact O-N 3.48Å; S34-S36 VanDerWaalsContact C-N 3.27Å; S34-S36 WeakPolarHBondContact OG-CB 3.35Å; S34-S36 PolarHBondContact OG-N 2.98Å; S34-S36 VanDerWaalsContact OG-N 3.1Å; S34-S36 PolarHBondContact OG-OG 3Å; S34-N61 WeakPolarHBondContact CA-OD1 3.49Å; S34-N61 PolarHBondContact OG-OD1 2.94Å; S34-N61 VanDerWaalsContact OG-OD1 3.08Å
35	F	95.1	Very high	85	Confident	82 Å²	82	135.6 Å²	135.6	36%	0.36	60%	0.601	S	S	.	*	S	Bend	trans	-83.7	-0.2	174.1	-60.7	-77	0	0	0	112.8	T37 Y38 I39 N61 V64	F35-T37 VanDerWaalsContact C-N 3.3Å; F35-T37 PolarHBondContact O-N 3.13Å; F35-T37 VanDerWaalsContact O-N 3.13Å; F35-Y38 HydrophobicContact CD1-CD2 4.34Å; F35-Y38 PolarHBondContact O-N 3.29Å; F35-I39 HydrophobicContact CB-CD1 3.83Å; F35-I39 HydrophobicContact CB-CG1 4.17Å; F35-I39 WeakPolarHBondContact O-CG1 3.38Å; F35-I39 PolarHBondContact O-N 2.93Å; F35-N61 PolarHBondContact N-OD1 2.88Å; F35-V64 HydrophobicContact CB-CG1 4.33Å; F35-V64 HydrophobicContact CD1-CG1 3.94Å; F35-V64 HydrophobicContact CD2-CB 3.95Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.1Å; F35-V64 HydrophobicContact CE2-CB 4.4Å; F35-V64 HydrophobicContact CE2-CG1 3.72Å; F35-V64 HydrophobicContact CG-CB 4.25Å; F35-V64 HydrophobicContact CG-CG1 3.67Å; F35-V64 HydrophobicContact CZ-CG1 4Å
36	S	95.1	Very high	86.8	Confident	38 Å²	38	134.1 Å²	134.1	27%	0.266	59%	0.591	S	S	.	*	H	α-helix	trans	-52.3	-41.7	-171.4	-60.3	0	0	0	0	114.5	S34 Y38 I39 Y40 M57	S34-S36 VanDerWaalsContact C-N 3.27Å; S34-S36 WeakPolarHBondContact OG-CB 3.35Å; S34-S36 PolarHBondContact OG-N 2.98Å; S34-S36 VanDerWaalsContact OG-N 3.1Å; S34-S36 PolarHBondContact OG-OG 3Å; S36-Y38 VanDerWaalsContact C-N 3.33Å; S36-Y38 PolarHBondContact O-N 3.23Å; S36-I39 PolarHBondContact O-N 3.43Å; S36-Y40 WeakPolarHBondContact O-CB 3.33Å; S36-Y40 PolarHBondContact O-N 3.11Å; S36-M57 VanDerWaalsContact CA-SD 3.53Å; S36-M57 WeakPolarHBondContact OG-CG 3.24Å
37	T	95.2	Very high	88.4	Confident	90 Å²	90	129.5 Å²	129.5	55%	0.552	57%	0.572	S	S	*	*	H	α-helix	trans	-64.1	-38.9	178.1	-54.9	0	0	0	0	112	F35 K41	F35-T37 VanDerWaalsContact C-N 3.3Å; F35-T37 PolarHBondContact O-N 3.13Å; F35-T37 VanDerWaalsContact O-N 3.13Å; T37-K41 WeakPolarHBondContact O-CG 3.39Å; T37-K41 PolarHBondContact O-N 3.23Å; T37-K41 VanDerWaalsContact O-N 3.11Å
38	Y	96.6	Very high	89.9	Confident	148 Å²	148	122.4 Å²	122.4	58%	0.58	56%	0.56	S	S	*	*	H	α-helix	trans	-75.6	-39.7	-180	-52.5	-66.4	0	0	0	111.5	F35 S36 Y40 K41 V42	F35-Y38 HydrophobicContact CD1-CD2 4.34Å; F35-Y38 PolarHBondContact O-N 3.29Å; S36-Y38 VanDerWaalsContact C-N 3.33Å; S36-Y38 PolarHBondContact O-N 3.23Å; Y38-Y40 VanDerWaalsContact C-N 3.28Å; Y38-Y40 PolarHBondContact O-N 3.29Å; Y38-K41 PolarHBondContact O-N 3.28Å; Y38-K41 VanDerWaalsContact O-N 3.17Å; Y38-V42 WeakPolarHBondContact O-CG2 3.25Å; Y38-V42 PolarHBondContact O-N 2.89Å
39	I	97	Very high	91.3	Very high	22 Å²	22	116.7 Å²	116.7	11%	0.113	55%	0.548	C	S	.	.	H	α-helix	trans	-56.7	-45.7	173.6	-66	162.9	0	0	0	109.8	F35 S36 V42 L43 M57 M60 N61 V64	F35-I39 HydrophobicContact CB-CD1 3.83Å; F35-I39 HydrophobicContact CB-CG1 4.17Å; F35-I39 WeakPolarHBondContact O-CG1 3.38Å; F35-I39 PolarHBondContact O-N 2.93Å; S36-I39 PolarHBondContact O-N 3.43Å; I39-V42 PolarHBondContact O-N 3.25Å; I39-L43 PolarHBondContact O-N 3.48Å; I39-M57 HydrophobicContact CB-CE 4.49Å; I39-M57 HydrophobicContact CB-SD 3.96Å; I39-M57 HydrophobicContact CD1-SD 4.17Å; I39-M57 HydrophobicContact CG2-CE 4.22Å; I39-M57 HydrophobicContact CG2-SD 3.84Å; I39-M60 HydrophobicContact CD1-CB 3.9Å; I39-M60 HydrophobicContact CG2-CB 4.05Å; I39-M60 HydrophobicContact CG2-CG 4.48Å; I39-N61 HydrophobicContact CD1-CB 4.25Å; I39-V64 HydrophobicContact CD1-CG2 4.38Å; I39-V64 HydrophobicContact CG1-CG2 4.5Å
40	Y	97	Very high	92.7	Very high	103 Å²	103	111 Å²	111	40%	0.404	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-40.7	177.1	-170.9	-98.5	0	0	0	113	S36 Y38 V42 L43 K44 I52	S36-Y40 WeakPolarHBondContact O-CB 3.33Å; S36-Y40 PolarHBondContact O-N 3.11Å; Y38-Y40 VanDerWaalsContact C-N 3.28Å; Y38-Y40 PolarHBondContact O-N 3.29Å; Y40-V42 VanDerWaalsContact C-N 3.35Å; Y40-V42 PolarHBondContact O-N 3.4Å; Y40-L43 PolarHBondContact O-N 3.47Å; Y40-K44 HydrophobicContact CD1-CG 4.2Å; Y40-K44 HydrophobicContact CE1-CG 3.78Å; Y40-K44 VanDerWaalsContact CZ-CE 3.45Å; Y40-K44 PolarHBondContact O-N 3.33Å; Y40-K44 WeakPolarHBondContact OH-CE 3.43Å; Y40-I52 HydrophobicContact CD2-CG2 4.21Å
41	K	97.3	Very high	93.7	Very high	136 Å²	136	109.5 Å²	109.5	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-42.4	175.1	-76.4	178.4	177.8	-173.4	0	112.2	T37 Y38 K44 L45	T37-K41 WeakPolarHBondContact O-CG 3.39Å; T37-K41 PolarHBondContact O-N 3.23Å; T37-K41 VanDerWaalsContact O-N 3.11Å; Y38-K41 PolarHBondContact O-N 3.28Å; Y38-K41 VanDerWaalsContact O-N 3.17Å; K41-K44 PolarHBondContact O-N 3.02Å; K41-L45 PolarHBondContact O-N 3.34Å
42	V	96.9	Very high	94.7	Very high	82 Å²	82	101 Å²	101	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-42.9	176.6	174.6	0	0	0	0	110.6	Y38 I39 Y40 K44 L45 Y46	Y38-V42 WeakPolarHBondContact O-CG2 3.25Å; Y38-V42 PolarHBondContact O-N 2.89Å; I39-V42 PolarHBondContact O-N 3.25Å; Y40-V42 VanDerWaalsContact C-N 3.35Å; Y40-V42 PolarHBondContact O-N 3.4Å; V42-K44 VanDerWaalsContact C-N 3.35Å; V42-K44 PolarHBondContact O-N 3.42Å; V42-L45 WeakPolarHBondContact O-CB 3.49Å; V42-L45 PolarHBondContact O-N 3.27Å; V42-L45 VanDerWaalsContact O-N 3.14Å; V42-Y46 HydrophobicContact CG1-CD2 4.16Å; V42-Y46 HydrophobicContact CG1-CE2 4.06Å; V42-Y46 WeakPolarHBondContact O-CD2 3.47Å; V42-Y46 PolarHBondContact O-N 3Å
43	L	97.3	Very high	95.7	Very high	37 Å²	37	95.9 Å²	95.9	19%	0.194	48%	0.48	C	S	.	.	H	α-helix	trans	-55.3	-49.9	175.4	176.2	64.2	0	0	0	111.4	I39 Y40 L45 Y46 H47 L50 I52	I39-L43 PolarHBondContact O-N 3.48Å; Y40-L43 PolarHBondContact O-N 3.47Å; L43-L45 PolarHBondContact O-N 3.19Å; L43-Y46 PolarHBondContact O-N 2.77Å; L43-H47 HydrophobicContact CD1-CB 4.38Å; L43-H47 CarbonylContact O-C 3.5Å; L43-H47 PolarHBondContact O-N 2.94Å; L43-L50 HydrophobicContact CD1-CB 4.42Å; L43-I52 HydrophobicContact CD2-CB 3.88Å; L43-I52 HydrophobicContact CD2-CG2 3.86Å
