A0A077ZM90_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 A0A077ZM90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZM90_TRITR|A0A077ZM90
MAGKAVLKGVKKAGKAQKVTKGGDKKRRKSRKESFATYIYKVLKQVHPDTGISSKAMSIMNSFVNDVFDRIGAEASRLAHYNNRHTISSREIQTAVRLLLPGELSKHAVSEGTKAVTKYTSAK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.8	Very low	47.8	Very low	248 Å²	248	148.5 Å²	148.5	100%	1.222	87%	0.869	S	S	*	*				0	122.1	0	-70.2	-100.8	-134	0	0	107.9
2	A	46.1	Very low	47.7	Very low	106 Å²	106	153 Å²	153	88%	0.876	87%	0.87	S	S	*	*			trans	-55.8	151.4	-175.3	0	0	0	0	0	113
3	G	43	Very low	47.8	Very low	70 Å²	70	148.9 Å²	148.9	72%	0.722	87%	0.867	S	S	*	*			cis	104.1	92.2	22.2	0	0	0	0	0	110.8
4	K	48.5	Very low	47.8	Very low	206 Å²	206	143.7 Å²	143.7	90%	0.896	86%	0.861	S	S	*	*			trans	179.9	102.6	144.1	-106.6	171.3	179.5	177	0	112.1
5	A	46.7	Very low	47.8	Very low	99 Å²	99	147.9 Å²	147.9	82%	0.818	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-81.3	131.6	157.1	0	0	0	0	0	108.8
6	V	53.7	Low	47.9	Very low	144 Å²	144	144.9 Å²	144.9	87%	0.873	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-89.7	132.5	-177.3	179.4	0	0	0	0	110.2
7	L	53.1	Low	48.3	Very low	156 Å²	156	147.4 Å²	147.4	82%	0.817	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-74.2	136.9	-169.8	-74.7	148	0	0	0	114.3
8	K	42.1	Very low	48.5	Very low	189 Å²	189	150.2 Å²	150.2	82%	0.822	86%	0.862	S	S	*	*			trans	19.7	105.1	141.4	-83.4	175.7	171	170.7	0	118.1
9	G	41.6	Very low	48.9	Very low	83 Å²	83	149.5 Å²	149.5	86%	0.856	86%	0.86	S	S	*	*			trans	-90	97.2	153.8	0	0	0	0	0	111.2	K11	G9-K11 PolarHBondContact O-N 3.25Å
10	V	54.5	Low	49.2	Very low	126 Å²	126	148.3 Å²	148.3	76%	0.764	86%	0.855	S	S	*	*			trans	-82	111	170.8	178.8	0	0	0	0	108.2	K12	V10-K12 PolarHBondContact O-N 3.06Å
11	K	51.5	Low	49.2	Very low	207 Å²	207	151.2 Å²	151.2	90%	0.9	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.3	173.8	-91	-179.9	175.7	174.5	0	109.8	G9	G9-K11 PolarHBondContact O-N 3.25Å
12	K	46.4	Very low	49.4	Very low	202 Å²	202	142.9 Å²	142.9	88%	0.878	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-52	133.8	170.1	-96.6	175.7	172.5	173.2	0	111.1	V10 G14	V10-K12 PolarHBondContact O-N 3.06Å; K12-G14 PolarHBondContact O-N 3.13Å
13	A	49.8	Very low	49.4	Very low	100 Å²	100	140.3 Å²	140.3	83%	0.826	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-50.4	127.9	171.7	0	0	0	0	0	111.6
14	G	47.8	Very low	49.7	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-64.4	136	176.3	0	0	0	0	0	111.5	K12 A16	K12-G14 PolarHBondContact O-N 3.13Å; G14-A16 PolarHBondContact O-N 3.12Å
15	K	47.3	Very low	50.1	Low	207 Å²	207	143.9 Å²	143.9	90%	0.9	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-47.3	131.5	177	-73.7	173.2	173	177.9	0	111.6	Q17	K15-Q17 PolarHBondContact O-N 3.46Å; K15-Q17 VanDerWaalsContact O-N 3.12Å
16	A	49.4	Very low	50.6	Low	100 Å²	100	148.7 Å²	148.7	83%	0.826	83%	0.826	S	S	*	*			trans	-51.7	115.1	168.5	0	0	0	0	0	110.4	G14 K18	G14-A16 PolarHBondContact O-N 3.12Å; A16-K18 PolarHBondContact O-N 3.42Å; A16-K18 VanDerWaalsContact O-N 3.13Å
17	Q	55.3	Low	50.7	Low	187 Å²	187	153.5 Å²	153.5	87%	0.874	83%	0.829	S	S	*	*			trans	-67.3	108.7	168.7	-100.5	174.8	-44.5	0	0	108.4	K15 V19	K15-Q17 PolarHBondContact O-N 3.46Å; K15-Q17 VanDerWaalsContact O-N 3.12Å; Q17-V19 PolarHBondContact O-N 3.49Å
