A0A077ZJU3_TRITR Loading...

Histone H2B

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 A0A077ZJU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZJU3_TRITR|A0A077ZJU3
MPPKVSAKGMKKAGKAQKVSKSGDKKRKKSRKESFASYIYKVLKQVHPDTGISSKAMSIMNSFVNDVFDRIAAEASRLAHYNNRHTISSREIQTAVRLLLPGELSKHAVSEGTKAVTKYTSAK
					

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	49.8	Very low	51.8	Low	242 Å²	242	159.3 Å²	159.3	100%	1.192	89%	0.893	S	S	*	*				0	112.1	0	-72.1	174.6	148.1	0	0	109.6
2	P	68.8	Low	51.2	Low	124 Å²	124	163.3 Å²	163.3	81%	0.805	89%	0.894	S	S	*	*			trans	-103.1	158.5	146.5	35.5	-25.1	0	0	0	108.5
3	P	57	Low	50.8	Low	122 Å²	122	158.8 Å²	158.8	79%	0.792	89%	0.892	S	S	*	*				-139.3	-171.6	51.3	31.2	-5.6	0	0	0	111.1
4	K	56.6	Low	50.3	Low	192 Å²	192	152.9 Å²	152.9	84%	0.835	88%	0.884	S	S	*	*				-177.6	129.3	50.8	-154.9	174.4	-170.5	175.9	0	107.8
5	V	51	Low	49.9	Very low	141 Å²	141	156.5 Å²	156.5	86%	0.855	89%	0.885	S	S	*	*			trans	-70.1	144.5	170.5	-81.2	0	0	0	0	111.2
6	S	57	Low	49.8	Very low	123 Å²	123	153.3 Å²	153.3	86%	0.86	88%	0.884	S	S	*	*			trans	-148.7	98.7	164.9	-73.7	0	0	0	0	110
7	A	47.1	Very low	50.1	Low	102 Å²	102	155.1 Å²	155.1	84%	0.843	88%	0.883	S	S	*	*			trans	-103.2	117.8	166.1	0	0	0	0	0	108.4
8	K	44.4	Very low	50	Low	221 Å²	221	157.9 Å²	157.9	96%	0.961	88%	0.883	S	S	*	*			trans	-164.5	115.3	163.3	-133.5	172.2	-173.8	173.1	0	110.5
9	G	41	Very low	50.2	Low	77 Å²	77	157.1 Å²	157.1	79%	0.794	88%	0.882	S	S	*	*			trans	165.4	39.3	170.6	0	0	0	0	0	117.6	K11	G9-K11 PolarHBondContact O-N 3.43Å
10	M	46.1	Very low	50.2	Low	200 Å²	200	154.2 Å²	154.2	99%	0.985	87%	0.873	S	S	*	*			trans	-82.8	107.9	171.8	-151.7	161.8	95.5	0	0	109.3
11	K	51.5	Low	50.1	Low	208 Å²	208	157.1 Å²	157.1	90%	0.904	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-89.3	120.5	172.5	-84.5	-176.3	177.3	175.7	0	110.3	G9	G9-K11 PolarHBondContact O-N 3.43Å
12	K	44.3	Very low	50.2	Low	208 Å²	208	150.2 Å²	150.2	90%	0.904	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-58	138.7	176.6	-86.5	174.7	169.4	175.7	0	112.9
13	A	45.4	Very low	49.1	Very low	105 Å²	105	146.9 Å²	146.9	87%	0.868	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-64.7	148.6	159.6	0	0	0	0	0	111.4
14	G	45	Very low	48.8	Very low	75 Å²	75	149.2 Å²	149.2	77%	0.773	85%	0.845	S	S	*	*			trans	150.1	84	164.6	0	0	0	0	0	115.2
15	K	43.9	Very low	48.9	Very low	207 Å²	207	148.4 Å²	148.4	90%	0.9	84%	0.842	S	S	*	*			trans	-156.5	97.4	143.4	-111.6	174	-174.7	-179.6	0	108.6	Q17	K15-Q17 PolarHBondContact O-N 3.35Å
16	A	48.4	Very low	49.3	Very low	106 Å²	106	151 Å²	151	88%	0.876	84%	0.842	S	S	*	*			trans	-64.9	110.8	169.1	0	0	0	0	0	108.6	K18	A16-K18 PolarHBondContact O-N 3.2Å
17	Q	54.2	Low	49.4	Very low	183 Å²	183	157 Å²	157	86%	0.855	85%	0.845	S	S	*	*			trans	-72.8	114.8	167.8	-89	176.2	-58	0	0	108.6	K15 V19	K15-Q17 PolarHBondContact O-N 3.35Å; Q17-V19 PolarHBondContact O-N 3.15Å; Q17-V19 VanDerWaalsContact O-N 3.15Å
18	K	48.2	Very low	50.1	Low	206 Å²	206	161.3 Å²	161.3	90%	0.896	85%	0.845	S	S	*	*			trans	-53.6	115.4	165	-92.3	178.7	171.8	177.3	0	108.8	A16 S20	A16-K18 PolarHBondContact O-N 3.2Å; K18-S20 PolarHBondContact O-N 3.08Å; K18-S20 VanDerWaalsContact O-N 3.15Å
19	V	53.4	Low	50.9	Low	142 Å²	142	159.6 Å²	159.6	86%	0.861	84%	0.838	S	S	*	*			trans	-72.8	103.1	169.7	-173.2	0	0	0	0	107.4	Q17 K21	Q17-V19 PolarHBondContact O-N 3.15Å; Q17-V19 VanDerWaalsContact O-N 3.15Å; V19-K21 PolarHBondContact O-N 3.46Å
20	S	51.5	Low	51.9	Low	100 Å²	100	161 Å²	161	70%	0.699	84%	0.836	S	S	*	*			trans	-63.8	115.2	170	50.9	0	0	0	0	109.4	K18 S22	K18-S20 PolarHBondContact O-N 3.08Å; K18-S20 VanDerWaalsContact O-N 3.15Å; S20-S22 VanDerWaalsContact C-N 3.3Å; S20-S22 PolarHBondContact O-N 3.39Å
21	K	48.8	Very low	52.8	Low	215 Å²	215	161.5 Å²	161.5	94%	0.935	83%	0.827	S	S	*	*			trans	-63.1	92.4	162.5	-99.2	176.4	172.7	172.7	0	107.7	V19 G23	V19-K21 PolarHBondContact O-N 3.46Å; K21-G23 PolarHBondContact O-N 3.18Å
22	S	49.9	Very low	53.7	Low	97 Å²	97	160 Å²	160	68%	0.678	82%	0.82	S	S	*	*			trans	-65.4	106.8	165.1	-85	0	0	0	0	108.4	S20	S20-S22 VanDerWaalsContact C-N 3.3Å; S20-S22 PolarHBondContact O-N 3.39Å
23	G	46.5	Very low	55.3	Low	54 Å²	54	159.5 Å²	159.5	56%	0.557	82%	0.821	S	S	*	*			trans	-59.9	161.1	167.2	0	0	0	0	0	113.1	K21 K25	K21-G23 PolarHBondContact O-N 3.18Å; G23-K25 PolarHBondContact O-N 3.02Å; G23-K25 VanDerWaalsContact O-N 3.12Å
24	D	51.5	Low	57.5	Low	171 Å²	171	156.9 Å²	156.9	91%	0.914	80%	0.796	S	S	*	*			trans	53.5	36.8	153.8	-61.6	-48.8	0	0	0	118.9	K26	D24-K26 VanDerWaalsContact C-N 3.32Å; D24-K26 PolarHBondContact O-N 2.87Å
25	K	57.1	Low	59.8	Low	175 Å²	175	156.5 Å²	156.5	76%	0.761	77%	0.773	S	S	*	*			trans	-74.4	94.4	152.1	-76	-179.3	-176.8	168.8	0	108.1	G23 R27	G23-K25 PolarHBondContact O-N 3.02Å; G23-K25 VanDerWaalsContact O-N 3.12Å; K25-R27 PolarHBondContact O-N 3.15Å
26	K	59.8	Low	62.2	Low	196 Å²	196	148.1 Å²	148.1	85%	0.852	74%	0.743	S	S	*	*			trans	-18.8	111.8	162.7	-92.4	179	174.8	172.6	0	109.4	D24 K28	D24-K26 VanDerWaalsContact C-N 3.32Å; D24-K26 PolarHBondContact O-N 2.87Å; K26-K28 PolarHBondContact O-N 3.2Å
27	R	59.9	Low	64.3	Low	248 Å²	248	145.4 Å²	145.4	94%	0.936	72%	0.717	S	S	*	*			trans	-36.5	106.3	-179.2	-76.5	179.2	175.6	171.3	-1.5	108.7	K25 K29	K25-R27 PolarHBondContact O-N 3.15Å; R27-K29 PolarHBondContact O-N 3.24Å
28	K	62.4	Low	66.2	Low	193 Å²	193	143.3 Å²	143.3	84%	0.839	70%	0.703	S	S	*	*			trans	-54.7	115.7	176.3	-78.8	-177.2	175.1	-178.7	0	105.9	K26 S30	K26-K28 PolarHBondContact O-N 3.2Å; K28-S30 PolarHBondContact O-N 3.05Å; K28-S30 VanDerWaalsContact O-N 3.15Å
29	K	60.8	Low	68.5	Low	186 Å²	186	134.6 Å²	134.6	81%	0.809	67%	0.666	S	S	*	*			trans	-46.5	125	175.3	-171.6	171.7	-176	171.8	0	107.1	R27 R31	R27-K29 PolarHBondContact O-N 3.24Å; K29-R31 PolarHBondContact O-N 3.36Å; K29-R31 VanDerWaalsContact O-N 3.11Å
30	S	60.4	Low	70.5	Confident	107 Å²	107	133.5 Å²	133.5	75%	0.748	65%	0.647	S	S	*	*			trans	-44.6	124.2	179.3	-180	0	0	0	0	108.5	K28 K32	K28-S30 PolarHBondContact O-N 3.05Å; K28-S30 VanDerWaalsContact O-N 3.15Å; S30-K32 PolarHBondContact O-N 2.86Å
31	R	66.7	Low	72.6	Confident	210 Å²	210	134.7 Å²	134.7	79%	0.792	64%	0.64	S	S	*	*			trans	-62.8	110.5	-177.1	-177.9	178.6	-177.1	173.9	-0.1	106.3	K29 E33	K29-R31 PolarHBondContact O-N 3.36Å; K29-R31 VanDerWaalsContact O-N 3.11Å; R31-E33 PolarHBondContact O-N 3.38Å; R31-E33 VanDerWaalsContact O-N 3.16Å
32	K	69.5	Low	74.9	Confident	177 Å²	177	128.4 Å²	128.4	77%	0.77	62%	0.619	S	S	*	*			trans	-60.4	120.7	170.1	-71.4	-169.5	174.1	-168.1	0	107.3	S30 S34	S30-K32 PolarHBondContact O-N 2.86Å; K32-S34 PolarHBondContact O-N 3.36Å
33	E	79	Confident	77.1	Confident	196 Å²	196	125.3 Å²	125.3	92%	0.916	60%	0.595	S	S	*	*			trans	-59.9	124.4	170.2	-65.5	-176.4	159.3	0	0	107.7	R31	R31-E33 PolarHBondContact O-N 3.38Å; R31-E33 VanDerWaalsContact O-N 3.16Å