44	K	97.3	Very high	96.3	Very high	61 Å²	61	92.4 Å²	92.4	27%	0.265	48%	0.476	S	S	.	.	H	α-helix	trans	-69.1	-18.2	-179	-68	-56.6	-170.1	-177.1	0	114.3	Y40 K41 V42 S48 L50	Y40-K44 HydrophobicContact CD1-CG 4.2Å; Y40-K44 HydrophobicContact CE1-CG 3.78Å; Y40-K44 VanDerWaalsContact CZ-CE 3.45Å; Y40-K44 PolarHBondContact O-N 3.33Å; Y40-K44 WeakPolarHBondContact OH-CE 3.43Å; K41-K44 PolarHBondContact O-N 3.02Å; V42-K44 VanDerWaalsContact C-N 3.35Å; V42-K44 PolarHBondContact O-N 3.42Å; K44-S48 PolarHBondContact NZ-O 3.5Å; K44-L50 PolarHBondContact NZ-O 3.23Å
45	L	96.5	Very high	96.5	Very high	132 Å²	132	96.8 Å²	96.8	69%	0.691	49%	0.493	S	S	*	.	H	α-helix	trans	-72.2	-34.3	174.3	-175.9	62.2	0	0	0	112.3	K41 V42 L43	K41-L45 PolarHBondContact O-N 3.34Å; V42-L45 WeakPolarHBondContact O-CB 3.49Å; V42-L45 PolarHBondContact O-N 3.27Å; V42-L45 VanDerWaalsContact O-N 3.14Å; L43-L45 PolarHBondContact O-N 3.19Å
46	Y	96.1	Very high	96.6	Very high	170 Å²	170	94.4 Å²	94.4	67%	0.667	49%	0.489	S	S	*	.	H	α-helix	trans	-103.1	-30.1	-177.4	-66.1	-78.9	0	0	0	113.4	V42 L43	V42-Y46 HydrophobicContact CG1-CD2 4.16Å; V42-Y46 HydrophobicContact CG1-CE2 4.06Å; V42-Y46 WeakPolarHBondContact O-CD2 3.47Å; V42-Y46 PolarHBondContact O-N 3Å; L43-Y46 PolarHBondContact O-N 2.77Å
47	H	96.5	Very high	96.7	Very high	96 Å²	96	93.9 Å²	93.9	44%	0.444	48%	0.482	S	S	.	.			trans	-141.3	87.1	-177.4	-60.7	-67.9	0	0	0	110.6	L43 D49 L50	L43-H47 HydrophobicContact CD1-CB 4.38Å; L43-H47 CarbonylContact O-C 3.5Å; L43-H47 PolarHBondContact O-N 2.94Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.11Å; H47-L50 HydrophobicContact CB-CB 3.98Å; H47-L50 HydrophobicContact CB-CD1 3.6Å; H47-L50 HydrophobicContact CB-CG 3.79Å; H47-L50 PolarHBondContact O-N 2.96Å
48	S	95.9	Very high	96.8	Very high	93 Å²	93	93 Å²	93	65%	0.65	48%	0.48	S	S	*	.	S	Bend	trans	-66.8	-27.5	-175.7	51.5	0	0	0	0	113.8	K44	K44-S48 PolarHBondContact NZ-O 3.5Å
49	D	97	Very high	96.8	Very high	127 Å²	127	91 Å²	91	68%	0.679	48%	0.478	S	S	*	.	S	Bend	trans	-85.9	-20	-177.6	61.5	-42	0	0	0	113.8	H47	H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.11Å
50	L	96.5	Very high	96.9	Very high	81 Å²	81	93.6 Å²	93.6	42%	0.424	49%	0.49	S	S	.	.			trans	-83.9	148.2	-178.4	-63	-176.5	0	0	0	113.1	L43 K44 H47	L43-L50 HydrophobicContact CD1-CB 4.42Å; K44-L50 PolarHBondContact NZ-O 3.23Å; H47-L50 HydrophobicContact CB-CB 3.98Å; H47-L50 HydrophobicContact CB-CD1 3.6Å; H47-L50 HydrophobicContact CB-CG 3.79Å; H47-L50 PolarHBondContact O-N 2.96Å
51	E	95.9	Very high	96.9	Very high	164 Å²	164	90.1 Å²	90.1	77%	0.766	48%	0.479	S	S	*	.			trans	-118.8	163.6	171	-61.3	-165.9	154.5	0	0	110.8
52	I	96.9	Very high	96.9	Very high	50 Å²	50	87.1 Å²	87.1	26%	0.256	48%	0.475	S	S	.	.			trans	-127.1	130.8	-178	-173.7	170.6	0	0	0	110	Y40 L43 A56 M57 M60	Y40-I52 HydrophobicContact CD2-CG2 4.21Å; L43-I52 HydrophobicContact CD2-CB 3.88Å; L43-I52 HydrophobicContact CD2-CG2 3.86Å; I52-A56 HydrophobicContact CD1-CB 4.1Å; I52-A56 HydrophobicContact CG1-CB 3.64Å; I52-M57 HydrophobicContact CD1-CB 4.49Å; I52-M57 HydrophobicContact CD1-CE 4.37Å; I52-M57 HydrophobicContact CG2-CE 3.51Å; I52-M60 HydrophobicContact CD1-CG 4.19Å
53	S	97.5	Very high	96.9	Very high	72 Å²	72	88.9 Å²	88.9	50%	0.503	48%	0.476	S	S	.	.			trans	-68.6	159.2	177.9	74.4	0	0	0	0	111.7	M55 A56 M57	S53-M55 VanDerWaalsContact C-N 3.28Å; S53-M55 PolarHBondContact O-N 3.42Å; S53-A56 PolarHBondContact O-N 3.03Å; S53-A56 WeakPolarHBondContact OG-CB 3.45Å; S53-A56 PolarHBondContact OG-N 3.43Å; S53-A56 VanDerWaalsContact OG-N 3.16Å; S53-M57 WeakPolarHBondContact O-CB 3.32Å; S53-M57 PolarHBondContact O-N 2.9Å
54	S	96	Very high	96.9	Very high	108 Å²	108	89.3 Å²	89.3	76%	0.755	48%	0.48	S	S	*	.	H	α-helix	trans	-61.4	-36.2	177.2	57.9	0	0	0	0	112.7	S58	S54-S58 PolarHBondContact O-N 3.47Å
55	M	97.3	Very high	96.9	Very high	141 Å²	141	87.8 Å²	87.8	70%	0.695	48%	0.482	S	S	*	.	H	α-helix	trans	-66.1	-48.7	175.6	-174.3	-178.5	-71.8	0	0	111.1	S53 M57 S58 I59	S53-M55 VanDerWaalsContact C-N 3.28Å; S53-M55 PolarHBondContact O-N 3.42Å; M55-M57 VanDerWaalsContact C-N 3.31Å; M55-M57 PolarHBondContact O-N 2.96Å; M55-S58 WeakPolarHBondContact O-CB 3.42Å; M55-S58 PolarHBondContact O-N 2.91Å; M55-S58 VanDerWaalsContact O-N 3.1Å; M55-I59 HydrophobicContact CG-CD1 4.44Å; M55-I59 WeakPolarHBondContact O-CG1 3.36Å; M55-I59 PolarHBondContact O-N 2.9Å
56	A	97.9	Very high	96.9	Very high	32 Å²	32	85 Å²	85	26%	0.264	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-39.4	176.9	0	0	0	0	0	111.7	I52 S53 S58 I59 M60	I52-A56 HydrophobicContact CD1-CB 4.1Å; I52-A56 HydrophobicContact CG1-CB 3.64Å; S53-A56 PolarHBondContact O-N 3.03Å; S53-A56 WeakPolarHBondContact OG-CB 3.45Å; S53-A56 PolarHBondContact OG-N 3.43Å; S53-A56 VanDerWaalsContact OG-N 3.16Å; A56-S58 VanDerWaalsContact C-N 3.3Å; A56-S58 PolarHBondContact O-N 3.23Å; A56-I59 PolarHBondContact O-N 3.47Å; A56-M60 WeakPolarHBondContact O-CG 3.32Å; A56-M60 PolarHBondContact O-N 2.95Å
57	M	97	Very high	97	Very high	26 Å²	26	79 Å²	79	13%	0.128	45%	0.449	C	S	.	.	H	α-helix	trans	-60	-39.6	173.7	-176.5	60.4	76.4	0	0	112.2	S36 I39 I52 S53 M55 N61	S36-M57 VanDerWaalsContact CA-SD 3.53Å; S36-M57 WeakPolarHBondContact OG-CG 3.24Å; I39-M57 HydrophobicContact CB-CE 4.49Å; I39-M57 HydrophobicContact CB-SD 3.96Å; I39-M57 HydrophobicContact CD1-SD 4.17Å; I39-M57 HydrophobicContact CG2-CE 4.22Å; I39-M57 HydrophobicContact CG2-SD 3.84Å; I52-M57 HydrophobicContact CD1-CB 4.49Å; I52-M57 HydrophobicContact CD1-CE 4.37Å; I52-M57 HydrophobicContact CG2-CE 3.51Å; S53-M57 WeakPolarHBondContact O-CB 3.32Å; S53-M57 PolarHBondContact O-N 2.9Å; M55-M57 VanDerWaalsContact C-N 3.31Å; M55-M57 PolarHBondContact O-N 2.96Å; M57-N61 WeakPolarHBondContact O-CB 3.48Å; M57-N61 PolarHBondContact O-N 2.93Å