18	K	50.7	Low	51	Low	197 Å²	197	156.9 Å²	156.9	86%	0.857	83%	0.83	S	S	*	*			trans	-60.1	107.1	169.3	-146.7	175.9	-172.9	-178.9	0	107.2	A16 T20	A16-K18 PolarHBondContact O-N 3.42Å; A16-K18 VanDerWaalsContact O-N 3.13Å; K18-T20 PolarHBondContact O-N 2.79Å
19	V	56.1	Low	51.8	Low	138 Å²	138	156.5 Å²	156.5	84%	0.836	83%	0.829	S	S	*	*			trans	-64.7	103.1	174.9	-170.4	0	0	0	0	107	Q17 K21	Q17-V19 PolarHBondContact O-N 3.49Å; V19-K21 PolarHBondContact O-N 3.09Å
20	T	54.6	Low	52.7	Low	124 Å²	124	157.6 Å²	157.6	76%	0.761	82%	0.823	S	S	*	*			trans	-66.1	113.9	171.9	42.1	0	0	0	0	107.6	K18 G22	K18-T20 PolarHBondContact O-N 2.79Å; T20-G22 PolarHBondContact O-N 2.98Å
21	K	49.8	Very low	53.2	Low	211 Å²	211	162 Å²	162	92%	0.917	83%	0.826	S	S	*	*			trans	-62.8	86.2	161.4	-94.3	-179.1	172.6	175.5	0	106.9	V19 G23	V19-K21 PolarHBondContact O-N 3.09Å; K21-G23 PolarHBondContact O-N 3.17Å; K21-G23 VanDerWaalsContact O-N 3.09Å
22	G	49.8	Very low	54.1	Low	73 Å²	73	160.4 Å²	160.4	75%	0.753	82%	0.819	S	S	*	*			trans	-61.3	110.1	173	0	0	0	0	0	108.7	T20	T20-G22 PolarHBondContact O-N 2.98Å
23	G	46.2	Very low	55.7	Low	52 Å²	52	160 Å²	160	54%	0.536	82%	0.821	S	S	.	*			trans	-58	153.4	-179.1	0	0	0	0	0	114	K21 K25	K21-G23 PolarHBondContact O-N 3.17Å; K21-G23 VanDerWaalsContact O-N 3.09Å; G23-K25 VanDerWaalsContact C-N 3.26Å; G23-K25 PolarHBondContact O-N 2.81Å
24	D	48.3	Very low	57.7	Low	173 Å²	173	157.8 Å²	157.8	93%	0.925	80%	0.799	S	S	*	*			trans	38.4	39.5	145.3	-61.9	-62.9	0	0	0	118.9	K26	D24-K26 VanDerWaalsContact C-N 3.26Å; D24-K26 PolarHBondContact O-N 3.01Å
25	K	57.9	Low	60	Low	178 Å²	178	157.2 Å²	157.2	77%	0.774	78%	0.775	S	S	*	*			trans	-76.7	87.6	156.3	-78.1	-178.2	-179	171.2	0	107.9	G23 R27	G23-K25 VanDerWaalsContact C-N 3.26Å; G23-K25 PolarHBondContact O-N 2.81Å; K25-R27 PolarHBondContact O-N 3.01Å
26	K	56.4	Low	62.2	Low	200 Å²	200	148.7 Å²	148.7	87%	0.87	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-0.6	97.2	159.8	-92.5	179.1	173.6	173.4	0	110.9	D24 R28	D24-K26 VanDerWaalsContact C-N 3.26Å; D24-K26 PolarHBondContact O-N 3.01Å; K26-R28 PolarHBondContact O-N 2.76Å
27	R	55.5	Low	64.4	Low	245 Å²	245	147.5 Å²	147.5	93%	0.925	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-0.7	90.7	175	-73.6	176.4	173.6	167.8	-2.5	111.5	K25 K29	K25-R27 PolarHBondContact O-N 3.01Å; R27-K29 VanDerWaalsContact C-N 3.29Å; R27-K29 PolarHBondContact O-N 3.07Å
28	R	59.8	Low	66.2	Low	227 Å²	227	145.5 Å²	145.5	86%	0.857	71%	0.711	S	S	*	*			trans	-53.2	105	166.6	-88.8	-174.2	166.1	-178.4	-4.1	105.5	K26 S30	K26-R28 PolarHBondContact O-N 2.76Å; R28-S30 PolarHBondContact O-N 2.96Å; R28-S30 VanDerWaalsContact O-N 3.07Å
29	K	59.6	Low	68.4	Low	180 Å²	180	137.1 Å²	137.1	78%	0.783	68%	0.675	S	S	*	*			trans	-47.1	121.1	179.5	-168.4	172.2	-175.1	173.4	0	105.9	R27 R31	R27-K29 VanDerWaalsContact C-N 3.29Å; R27-K29 PolarHBondContact O-N 3.07Å; K29-R31 PolarHBondContact O-N 3.23Å; K29-R31 VanDerWaalsContact O-N 3.08Å
30	S	59.5	Low	70.4	Confident	107 Å²	107	136.2 Å²	136.2	75%	0.748	66%	0.658	S	S	*	*			trans	-42.5	124	180	-179.9	0	0	0	0	107.9	R28 K32	R28-S30 PolarHBondContact O-N 2.96Å; R28-S30 VanDerWaalsContact O-N 3.07Å; S30-K32 PolarHBondContact O-N 2.92Å