34	S	90.9	Very high	79.5	Confident	50 Å²	50	125.8 Å²	125.8	35%	0.35	58%	0.581	S	S	.	*			trans	-153.9	145.1	-175.1	171.1	0	0	0	0	109.6	K32 A36 N61	K32-S34 PolarHBondContact O-N 3.36Å; S34-A36 PolarHBondContact O-N 2.98Å; S34-A36 WeakPolarHBondContact OG-CB 3.3Å; S34-A36 PolarHBondContact OG-N 2.51Å; S34-A36 VanDerWaalsContact OG-N 3.11Å; S34-N61 PolarHBondContact OG-OD1 3.16Å
35	F	93.4	Very high	81.7	Confident	67 Å²	67	125 Å²	125	29%	0.294	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-1.2	175.4	-63.4	-79.4	0	0	0	113.2	S37 Y38 I39 N61 V64 N65	F35-S37 PolarHBondContact O-N 3.4Å; F35-S37 VanDerWaalsContact O-N 3.1Å; F35-Y38 HydrophobicContact CD1-CD2 4.11Å; F35-Y38 PolarHBondContact O-N 3.06Å; F35-I39 HydrophobicContact CB-CD1 4.02Å; F35-I39 HydrophobicContact CB-CG1 4.34Å; F35-I39 WeakPolarHBondContact O-CG1 3.32Å; F35-I39 PolarHBondContact O-N 3.35Å; F35-N61 PolarHBondContact N-OD1 3.18Å; F35-V64 HydrophobicContact CB-CG1 4.24Å; F35-V64 HydrophobicContact CD1-CG1 3.92Å; F35-V64 HydrophobicContact CD2-CB 4.12Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.14Å; F35-V64 HydrophobicContact CE2-CG1 3.78Å; F35-V64 HydrophobicContact CG-CB 4.32Å; F35-V64 HydrophobicContact CG-CG1 3.62Å; F35-V64 HydrophobicContact CZ-CG1 4.07Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.34Å
36	A	93.5	Very high	83.6	Confident	31 Å²	31	121.1 Å²	121.1	26%	0.256	56%	0.563	S	S	.	*	H	α-helix	trans	-51.9	-40.1	-174.3	0	0	0	0	0	113.8	S34 Y38 I39 Y40 M57	S34-A36 PolarHBondContact O-N 2.98Å; S34-A36 WeakPolarHBondContact OG-CB 3.3Å; S34-A36 PolarHBondContact OG-N 2.51Å; S34-A36 VanDerWaalsContact OG-N 3.11Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.06Å; A36-I39 PolarHBondContact O-N 3.22Å; A36-Y40 WeakPolarHBondContact O-CB 3.38Å; A36-Y40 PolarHBondContact O-N 3.32Å; A36-M57 HydrophobicContact CB-CG 3.96Å; A36-M57 HydrophobicContact CB-SD 3.82Å
37	S	93.4	Very high	85.4	Confident	50 Å²	50	116.6 Å²	116.6	35%	0.35	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-34.1	178.3	69.3	0	0	0	0	113.2	F35 K41	F35-S37 PolarHBondContact O-N 3.4Å; F35-S37 VanDerWaalsContact O-N 3.1Å; S37-K41 VanDerWaalsContact O-CG 3.3Å; S37-K41 WeakPolarHBondContact O-CG 3.46Å; S37-K41 PolarHBondContact O-N 2.92Å; S37-K41 VanDerWaalsContact O-N 3.17Å
38	Y	94.4	Very high	87.1	Confident	139 Å²	139	108.6 Å²	108.6	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-79	-40.2	178.2	-54.8	-67.3	0	0	0	111.3	F35 A36 Y40 K41 V42	F35-Y38 HydrophobicContact CD1-CD2 4.11Å; F35-Y38 PolarHBondContact O-N 3.06Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.06Å; Y38-Y40 VanDerWaalsContact C-N 3.26Å; Y38-Y40 PolarHBondContact O-N 3.27Å; Y38-K41 PolarHBondContact O-N 3.14Å; Y38-K41 VanDerWaalsContact O-N 3.14Å; Y38-V42 WeakPolarHBondContact O-CG2 3.2Å; Y38-V42 PolarHBondContact O-N 2.8Å
39	I	96	Very high	88.8	Confident	23 Å²	23	107.1 Å²	107.1	12%	0.118	53%	0.526	C	S	.	.	H	α-helix	trans	-56.1	-45.3	173.7	-64.7	162.3	0	0	0	109.7	F35 A36 V42 L43 I52 M57 M60 N61	F35-I39 HydrophobicContact CB-CD1 4.02Å; F35-I39 HydrophobicContact CB-CG1 4.34Å; F35-I39 WeakPolarHBondContact O-CG1 3.32Å; F35-I39 PolarHBondContact O-N 3.35Å; A36-I39 PolarHBondContact O-N 3.22Å; I39-V42 PolarHBondContact O-N 3.24Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 PolarHBondContact O-N 3.33Å; I39-I52 HydrophobicContact CG2-CD1 4.37Å; I39-M57 HydrophobicContact CB-SD 3.87Å; I39-M57 HydrophobicContact CD1-SD 4.16Å; I39-M57 HydrophobicContact CG2-CE 4.42Å; I39-M57 HydrophobicContact CG2-SD 3.72Å; I39-M60 HydrophobicContact CD1-CB 3.84Å; I39-M60 HydrophobicContact CG1-CB 4.5Å; I39-M60 HydrophobicContact CG2-CB 4.12Å; I39-M60 HydrophobicContact CG2-CG 4.49Å; I39-N61 HydrophobicContact CD1-CB 4.23Å
40	Y	95.9	Very high	90.5	Very high	118 Å²	118	101.6 Å²	101.6	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-65.3	-41.7	176.9	-170.4	-96.6	0	0	0	113.1	A36 Y38 L43 K44 I52	A36-Y40 WeakPolarHBondContact O-CB 3.38Å; A36-Y40 PolarHBondContact O-N 3.32Å; Y38-Y40 VanDerWaalsContact C-N 3.26Å; Y38-Y40 PolarHBondContact O-N 3.27Å; Y40-L43 PolarHBondContact O-N 3.5Å; Y40-K44 HydrophobicContact CD1-CG 4.21Å; Y40-K44 HydrophobicContact CE1-CG 3.74Å; Y40-K44 HydrophobicContact CE2-CG 4.42Å; Y40-K44 PolarHBondContact O-N 3.01Å; Y40-K44 WeakPolarHBondContact OH-CE 3.34Å; Y40-I52 HydrophobicContact CD2-CG2 4.5Å
41	K	95.5	Very high	92.2	Very high	126 Å²	126	99.4 Å²	99.4	55%	0.548	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-46.4	176.5	-77.9	174.2	-179.4	-178.6	0	111.8	S37 Y38 K44 Q45	S37-K41 VanDerWaalsContact O-CG 3.3Å; S37-K41 WeakPolarHBondContact O-CG 3.46Å; S37-K41 PolarHBondContact O-N 2.92Å; S37-K41 VanDerWaalsContact O-N 3.17Å; Y38-K41 PolarHBondContact O-N 3.14Å; Y38-K41 VanDerWaalsContact O-N 3.14Å; K41-K44 PolarHBondContact O-N 3.25Å; K41-Q45 VanDerWaalsContact O-CG 3.31Å; K41-Q45 WeakPolarHBondContact O-CG 3.37Å; K41-Q45 PolarHBondContact O-N 3.23Å; K41-Q45 VanDerWaalsContact O-N 3.11Å
42	V	95.5	Very high	93.6	Very high	82 Å²	82	92 Å²	92	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-66.6	-42.5	178.5	175.9	0	0	0	0	110.6	Y38 I39 K44 Q45 V46	Y38-V42 WeakPolarHBondContact O-CG2 3.2Å; Y38-V42 PolarHBondContact O-N 2.8Å; I39-V42 PolarHBondContact O-N 3.24Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 2.91Å; V42-Q45 WeakPolarHBondContact O-CB 3.25Å; V42-Q45 PolarHBondContact O-N 3.49Å; V42-Q45 VanDerWaalsContact O-N 3.12Å; V42-V46 PolarHBondContact O-N 2.94Å; V42-V46 VanDerWaalsContact O-N 3.12Å
43	L	97	Very high	95	Very high	33 Å²	33	86.9 Å²	86.9	17%	0.173	46%	0.464	C	S	.	.	H	α-helix	trans	-56	-47.6	176	176.8	64.8	0	0	0	111.6	I39 Y40 Q45 V46 H47 I52	I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 PolarHBondContact O-N 3.33Å; Y40-L43 PolarHBondContact O-N 3.5Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.38Å; L43-V46 PolarHBondContact O-N 3.28Å; L43-H47 HydrophobicContact CD1-CB 4.38Å; L43-H47 CarbonylContact O-C 3.45Å; L43-H47 WeakPolarHBondContact O-CA 3.44Å; L43-H47 PolarHBondContact O-N 2.97Å; L43-I52 HydrophobicContact CD2-CB 3.69Å; L43-I52 HydrophobicContact CD2-CG2 3.68Å
44	K	97.5	Very high	95.8	Very high	64 Å²	64	82.7 Å²	82.7	28%	0.278	46%	0.456	S	S	.	.	H	α-helix	trans	-71.5	-20.8	179.9	-70	-54.4	-168.5	-174.9	0	114.2	Y40 K41 V42 P48 T50	Y40-K44 HydrophobicContact CD1-CG 4.21Å; Y40-K44 HydrophobicContact CE1-CG 3.74Å; Y40-K44 HydrophobicContact CE2-CG 4.42Å; Y40-K44 PolarHBondContact O-N 3.01Å; Y40-K44 WeakPolarHBondContact OH-CE 3.34Å; K41-K44 PolarHBondContact O-N 3.25Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 2.91Å; K44-P48 WeakPolarHBondContact CD-O 3.37Å; K44-P48 PolarHBondContact NZ-O 3.24Å; K44-T50 PolarHBondContact NZ-O 3.32Å