58	S	96.4	Very high	97.1	Very high	72 Å²	72	80.8 Å²	80.8	50%	0.503	46%	0.455	S	S	.	.	H	α-helix	trans	-65.9	-41.5	175.6	-170.8	0	0	0	0	112	S54 M55 A56 N61 S62	S54-S58 PolarHBondContact O-N 3.47Å; M55-S58 WeakPolarHBondContact O-CB 3.42Å; M55-S58 PolarHBondContact O-N 2.91Å; M55-S58 VanDerWaalsContact O-N 3.1Å; A56-S58 VanDerWaalsContact C-N 3.3Å; A56-S58 PolarHBondContact O-N 3.23Å; S58-N61 PolarHBondContact O-N 3.42Å; S58-S62 PolarHBondContact O-N 2.91Å; S58-S62 PolarHBondContact O-OG 3.01Å
59	I	97.8	Very high	97.1	Very high	107 Å²	107	81.1 Å²	81.1	55%	0.549	45%	0.45	S	S	.	.	H	α-helix	trans	-61.6	-48.5	176.2	-65.5	167.7	0	0	0	109.9	M55 A56 N61 S62 F63	M55-I59 HydrophobicContact CG-CD1 4.44Å; M55-I59 WeakPolarHBondContact O-CG1 3.36Å; M55-I59 PolarHBondContact O-N 2.9Å; A56-I59 PolarHBondContact O-N 3.47Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.43Å; I59-S62 PolarHBondContact O-N 3.19Å; I59-F63 WeakPolarHBondContact O-CB 3.49Å; I59-F63 PolarHBondContact O-N 3.27Å
60	M	97.7	Very high	97.2	Very high	75 Å²	75	81.5 Å²	81.5	37%	0.369	44%	0.442	S	S	.	.	H	α-helix	trans	-62.7	-39.3	179	-70.2	-58.4	-65.2	0	0	112.5	I39 I52 A56 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.9Å; I39-M60 HydrophobicContact CG2-CB 4.05Å; I39-M60 HydrophobicContact CG2-CG 4.48Å; I52-M60 HydrophobicContact CD1-CG 4.19Å; A56-M60 WeakPolarHBondContact O-CG 3.32Å; A56-M60 PolarHBondContact O-N 2.95Å; M60-F63 HydrophobicContact CE-CD1 4.39Å; M60-F63 PolarHBondContact O-N 3.11Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.17Å
61	N	96.9	Very high	97.3	Very high	30 Å²	30	79.2 Å²	79.2	16%	0.16	43%	0.43	C	S	.	.	H	α-helix	trans	-63	-42.8	175.6	-178.6	79.2	0	0	0	112	S34 F35 I39 M57 S58 I59 G65	S34-N61 WeakPolarHBondContact CA-OD1 3.49Å; S34-N61 PolarHBondContact OG-OD1 2.94Å; S34-N61 VanDerWaalsContact OG-OD1 3.08Å; F35-N61 PolarHBondContact N-OD1 2.88Å; I39-N61 HydrophobicContact CD1-CB 4.25Å; M57-N61 WeakPolarHBondContact O-CB 3.48Å; M57-N61 PolarHBondContact O-N 2.93Å; S58-N61 PolarHBondContact O-N 3.42Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.43Å; N61-G65 PolarHBondContact O-N 2.76Å; N61-G65 VanDerWaalsContact O-N 3.14Å
62	S	97.1	Very high	97.4	Very high	73 Å²	73	73 Å²	73	51%	0.51	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-38.7	175.1	-64	0	0	0	0	112.1	S58 I59 G65 D66	S58-S62 PolarHBondContact O-N 2.91Å; S58-S62 PolarHBondContact O-OG 3.01Å; I59-S62 PolarHBondContact O-N 3.19Å; S62-G65 PolarHBondContact O-N 3.39Å; S62-D66 PolarHBondContact O-N 2.9Å
63	F	97.9	Very high	97.4	Very high	119 Å²	119	72.5 Å²	72.5	52%	0.522	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-47.5	175.7	172.8	-110.2	0	0	0	111.9	I59 M60 G65 D66 V67	I59-F63 WeakPolarHBondContact O-CB 3.49Å; I59-F63 PolarHBondContact O-N 3.27Å; M60-F63 HydrophobicContact CE-CD1 4.39Å; M60-F63 PolarHBondContact O-N 3.11Å; F63-G65 VanDerWaalsContact C-N 3.28Å; F63-G65 PolarHBondContact O-N 2.92Å; F63-D66 PolarHBondContact O-N 3.43Å; F63-V67 HydrophobicContact CD2-CG2 4.08Å; F63-V67 HydrophobicContact CE1-CG2 4.37Å; F63-V67 HydrophobicContact CE2-CG2 3.62Å; F63-V67 HydrophobicContact CZ-CG2 3.79Å; F63-V67 WeakPolarHBondContact O-CG2 3.38Å; F63-V67 PolarHBondContact O-N 2.85Å
64	V	97.5	Very high	97.5	Very high	46 Å²	46	70.8 Å²	70.8	28%	0.279	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-40.9	175.8	175.6	0	0	0	0	110.9	F35 I39 M60 F68	F35-V64 HydrophobicContact CB-CG1 4.33Å; F35-V64 HydrophobicContact CD1-CG1 3.94Å; F35-V64 HydrophobicContact CD2-CB 3.95Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.1Å; F35-V64 HydrophobicContact CE2-CB 4.4Å; F35-V64 HydrophobicContact CE2-CG1 3.72Å; F35-V64 HydrophobicContact CG-CB 4.25Å; F35-V64 HydrophobicContact CG-CG1 3.67Å; F35-V64 HydrophobicContact CZ-CG1 4Å; I39-V64 HydrophobicContact CD1-CG2 4.38Å; I39-V64 HydrophobicContact CG1-CG2 4.5Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.17Å; V64-F68 VanDerWaalsContact O-CB 3.23Å; V64-F68 WeakPolarHBondContact O-CB 3.31Å; V64-F68 PolarHBondContact O-N 3.36Å
65	G	96.7	Very high	97.6	Very high	30 Å²	30	65.6 Å²	65.6	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-46	176.2	0	0	0	0	0	113.6	N61 S62 F63 F68 D69	N61-G65 PolarHBondContact O-N 2.76Å; N61-G65 VanDerWaalsContact O-N 3.14Å; S62-G65 PolarHBondContact O-N 3.39Å; F63-G65 VanDerWaalsContact C-N 3.28Å; F63-G65 PolarHBondContact O-N 2.92Å; G65-F68 PolarHBondContact O-N 2.87Å; G65-D69 WeakPolarHBondContact O-CB 3.36Å; G65-D69 PolarHBondContact O-N 3.49Å
66	D	97.5	Very high	97.6	Very high	73 Å²	73	61 Å²	61	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-46.9	178.9	-175.4	19.3	0	0	0	111.4	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 2.9Å; F63-D66 PolarHBondContact O-N 3.43Å; D66-F68 VanDerWaalsContact C-N 3.35Å; D66-F68 PolarHBondContact O-N 2.99Å; D66-D69 PolarHBondContact O-N 3.49Å; D66-R70 WeakPolarHBondContact O-CB 3.29Å; D66-R70 VanDerWaalsContact O-CG 3.26Å; D66-R70 WeakPolarHBondContact O-CG 3.25Å; D66-R70 PolarHBondContact O-N 3.49Å; D66-R70 IonicContact OD1-CZ 3.44Å; D66-R70 IonicContact OD1-NE 3.32Å; D66-R70 PolarHBondContact OD1-NE 3.45Å; D66-R70 IonicContact OD1-NH2 3.3Å; D66-R70 PolarHBondContact OD1-NH2 3.45Å; D66-R70 IonicContact OD2-CZ 3.36Å; D66-R70 IonicContact OD2-NE 3.42Å; D66-R70 PolarHBondContact OD2-NE 2.91Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 3.49Å
67	V	97.3	Very high	97.6	Very high	43 Å²	43	64.9 Å²	64.9	26%	0.261	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-41.4	177	175.1	0	0	0	0	111.4	F63 I71	F63-V67 HydrophobicContact CD2-CG2 4.08Å; F63-V67 HydrophobicContact CE1-CG2 4.37Å; F63-V67 HydrophobicContact CE2-CG2 3.62Å; F63-V67 HydrophobicContact CZ-CG2 3.79Å; F63-V67 WeakPolarHBondContact O-CG2 3.38Å; F63-V67 PolarHBondContact O-N 2.85Å; V67-I71 HydrophobicContact CG1-CD1 3.71Å; V67-I71 HydrophobicContact CG1-CG1 4.42Å; V67-I71 VanDerWaalsContact O-CG1 3.3Å; V67-I71 WeakPolarHBondContact O-CG1 3.44Å; V67-I71 PolarHBondContact O-N 3.22Å