31	R	65.7	Low	72.3	Confident	218 Å²	218	136.5 Å²	136.5	82%	0.823	65%	0.648	S	S	*	*			trans	-59.8	108.6	-176.1	-177.5	178.7	-174.9	170.6	0.8	105.9	K29 E33	K29-R31 PolarHBondContact O-N 3.23Å; K29-R31 VanDerWaalsContact O-N 3.08Å; R31-E33 PolarHBondContact O-N 3.34Å; R31-E33 VanDerWaalsContact O-N 3.11Å
32	K	69.8	Low	74.5	Confident	173 Å²	173	130.6 Å²	130.6	75%	0.752	63%	0.63	S	S	*	*			trans	-62.5	117.8	172.4	-71.9	-169.1	173.9	-167.5	0	106.7	S30 S34	S30-K32 PolarHBondContact O-N 2.92Å; K32-S34 PolarHBondContact O-N 3.29Å
33	E	80.7	Confident	76.8	Confident	195 Å²	195	128.6 Å²	128.6	91%	0.911	60%	0.602	S	S	*	*			trans	-59.4	121.8	168.8	-65.7	-176.7	160.5	0	0	107.3	R31	R31-E33 PolarHBondContact O-N 3.34Å; R31-E33 VanDerWaalsContact O-N 3.11Å
34	S	92.4	Very high	79.3	Confident	52 Å²	52	129.1 Å²	129.1	36%	0.364	59%	0.589	S	S	.	*			trans	-153.9	144.2	-174.6	172.4	0	0	0	0	109.5	K32 A36 N61	K32-S34 PolarHBondContact O-N 3.29Å; S34-A36 PolarHBondContact O-N 2.99Å; S34-A36 WeakPolarHBondContact OG-CB 3.5Å; S34-A36 PolarHBondContact OG-N 3.48Å; S34-A36 VanDerWaalsContact OG-N 3.12Å; S34-N61 WeakPolarHBondContact CA-OD1 3.37Å; S34-N61 PolarHBondContact OG-OD1 3.27Å
35	F	94.6	Very high	81.6	Confident	65 Å²	65	128.6 Å²	128.6	29%	0.285	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	0.1	174.8	-65.8	-78.2	0	0	0	113.4	T37 Y38 I39 N61 V64 N65	F35-T37 VanDerWaalsContact C-N 3.27Å; F35-T37 PolarHBondContact O-N 3.24Å; F35-T37 VanDerWaalsContact O-N 3.14Å; F35-Y38 HydrophobicContact CD1-CD2 4.15Å; F35-Y38 PolarHBondContact O-N 3.08Å; F35-I39 HydrophobicContact CB-CD1 3.99Å; F35-I39 HydrophobicContact CB-CG1 4.34Å; F35-I39 WeakPolarHBondContact O-CG1 3.22Å; F35-I39 PolarHBondContact O-N 3.07Å; F35-N61 PolarHBondContact N-OD1 2.99Å; F35-V64 HydrophobicContact CB-CB 4.46Å; F35-V64 HydrophobicContact CB-CG1 4.22Å; F35-V64 HydrophobicContact CD1-CG1 3.9Å; F35-V64 HydrophobicContact CD2-CB 4.04Å; F35-V64 HydrophobicContact CD2-CG1 3.49Å; F35-V64 VanDerWaalsContact CD2-CG1 3.49Å; F35-V64 HydrophobicContact CE1-CG1 4.1Å; F35-V64 HydrophobicContact CE2-CG1 3.72Å; F35-V64 HydrophobicContact CG-CB 4.24Å; F35-V64 HydrophobicContact CG-CG1 3.59Å; F35-V64 HydrophobicContact CZ-CG1 4.01Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.32Å
36	A	94.4	Very high	83.5	Confident	28 Å²	28	124.6 Å²	124.6	23%	0.231	57%	0.571	C	S	.	*	H	α-helix	trans	-53.5	-39.9	-173.3	0	0	0	0	0	113.9	S34 Y38 Y40 M57	S34-A36 PolarHBondContact O-N 2.99Å; S34-A36 WeakPolarHBondContact OG-CB 3.5Å; S34-A36 PolarHBondContact OG-N 3.48Å; S34-A36 VanDerWaalsContact OG-N 3.12Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.11Å; A36-Y40 WeakPolarHBondContact O-CB 3.37Å; A36-Y40 PolarHBondContact O-N 3.48Å; A36-M57 HydrophobicContact CB-CG 3.99Å; A36-M57 HydrophobicContact CB-SD 3.76Å
37	T	94.4	Very high	85.4	Confident	74 Å²	74	120 Å²	120	45%	0.454	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-39.8	177	-55.9	0	0	0	0	112	F35 K41	F35-T37 VanDerWaalsContact C-N 3.27Å; F35-T37 PolarHBondContact O-N 3.24Å; F35-T37 VanDerWaalsContact O-N 3.14Å; T37-K41 WeakPolarHBondContact O-CG 3.29Å; T37-K41 PolarHBondContact O-N 3.41Å