45	Q	96.4	Very high	96	Very high	154 Å²	154	87.9 Å²	87.9	72%	0.72	47%	0.473	S	S	*	.	H	α-helix	trans	-74.4	-34.2	171.7	-75.6	174.6	-30	0	0	112.5	K41 V42 L43	K41-Q45 VanDerWaalsContact O-CG 3.31Å; K41-Q45 WeakPolarHBondContact O-CG 3.37Å; K41-Q45 PolarHBondContact O-N 3.23Å; K41-Q45 VanDerWaalsContact O-N 3.11Å; V42-Q45 WeakPolarHBondContact O-CB 3.25Å; V42-Q45 PolarHBondContact O-N 3.49Å; V42-Q45 VanDerWaalsContact O-N 3.12Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.38Å
46	V	97.5	Very high	96.2	Very high	93 Å²	93	86.2 Å²	86.2	56%	0.564	47%	0.472	S	S	*	.	H	α-helix	trans	-94.3	-38	-177.5	-176	0	0	0	0	112.2	V42 L43	V42-V46 PolarHBondContact O-N 2.94Å; V42-V46 VanDerWaalsContact O-N 3.12Å; L43-V46 PolarHBondContact O-N 3.28Å
47	H	97.2	Very high	96.4	Very high	102 Å²	102	86.3 Å²	86.3	47%	0.472	47%	0.467	S	S	.	.			trans	-136.6	84.7	-178.6	-62.2	-60	0	0	0	111.2	L43 D49 T50	L43-H47 HydrophobicContact CD1-CB 4.38Å; L43-H47 CarbonylContact O-C 3.45Å; L43-H47 WeakPolarHBondContact O-CA 3.44Å; L43-H47 PolarHBondContact O-N 2.97Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.31Å; H47-T50 PolarHBondContact O-N 3.47Å
48	P	97.2	Very high	96.5	Very high	79 Å²	79	87.4 Å²	87.4	51%	0.513	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.8	-177.8	-26.4	35.6	0	0	0	114.1	K44	K44-P48 WeakPolarHBondContact CD-O 3.37Å; K44-P48 PolarHBondContact NZ-O 3.24Å
49	D	97.1	Very high	96.6	Very high	162 Å²	162	85.7 Å²	85.7	87%	0.866	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.2	-174	-54.5	-44.8	0	0	0	113.7	H47	H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.31Å
50	T	96.6	Very high	96.7	Very high	71 Å²	71	88.3 Å²	88.3	44%	0.436	49%	0.486	S	S	.	.			trans	-94.4	138.7	-177.4	-58.1	0	0	0	0	111.4	K44 H47	K44-T50 PolarHBondContact NZ-O 3.32Å; H47-T50 PolarHBondContact O-N 3.47Å
51	G	96	Very high	96.6	Very high	61 Å²	61	84 Å²	84	63%	0.629	47%	0.472	S	S	*	.			trans	-100.9	168.4	170.2	0	0	0	0	0	112.3
52	I	97.1	Very high	96.7	Very high	54 Å²	54	81.4 Å²	81.4	28%	0.277	47%	0.469	S	S	.	.			trans	-129.2	134.1	174.4	-173.5	170.1	0	0	0	109.6	I39 Y40 L43 A56 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.37Å; Y40-I52 HydrophobicContact CD2-CG2 4.5Å; L43-I52 HydrophobicContact CD2-CB 3.69Å; L43-I52 HydrophobicContact CD2-CG2 3.68Å; I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.6Å; I52-M57 HydrophobicContact CG2-CE 3.54Å; I52-M60 HydrophobicContact CD1-CG 4.21Å
53	S	97.3	Very high	96.8	Very high	70 Å²	70	83 Å²	83	49%	0.49	47%	0.469	S	S	.	.			trans	-71.2	159.3	178.1	72.7	0	0	0	0	111.5	K55 A56 M57	S53-K55 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 2.89Å; S53-A56 PolarHBondContact O-N 3.37Å; S53-A56 WeakPolarHBondContact OG-CB 3.25Å; S53-A56 PolarHBondContact OG-N 2.78Å; S53-A56 VanDerWaalsContact OG-N 3.14Å; S53-M57 WeakPolarHBondContact O-CB 3.35Å; S53-M57 PolarHBondContact O-N 3.02Å
54	S	95.6	Very high	96.7	Very high	107 Å²	107	83.5 Å²	83.5	75%	0.748	47%	0.474	S	S	*	.	H	α-helix	trans	-60.6	-38.4	176.4	56.6	0	0	0	0	112.4	M57 S58	S54-M57 PolarHBondContact O-N 2.96Å; S54-S58 PolarHBondContact O-N 2.94Å
55	K	96.9	Very high	96.7	Very high	160 Å²	160	83.1 Å²	83.1	70%	0.696	48%	0.475	S	S	*	.	H	α-helix	trans	-63.9	-47.3	175.7	-171.3	176.5	-177.7	179.6	0	111.2	S53 M57 S58 I59	S53-K55 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 2.89Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 3.26Å; K55-S58 WeakPolarHBondContact O-CB 3.22Å; K55-S58 PolarHBondContact O-N 2.97Å; K55-I59 HydrophobicContact CG-CD1 4.33Å; K55-I59 WeakPolarHBondContact O-CG1 3.36Å; K55-I59 PolarHBondContact O-N 2.76Å
56	A	97.4	Very high	96.7	Very high	32 Å²	32	79.1 Å²	79.1	26%	0.264	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176.7	0	0	0	0	0	111.8	I52 S53 S58 I59 M60	I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.6Å; S53-A56 PolarHBondContact O-N 3.37Å; S53-A56 WeakPolarHBondContact OG-CB 3.25Å; S53-A56 PolarHBondContact OG-N 2.78Å; S53-A56 VanDerWaalsContact OG-N 3.14Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 2.79Å; A56-I59 PolarHBondContact O-N 3.12Å; A56-M60 WeakPolarHBondContact O-CG 3.48Å; A56-M60 PolarHBondContact O-N 3.44Å
57	M	96.1	Very high	96.6	Very high	33 Å²	33	76.6 Å²	76.6	16%	0.163	44%	0.443	C	S	.	.	H	α-helix	trans	-59.4	-41.7	173.9	-174	66.1	81	0	0	111.9	A36 I39 I52 S53 S54 K55 M60 N61	A36-M57 HydrophobicContact CB-CG 3.96Å; A36-M57 HydrophobicContact CB-SD 3.82Å; I39-M57 HydrophobicContact CB-SD 3.87Å; I39-M57 HydrophobicContact CD1-SD 4.16Å; I39-M57 HydrophobicContact CG2-CE 4.42Å; I39-M57 HydrophobicContact CG2-SD 3.72Å; I52-M57 HydrophobicContact CG2-CE 3.54Å; S53-M57 WeakPolarHBondContact O-CB 3.35Å; S53-M57 PolarHBondContact O-N 3.02Å; S54-M57 PolarHBondContact O-N 2.96Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 3.26Å; M57-M60 PolarHBondContact O-N 3.48Å; M57-N61 WeakPolarHBondContact O-CB 3.5Å; M57-N61 PolarHBondContact O-N 3.49Å
58	S	95.6	Very high	96.6	Very high	72 Å²	72	77.4 Å²	77.4	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.9	-168.8	0	0	0	0	111.9	S54 K55 A56 N61 S62	S54-S58 PolarHBondContact O-N 2.94Å; K55-S58 WeakPolarHBondContact O-CB 3.22Å; K55-S58 PolarHBondContact O-N 2.97Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 2.79Å; S58-N61 PolarHBondContact O-N 3.14Å; S58-S62 PolarHBondContact O-N 2.92Å; S58-S62 PolarHBondContact O-OG 3.13Å
59	I	97.2	Very high	96.5	Very high	103 Å²	103	78.4 Å²	78.4	53%	0.528	45%	0.447	S	S	.	.	H	α-helix	trans	-61.5	-47.6	177.4	-66.8	165.6	0	0	0	110.2	K55 A56 N61 S62 F63	K55-I59 HydrophobicContact CG-CD1 4.33Å; K55-I59 WeakPolarHBondContact O-CG1 3.36Å; K55-I59 PolarHBondContact O-N 2.76Å; A56-I59 PolarHBondContact O-N 3.12Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.43Å; I59-S62 PolarHBondContact O-N 3.06Å; I59-F63 PolarHBondContact O-N 3.43Å
60	M	97.3	Very high	96.6	Very high	79 Å²	79	77.3 Å²	77.3	39%	0.389	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-40.5	178.2	-70.8	-58.6	-64.8	0	0	112.2	I39 I52 A56 M57 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.84Å; I39-M60 HydrophobicContact CG1-CB 4.5Å; I39-M60 HydrophobicContact CG2-CB 4.12Å; I39-M60 HydrophobicContact CG2-CG 4.49Å; I52-M60 HydrophobicContact CD1-CG 4.21Å; A56-M60 WeakPolarHBondContact O-CG 3.48Å; A56-M60 PolarHBondContact O-N 3.44Å; M57-M60 PolarHBondContact O-N 3.48Å; M60-F63 PolarHBondContact O-N 2.89Å; M60-V64 WeakPolarHBondContact O-CG2 3.38Å; M60-V64 PolarHBondContact O-N 3.47Å
61	N	95.7	Very high	96.6	Very high	28 Å²	28	75.4 Å²	75.4	15%	0.15	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-44.1	175.4	-177.2	86.9	0	0	0	111.3	S34 F35 I39 M57 S58 I59 F63 V64 N65	S34-N61 PolarHBondContact OG-OD1 3.16Å; F35-N61 PolarHBondContact N-OD1 3.18Å; I39-N61 HydrophobicContact CD1-CB 4.23Å; M57-N61 WeakPolarHBondContact O-CB 3.5Å; M57-N61 PolarHBondContact O-N 3.49Å; S58-N61 PolarHBondContact O-N 3.14Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.43Å; N61-F63 VanDerWaalsContact C-N 3.35Å; N61-V64 PolarHBondContact O-N 3.39Å; N61-N65 PolarHBondContact ND2-ND2 2.91Å; N61-N65 PolarHBondContact O-N 3.4Å; N61-N65 VanDerWaalsContact O-N 3.1Å; N61-N65 PolarHBondContact O-ND2 2.85Å