68	F	97.5	Very high	97.6	Very high	134 Å²	134	65.5 Å²	65.5	59%	0.588	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-49.6	176.5	178.1	-87.3	0	0	0	111.6	V64 G65 D66 R70 I71 A72	V64-F68 VanDerWaalsContact O-CB 3.23Å; V64-F68 WeakPolarHBondContact O-CB 3.31Å; V64-F68 PolarHBondContact O-N 3.36Å; G65-F68 PolarHBondContact O-N 2.87Å; D66-F68 VanDerWaalsContact C-N 3.35Å; D66-F68 PolarHBondContact O-N 2.99Å; F68-R70 PolarHBondContact O-N 2.87Å; F68-I71 PolarHBondContact O-N 3.02Å; F68-A72 HydrophobicContact CE1-CB 4.38Å; F68-A72 VanDerWaalsContact O-CB 3.31Å; F68-A72 WeakPolarHBondContact O-CB 3.49Å; F68-A72 PolarHBondContact O-N 2.72Å
69	D	97.6	Very high	97.7	Very high	100 Å²	100	62.3 Å²	62.3	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-39.8	-177.5	-168.2	44.9	0	0	0	111.8	G65 D66 A72 S73	G65-D69 WeakPolarHBondContact O-CB 3.36Å; G65-D69 PolarHBondContact O-N 3.49Å; D66-D69 PolarHBondContact O-N 3.49Å; D69-A72 PolarHBondContact O-N 3.17Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.28Å; D69-S73 PolarHBondContact O-OG 3.36Å
70	R	98.2	Very high	97.6	Very high	136 Å²	136	63.4 Å²	63.4	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-49	173.8	-71	177.1	-166.7	-156	7.6	111.9	D66 F68 S73 E74 L99	D66-R70 WeakPolarHBondContact O-CB 3.29Å; D66-R70 VanDerWaalsContact O-CG 3.26Å; D66-R70 WeakPolarHBondContact O-CG 3.25Å; D66-R70 PolarHBondContact O-N 3.49Å; D66-R70 IonicContact OD1-CZ 3.44Å; D66-R70 IonicContact OD1-NE 3.32Å; D66-R70 PolarHBondContact OD1-NE 3.45Å; D66-R70 IonicContact OD1-NH2 3.3Å; D66-R70 PolarHBondContact OD1-NH2 3.45Å; D66-R70 IonicContact OD2-CZ 3.36Å; D66-R70 IonicContact OD2-NE 3.42Å; D66-R70 PolarHBondContact OD2-NE 2.91Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 3.49Å; F68-R70 PolarHBondContact O-N 2.87Å; R70-S73 PolarHBondContact O-N 3.14Å; R70-E74 WeakPolarHBondContact O-CB 3.37Å; R70-E74 PolarHBondContact O-N 3.5Å; R70-L99 VanDerWaalsContact C-CD1 3.47Å; R70-L99 HydrophobicContact CB-CD1 3.93Å; R70-L99 HydrophobicContact CB-CD2 4.21Å; R70-L99 WeakPolarHBondContact O-CD1 3.39Å
71	I	98.2	Very high	97.6	Very high	33 Å²	33	67.2 Å²	67.2	17%	0.169	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-46.2	179.6	-67.5	168	0	0	0	110.6	V67 F68 S73 E74 A75 I92 A95 V96 L99	V67-I71 HydrophobicContact CG1-CD1 3.71Å; V67-I71 HydrophobicContact CG1-CG1 4.42Å; V67-I71 VanDerWaalsContact O-CG1 3.3Å; V67-I71 WeakPolarHBondContact O-CG1 3.44Å; V67-I71 PolarHBondContact O-N 3.22Å; F68-I71 PolarHBondContact O-N 3.02Å; I71-S73 PolarHBondContact O-N 3.48Å; I71-E74 PolarHBondContact O-N 3.41Å; I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 2.94Å; I71-I92 HydrophobicContact CG2-CD1 4.31Å; I71-I92 HydrophobicContact CG2-CG2 4.24Å; I71-A95 HydrophobicContact CG2-CB 4.28Å; I71-V96 HydrophobicContact CD1-CG2 4.05Å; I71-V96 HydrophobicContact CG1-CG2 4.38Å; I71-V96 HydrophobicContact CG2-CG2 4.35Å; I71-L99 VanDerWaalsContact CA-CD1 3.49Å; I71-L99 HydrophobicContact CB-CD1 4.18Å; I71-L99 HydrophobicContact CG1-CD1 3.63Å
72	A	98	Very high	97.4	Very high	32 Å²	32	69 Å²	69	26%	0.264	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-43.5	-180	0	0	0	0	0	111.8	F68 D69 A75 S76	F68-A72 HydrophobicContact CE1-CB 4.38Å; F68-A72 VanDerWaalsContact O-CB 3.31Å; F68-A72 WeakPolarHBondContact O-CB 3.49Å; F68-A72 PolarHBondContact O-N 2.72Å; D69-A72 PolarHBondContact O-N 3.17Å; A72-A75 PolarHBondContact O-N 3.27Å; A72-S76 VanDerWaalsContact O-CB 3.29Å; A72-S76 WeakPolarHBondContact O-CB 3.35Å; A72-S76 PolarHBondContact O-N 3Å
73	S	98.2	Very high	97.4	Very high	41 Å²	41	74.6 Å²	74.6	29%	0.287	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-45	176.6	-69.4	0	0	0	0	112.1	D69 R70 I71 S76 R77	D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.28Å; D69-S73 PolarHBondContact O-OG 3.36Å; R70-S73 PolarHBondContact O-N 3.14Å; I71-S73 PolarHBondContact O-N 3.48Å; S73-S76 PolarHBondContact O-N 3.15Å; S73-R77 WeakPolarHBondContact O-CG 3.46Å; S73-R77 PolarHBondContact O-N 3.42Å
74	E	98.2	Very high	97.2	Very high	35 Å²	35	74.8 Å²	74.8	16%	0.164	37%	0.373	C	S	.	.	H	α-helix	trans	-69.4	-41	179	-169.3	59.5	-152.2	0	0	112	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.37Å; R70-E74 PolarHBondContact O-N 3.5Å; I71-E74 PolarHBondContact O-N 3.41Å; E74-S76 VanDerWaalsContact C-N 3.32Å; E74-S76 PolarHBondContact O-N 3.41Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 2.99Å; E74-R77 IonicContact OE2-CZ 2.78Å; E74-R77 IonicContact OE2-NE 3.19Å; E74-R77 PolarHBondContact OE2-NE 3.14Å; E74-R77 IonicContact OE2-NH2 3.5Å; E74-R77 PolarHBondContact OE2-NH2 3.2Å; E74-L78 HydrophobicContact CG-CD1 4.48Å; E74-L78 WeakPolarHBondContact O-CG 3.34Å; E74-L78 PolarHBondContact O-N 3.09Å; E74-A95 HydrophobicContact CB-CB 3.81Å; E74-A95 HydrophobicContact CG-CB 3.87Å; E74-L98 HydrophobicContact CG-CB 4.45Å; E74-L98 HydrophobicContact CG-CD1 4.02Å; E74-L98 VanDerWaalsContact OE1-CD1 3.32Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.3Å; E74-L99 HydrophobicContact CB-CD1 4.15Å
75	A	98.2	Very high	97.1	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-37.2	175.6	0	0	0	0	0	112.1	I71 A72 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.49Å; I71-A75 PolarHBondContact O-N 2.94Å; A72-A75 PolarHBondContact O-N 3.27Å; A75-L78 PolarHBondContact O-N 3.39Å; A75-A79 WeakPolarHBondContact O-CB 3.25Å; A75-A79 PolarHBondContact O-N 2.98Å; A75-I87 HydrophobicContact CB-CG2 3.85Å; A75-E91 HydrophobicContact CB-CB 4.3Å; A75-I92 HydrophobicContact CB-CD1 3.67Å; A75-I92 HydrophobicContact CB-CG1 4.47Å; A75-A95 HydrophobicContact CB-CB 4.05Å
76	S	97.8	Very high	97.1	Very high	43 Å²	43	85.7 Å²	85.7	30%	0.301	42%	0.419	S	S	.	.	H	α-helix	trans	-62.2	-45.8	172.5	-177.7	0	0	0	0	111.4	A72 S73 E74 L78 A79 Q80	A72-S76 VanDerWaalsContact O-CB 3.29Å; A72-S76 WeakPolarHBondContact O-CB 3.35Å; A72-S76 PolarHBondContact O-N 3Å; S73-S76 PolarHBondContact O-N 3.15Å; E74-S76 VanDerWaalsContact C-N 3.32Å; E74-S76 PolarHBondContact O-N 3.41Å; S76-L78 PolarHBondContact O-N 2.95Å; S76-A79 PolarHBondContact O-N 3.01Å; S76-Q80 VanDerWaalsContact O-CG 3.32Å; S76-Q80 WeakPolarHBondContact O-CG 3.28Å; S76-Q80 PolarHBondContact O-N 2.78Å; S76-Q80 PolarHBondContact OG-NE2 3.25Å