38	Y	94.9	Very high	87.4	Confident	145 Å²	145	112.2 Å²	112.2	57%	0.569	53%	0.534	S	S	*	.	H	α-helix	trans	-75.8	-40.4	-179.3	-54.5	-74	0	0	0	111.4	F35 A36 Y40 K41 V42	F35-Y38 HydrophobicContact CD1-CD2 4.15Å; F35-Y38 PolarHBondContact O-N 3.08Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.11Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 2.93Å; Y38-K41 PolarHBondContact O-N 2.89Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; Y38-V42 WeakPolarHBondContact O-CG2 3.48Å; Y38-V42 PolarHBondContact O-N 3.49Å
39	I	96.7	Very high	89.2	Confident	21 Å²	21	109 Å²	109	11%	0.108	53%	0.534	C	S	.	.	H	α-helix	trans	-56.1	-45.9	173.5	-65.3	161.8	0	0	0	109.8	F35 V42 L43 I52 M57 M60 N61	F35-I39 HydrophobicContact CB-CD1 3.99Å; F35-I39 HydrophobicContact CB-CG1 4.34Å; F35-I39 WeakPolarHBondContact O-CG1 3.22Å; F35-I39 PolarHBondContact O-N 3.07Å; I39-V42 PolarHBondContact O-N 3.24Å; I39-L43 WeakPolarHBondContact O-CB 3.5Å; I39-L43 PolarHBondContact O-N 2.9Å; I39-I52 HydrophobicContact CG2-CD1 4.36Å; I39-M57 HydrophobicContact CB-CE 4.49Å; I39-M57 HydrophobicContact CB-SD 3.87Å; I39-M57 HydrophobicContact CD1-SD 4.09Å; I39-M57 HydrophobicContact CG2-CE 4.19Å; I39-M57 HydrophobicContact CG2-SD 3.71Å; I39-M60 HydrophobicContact CD1-CB 3.82Å; I39-M60 HydrophobicContact CG1-CB 4.47Å; I39-M60 HydrophobicContact CG2-CB 4.12Å; I39-M60 HydrophobicContact CG2-CG 4.49Å; I39-N61 HydrophobicContact CD1-CB 4.26Å
40	Y	96.5	Very high	91	Very high	119 Å²	119	103.8 Å²	103.8	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.2	-171.4	-99.9	0	0	0	113.1	A36 Y38 L43 K44 I52	A36-Y40 WeakPolarHBondContact O-CB 3.37Å; A36-Y40 PolarHBondContact O-N 3.48Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 2.93Å; Y40-L43 PolarHBondContact O-N 3.39Å; Y40-K44 HydrophobicContact CD1-CG 4.27Å; Y40-K44 HydrophobicContact CE1-CG 3.8Å; Y40-K44 HydrophobicContact CE2-CG 4.3Å; Y40-K44 PolarHBondContact O-N 2.95Å; Y40-K44 WeakPolarHBondContact OH-CE 3.2Å; Y40-I52 HydrophobicContact CD2-CG2 4.49Å
41	K	96	Very high	92.8	Very high	130 Å²	130	101.5 Å²	101.5	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-60.6	-45.4	176.5	-78.4	177.5	177.3	-174.7	0	111.9	T37 Y38 K44 Q45	T37-K41 WeakPolarHBondContact O-CG 3.29Å; T37-K41 PolarHBondContact O-N 3.41Å; Y38-K41 PolarHBondContact O-N 2.89Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 3.41Å; K41-Q45 PolarHBondContact O-N 2.89Å; K41-Q45 VanDerWaalsContact O-N 3.1Å
42	V	96	Very high	94.3	Very high	87 Å²	87	93.8 Å²	93.8	53%	0.527	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-43	177.9	175.3	0	0	0	0	110.5	Y38 I39 K44 Q45 V46	Y38-V42 WeakPolarHBondContact O-CG2 3.48Å; Y38-V42 PolarHBondContact O-N 3.49Å; I39-V42 PolarHBondContact O-N 3.24Å; V42-K44 VanDerWaalsContact C-N 3.35Å; V42-K44 PolarHBondContact O-N 3.44Å; V42-Q45 WeakPolarHBondContact O-CB 3.45Å; V42-Q45 PolarHBondContact O-N 3.49Å; V42-Q45 VanDerWaalsContact O-N 3.13Å; V42-V46 PolarHBondContact O-N 3.16Å; V42-V46 VanDerWaalsContact O-N 3.11Å