62	S	96.4	Very high	96.7	Very high	70 Å²	70	74.3 Å²	74.3	49%	0.49	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-39.8	175.4	-63.6	0	0	0	0	112.5	S58 I59 V64 N65 D66	S58-S62 PolarHBondContact O-N 2.92Å; S58-S62 PolarHBondContact O-OG 3.13Å; I59-S62 PolarHBondContact O-N 3.06Å; S62-V64 PolarHBondContact O-N 2.85Å; S62-N65 PolarHBondContact O-N 3.48Å; S62-D66 PolarHBondContact O-N 3.31Å
63	F	96.8	Very high	96.7	Very high	116 Å²	116	74.1 Å²	74.1	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-60.1	-45.2	175.5	173.9	-112.3	0	0	0	112.1	I59 M60 N61 N65 D66 V67	I59-F63 PolarHBondContact O-N 3.43Å; M60-F63 PolarHBondContact O-N 2.89Å; N61-F63 VanDerWaalsContact C-N 3.35Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 2.99Å; F63-D66 PolarHBondContact O-N 2.83Å; F63-V67 HydrophobicContact CD2-CG2 4.25Å; F63-V67 HydrophobicContact CE1-CG2 4.44Å; F63-V67 HydrophobicContact CE2-CG2 3.77Å; F63-V67 HydrophobicContact CZ-CG2 3.88Å; F63-V67 WeakPolarHBondContact O-CG2 3.33Å; F63-V67 PolarHBondContact O-N 2.92Å; F63-V67 VanDerWaalsContact O-N 3.08Å
64	V	96.4	Very high	96.7	Very high	43 Å²	43	72 Å²	72	26%	0.261	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-40.2	176.3	174.5	0	0	0	0	111.3	F35 M60 N61 S62 F68	F35-V64 HydrophobicContact CB-CG1 4.24Å; F35-V64 HydrophobicContact CD1-CG1 3.92Å; F35-V64 HydrophobicContact CD2-CB 4.12Å; F35-V64 HydrophobicContact CD2-CG1 3.55Å; F35-V64 HydrophobicContact CE1-CG1 4.14Å; F35-V64 HydrophobicContact CE2-CG1 3.78Å; F35-V64 HydrophobicContact CG-CB 4.32Å; F35-V64 HydrophobicContact CG-CG1 3.62Å; F35-V64 HydrophobicContact CZ-CG1 4.07Å; M60-V64 WeakPolarHBondContact O-CG2 3.38Å; M60-V64 PolarHBondContact O-N 3.47Å; N61-V64 PolarHBondContact O-N 3.39Å; S62-V64 PolarHBondContact O-N 2.85Å; V64-F68 VanDerWaalsContact O-CB 3.22Å; V64-F68 WeakPolarHBondContact O-CB 3.24Å; V64-F68 PolarHBondContact O-N 2.98Å
65	N	96	Very high	96.8	Very high	57 Å²	57	66.9 Å²	66.9	31%	0.305	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-44.9	176.5	-71.2	-57.5	0	0	0	112.3	F35 N61 S62 F63 V67 F68 D69	F35-N65 WeakPolarHBondContact CE2-OD1 3.34Å; N61-N65 PolarHBondContact ND2-ND2 2.91Å; N61-N65 PolarHBondContact O-N 3.4Å; N61-N65 VanDerWaalsContact O-N 3.1Å; N61-N65 PolarHBondContact O-ND2 2.85Å; S62-N65 PolarHBondContact O-N 3.48Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 2.99Å; N65-V67 PolarHBondContact O-N 3.38Å; N65-F68 WeakPolarHBondContact O-CB 3.43Å; N65-F68 PolarHBondContact O-N 3.4Å; N65-D69 PolarHBondContact O-N 3.07Å
66	D	96.7	Very high	96.9	Very high	69 Å²	69	62.4 Å²	62.4	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-46.4	178.1	179.1	27.5	0	0	0	111.5	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.31Å; F63-D66 PolarHBondContact O-N 2.83Å; D66-F68 PolarHBondContact O-N 3.01Å; D66-D69 PolarHBondContact O-N 2.99Å; D66-R70 VanDerWaalsContact O-CG 3.25Å; D66-R70 WeakPolarHBondContact O-CG 3.32Å; D66-R70 PolarHBondContact O-N 3.41Å; D66-R70 VanDerWaalsContact O-N 3.09Å; D66-R70 IonicContact OD1-CZ 3.42Å; D66-R70 IonicContact OD1-NE 3.53Å; D66-R70 PolarHBondContact OD1-NE 3.38Å; D66-R70 IonicContact OD1-NH2 2.76Å; D66-R70 PolarHBondContact OD1-NH2 3.17Å; D66-R70 VanDerWaalsContact OD1-NH2 3.14Å; D66-R70 IonicContact OD2-CZ 3.51Å; D66-R70 IonicContact OD2-NE 3.39Å; D66-R70 IonicContact OD2-NH2 2.72Å; D66-R70 PolarHBondContact OD2-NH2 2.85Å
67	V	96.3	Very high	96.9	Very high	41 Å²	41	66.7 Å²	66.7	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-65.2	-40.2	176.5	176.7	0	0	0	0	111.5	F63 N65 R70 I71	F63-V67 HydrophobicContact CD2-CG2 4.25Å; F63-V67 HydrophobicContact CE1-CG2 4.44Å; F63-V67 HydrophobicContact CE2-CG2 3.77Å; F63-V67 HydrophobicContact CZ-CG2 3.88Å; F63-V67 WeakPolarHBondContact O-CG2 3.33Å; F63-V67 PolarHBondContact O-N 2.92Å; F63-V67 VanDerWaalsContact O-N 3.08Å; N65-V67 PolarHBondContact O-N 3.38Å; V67-R70 PolarHBondContact O-N 3.26Å; V67-I71 HydrophobicContact CG1-CD1 3.77Å; V67-I71 HydrophobicContact CG1-CG1 4.44Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 2.96Å
68	F	96.2	Very high	96.9	Very high	118 Å²	118	66.4 Å²	66.4	52%	0.518	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-48.9	177.5	178.3	-89	0	0	0	111.8	V64 N65 D66 R70 I71 A72	V64-F68 VanDerWaalsContact O-CB 3.22Å; V64-F68 WeakPolarHBondContact O-CB 3.24Å; V64-F68 PolarHBondContact O-N 2.98Å; N65-F68 WeakPolarHBondContact O-CB 3.43Å; N65-F68 PolarHBondContact O-N 3.4Å; D66-F68 PolarHBondContact O-N 3.01Å; F68-R70 VanDerWaalsContact C-N 3.32Å; F68-R70 PolarHBondContact O-N 2.94Å; F68-I71 PolarHBondContact O-N 3.45Å; F68-A72 HydrophobicContact CE1-CB 4.5Å; F68-A72 WeakPolarHBondContact O-CB 3.48Å; F68-A72 PolarHBondContact O-N 2.94Å
69	D	96.8	Very high	97	Very high	101 Å²	101	63.2 Å²	63.2	54%	0.54	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-40.6	-179.6	-73.7	-19.9	0	0	0	111.2	N65 D66 A72 A73	N65-D69 PolarHBondContact O-N 3.07Å; D66-D69 PolarHBondContact O-N 2.99Å; D69-A72 PolarHBondContact O-N 3.04Å; D69-A73 VanDerWaalsContact O-CB 3.29Å; D69-A73 WeakPolarHBondContact O-CB 3.44Å; D69-A73 PolarHBondContact O-N 3.07Å
70	R	97.5	Very high	97	Very high	139 Å²	139	65 Å²	65	53%	0.525	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-47.1	174.1	-69.7	174.7	-164.3	-153.7	8	111.9	D66 V67 F68 A73 E74 L99	D66-R70 VanDerWaalsContact O-CG 3.25Å; D66-R70 WeakPolarHBondContact O-CG 3.32Å; D66-R70 PolarHBondContact O-N 3.41Å; D66-R70 VanDerWaalsContact O-N 3.09Å; D66-R70 IonicContact OD1-CZ 3.42Å; D66-R70 IonicContact OD1-NE 3.53Å; D66-R70 PolarHBondContact OD1-NE 3.38Å; D66-R70 IonicContact OD1-NH2 2.76Å; D66-R70 PolarHBondContact OD1-NH2 3.17Å; D66-R70 VanDerWaalsContact OD1-NH2 3.14Å; D66-R70 IonicContact OD2-CZ 3.51Å; D66-R70 IonicContact OD2-NE 3.39Å; D66-R70 IonicContact OD2-NH2 2.72Å; D66-R70 PolarHBondContact OD2-NH2 2.85Å; V67-R70 PolarHBondContact O-N 3.26Å; F68-R70 VanDerWaalsContact C-N 3.32Å; F68-R70 PolarHBondContact O-N 2.94Å; R70-A73 PolarHBondContact O-N 3.16Å; R70-E74 WeakPolarHBondContact O-CB 3.3Å; R70-E74 PolarHBondContact O-N 3.17Å; R70-L99 VanDerWaalsContact C-CD1 3.45Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.25Å; R70-L99 WeakPolarHBondContact O-CD1 3.17Å