77	R	97.7	Very high	97.1	Very high	114 Å²	114	86 Å²	86	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-56.9	-48.6	173	-75.8	-173.9	-76	-91.7	3.7	111	S73 E74 A79 Q80 H81	S73-R77 WeakPolarHBondContact O-CG 3.46Å; S73-R77 PolarHBondContact O-N 3.42Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 2.99Å; E74-R77 IonicContact OE2-CZ 2.78Å; E74-R77 IonicContact OE2-NE 3.19Å; E74-R77 PolarHBondContact OE2-NE 3.14Å; E74-R77 IonicContact OE2-NH2 3.5Å; E74-R77 PolarHBondContact OE2-NH2 3.2Å; R77-A79 PolarHBondContact O-N 2.72Å; R77-Q80 PolarHBondContact O-N 3.02Å; R77-H81 PolarHBondContact O-N 3.1Å; R77-H81 PolarHBondContact O-ND1 3.47Å
78	L	97.8	Very high	97	Very high	40 Å²	40	85.3 Å²	85.3	21%	0.209	42%	0.422	C	S	.	.	H	α-helix	trans	-62.1	-39.2	-179.7	-70.1	169.6	0	0	0	113.3	E74 A75 S76 H81 S82 E91 A94 A95 L98	E74-L78 HydrophobicContact CG-CD1 4.48Å; E74-L78 WeakPolarHBondContact O-CG 3.34Å; E74-L78 PolarHBondContact O-N 3.09Å; A75-L78 PolarHBondContact O-N 3.39Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-H81 PolarHBondContact O-N 3.05Å; L78-S82 WeakPolarHBondContact O-CB 3.46Å; L78-S82 PolarHBondContact O-N 3.43Å; L78-S82 VanDerWaalsContact O-N 3.11Å; L78-S82 PolarHBondContact O-OG 3.5Å; L78-E91 HydrophobicContact CB-CB 4.34Å; L78-E91 HydrophobicContact CB-CG 4.23Å; L78-E91 WeakPolarHBondContact CD1-O 3.46Å; L78-A94 HydrophobicContact CD1-CB 3.64Å; L78-A95 HydrophobicContact CD1-CB 4.16Å; L78-L98 HydrophobicContact CD1-CD1 4.27Å; L78-L98 HydrophobicContact CD2-CD1 4.32Å
79	A	97.6	Very high	96.9	Very high	4 Å²	4	81.4 Å²	81.4	3%	0.033	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-44	175.1	0	0	0	0	0	111.5	A75 S76 R77 S82 K83 R84 I87 E91	A75-A79 WeakPolarHBondContact O-CB 3.25Å; A75-A79 PolarHBondContact O-N 2.98Å; S76-A79 PolarHBondContact O-N 3.01Å; R77-A79 PolarHBondContact O-N 2.72Å; A79-S82 CarbonylContact O-C 3.56Å; A79-S82 PolarHBondContact O-N 3.13Å; A79-K83 PolarHBondContact O-N 3.5Å; A79-R84 PolarHBondContact O-N 2.9Å; A79-I87 HydrophobicContact CB-CG1 4.03Å; A79-E91 HydrophobicContact CB-CG 4.19Å
80	Q	96.8	Very high	96.8	Very high	131 Å²	131	85.2 Å²	85.2	61%	0.612	42%	0.422	S	S	*	.	H	α-helix	trans	-63.6	-44.3	177.3	-69.9	175	33.5	0	0	112.2	S76 R77 S82 K83	S76-Q80 VanDerWaalsContact O-CG 3.32Å; S76-Q80 WeakPolarHBondContact O-CG 3.28Å; S76-Q80 PolarHBondContact O-N 2.78Å; S76-Q80 PolarHBondContact OG-NE2 3.25Å; R77-Q80 PolarHBondContact O-N 3.02Å; Q80-S82 PolarHBondContact O-N 3.02Å; Q80-K83 PolarHBondContact O-N 3.46Å
81	H	96	Very high	96.8	Very high	154 Å²	154	79.2 Å²	79.2	71%	0.713	40%	0.399	S	S	*	.	H	α-helix	trans	-60.2	-32.9	175.1	-74.4	89.2	0	0	0	112.1	R77 L78 K83	R77-H81 PolarHBondContact O-N 3.1Å; R77-H81 PolarHBondContact O-ND1 3.47Å; L78-H81 PolarHBondContact O-N 3.05Å; H81-K83 VanDerWaalsContact C-N 3.26Å; H81-K83 PolarHBondContact O-N 3.1Å
82	S	94.6	Very high	96.7	Very high	67 Å²	67	80.8 Å²	80.8	47%	0.469	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.2	177.1	-54	0	0	0	0	113.6	L78 A79 Q80 R84	L78-S82 WeakPolarHBondContact O-CB 3.46Å; L78-S82 PolarHBondContact O-N 3.43Å; L78-S82 VanDerWaalsContact O-N 3.11Å; L78-S82 PolarHBondContact O-OG 3.5Å; A79-S82 CarbonylContact O-C 3.56Å; A79-S82 PolarHBondContact O-N 3.13Å; Q80-S82 PolarHBondContact O-N 3.02Å; S82-R84 PolarHBondContact O-N 2.91Å
83	K	95.7	Very high	96.7	Very high	191 Å²	191	81.8 Å²	81.8	83%	0.83	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	35.3	-174.9	-55.6	179.3	-176.9	178.7	0	113.2	A79 Q80 H81	A79-K83 PolarHBondContact O-N 3.5Å; Q80-K83 PolarHBondContact O-N 3.46Å; H81-K83 VanDerWaalsContact C-N 3.26Å; H81-K83 PolarHBondContact O-N 3.1Å
84	R	94.6	Very high	96.7	Very high	124 Å²	124	81.3 Å²	81.3	47%	0.468	41%	0.405	S	S	.	.			trans	-105.8	143.6	177.4	-68.3	-178.5	177.1	173.2	-7.5	110.7	A79 S82 E91	A79-R84 PolarHBondContact O-N 2.9Å; S82-R84 PolarHBondContact O-N 2.91Å; R84-E91 IonicContact CZ-OE1 3.45Å; R84-E91 IonicContact NH1-OE1 2.63Å; R84-E91 PolarHBondContact NH1-OE1 3.19Å
85	H	94.8	Very high	96.7	Very high	195 Å²	195	79.6 Å²	79.6	90%	0.903	40%	0.397	S	S	*	.	S	Bend	trans	-94.9	1.4	174.5	-62.1	-71.8	0	0	0	113.3
86	T	96.8	Very high	96.6	Very high	109 Å²	109	80.3 Å²	80.3	67%	0.669	40%	0.402	S	S	*	.	S	Bend	trans	-128.5	129	-177.1	-51.2	0	0	0	0	109.4
87	I	97.2	Very high	96.6	Very high	79 Å²	79	84.8 Å²	84.8	41%	0.405	41%	0.412	S	S	.	.			trans	-83.5	115	172.4	-60	174.1	0	0	0	107.7	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.85Å; A79-I87 HydrophobicContact CB-CG1 4.03Å; I87-E91 HydrophobicContact CG2-CB 4.14Å; I87-I92 HydrophobicContact CG2-CD1 3.85Å; I87-I92 HydrophobicContact CG2-CG1 4.02Å
88	G	96.1	Very high	96.6	Very high	30 Å²	30	84.6 Å²	84.6	31%	0.309	42%	0.419	S	S	.	.			trans	-99.3	179.4	175.7	0	0	0	0	0	112.8	R90 E91 I92	G88-R90 PolarHBondContact O-N 2.88Å; G88-E91 VanDerWaalsContact CA-OE2 3.25Å; G88-E91 WeakPolarHBondContact CA-OE2 3.42Å; G88-E91 PolarHBondContact N-OE2 2.82Å; G88-E91 PolarHBondContact O-N 2.78Å; G88-I92 WeakPolarHBondContact O-CG1 3.47Å; G88-I92 PolarHBondContact O-N 3.08Å
89	A	95.6	Very high	96.6	Very high	52 Å²	52	85.9 Å²	85.9	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-59.1	-31.4	175.6	0	0	0	0	0	112.3	I92 Q93	A89-I92 PolarHBondContact O-N 3.4Å; A89-Q93 WeakPolarHBondContact O-CB 3.48Å; A89-Q93 VanDerWaalsContact O-CG 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.49Å; A89-Q93 PolarHBondContact O-N 2.97Å
90	R	95.3	Very high	96.6	Very high	180 Å²	180	87.8 Å²	87.8	68%	0.679	44%	0.435	S	S	*	.	H	α-helix	trans	-63.6	-46.3	178.6	-177.3	178.3	175.2	176.7	-3.6	111.9	G88 I92 Q93 A94	G88-R90 PolarHBondContact O-N 2.88Å; R90-I92 VanDerWaalsContact C-N 3.35Å; R90-Q93 PolarHBondContact O-N 2.99Å; R90-A94 WeakPolarHBondContact O-CB 3.39Å; R90-A94 PolarHBondContact O-N 2.95Å