43	L	97.4	Very high	95.6	Very high	31 Å²	31	89 Å²	89	16%	0.162	47%	0.473	C	S	.	.	H	α-helix	trans	-55.9	-48.8	176	176.1	64.4	0	0	0	111.6	I39 Y40 Q45 V46 H47 T50 I52	I39-L43 WeakPolarHBondContact O-CB 3.5Å; I39-L43 PolarHBondContact O-N 2.9Å; Y40-L43 PolarHBondContact O-N 3.39Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.02Å; L43-V46 PolarHBondContact O-N 3.37Å; L43-H47 HydrophobicContact CD1-CB 4.32Å; L43-H47 CarbonylContact O-C 3.46Å; L43-H47 WeakPolarHBondContact O-CA 3.43Å; L43-H47 PolarHBondContact O-N 3.05Å; L43-T50 HydrophobicContact CD1-CG2 4.5Å; L43-I52 HydrophobicContact CD2-CB 3.71Å; L43-I52 HydrophobicContact CD2-CG2 3.69Å
44	K	97.8	Very high	96.3	Very high	64 Å²	64	84.8 Å²	84.8	28%	0.278	47%	0.466	S	S	.	.	H	α-helix	trans	-70.4	-21.5	-179.9	-69.7	-54	-168.4	-175	0	114.1	Y40 K41 V42 P48 T50	Y40-K44 HydrophobicContact CD1-CG 4.27Å; Y40-K44 HydrophobicContact CE1-CG 3.8Å; Y40-K44 HydrophobicContact CE2-CG 4.3Å; Y40-K44 PolarHBondContact O-N 2.95Å; Y40-K44 WeakPolarHBondContact OH-CE 3.2Å; K41-K44 PolarHBondContact O-N 3.41Å; V42-K44 VanDerWaalsContact C-N 3.35Å; V42-K44 PolarHBondContact O-N 3.44Å; K44-P48 WeakPolarHBondContact CD-O 3.35Å; K44-P48 PolarHBondContact NZ-O 3.15Å; K44-T50 PolarHBondContact NZ-O 3.23Å
45	Q	96.8	Very high	96.6	Very high	162 Å²	162	90 Å²	90	76%	0.757	48%	0.482	S	S	*	.	H	α-helix	trans	-74	-34.1	172.5	-174.6	179.2	-26.6	0	0	112.2	K41 V42 L43	K41-Q45 PolarHBondContact O-N 2.89Å; K41-Q45 VanDerWaalsContact O-N 3.1Å; V42-Q45 WeakPolarHBondContact O-CB 3.45Å; V42-Q45 PolarHBondContact O-N 3.49Å; V42-Q45 VanDerWaalsContact O-N 3.13Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.02Å
46	V	97.7	Very high	96.7	Very high	93 Å²	93	88.4 Å²	88.4	56%	0.564	48%	0.481	S	S	*	.	H	α-helix	trans	-95.3	-37.4	-177.1	-176.7	0	0	0	0	112.3	V42 L43	V42-V46 PolarHBondContact O-N 3.16Å; V42-V46 VanDerWaalsContact O-N 3.11Å; L43-V46 PolarHBondContact O-N 3.37Å
47	H	97.5	Very high	96.8	Very high	105 Å²	105	88.8 Å²	88.8	49%	0.486	48%	0.478	S	S	.	.			trans	-136.4	85.1	-179	-62	-61.7	0	0	0	111	L43 D49 T50	L43-H47 HydrophobicContact CD1-CB 4.32Å; L43-H47 CarbonylContact O-C 3.46Å; L43-H47 WeakPolarHBondContact O-CA 3.43Å; L43-H47 PolarHBondContact O-N 3.05Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.46Å; H47-T50 PolarHBondContact O-N 2.91Å
48	P	97.5	Very high	96.9	Very high	81 Å²	81	88.8 Å²	88.8	53%	0.526	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.2	-177.4	-26.3	35.6	0	0	0	113.9	K44	K44-P48 WeakPolarHBondContact CD-O 3.35Å; K44-P48 PolarHBondContact NZ-O 3.15Å
49	D	97.5	Very high	97	Very high	159 Å²	159	86.9 Å²	86.9	85%	0.85	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.9	-173.6	-53.5	-45.6	0	0	0	113.7	H47	H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.46Å
50	T	97	Very high	97.1	Very high	70 Å²	70	89.6 Å²	89.6	43%	0.429	49%	0.493	S	S	.	.			trans	-94	138.1	-177.5	-58.5	0	0	0	0	111.4	L43 K44 H47	L43-T50 HydrophobicContact CD1-CG2 4.5Å; K44-T50 PolarHBondContact NZ-O 3.23Å; H47-T50 PolarHBondContact O-N 2.91Å
51	G	96.5	Very high	97.1	Very high	60 Å²	60	85.1 Å²	85.1	62%	0.619	48%	0.477	S	S	*	.			trans	-100	169.5	170.2	0	0	0	0	0	112.4
52	I	97.6	Very high	97.1	Very high	56 Å²	56	82.1 Å²	82.1	29%	0.287	47%	0.473	S	S	.	.			trans	-130.8	134.4	174.5	-174.2	170.8	0	0	0	109.6	I39 Y40 L43 A56 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.36Å; Y40-I52 HydrophobicContact CD2-CG2 4.49Å; L43-I52 HydrophobicContact CD2-CB 3.71Å; L43-I52 HydrophobicContact CD2-CG2 3.69Å; I52-A56 HydrophobicContact CD1-CB 4.06Å; I52-A56 HydrophobicContact CG1-CB 3.6Å; I52-M57 HydrophobicContact CD1-CE 4.49Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; I52-M60 HydrophobicContact CD1-CG 4.25Å