71	I	97.3	Very high	97	Very high	31 Å²	31	68.9 Å²	68.9	16%	0.159	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-44.9	178.4	-67.9	165.2	0	0	0	110.6	V67 F68 A73 E74 A75 I92 A95 V96 L99	V67-I71 HydrophobicContact CG1-CD1 3.77Å; V67-I71 HydrophobicContact CG1-CG1 4.44Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.32Å; V67-I71 PolarHBondContact O-N 2.96Å; F68-I71 PolarHBondContact O-N 3.45Å; I71-A73 PolarHBondContact O-N 3.28Å; I71-E74 PolarHBondContact O-N 3.15Å; I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.4Å; I71-A75 PolarHBondContact O-N 3.1Å; I71-I92 HydrophobicContact CG2-CG2 4.36Å; I71-A95 HydrophobicContact CG2-CB 4.22Å; I71-V96 HydrophobicContact CD1-CG2 3.99Å; I71-V96 HydrophobicContact CG1-CG2 4.3Å; I71-V96 HydrophobicContact CG2-CG2 4.19Å; I71-L99 VanDerWaalsContact CA-CD1 3.43Å; I71-L99 HydrophobicContact CB-CD1 4.12Å; I71-L99 HydrophobicContact CG1-CD1 3.57Å
72	A	97.4	Very high	97	Very high	37 Å²	37	71.2 Å²	71.2	31%	0.306	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-43.9	179.1	0	0	0	0	0	111.6	F68 D69 A75 S76	F68-A72 HydrophobicContact CE1-CB 4.5Å; F68-A72 WeakPolarHBondContact O-CB 3.48Å; F68-A72 PolarHBondContact O-N 2.94Å; D69-A72 PolarHBondContact O-N 3.04Å; A72-A75 PolarHBondContact O-N 2.99Å; A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.11Å
73	A	97.9	Very high	96.9	Very high	50 Å²	50	74.9 Å²	74.9	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-42	177.7	0	0	0	0	0	112.5	D69 R70 I71 R77	D69-A73 VanDerWaalsContact O-CB 3.29Å; D69-A73 WeakPolarHBondContact O-CB 3.44Å; D69-A73 PolarHBondContact O-N 3.07Å; R70-A73 PolarHBondContact O-N 3.16Å; I71-A73 PolarHBondContact O-N 3.28Å; A73-R77 WeakPolarHBondContact O-CG 3.43Å; A73-R77 PolarHBondContact O-N 3.33Å
74	E	97.8	Very high	96.9	Very high	25 Å²	25	75.9 Å²	75.9	12%	0.117	37%	0.374	C	S	.	.	H	α-helix	trans	-67.3	-43.2	175.7	-169.9	66.4	-121.3	0	0	111.5	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.3Å; R70-E74 PolarHBondContact O-N 3.17Å; I71-E74 PolarHBondContact O-N 3.15Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 2.91Å; E74-R77 PolarHBondContact O-N 2.89Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 IonicContact OE1-CZ 3.86Å; E74-R77 IonicContact OE1-NH2 3.97Å; E74-R77 IonicContact OE2-CZ 3.17Å; E74-R77 IonicContact OE2-NE 3.99Å; E74-R77 IonicContact OE2-NH1 3.14Å; E74-R77 IonicContact OE2-NH2 2.59Å; E74-R77 PolarHBondContact OE2-NH2 3.43Å; E74-L78 HydrophobicContact CG-CD1 4.5Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 3.44Å; E74-A95 HydrophobicContact CB-CB 3.8Å; E74-A95 HydrophobicContact CG-CB 3.82Å; E74-L98 HydrophobicContact CG-CB 4.32Å; E74-L98 HydrophobicContact CG-CD1 3.94Å; E74-L99 HydrophobicContact CB-CD1 4.11Å; E74-L99 HydrophobicContact CB-CG 4.45Å
75	A	97.9	Very high	96.8	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-63.6	-37.2	176.8	0	0	0	0	0	112.3	I71 A72 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.4Å; I71-A75 PolarHBondContact O-N 3.1Å; A72-A75 PolarHBondContact O-N 2.99Å; A75-L78 PolarHBondContact O-N 2.93Å; A75-A79 PolarHBondContact O-N 2.93Å; A75-I87 HydrophobicContact CB-CG2 3.93Å; A75-E91 HydrophobicContact CB-CB 4.28Å; A75-I92 HydrophobicContact CB-CD1 3.66Å; A75-A95 HydrophobicContact CB-CB 4.01Å
76	S	97.5	Very high	96.9	Very high	66 Å²	66	85.6 Å²	85.6	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-63.9	-42.5	172.9	-171.9	0	0	0	0	111.8	A72 E74 A79 H80	A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.11Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 2.91Å; S76-A79 PolarHBondContact O-N 3.47Å; S76-H80 WeakPolarHBondContact O-CB 3.31Å; S76-H80 PolarHBondContact O-N 3.18Å
77	R	97.5	Very high	96.8	Very high	123 Å²	123	85.9 Å²	85.9	46%	0.464	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-43.7	174.8	-78.6	-175.9	-76.3	157.6	-2.5	111.5	A73 E74 A79 H80 Y81	A73-R77 WeakPolarHBondContact O-CG 3.43Å; A73-R77 PolarHBondContact O-N 3.33Å; E74-R77 PolarHBondContact O-N 2.89Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 IonicContact OE1-CZ 3.86Å; E74-R77 IonicContact OE1-NH2 3.97Å; E74-R77 IonicContact OE2-CZ 3.17Å; E74-R77 IonicContact OE2-NE 3.99Å; E74-R77 IonicContact OE2-NH1 3.14Å; E74-R77 IonicContact OE2-NH2 2.59Å; E74-R77 PolarHBondContact OE2-NH2 3.43Å; R77-A79 PolarHBondContact O-N 3.11Å; R77-H80 WeakPolarHBondContact O-CB 3.43Å; R77-H80 PolarHBondContact O-N 2.91Å; R77-Y81 HydrophobicContact CB-CE2 4.3Å; R77-Y81 VanDerWaalsContact O-CD2 3.22Å; R77-Y81 WeakPolarHBondContact O-CD2 3.48Å; R77-Y81 PolarHBondContact O-N 3.37Å
78	L	97.6	Very high	96.7	Very high	26 Å²	26	85.7 Å²	85.7	14%	0.136	42%	0.423	C	S	.	.	H	α-helix	trans	-62.6	-41.4	176.4	-70.1	170.7	0	0	0	112.8	E74 A75 H80 Y81 N82 E91 T94 A95 L98	E74-L78 HydrophobicContact CG-CD1 4.5Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 3.44Å; A75-L78 PolarHBondContact O-N 2.93Å; L78-H80 VanDerWaalsContact C-N 3.32Å; L78-Y81 PolarHBondContact O-N 3.41Å; L78-N82 PolarHBondContact O-N 3Å; L78-N82 VanDerWaalsContact O-N 3.13Å; L78-N82 PolarHBondContact O-ND2 2.9Å; L78-N82 VanDerWaalsContact O-ND2 3.14Å; L78-E91 HydrophobicContact CB-CB 4.22Å; L78-E91 HydrophobicContact CB-CG 3.91Å; L78-E91 WeakPolarHBondContact CD1-O 3.29Å; L78-T94 HydrophobicContact CD1-CG2 3.72Å; L78-T94 HydrophobicContact CD2-CG2 4.26Å; L78-A95 HydrophobicContact CD1-CB 4.13Å; L78-L98 HydrophobicContact CD1-CD1 4.23Å; L78-L98 HydrophobicContact CD2-CD1 4.21Å
79	A	97.4	Very high	96.5	Very high	5 Å²	5	84.2 Å²	84.2	4%	0.041	43%	0.427	C	S	.	.	H	α-helix	trans	-62.8	-42	175.1	0	0	0	0	0	111.3	A75 S76 R77 N82 N83 R84 I87 E91	A75-A79 PolarHBondContact O-N 2.93Å; S76-A79 PolarHBondContact O-N 3.47Å; R77-A79 PolarHBondContact O-N 3.11Å; A79-N82 CarbonylContact O-C 3.59Å; A79-N82 PolarHBondContact O-N 3.14Å; A79-N83 PolarHBondContact O-N 3.37Å; A79-R84 PolarHBondContact O-N 3.36Å; A79-I87 HydrophobicContact CB-CG1 3.93Å; A79-E91 HydrophobicContact CB-CG 4.22Å
80	H	96.6	Very high	96.3	Very high	140 Å²	140	86.9 Å²	86.9	65%	0.648	43%	0.43	S	S	*	.	H	α-helix	trans	-62.6	-46.3	176.5	-172.4	65.4	0	0	0	112.2	S76 R77 L78 N82 N83	S76-H80 WeakPolarHBondContact O-CB 3.31Å; S76-H80 PolarHBondContact O-N 3.18Å; R77-H80 WeakPolarHBondContact O-CB 3.43Å; R77-H80 PolarHBondContact O-N 2.91Å; L78-H80 VanDerWaalsContact C-N 3.32Å; H80-N82 PolarHBondContact O-N 3.48Å; H80-N83 PolarHBondContact O-N 3.48Å
81	Y	96.4	Very high	96.2	Very high	162 Å²	162	80.4 Å²	80.4	64%	0.635	41%	0.406	S	S	*	.	H	α-helix	trans	-60.6	-30.5	176.1	-68.5	-42.2	0	0	0	113.4	R77 L78 N83	R77-Y81 HydrophobicContact CB-CE2 4.3Å; R77-Y81 VanDerWaalsContact O-CD2 3.22Å; R77-Y81 WeakPolarHBondContact O-CD2 3.48Å; R77-Y81 PolarHBondContact O-N 3.37Å; L78-Y81 PolarHBondContact O-N 3.41Å; Y81-N83 VanDerWaalsContact C-N 3.28Å; Y81-N83 PolarHBondContact O-N 2.86Å