91	E	96.8	Very high	96.6	Very high	9 Å²	9	86.1 Å²	86.1	4%	0.042	44%	0.436	C	S	.	.	H	α-helix	trans	-66.2	-39	179.2	-68.2	74.1	-158.8	0	0	111	A75 L78 A79 R84 I87 G88 A94 A95	A75-E91 HydrophobicContact CB-CB 4.3Å; L78-E91 HydrophobicContact CB-CB 4.34Å; L78-E91 HydrophobicContact CB-CG 4.23Å; L78-E91 WeakPolarHBondContact CD1-O 3.46Å; A79-E91 HydrophobicContact CB-CG 4.19Å; R84-E91 IonicContact CZ-OE1 3.45Å; R84-E91 IonicContact NH1-OE1 2.63Å; R84-E91 PolarHBondContact NH1-OE1 3.19Å; I87-E91 HydrophobicContact CG2-CB 4.14Å; G88-E91 VanDerWaalsContact CA-OE2 3.25Å; G88-E91 WeakPolarHBondContact CA-OE2 3.42Å; G88-E91 PolarHBondContact N-OE2 2.82Å; G88-E91 PolarHBondContact O-N 2.78Å; E91-A94 PolarHBondContact O-N 3.43Å; E91-A95 VanDerWaalsContact O-CB 3.32Å; E91-A95 WeakPolarHBondContact O-CB 3.07Å; E91-A95 PolarHBondContact O-N 3.39Å
92	I	97.9	Very high	96.6	Very high	67 Å²	67	81 Å²	81	34%	0.344	42%	0.424	S	S	.	.	H	α-helix	trans	-63.3	-48.3	174	-60.2	-68.4	0	0	0	111.3	I71 A75 I87 G88 A89 R90 A94 A95 V96	I71-I92 HydrophobicContact CG2-CD1 4.31Å; I71-I92 HydrophobicContact CG2-CG2 4.24Å; A75-I92 HydrophobicContact CB-CD1 3.67Å; A75-I92 HydrophobicContact CB-CG1 4.47Å; I87-I92 HydrophobicContact CG2-CD1 3.85Å; I87-I92 HydrophobicContact CG2-CG1 4.02Å; G88-I92 WeakPolarHBondContact O-CG1 3.47Å; G88-I92 PolarHBondContact O-N 3.08Å; A89-I92 PolarHBondContact O-N 3.4Å; R90-I92 VanDerWaalsContact C-N 3.35Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.31Å; I92-A95 WeakPolarHBondContact O-CB 3.4Å; I92-A95 PolarHBondContact O-N 3.03Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.47Å; I92-V96 PolarHBondContact O-N 3.47Å
93	Q	97.1	Very high	96.7	Very high	52 Å²	52	82.9 Å²	82.9	24%	0.243	43%	0.425	C	S	.	.	H	α-helix	trans	-62.4	-39.3	178.8	-74	176.2	6.8	0	0	112.4	A89 R90 R97 V109 T113	A89-Q93 WeakPolarHBondContact O-CB 3.48Å; A89-Q93 VanDerWaalsContact O-CG 3.24Å; A89-Q93 WeakPolarHBondContact O-CG 3.49Å; A89-Q93 PolarHBondContact O-N 2.97Å; R90-Q93 PolarHBondContact O-N 2.99Å; Q93-R97 WeakPolarHBondContact O-CG 3.23Å; Q93-R97 PolarHBondContact O-N 2.84Å; Q93-V109 HydrophobicContact CG-CG1 4.38Å; Q93-T113 PolarHBondContact NE2-OG1 3.42Å
94	A	97.5	Very high	96.8	Very high	31 Å²	31	78.5 Å²	78.5	26%	0.256	41%	0.411	S	S	.	.	H	α-helix	trans	-66.7	-44	175.4	0	0	0	0	0	111.5	L78 R90 E91 I92 V96 R97 L98	L78-A94 HydrophobicContact CD1-CB 3.64Å; R90-A94 WeakPolarHBondContact O-CB 3.39Å; R90-A94 PolarHBondContact O-N 2.95Å; E91-A94 PolarHBondContact O-N 3.43Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.31Å; A94-V96 VanDerWaalsContact C-N 3.32Å; A94-V96 PolarHBondContact O-N 3.4Å; A94-R97 PolarHBondContact O-N 3.32Å; A94-R97 VanDerWaalsContact O-N 3.14Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 3.36Å; A94-L98 VanDerWaalsContact O-N 3.09Å
95	A	98	Very high	96.9	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-57.2	-43.8	174.3	0	0	0	0	0	112.3	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.28Å; E74-A95 HydrophobicContact CB-CB 3.81Å; E74-A95 HydrophobicContact CG-CB 3.87Å; A75-A95 HydrophobicContact CB-CB 4.05Å; L78-A95 HydrophobicContact CD1-CB 4.16Å; E91-A95 VanDerWaalsContact O-CB 3.32Å; E91-A95 WeakPolarHBondContact O-CB 3.07Å; E91-A95 PolarHBondContact O-N 3.39Å; I92-A95 WeakPolarHBondContact O-CB 3.4Å; I92-A95 PolarHBondContact O-N 3.03Å; A95-R97 VanDerWaalsContact C-N 3.32Å; A95-R97 PolarHBondContact O-N 2.69Å; A95-L98 PolarHBondContact O-N 2.84Å; A95-L98 VanDerWaalsContact O-N 3.15Å; A95-L99 WeakPolarHBondContact O-CB 3.3Å; A95-L99 WeakPolarHBondContact O-CG 3.16Å; A95-L99 PolarHBondContact O-N 2.81Å
96	V	98.2	Very high	97	Very high	15 Å²	15	71 Å²	71	9%	0.091	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-41.3	176.4	170.2	0	0	0	0	111.8	I71 I92 A94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 4.05Å; I71-V96 HydrophobicContact CG1-CG2 4.38Å; I71-V96 HydrophobicContact CG2-CG2 4.35Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.47Å; I92-V96 PolarHBondContact O-N 3.47Å; A94-V96 VanDerWaalsContact C-N 3.32Å; A94-V96 PolarHBondContact O-N 3.4Å; V96-L98 VanDerWaalsContact C-N 3.3Å; V96-L98 PolarHBondContact O-N 3.01Å; V96-L99 PolarHBondContact O-N 3.24Å; V96-L100 HydrophobicContact CG1-CD1 3.85Å; V96-L100 HydrophobicContact CG1-CG 4.41Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 PolarHBondContact O-N 2.93Å; V96-A108 HydrophobicContact CG1-CB 3.62Å; V96-V109 HydrophobicContact CB-CG2 4.44Å; V96-V109 HydrophobicContact CG1-CG2 4.04Å
97	R	97.1	Very high	97.1	Very high	136 Å²	136	71.1 Å²	71.1	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-67.3	-28.7	176.8	-70.1	-179.3	-175.4	108.4	-8.2	113.3	Q93 A94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.23Å; Q93-R97 PolarHBondContact O-N 2.84Å; A94-R97 PolarHBondContact O-N 3.32Å; A94-R97 VanDerWaalsContact O-N 3.14Å; A95-R97 VanDerWaalsContact C-N 3.32Å; A95-R97 PolarHBondContact O-N 2.69Å; R97-V109 HydrophobicContact CG-CG2 3.93Å
98	L	97.5	Very high	97.1	Very high	111 Å²	111	69 Å²	69	58%	0.581	36%	0.364	S	S	*	.	H	α-helix	trans	-79	-33.9	176.6	-68	173.5	0	0	0	112.4	E74 L78 A94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.45Å; E74-L98 HydrophobicContact CG-CD1 4.02Å; E74-L98 VanDerWaalsContact OE1-CD1 3.32Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.3Å; L78-L98 HydrophobicContact CD1-CD1 4.27Å; L78-L98 HydrophobicContact CD2-CD1 4.32Å; A94-L98 WeakPolarHBondContact O-CG 3.47Å; A94-L98 PolarHBondContact O-N 3.36Å; A94-L98 VanDerWaalsContact O-N 3.09Å; A95-L98 PolarHBondContact O-N 2.84Å; A95-L98 VanDerWaalsContact O-N 3.15Å; V96-L98 VanDerWaalsContact C-N 3.3Å; V96-L98 PolarHBondContact O-N 3.01Å
99	L	97.7	Very high	97.2	Very high	66 Å²	66	68.4 Å²	68.4	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-90.5	-32	-173.6	-68.5	168.4	0	0	0	114.2	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.47Å; R70-L99 HydrophobicContact CB-CD1 3.93Å; R70-L99 HydrophobicContact CB-CD2 4.21Å; R70-L99 WeakPolarHBondContact O-CD1 3.39Å; I71-L99 VanDerWaalsContact CA-CD1 3.49Å; I71-L99 HydrophobicContact CB-CD1 4.18Å; I71-L99 HydrophobicContact CG1-CD1 3.63Å; E74-L99 HydrophobicContact CB-CD1 4.15Å; A95-L99 WeakPolarHBondContact O-CB 3.3Å; A95-L99 WeakPolarHBondContact O-CG 3.16Å; A95-L99 PolarHBondContact O-N 2.81Å; V96-L99 PolarHBondContact O-N 3.24Å