53	S	97.6	Very high	97.2	Very high	71 Å²	71	83.7 Å²	83.7	50%	0.497	47%	0.473	S	S	.	.			trans	-71.2	158.9	178.2	72.6	0	0	0	0	111.6	K55 A56 M57	S53-K55 VanDerWaalsContact C-N 3.28Å; S53-K55 PolarHBondContact O-N 3.15Å; S53-A56 PolarHBondContact O-N 3.22Å; S53-A56 WeakPolarHBondContact OG-CB 3.21Å; S53-A56 PolarHBondContact OG-N 2.79Å; S53-A56 VanDerWaalsContact OG-N 3.15Å; S53-M57 WeakPolarHBondContact O-CB 3.21Å; S53-M57 PolarHBondContact O-N 2.59Å
54	S	96.1	Very high	97.2	Very high	108 Å²	108	84.2 Å²	84.2	76%	0.755	48%	0.477	S	S	*	.	H	α-helix	trans	-60.5	-38	176.4	57	0	0	0	0	112.6	M57 S58	S54-M57 PolarHBondContact O-N 2.52Å; S54-S58 PolarHBondContact O-N 2.93Å
55	K	97.4	Very high	97.1	Very high	160 Å²	160	84 Å²	84	70%	0.696	48%	0.479	S	S	*	.	H	α-helix	trans	-63.9	-47.4	175.4	-172.3	176.2	-178.6	179.9	0	111.2	S53 M57 S58 I59	S53-K55 VanDerWaalsContact C-N 3.28Å; S53-K55 PolarHBondContact O-N 3.15Å; K55-M57 VanDerWaalsContact C-N 3.35Å; K55-M57 PolarHBondContact O-N 3.39Å; K55-S58 WeakPolarHBondContact O-CB 3.47Å; K55-S58 PolarHBondContact O-N 3.44Å; K55-I59 HydrophobicContact CG-CD1 4.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.23Å; K55-I59 PolarHBondContact O-N 3.06Å
56	A	97.8	Very high	97.1	Very high	33 Å²	33	79.6 Å²	79.6	27%	0.273	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-40.4	176.9	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 3.22Å; S53-A56 WeakPolarHBondContact OG-CB 3.21Å; S53-A56 PolarHBondContact OG-N 2.79Å; S53-A56 VanDerWaalsContact OG-N 3.15Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.28Å; A56-I59 PolarHBondContact O-N 2.87Å; A56-M60 WeakPolarHBondContact O-CG 3.48Å; A56-M60 PolarHBondContact O-N 3.44Å
57	M	96.7	Very high	97.1	Very high	35 Å²	35	77.1 Å²	77.1	17%	0.172	45%	0.446	C	S	.	.	H	α-helix	trans	-59.1	-42	174	-175.4	62.5	78.1	0	0	111.9	A36 I39 I52 S53 S54 K55 M60 N61	A36-M57 HydrophobicContact CB-CG 3.99Å; A36-M57 HydrophobicContact CB-SD 3.76Å; I39-M57 HydrophobicContact CB-CE 4.49Å; I39-M57 HydrophobicContact CB-SD 3.87Å; I39-M57 HydrophobicContact CD1-SD 4.09Å; I39-M57 HydrophobicContact CG2-CE 4.19Å; I39-M57 HydrophobicContact CG2-SD 3.71Å; I52-M57 HydrophobicContact CD1-CE 4.49Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; S53-M57 WeakPolarHBondContact O-CB 3.21Å; S53-M57 PolarHBondContact O-N 2.59Å; S54-M57 PolarHBondContact O-N 2.52Å; K55-M57 VanDerWaalsContact C-N 3.35Å; K55-M57 PolarHBondContact O-N 3.39Å; M57-M60 PolarHBondContact O-N 3.34Å; M57-N61 WeakPolarHBondContact O-CB 3.42Å; M57-N61 PolarHBondContact O-N 2.87Å
58	S	96.2	Very high	97	Very high	74 Å²	74	78.2 Å²	78.2	52%	0.517	45%	0.449	S	S	.	.	H	α-helix	trans	-64.1	-42.5	176.2	-169	0	0	0	0	112.1	S54 K55 A56 N61 S62	S54-S58 PolarHBondContact O-N 2.93Å; K55-S58 WeakPolarHBondContact O-CB 3.47Å; K55-S58 PolarHBondContact O-N 3.44Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.28Å; S58-N61 PolarHBondContact O-N 3.43Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.45Å