82	N	95.9	Very high	96.1	Very high	76 Å²	76	82.2 Å²	82.2	41%	0.406	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	7.8	176.7	-68.5	-36.4	0	0	0	113.5	L78 A79 H80 R84	L78-N82 PolarHBondContact O-N 3Å; L78-N82 VanDerWaalsContact O-N 3.13Å; L78-N82 PolarHBondContact O-ND2 2.9Å; L78-N82 VanDerWaalsContact O-ND2 3.14Å; A79-N82 CarbonylContact O-C 3.59Å; A79-N82 PolarHBondContact O-N 3.14Å; H80-N82 PolarHBondContact O-N 3.48Å; N82-R84 HydrophobicContact CB-CG 4.21Å; N82-R84 PolarHBondContact O-N 3.42Å
83	N	96	Very high	96	Very high	148 Å²	148	83.5 Å²	83.5	79%	0.791	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.3	-174.1	-59.9	-62.3	0	0	0	113	A79 H80 Y81	A79-N83 PolarHBondContact O-N 3.37Å; H80-N83 PolarHBondContact O-N 3.48Å; Y81-N83 VanDerWaalsContact C-N 3.28Å; Y81-N83 PolarHBondContact O-N 2.86Å
84	R	95.7	Very high	95.9	Very high	137 Å²	137	83.2 Å²	83.2	52%	0.517	41%	0.408	S	S	.	.			trans	-109.1	138.4	178.5	-67.7	-171.4	173.2	-159.2	-4.8	110.8	A79 N82 T86	A79-R84 PolarHBondContact O-N 3.36Å; N82-R84 HydrophobicContact CB-CG 4.21Å; N82-R84 PolarHBondContact O-N 3.42Å; R84-T86 VanDerWaalsContact C-N 3.33Å
85	H	95.1	Very high	95.9	Very high	197 Å²	197	82 Å²	82	91%	0.912	40%	0.402	S	S	*	.	S	Bend	trans	-89.3	0.3	172.6	-59.8	-68.6	0	0	0	113.2
86	T	96.6	Very high	95.9	Very high	106 Å²	106	82.8 Å²	82.8	65%	0.65	41%	0.407	S	S	*	.	S	Bend	trans	-130.7	125.9	-176.8	-51.9	0	0	0	0	109.8	R84	R84-T86 VanDerWaalsContact C-N 3.33Å
87	I	96.4	Very high	95.8	Very high	75 Å²	75	86 Å²	86	39%	0.385	41%	0.409	S	S	.	.			trans	-78.6	118.7	172.8	-60.4	173.2	0	0	0	107.9	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.93Å; A79-I87 HydrophobicContact CB-CG1 3.93Å; I87-E91 HydrophobicContact CG2-CB 4Å; I87-I92 HydrophobicContact CG2-CD1 3.79Å; I87-I92 HydrophobicContact CG2-CG1 3.95Å
88	S	93.8	Very high	95.8	Very high	38 Å²	38	85.1 Å²	85.1	27%	0.266	41%	0.413	S	S	.	.			trans	-96.7	174.1	174.8	82	0	0	0	0	111.4	R90 E91 I92	S88-R90 PolarHBondContact O-N 2.85Å; S88-R90 VanDerWaalsContact O-N 3.14Å; S88-R90 WeakPolarHBondContact OG-CB 3.29Å; S88-R90 PolarHBondContact OG-N 3.42Å; S88-E91 VanDerWaalsContact CA-OE2 3.3Å; S88-E91 WeakPolarHBondContact CA-OE2 3.22Å; S88-E91 WeakPolarHBondContact CB-OE2 3.41Å; S88-E91 PolarHBondContact N-OE2 3.4Å; S88-E91 PolarHBondContact O-N 3.2Å; S88-E91 PolarHBondContact OG-OE2 3.5Å; S88-I92 PolarHBondContact O-N 3.12Å
89	S	91.8	Very high	95.7	Very high	86 Å²	86	86.7 Å²	86.7	60%	0.601	42%	0.421	S	S	*	.	H	α-helix	trans	-57	-26.7	172.9	55.6	0	0	0	0	112.7	I92 Q93	S89-I92 PolarHBondContact O-N 3.4Å; S89-Q93 WeakPolarHBondContact O-CB 3.47Å; S89-Q93 VanDerWaalsContact O-CG 3.25Å; S89-Q93 WeakPolarHBondContact O-CG 3.46Å; S89-Q93 PolarHBondContact O-N 3.02Å
90	R	92.8	Very high	95.6	Very high	158 Å²	158	88.2 Å²	88.2	60%	0.596	43%	0.428	S	S	*	.	H	α-helix	trans	-68.3	-43.3	178.5	-172.2	179.8	-178.3	-132.1	3	112.5	S88 I92 Q93 T94	S88-R90 PolarHBondContact O-N 2.85Å; S88-R90 VanDerWaalsContact O-N 3.14Å; S88-R90 WeakPolarHBondContact OG-CB 3.29Å; S88-R90 PolarHBondContact OG-N 3.42Å; R90-I92 VanDerWaalsContact C-N 3.35Å; R90-Q93 PolarHBondContact O-N 3.46Å; R90-T94 WeakPolarHBondContact O-CB 3.48Å; R90-T94 PolarHBondContact O-N 3.27Å; R90-T94 PolarHBondContact O-OG1 3.12Å
91	E	95.1	Very high	95.6	Very high	3 Å²	3	86.2 Å²	86.2	1%	0.014	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-41.2	176.5	-73.6	74.2	-150.8	0	0	110.5	A75 L78 A79 I87 S88 T94 A95	A75-E91 HydrophobicContact CB-CB 4.28Å; L78-E91 HydrophobicContact CB-CB 4.22Å; L78-E91 HydrophobicContact CB-CG 3.91Å; L78-E91 WeakPolarHBondContact CD1-O 3.29Å; A79-E91 HydrophobicContact CB-CG 4.22Å; I87-E91 HydrophobicContact CG2-CB 4Å; S88-E91 VanDerWaalsContact CA-OE2 3.3Å; S88-E91 WeakPolarHBondContact CA-OE2 3.22Å; S88-E91 WeakPolarHBondContact CB-OE2 3.41Å; S88-E91 PolarHBondContact N-OE2 3.4Å; S88-E91 PolarHBondContact O-N 3.2Å; S88-E91 PolarHBondContact OG-OE2 3.5Å; E91-T94 PolarHBondContact O-N 2.99Å; E91-A95 VanDerWaalsContact O-CB 3.24Å; E91-A95 WeakPolarHBondContact O-CB 3.39Å; E91-A95 PolarHBondContact O-N 3.04Å
92	I	96.1	Very high	95.5	Very high	69 Å²	69	81.1 Å²	81.1	35%	0.354	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-48.8	176	-59.1	-67.9	0	0	0	111.2	I71 A75 I87 S88 S89 R90 T94 A95 V96	I71-I92 HydrophobicContact CG2-CG2 4.36Å; A75-I92 HydrophobicContact CB-CD1 3.66Å; I87-I92 HydrophobicContact CG2-CD1 3.79Å; I87-I92 HydrophobicContact CG2-CG1 3.95Å; S88-I92 PolarHBondContact O-N 3.12Å; S89-I92 PolarHBondContact O-N 3.4Å; R90-I92 VanDerWaalsContact C-N 3.35Å; I92-T94 VanDerWaalsContact C-N 3.32Å; I92-T94 PolarHBondContact O-N 3.48Å; I92-A95 PolarHBondContact O-N 3.48Å; I92-V96 WeakPolarHBondContact O-CG2 3.49Å; I92-V96 PolarHBondContact O-N 3.08Å
93	Q	94.9	Very high	95.5	Very high	63 Å²	63	82.6 Å²	82.6	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-40.6	178.7	-74.4	175.8	10.3	0	0	112.2	S89 R90 V96 R97 V109	S89-Q93 WeakPolarHBondContact O-CB 3.47Å; S89-Q93 VanDerWaalsContact O-CG 3.25Å; S89-Q93 WeakPolarHBondContact O-CG 3.46Å; S89-Q93 PolarHBondContact O-N 3.02Å; R90-Q93 PolarHBondContact O-N 3.46Å; Q93-V96 PolarHBondContact O-N 3.14Å; Q93-R97 WeakPolarHBondContact O-CG 3.49Å; Q93-R97 PolarHBondContact O-N 2.59Å; Q93-R97 VanDerWaalsContact O-N 3.17Å; Q93-V109 HydrophobicContact CG-CG1 4.45Å
94	T	96.1	Very high	95.4	Very high	44 Å²	44	80.2 Å²	80.2	27%	0.27	42%	0.415	S	S	.	.	H	α-helix	trans	-67.6	-43	177.4	-54.1	0	0	0	0	111.1	L78 R90 E91 I92 V96 R97 L98	L78-T94 HydrophobicContact CD1-CG2 3.72Å; L78-T94 HydrophobicContact CD2-CG2 4.26Å; R90-T94 WeakPolarHBondContact O-CB 3.48Å; R90-T94 PolarHBondContact O-N 3.27Å; R90-T94 PolarHBondContact O-OG1 3.12Å; E91-T94 PolarHBondContact O-N 2.99Å; I92-T94 VanDerWaalsContact C-N 3.32Å; I92-T94 PolarHBondContact O-N 3.48Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3.27Å; T94-R97 WeakPolarHBondContact O-CB 3.34Å; T94-R97 PolarHBondContact O-N 2.7Å; T94-L98 HydrophobicContact CG2-CD1 4.36Å; T94-L98 WeakPolarHBondContact O-CG 3.24Å; T94-L98 PolarHBondContact O-N 3Å
95	A	97.1	Very high	95.4	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-56.8	-43.9	174.7	0	0	0	0	0	112.2	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.22Å; E74-A95 HydrophobicContact CB-CB 3.8Å; E74-A95 HydrophobicContact CG-CB 3.82Å; A75-A95 HydrophobicContact CB-CB 4.01Å; L78-A95 HydrophobicContact CD1-CB 4.13Å; E91-A95 VanDerWaalsContact O-CB 3.24Å; E91-A95 WeakPolarHBondContact O-CB 3.39Å; E91-A95 PolarHBondContact O-N 3.04Å; I92-A95 PolarHBondContact O-N 3.48Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.18Å; A95-L98 PolarHBondContact O-N 3.41Å; A95-L99 WeakPolarHBondContact O-CG 3.21Å; A95-L99 PolarHBondContact O-N 3.23Å