100	L	97.1	Very high	97.3	Very high	44 Å²	44	68.4 Å²	68.4	23%	0.23	35%	0.351	C	S	.	.	S	Bend	trans	-103.3	137.2	-175.5	-57.7	-176.8	0	0	0	111.5	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.85Å; V96-L100 HydrophobicContact CG1-CG 4.41Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 PolarHBondContact O-N 2.93Å; L100-L104 HydrophobicContact CB-CB 4.48Å; L100-L104 HydrophobicContact CB-CD2 4.32Å; L100-L104 HydrophobicContact CB-CG 4.3Å; L100-L104 HydrophobicContact CD1-CD2 4.37Å; L100-L104 HydrophobicContact CD1-CG 4.12Å; L100-L104 HydrophobicContact CD2-CD2 4.06Å; L100-L104 HydrophobicContact CG-CD2 4.48Å; L100-S105 WeakPolarHBondContact O-CB 3.32Å; L100-A108 HydrophobicContact CD1-CB 3.73Å
101	P	97	Very high	97.4	Very high	97 Å²	97	64.8 Å²	64.8	63%	0.63	34%	0.342	S	S	*	.			trans	-77.5	144.9	-179.3	30.6	-35.4	0	0	0	112.7	E103 L104 S105	P101-E103 PolarHBondContact O-N 3.47Å; P101-L104 WeakPolarHBondContact O-CB 3.41Å; P101-L104 PolarHBondContact O-N 3.41Å; P101-L104 VanDerWaalsContact O-N 3.08Å; P101-S105 PolarHBondContact O-N 3.3Å
102	G	95.6	Very high	97.4	Very high	45 Å²	45	66 Å²	66	46%	0.464	36%	0.357	S	S	.	.	H	α-helix	trans	48.7	-127.6	159.7	0	0	0	0	0	115.6	L104 S105	G102-L104 PolarHBondContact O-N 3.45Å; G102-S105 PolarHBondContact O-N 3.08Å; G102-S105 PolarHBondContact O-OG 3.15Å
103	E	97.2	Very high	97.4	Very high	107 Å²	107	65.1 Å²	65.1	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-57.3	-35.1	179.8	-69.5	-64	162.7	0	0	113	P101 S105 R106 H107	P101-E103 PolarHBondContact O-N 3.47Å; E103-S105 VanDerWaalsContact C-N 3.25Å; E103-S105 PolarHBondContact O-N 3.46Å; E103-R106 WeakPolarHBondContact O-CB 3.35Å; E103-R106 PolarHBondContact O-N 3.27Å; E103-R106 IonicContact OE1-CZ 2.69Å; E103-R106 IonicContact OE1-NE 2.76Å; E103-R106 IonicContact OE1-NH2 2.84Å; E103-R106 PolarHBondContact OE1-NH2 3.49Å; E103-R106 IonicContact OE2-CZ 3.43Å; E103-R106 IonicContact OE2-NE 2.89Å; E103-R106 PolarHBondContact OE2-NE 3.26Å; E103-R106 IonicContact OE2-NH2 2.75Å; E103-R106 PolarHBondContact OE2-NH2 3.01Å; E103-H107 PolarHBondContact O-CD2 3.36Å; E103-H107 PolarHBondContact O-N 3.41Å
104	L	97.4	Very high	97.4	Very high	100 Å²	100	68 Å²	68	52%	0.524	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-38.6	-178	-172.3	63.1	0	0	0	111.3	L100 P101 G102 A108	L100-L104 HydrophobicContact CB-CB 4.48Å; L100-L104 HydrophobicContact CB-CD2 4.32Å; L100-L104 HydrophobicContact CB-CG 4.3Å; L100-L104 HydrophobicContact CD1-CD2 4.37Å; L100-L104 HydrophobicContact CD1-CG 4.12Å; L100-L104 HydrophobicContact CD2-CD2 4.06Å; L100-L104 HydrophobicContact CG-CD2 4.48Å; P101-L104 WeakPolarHBondContact O-CB 3.41Å; P101-L104 PolarHBondContact O-N 3.41Å; P101-L104 VanDerWaalsContact O-N 3.08Å; G102-L104 PolarHBondContact O-N 3.45Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.32Å
105	S	97.2	Very high	97.3	Very high	16 Å²	16	69.4 Å²	69.4	11%	0.112	38%	0.378	C	S	.	.	H	α-helix	trans	-64.3	-39.2	174.4	74.4	0	0	0	0	112.6	L100 P101 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.32Å; P101-S105 PolarHBondContact O-N 3.3Å; G102-S105 PolarHBondContact O-N 3.08Å; G102-S105 PolarHBondContact O-OG 3.15Å; E103-S105 VanDerWaalsContact C-N 3.25Å; E103-S105 PolarHBondContact O-N 3.46Å; S105-A108 PolarHBondContact O-N 2.63Å; S105-V109 WeakPolarHBondContact O-CB 3.34Å; S105-V109 VanDerWaalsContact O-CG2 3.28Å; S105-V109 WeakPolarHBondContact O-CG2 3.43Å; S105-V109 PolarHBondContact O-N 2.96Å
106	R	97.3	Very high	97.2	Very high	144 Å²	144	72.6 Å²	72.6	54%	0.543	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-48	179.1	-72	-169.9	-84.8	-88.8	12.4	111.1	E103 S110	E103-R106 WeakPolarHBondContact O-CB 3.35Å; E103-R106 PolarHBondContact O-N 3.27Å; E103-R106 IonicContact OE1-CZ 2.69Å; E103-R106 IonicContact OE1-NE 2.76Å; E103-R106 IonicContact OE1-NH2 2.84Å; E103-R106 PolarHBondContact OE1-NH2 3.49Å; E103-R106 IonicContact OE2-CZ 3.43Å; E103-R106 IonicContact OE2-NE 2.89Å; E103-R106 PolarHBondContact OE2-NE 3.26Å; E103-R106 IonicContact OE2-NH2 2.75Å; E103-R106 PolarHBondContact OE2-NH2 3.01Å; R106-S110 WeakPolarHBondContact O-CB 3.43Å; R106-S110 PolarHBondContact O-N 2.87Å
107	H	97.9	Very high	97.1	Very high	113 Å²	113	76.5 Å²	76.5	52%	0.523	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-45.6	177	-71.8	-74	0	0	0	111.7	E103 V109 S110 E111	E103-H107 PolarHBondContact O-CD2 3.36Å; E103-H107 PolarHBondContact O-N 3.41Å; H107-V109 PolarHBondContact O-N 2.71Å; H107-S110 WeakPolarHBondContact O-CB 3.49Å; H107-S110 PolarHBondContact O-N 2.84Å; H107-E111 WeakPolarHBondContact O-CG 3.38Å; H107-E111 PolarHBondContact O-N 2.95Å
108	A	97.9	Very high	97.1	Very high	35 Å²	35	76.8 Å²	76.8	29%	0.289	42%	0.422	S	S	.	.	H	α-helix	trans	-61.4	-42.2	179.6	0	0	0	0	0	112.8	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.62Å; L100-A108 HydrophobicContact CD1-CB 3.73Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.32Å; S105-A108 PolarHBondContact O-N 2.63Å; A108-G112 PolarHBondContact O-N 3.21Å
109	V	97.7	Very high	97.1	Very high	17 Å²	17	79.1 Å²	79.1	10%	0.103	43%	0.425	C	S	.	.	H	α-helix	trans	-67.2	-39.1	175.7	171.3	0	0	0	0	111.4	Q93 V96 R97 S105 H107 G112 T113	Q93-V109 HydrophobicContact CG-CG1 4.38Å; V96-V109 HydrophobicContact CB-CG2 4.44Å; V96-V109 HydrophobicContact CG1-CG2 4.04Å; R97-V109 HydrophobicContact CG-CG2 3.93Å; S105-V109 WeakPolarHBondContact O-CB 3.34Å; S105-V109 VanDerWaalsContact O-CG2 3.28Å; S105-V109 WeakPolarHBondContact O-CG2 3.43Å; S105-V109 PolarHBondContact O-N 2.96Å; H107-V109 PolarHBondContact O-N 2.71Å; V109-G112 PolarHBondContact O-N 3.14Å; V109-T113 WeakPolarHBondContact O-CB 3.37Å; V109-T113 PolarHBondContact O-N 3.31Å; V109-T113 PolarHBondContact O-OG1 2.91Å
110	S	97.6	Very high	96.9	Very high	51 Å²	51	80.9 Å²	80.9	36%	0.357	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-50.8	176.8	-175.5	0	0	0	0	111.4	R106 H107 G112 T113 K114	R106-S110 WeakPolarHBondContact O-CB 3.43Å; R106-S110 PolarHBondContact O-N 2.87Å; H107-S110 WeakPolarHBondContact O-CB 3.49Å; H107-S110 PolarHBondContact O-N 2.84Å; S110-G112 VanDerWaalsContact C-N 3.34Å; S110-G112 PolarHBondContact O-N 3.01Å; S110-T113 PolarHBondContact O-N 2.86Å; S110-K114 WeakPolarHBondContact O-CG 3.38Å; S110-K114 PolarHBondContact O-N 3.01Å