59	I	97.6	Very high	97	Very high	105 Å²	105	79.4 Å²	79.4	54%	0.538	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-47.4	177.2	-67.2	165.6	0	0	0	110.1	K55 A56 N61 S62 F63	K55-I59 HydrophobicContact CG-CD1 4.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.23Å; K55-I59 PolarHBondContact O-N 3.06Å; A56-I59 PolarHBondContact O-N 2.87Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.35Å; I59-S62 PolarHBondContact O-N 3.47Å; I59-F63 WeakPolarHBondContact O-CB 3.24Å; I59-F63 PolarHBondContact O-N 3.19Å
60	M	97.7	Very high	97	Very high	79 Å²	79	78.4 Å²	78.4	39%	0.389	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-39.6	178.5	-70.7	-58.2	-63.3	0	0	112.3	I39 I52 A56 M57 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.82Å; I39-M60 HydrophobicContact CG1-CB 4.47Å; I39-M60 HydrophobicContact CG2-CB 4.12Å; I39-M60 HydrophobicContact CG2-CG 4.49Å; I52-M60 HydrophobicContact CD1-CG 4.25Å; A56-M60 WeakPolarHBondContact O-CG 3.48Å; A56-M60 PolarHBondContact O-N 3.44Å; M57-M60 PolarHBondContact O-N 3.34Å; M60-F63 PolarHBondContact O-N 2.86Å; M60-V64 WeakPolarHBondContact O-CG2 3.35Å; M60-V64 PolarHBondContact O-N 2.84Å
61	N	96.3	Very high	97	Very high	25 Å²	25	76.7 Å²	76.7	13%	0.134	42%	0.423	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.6	-175.6	91.3	0	0	0	111.7	S34 F35 I39 M57 S58 I59 F63 V64 N65	S34-N61 WeakPolarHBondContact CA-OD1 3.37Å; S34-N61 PolarHBondContact OG-OD1 3.27Å; F35-N61 PolarHBondContact N-OD1 2.99Å; I39-N61 HydrophobicContact CD1-CB 4.26Å; M57-N61 WeakPolarHBondContact O-CB 3.42Å; M57-N61 PolarHBondContact O-N 2.87Å; S58-N61 PolarHBondContact O-N 3.43Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.35Å; N61-F63 VanDerWaalsContact C-N 3.34Å; N61-V64 PolarHBondContact O-N 2.73Å; N61-N65 PolarHBondContact ND2-ND2 2.89Å; N61-N65 PolarHBondContact O-N 3.12Å
62	S	96.9	Very high	97.1	Very high	67 Å²	67	75.2 Å²	75.2	47%	0.469	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-38.1	175.4	-63.3	0	0	0	0	112.3	S58 I59 N65 D66	S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.45Å; I59-S62 PolarHBondContact O-N 3.47Å; S62-N65 PolarHBondContact O-N 3.37Å; S62-D66 PolarHBondContact O-N 3.33Å
63	F	97.3	Very high	97.1	Very high	120 Å²	120	75.1 Å²	75.1	53%	0.526	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-45.4	175.2	173.8	-109.4	0	0	0	111.9	I59 M60 N61 N65 D66 V67	I59-F63 WeakPolarHBondContact O-CB 3.24Å; I59-F63 PolarHBondContact O-N 3.19Å; M60-F63 PolarHBondContact O-N 2.86Å; N61-F63 VanDerWaalsContact C-N 3.34Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 2.93Å; F63-D66 PolarHBondContact O-N 3.44Å; F63-V67 HydrophobicContact CD2-CG2 4.33Å; F63-V67 HydrophobicContact CE1-CG2 4.4Å; F63-V67 HydrophobicContact CE2-CG2 3.85Å; F63-V67 HydrophobicContact CZ-CG2 3.9Å; F63-V67 WeakPolarHBondContact O-CG2 3.43Å; F63-V67 PolarHBondContact O-N 3.4Å; F63-V67 VanDerWaalsContact O-N 3.08Å