96	V	97.1	Very high	95.4	Very high	17 Å²	17	71.2 Å²	71.2	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-41	175.3	171.1	0	0	0	0	111.6	I71 I92 Q93 T94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 3.99Å; I71-V96 HydrophobicContact CG1-CG2 4.3Å; I71-V96 HydrophobicContact CG2-CG2 4.19Å; I92-V96 WeakPolarHBondContact O-CG2 3.49Å; I92-V96 PolarHBondContact O-N 3.08Å; Q93-V96 PolarHBondContact O-N 3.14Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3.27Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 3.07Å; V96-L99 PolarHBondContact O-N 2.72Å; V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.43Å; V96-L100 WeakPolarHBondContact O-CB 3.44Å; V96-L100 PolarHBondContact O-N 3.29Å; V96-A108 HydrophobicContact CG1-CB 3.6Å; V96-V109 HydrophobicContact CB-CG2 4.39Å; V96-V109 HydrophobicContact CG1-CG2 3.99Å
97	R	96	Very high	95.4	Very high	133 Å²	133	71.6 Å²	71.6	50%	0.502	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-30.4	176.7	-69.2	178.2	-175.8	130.5	-2.5	113.4	Q93 T94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.49Å; Q93-R97 PolarHBondContact O-N 2.59Å; Q93-R97 VanDerWaalsContact O-N 3.17Å; T94-R97 WeakPolarHBondContact O-CB 3.34Å; T94-R97 PolarHBondContact O-N 2.7Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.18Å; R97-V109 HydrophobicContact CG-CG2 3.85Å
98	L	96.7	Very high	95.4	Very high	104 Å²	104	69.6 Å²	69.6	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-76.7	-36.3	177.4	-68.8	173.9	0	0	0	112.2	E74 L78 T94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.32Å; E74-L98 HydrophobicContact CG-CD1 3.94Å; L78-L98 HydrophobicContact CD1-CD1 4.23Å; L78-L98 HydrophobicContact CD2-CD1 4.21Å; T94-L98 HydrophobicContact CG2-CD1 4.36Å; T94-L98 WeakPolarHBondContact O-CG 3.24Å; T94-L98 PolarHBondContact O-N 3Å; A95-L98 PolarHBondContact O-N 3.41Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 3.07Å
99	L	96.5	Very high	95.4	Very high	60 Å²	60	68.6 Å²	68.6	31%	0.314	36%	0.361	S	S	.	.	H	α-helix	trans	-86.4	-32.3	-174.8	-69.4	168.2	0	0	0	114	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.45Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.25Å; R70-L99 WeakPolarHBondContact O-CD1 3.17Å; I71-L99 VanDerWaalsContact CA-CD1 3.43Å; I71-L99 HydrophobicContact CB-CD1 4.12Å; I71-L99 HydrophobicContact CG1-CD1 3.57Å; E74-L99 HydrophobicContact CB-CD1 4.11Å; E74-L99 HydrophobicContact CB-CG 4.45Å; A95-L99 WeakPolarHBondContact O-CG 3.21Å; A95-L99 PolarHBondContact O-N 3.23Å; V96-L99 PolarHBondContact O-N 2.72Å
100	L	95.3	Very high	95.6	Very high	36 Å²	36	67 Å²	67	19%	0.188	35%	0.35	C	S	.	.	S	Bend	trans	-102.9	130.6	-175.9	-55.9	-177.2	0	0	0	110.5	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.43Å; V96-L100 WeakPolarHBondContact O-CB 3.44Å; V96-L100 PolarHBondContact O-N 3.29Å; L100-L104 HydrophobicContact CB-CB 4.33Å; L100-L104 HydrophobicContact CB-CD2 4.13Å; L100-L104 HydrophobicContact CB-CG 4.05Å; L100-L104 HydrophobicContact CD1-CD2 4.35Å; L100-L104 HydrophobicContact CD1-CG 4.04Å; L100-L104 HydrophobicContact CD2-CD2 3.89Å; L100-L104 HydrophobicContact CD2-CG 4.45Å; L100-L104 HydrophobicContact CG-CD2 4.34Å; L100-L104 HydrophobicContact CG-CG 4.4Å; L100-S105 WeakPolarHBondContact O-CB 3.37Å; L100-A108 HydrophobicContact CD1-CB 3.67Å
101	P	95.6	Very high	95.6	Very high	99 Å²	99	64.3 Å²	64.3	64%	0.643	34%	0.344	S	S	*	.			trans	-80.6	150.2	-178.9	30.9	-35.1	0	0	0	113	E103 L104	P101-E103 PolarHBondContact O-N 3.49Å; P101-L104 WeakPolarHBondContact O-CB 3.39Å; P101-L104 PolarHBondContact O-N 3.23Å; P101-L104 VanDerWaalsContact O-N 3.14Å
102	G	95	Very high	95.5	Very high	54 Å²	54	65.9 Å²	65.9	56%	0.557	36%	0.361	S	S	*	.	H	α-helix	trans	51.8	-130.9	162.8	0	0	0	0	0	114.8	L104 S105	G102-L104 PolarHBondContact O-N 3.39Å; G102-S105 PolarHBondContact O-N 3.1Å; G102-S105 PolarHBondContact O-OG 2.81Å
103	E	95.5	Very high	95.4	Very high	107 Å²	107	65.7 Å²	65.7	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-32.4	-179.3	-68.2	-55.7	122.8	0	0	112.9	P101 S105 K106 H107	P101-E103 PolarHBondContact O-N 3.49Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.01Å; E103-K106 WeakPolarHBondContact O-CB 3.45Å; E103-K106 PolarHBondContact O-N 3.11Å; E103-K106 IonicContact OE1-NZ 2.79Å; E103-K106 PolarHBondContact OE1-NZ 2.77Å; E103-H107 PolarHBondContact O-CD2 2.82Å; E103-H107 PolarHBondContact O-N 2.73Å
104	L	95.4	Very high	95.2	Very high	98 Å²	98	68.2 Å²	68.2	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-38.6	-179.5	-172.4	61.6	0	0	0	111.8	L100 P101 G102 A108	L100-L104 HydrophobicContact CB-CB 4.33Å; L100-L104 HydrophobicContact CB-CD2 4.13Å; L100-L104 HydrophobicContact CB-CG 4.05Å; L100-L104 HydrophobicContact CD1-CD2 4.35Å; L100-L104 HydrophobicContact CD1-CG 4.04Å; L100-L104 HydrophobicContact CD2-CD2 3.89Å; L100-L104 HydrophobicContact CD2-CG 4.45Å; L100-L104 HydrophobicContact CG-CD2 4.34Å; L100-L104 HydrophobicContact CG-CG 4.4Å; P101-L104 WeakPolarHBondContact O-CB 3.39Å; P101-L104 PolarHBondContact O-N 3.23Å; P101-L104 VanDerWaalsContact O-N 3.14Å; G102-L104 PolarHBondContact O-N 3.39Å; L104-A108 VanDerWaalsContact O-CB 3.24Å; L104-A108 WeakPolarHBondContact O-CB 3.44Å; L104-A108 PolarHBondContact O-N 2.94Å
105	S	95.1	Very high	95	Very high	20 Å²	20	68.7 Å²	68.7	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-42.3	174.6	71.5	0	0	0	0	112.6	L100 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.37Å; G102-S105 PolarHBondContact O-N 3.1Å; G102-S105 PolarHBondContact O-OG 2.81Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.01Å; S105-A108 PolarHBondContact O-N 3Å; S105-V109 WeakPolarHBondContact O-CB 3.36Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.37Å; S105-V109 PolarHBondContact O-N 3.49Å
106	K	95.5	Very high	94.6	Very high	126 Å²	126	73 Å²	73	55%	0.548	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-47.2	-179	-62.9	-179.9	-174.5	167.4	0	110.3	E103 S110	E103-K106 WeakPolarHBondContact O-CB 3.45Å; E103-K106 PolarHBondContact O-N 3.11Å; E103-K106 IonicContact OE1-NZ 2.79Å; E103-K106 PolarHBondContact OE1-NZ 2.77Å; K106-S110 WeakPolarHBondContact O-CB 3.46Å; K106-S110 PolarHBondContact O-N 3.33Å
107	H	96.1	Very high	94.4	Very high	113 Å²	113	76.4 Å²	76.4	52%	0.523	43%	0.429	S	S	.	.	H	α-helix	trans	-62.1	-49.2	176.1	-73.6	-72.5	0	0	0	111.4	E103 V109 S110 E111	E103-H107 PolarHBondContact O-CD2 2.82Å; E103-H107 PolarHBondContact O-N 2.73Å; H107-V109 PolarHBondContact O-N 3.43Å; H107-S110 PolarHBondContact O-N 2.94Å; H107-E111 WeakPolarHBondContact O-CB 3.25Å; H107-E111 WeakPolarHBondContact O-CG 3.47Å; H107-E111 PolarHBondContact O-N 3.43Å
108	A	95.4	Very high	94.2	Very high	33 Å²	33	77.8 Å²	77.8	27%	0.273	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-43.6	-178	0	0	0	0	0	112.9	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.6Å; L100-A108 HydrophobicContact CD1-CB 3.67Å; L104-A108 VanDerWaalsContact O-CB 3.24Å; L104-A108 WeakPolarHBondContact O-CB 3.44Å; L104-A108 PolarHBondContact O-N 2.94Å; S105-A108 PolarHBondContact O-N 3Å; A108-G112 PolarHBondContact O-N 3.43Å