111	E	97.5	Very high	96.8	Very high	105 Å²	105	82.8 Å²	82.8	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-39.9	176.8	-66.9	-52.1	127.5	0	0	112.2	H107 T113 K114 A115	H107-E111 WeakPolarHBondContact O-CG 3.38Å; H107-E111 PolarHBondContact O-N 2.95Å; E111-T113 PolarHBondContact O-N 3.06Å; E111-K114 PolarHBondContact O-N 3.31Å; E111-K114 IonicContact OE1-NZ 3.95Å; E111-K114 PolarHBondContact OE1-NZ 2.88Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.43Å
112	G	97.4	Very high	96.6	Very high	34 Å²	34	84.1 Å²	84.1	35%	0.351	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-42.5	174.7	0	0	0	0	0	112.9	A108 V109 S110 A115 V116	A108-G112 PolarHBondContact O-N 3.21Å; V109-G112 PolarHBondContact O-N 3.14Å; S110-G112 VanDerWaalsContact C-N 3.34Å; S110-G112 PolarHBondContact O-N 3.01Å; G112-A115 PolarHBondContact O-N 2.75Å; G112-V116 WeakPolarHBondContact O-CG2 3.41Å; G112-V116 PolarHBondContact O-N 3.3Å; G112-V116 VanDerWaalsContact O-N 3.13Å
113	T	97.1	Very high	95.5	Very high	48 Å²	48	92.5 Å²	92.5	29%	0.294	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-48	179	-54.3	0	0	0	0	110.9	Q93 V109 S110 E111 A115 V116 D117	Q93-T113 PolarHBondContact NE2-OG1 3.42Å; V109-T113 WeakPolarHBondContact O-CB 3.37Å; V109-T113 PolarHBondContact O-N 3.31Å; V109-T113 PolarHBondContact O-OG1 2.91Å; S110-T113 PolarHBondContact O-N 2.86Å; E111-T113 PolarHBondContact O-N 3.06Å; T113-A115 VanDerWaalsContact C-N 3.25Å; T113-A115 PolarHBondContact O-N 2.74Å; T113-V116 PolarHBondContact O-N 2.73Å; T113-V116 VanDerWaalsContact O-N 3.11Å; T113-D117 VanDerWaalsContact O-CG 3.31Å; T113-D117 PolarHBondContact O-N 3.03Å
114	K	97	Very high	95.4	Very high	113 Å²	113	91.8 Å²	91.8	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-54.9	-41.5	175.1	-69.1	173.6	-168.8	169.9	0	112.3	S110 E111 K118	S110-K114 WeakPolarHBondContact O-CG 3.38Å; S110-K114 PolarHBondContact O-N 3.01Å; E111-K114 PolarHBondContact O-N 3.31Å; E111-K114 IonicContact OE1-NZ 3.95Å; E111-K114 PolarHBondContact OE1-NZ 2.88Å; K114-K118 WeakPolarHBondContact O-CB 3.26Å; K114-K118 PolarHBondContact O-N 3.39Å
115	A	96.7	Very high	95.3	Very high	61 Å²	61	91.3 Å²	91.3	50%	0.504	47%	0.471	S	S	.	.	H	α-helix	trans	-66.1	-40.7	179.3	0	0	0	0	0	112.3	E111 G112 T113 Y119	E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 3.43Å; G112-A115 PolarHBondContact O-N 2.75Å; T113-A115 VanDerWaalsContact C-N 3.25Å; T113-A115 PolarHBondContact O-N 2.74Å; A115-Y119 WeakPolarHBondContact O-CB 3.4Å; A115-Y119 PolarHBondContact O-N 3.25Å
116	V	96	Very high	95.2	Very high	66 Å²	66	95.5 Å²	95.5	40%	0.4	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-46.1	176	173.2	0	0	0	0	110.8	G112 T113 K118 Y119 M120	G112-V116 WeakPolarHBondContact O-CG2 3.41Å; G112-V116 PolarHBondContact O-N 3.3Å; G112-V116 VanDerWaalsContact O-N 3.13Å; T113-V116 PolarHBondContact O-N 2.73Å; T113-V116 VanDerWaalsContact O-N 3.11Å; V116-K118 PolarHBondContact O-N 3.36Å; V116-Y119 PolarHBondContact O-N 3.43Å; V116-Y119 VanDerWaalsContact O-N 3.16Å; V116-M120 HydrophobicContact CG1-CG 4.41Å; V116-M120 WeakPolarHBondContact O-CG 3.35Å; V116-M120 PolarHBondContact O-N 2.87Å
117	D	96.1	Very high	95.1	Very high	97 Å²	97	92.6 Å²	92.6	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-46.4	-179.9	-65.2	-20.2	0	0	0	111.3	T113 Y119 M120 S121	T113-D117 VanDerWaalsContact O-CG 3.31Å; T113-D117 PolarHBondContact O-N 3.03Å; D117-Y119 VanDerWaalsContact C-N 3.28Å; D117-Y119 PolarHBondContact O-N 3.16Å; D117-M120 PolarHBondContact O-N 3.29Å; D117-S121 PolarHBondContact O-N 3.41Å
118	K	96.9	Very high	94.9	Very high	142 Å²	142	91.4 Å²	91.4	62%	0.617	49%	0.485	S	S	*	.	H	α-helix	trans	-61.9	-35.2	175.8	-177.1	176.9	-180	177.8	0	112.7	K114 V116 S121 N122	K114-K118 WeakPolarHBondContact O-CB 3.26Å; K114-K118 PolarHBondContact O-N 3.39Å; V116-K118 PolarHBondContact O-N 3.36Å; K118-S121 PolarHBondContact O-OG 3.1Å; K118-N122 WeakPolarHBondContact O-CB 3.46Å; K118-N122 PolarHBondContact O-N 3.21Å; K118-N122 PolarHBondContact O-OD1 3.31Å
119	Y	96.2	Very high	94.7	Very high	161 Å²	161	95.1 Å²	95.1	63%	0.631	50%	0.498	S	S	*	.	H	α-helix	trans	-70.6	-38.6	176.4	178.4	-106.8	0	0	0	111.4	A115 V116 D117 N122	A115-Y119 WeakPolarHBondContact O-CB 3.4Å; A115-Y119 PolarHBondContact O-N 3.25Å; V116-Y119 PolarHBondContact O-N 3.43Å; V116-Y119 VanDerWaalsContact O-N 3.16Å; D117-Y119 VanDerWaalsContact C-N 3.28Å; D117-Y119 PolarHBondContact O-N 3.16Å; Y119-N122 PolarHBondContact O-N 3.03Å
120	M	94.8	Very high	94.5	Very high	103 Å²	103	100.7 Å²	100.7	51%	0.507	53%	0.527	S	S	.	.	H	α-helix	trans	-68.4	-34.9	175.9	-67.8	-66.9	100	0	0	112.9	V116 D117 N122	V116-M120 HydrophobicContact CG1-CG 4.41Å; V116-M120 WeakPolarHBondContact O-CG 3.35Å; V116-M120 PolarHBondContact O-N 2.87Å; D117-M120 PolarHBondContact O-N 3.29Å; M120-N122 VanDerWaalsContact C-N 3.27Å; M120-N122 PolarHBondContact O-N 3.23Å
121	S	95.2	Very high	94.2	Very high	84 Å²	84	104.5 Å²	104.5	59%	0.587	54%	0.54	S	S	*	.	H	α-helix	trans	-71.1	-22	177.2	66.2	0	0	0	0	114	D117 K118	D117-S121 PolarHBondContact O-N 3.41Å; K118-S121 PolarHBondContact O-OG 3.1Å
122	N	91.4	Very high	93.9	Very high	124 Å²	124	104.5 Å²	104.5	66%	0.663	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	11.8	-175.8	-70.5	15.8	0	0	0	112.8	K118 Y119 M120	K118-N122 WeakPolarHBondContact O-CB 3.46Å; K118-N122 PolarHBondContact O-N 3.21Å; K118-N122 PolarHBondContact O-OD1 3.31Å; Y119-N122 PolarHBondContact O-N 3.03Å; M120-N122 VanDerWaalsContact C-N 3.27Å; M120-N122 PolarHBondContact O-N 3.23Å
123	K	72.6	Confident	93.6	Very high	221 Å²	221	110.9 Å²	110.9	96%	0.961	56%	0.561	S	S	*	*			trans	-94.3	0	176	-171.1	179.4	-179.4	-174.6	0	110.7

Retrieved 123 of 123 residues in 416.2 ms (Link to these results)

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