109	V	94.8	Very high	94	Very high	17 Å²	17	81.9 Å²	81.9	10%	0.103	45%	0.448	C	S	.	.	H	α-helix	trans	-69.5	-40.5	177.6	174.8	0	0	0	0	111.7	Q93 V96 R97 S105 H107 G112 T113	Q93-V109 HydrophobicContact CG-CG1 4.45Å; V96-V109 HydrophobicContact CB-CG2 4.39Å; V96-V109 HydrophobicContact CG1-CG2 3.99Å; R97-V109 HydrophobicContact CG-CG2 3.85Å; S105-V109 WeakPolarHBondContact O-CB 3.36Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.37Å; S105-V109 PolarHBondContact O-N 3.49Å; H107-V109 PolarHBondContact O-N 3.43Å; V109-G112 PolarHBondContact O-N 3.34Å; V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 PolarHBondContact O-N 3.08Å; V109-T113 PolarHBondContact O-OG1 2.77Å
110	S	94.9	Very high	93.8	Very high	53 Å²	53	83.7 Å²	83.7	37%	0.371	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-50.7	177.6	-176	0	0	0	0	111.4	K106 H107 G112 T113 K114	K106-S110 WeakPolarHBondContact O-CB 3.46Å; K106-S110 PolarHBondContact O-N 3.33Å; H107-S110 PolarHBondContact O-N 2.94Å; S110-G112 PolarHBondContact O-N 3.23Å; S110-T113 PolarHBondContact O-N 3.09Å; S110-K114 WeakPolarHBondContact O-CG 3.43Å; S110-K114 PolarHBondContact O-N 3.44Å
111	E	94.1	Very high	93.7	Very high	102 Å²	102	86.5 Å²	86.5	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-40.1	177.4	-67.6	-52.5	124.6	0	0	111.8	H107 T113 K114 A115	H107-E111 WeakPolarHBondContact O-CB 3.25Å; H107-E111 WeakPolarHBondContact O-CG 3.47Å; H107-E111 PolarHBondContact O-N 3.43Å; E111-T113 VanDerWaalsContact C-N 3.35Å; E111-T113 PolarHBondContact O-N 3.26Å; E111-K114 PolarHBondContact O-N 3.27Å; E111-K114 IonicContact OE1-NZ 2.76Å; E111-K114 PolarHBondContact OE1-NZ 3.38Å; E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.87Å
112	G	93.1	Very high	93.5	Very high	36 Å²	36	85.9 Å²	85.9	37%	0.371	49%	0.487	S	S	.	.	H	α-helix	trans	-59.4	-44	174.4	0	0	0	0	0	112.6	A108 V109 S110 A115 V116	A108-G112 PolarHBondContact O-N 3.43Å; V109-G112 PolarHBondContact O-N 3.34Å; S110-G112 PolarHBondContact O-N 3.23Å; G112-A115 PolarHBondContact O-N 2.99Å; G112-V116 WeakPolarHBondContact O-CG2 3.36Å; G112-V116 PolarHBondContact O-N 3.22Å
113	T	92.4	Very high	92.1	Very high	65 Å²	65	95 Å²	95	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-44.7	178.7	-53.7	0	0	0	0	111.4	V109 S110 E111 A115 V116 T117	V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 PolarHBondContact O-N 3.08Å; V109-T113 PolarHBondContact O-OG1 2.77Å; S110-T113 PolarHBondContact O-N 3.09Å; E111-T113 VanDerWaalsContact C-N 3.35Å; E111-T113 PolarHBondContact O-N 3.26Å; T113-A115 VanDerWaalsContact C-N 3.29Å; T113-A115 PolarHBondContact O-N 3.29Å; T113-V116 PolarHBondContact O-N 3.4Å; T113-T117 PolarHBondContact O-N 3.47Å; T113-T117 PolarHBondContact O-OG1 3.42Å
114	K	92.7	Very high	91.9	Very high	115 Å²	115	94.4 Å²	94.4	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-58.9	-41.7	174.3	-68.2	174	-167.7	169.2	0	111.7	S110 E111 T117 K118	S110-K114 WeakPolarHBondContact O-CG 3.43Å; S110-K114 PolarHBondContact O-N 3.44Å; E111-K114 PolarHBondContact O-N 3.27Å; E111-K114 IonicContact OE1-NZ 2.76Å; E111-K114 PolarHBondContact OE1-NZ 3.38Å; K114-T117 PolarHBondContact O-N 2.93Å; K114-K118 PolarHBondContact O-N 3.48Å
115	A	90.8	Very high	91.7	Very high	55 Å²	55	94.2 Å²	94.2	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-40	179.1	0	0	0	0	0	112.2	E111 G112 T113 K118 Y119	E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.87Å; G112-A115 PolarHBondContact O-N 2.99Å; T113-A115 VanDerWaalsContact C-N 3.29Å; T113-A115 PolarHBondContact O-N 3.29Å; A115-K118 PolarHBondContact O-N 2.98Å; A115-Y119 WeakPolarHBondContact O-CB 3.33Å; A115-Y119 PolarHBondContact O-N 3.21Å
116	V	89.9	Confident	91.5	Very high	91 Å²	91	98.3 Å²	98.3	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-43.8	176	172	0	0	0	0	111.3	G112 T113 Y119 T120	G112-V116 WeakPolarHBondContact O-CG2 3.36Å; G112-V116 PolarHBondContact O-N 3.22Å; T113-V116 PolarHBondContact O-N 3.4Å; V116-Y119 PolarHBondContact O-N 3.03Å; V116-T120 PolarHBondContact O-N 3.37Å; V116-T120 PolarHBondContact O-OG1 2.9Å
117	T	91.2	Very high	91.3	Very high	88 Å²	88	96.7 Å²	96.7	54%	0.54	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-50	175.2	-56	0	0	0	0	110.9	T113 K114 Y119 T120 S121	T113-T117 PolarHBondContact O-N 3.47Å; T113-T117 PolarHBondContact O-OG1 3.42Å; K114-T117 PolarHBondContact O-N 2.93Å; T117-Y119 VanDerWaalsContact C-N 3.32Å; T117-Y119 PolarHBondContact O-N 3.22Å; T117-T120 PolarHBondContact O-N 3.22Å; T117-S121 PolarHBondContact O-N 2.87Å; T117-S121 PolarHBondContact O-OG 2.79Å
118	K	93.2	Very high	91	Very high	162 Å²	162	95.7 Å²	95.7	70%	0.704	53%	0.533	S	S	*	.	H	α-helix	trans	-59.5	-41.4	178.5	-177.1	177.3	-179.5	175.7	0	112.5	K114 A115 T120 S121 A122	K114-K118 PolarHBondContact O-N 3.48Å; A115-K118 PolarHBondContact O-N 2.98Å; K118-T120 VanDerWaalsContact C-N 3.33Å; K118-S121 PolarHBondContact O-N 3.14Å; K118-A122 VanDerWaalsContact O-CB 3.32Å; K118-A122 WeakPolarHBondContact O-CB 3.38Å; K118-A122 PolarHBondContact O-N 2.76Å; K118-A122 VanDerWaalsContact O-N 3.08Å
119	Y	90.9	Very high	90.7	Very high	190 Å²	190	99.9 Å²	99.9	75%	0.745	55%	0.55	S	S	*	*	H	α-helix	trans	-62.6	-42.5	178.5	-178.8	-98.4	0	0	0	111.6	A115 V116 T117 A122	A115-Y119 WeakPolarHBondContact O-CB 3.33Å; A115-Y119 PolarHBondContact O-N 3.21Å; V116-Y119 PolarHBondContact O-N 3.03Å; T117-Y119 VanDerWaalsContact C-N 3.32Å; T117-Y119 PolarHBondContact O-N 3.22Å; Y119-A122 PolarHBondContact O-N 3.14Å
120	T	93.2	Very high	90.4	Very high	98 Å²	98	105.8 Å²	105.8	60%	0.601	58%	0.582	S	S	*	*	H	α-helix	trans	-67	-37.8	178.9	-52.6	0	0	0	0	111.8	V116 T117 K118	V116-T120 PolarHBondContact O-N 3.37Å; V116-T120 PolarHBondContact O-OG1 2.9Å; T117-T120 PolarHBondContact O-N 3.22Å; K118-T120 VanDerWaalsContact C-N 3.33Å
121	S	93.8	Very high	90.1	Very high	95 Å²	95	109.8 Å²	109.8	66%	0.664	60%	0.598	S	S	*	*	H	α-helix	trans	-78.2	-17.7	179.4	-58.3	0	0	0	0	115	T117 K118 K123	T117-S121 PolarHBondContact O-N 2.87Å; T117-S121 PolarHBondContact O-OG 2.79Å; K118-S121 PolarHBondContact O-N 3.14Å; S121-K123 VanDerWaalsContact C-N 3.31Å
122	A	90.5	Very high	89.7	Confident	85 Å²	85	110.5 Å²	110.5	70%	0.702	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	1.1	-177	0	0	0	0	0	113.9	K118 Y119	K118-A122 VanDerWaalsContact O-CB 3.32Å; K118-A122 WeakPolarHBondContact O-CB 3.38Å; K118-A122 PolarHBondContact O-N 2.76Å; K118-A122 VanDerWaalsContact O-N 3.08Å; Y119-A122 PolarHBondContact O-N 3.14Å
123	K	65.1	Low	89.4	Confident	246 Å²	246	117.3 Å²	117.3	100%	1.07	63%	0.63	S	S	*	*			trans	-101.2	0	176.9	-170.9	179.7	-178.7	-177.6	0	110.3	S121	S121-K123 VanDerWaalsContact C-N 3.31Å

Retrieved 123 of 123 residues in 164.4 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).