64	V	96.9	Very high	97.1	Very high	42 Å²	42	73 Å²	73	26%	0.255	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.1	175.7	0	0	0	0	110.9	F35 M60 N61 V67 F68	F35-V64 HydrophobicContact CB-CB 4.46Å; F35-V64 HydrophobicContact CB-CG1 4.22Å; F35-V64 HydrophobicContact CD1-CG1 3.9Å; F35-V64 HydrophobicContact CD2-CB 4.04Å; F35-V64 HydrophobicContact CD2-CG1 3.49Å; F35-V64 VanDerWaalsContact CD2-CG1 3.49Å; F35-V64 HydrophobicContact CE1-CG1 4.1Å; F35-V64 HydrophobicContact CE2-CG1 3.72Å; F35-V64 HydrophobicContact CG-CB 4.24Å; F35-V64 HydrophobicContact CG-CG1 3.59Å; F35-V64 HydrophobicContact CZ-CG1 4.01Å; M60-V64 WeakPolarHBondContact O-CG2 3.35Å; M60-V64 PolarHBondContact O-N 2.84Å; N61-V64 PolarHBondContact O-N 2.73Å; V64-V67 PolarHBondContact O-N 3.38Å; V64-F68 WeakPolarHBondContact O-CB 3.26Å; V64-F68 PolarHBondContact O-N 2.8Å
65	N	96.5	Very high	97.2	Very high	60 Å²	60	67.8 Å²	67.8	32%	0.321	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-46.6	176.3	-72.6	-19.8	0	0	0	112.2	F35 N61 S62 F63 V67 F68 D69	F35-N65 WeakPolarHBondContact CE2-OD1 3.32Å; N61-N65 PolarHBondContact ND2-ND2 2.89Å; N61-N65 PolarHBondContact O-N 3.12Å; S62-N65 PolarHBondContact O-N 3.37Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 2.93Å; N65-V67 PolarHBondContact O-N 2.99Å; N65-F68 WeakPolarHBondContact O-CB 3.44Å; N65-F68 PolarHBondContact O-N 3.2Å; N65-D69 WeakPolarHBondContact O-CB 3.38Å; N65-D69 PolarHBondContact O-N 2.97Å
66	D	97.1	Very high	97.2	Very high	69 Å²	69	63.3 Å²	63.3	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-46.1	178.8	-178.2	20	0	0	0	111.4	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 3.33Å; F63-D66 PolarHBondContact O-N 3.44Å; D66-F68 PolarHBondContact O-N 3.49Å; D66-D69 PolarHBondContact O-N 3.32Å; D66-R70 VanDerWaalsContact CG-NH2 3.34Å; D66-R70 VanDerWaalsContact O-CG 3.24Å; D66-R70 WeakPolarHBondContact O-CG 3.37Å; D66-R70 PolarHBondContact O-N 2.83Å; D66-R70 IonicContact OD1-CZ 3.36Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 3.18Å; D66-R70 IonicContact OD1-NH2 3.13Å; D66-R70 PolarHBondContact OD1-NH2 2.74Å; D66-R70 VanDerWaalsContact OD1-NH2 3.13Å; D66-R70 IonicContact OD2-CZ 3.45Å; D66-R70 IonicContact OD2-NE 3.59Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 2.97Å
67	V	96.5	Very high	97.2	Very high	41 Å²	41	67.5 Å²	67.5	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-40.1	176.4	176.5	0	0	0	0	111.6	F63 V64 N65 R70 I71	F63-V67 HydrophobicContact CD2-CG2 4.33Å; F63-V67 HydrophobicContact CE1-CG2 4.4Å; F63-V67 HydrophobicContact CE2-CG2 3.85Å; F63-V67 HydrophobicContact CZ-CG2 3.9Å; F63-V67 WeakPolarHBondContact O-CG2 3.43Å; F63-V67 PolarHBondContact O-N 3.4Å; F63-V67 VanDerWaalsContact O-N 3.08Å; V64-V67 PolarHBondContact O-N 3.38Å; N65-V67 PolarHBondContact O-N 2.99Å; V67-R70 PolarHBondContact O-N 3.14Å; V67-I71 HydrophobicContact CG1-CD1 3.76Å; V67-I71 HydrophobicContact CG1-CG1 4.41Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.33Å; V67-I71 PolarHBondContact O-N 3.23Å
68	F	96.5	Very high	97.3	Very high	127 Å²	127	67 Å²	67	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-48.1	178	179.9	-89.6	0	0	0	111.7	V64 N65 D66 R70 I71 G72	V64-F68 WeakPolarHBondContact O-CB 3.26Å; V64-F68 PolarHBondContact O-N 2.8Å; N65-F68 WeakPolarHBondContact O-CB 3.44Å; N65-F68 PolarHBondContact O-N 3.2Å; D66-F68 PolarHBondContact O-N 3.49Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 PolarHBondContact O-N 3.06Å; F68-I71 PolarHBondContact O-N 3.21Å; F68-G72 PolarHBondContact O-N 2.88Å
69	D	97	Very high	97.3	Very high	106 Å²	106	63.7 Å²	63.7	57%	0.567	33%	0.334	S	S	*	.	H	α-helix	trans	-63.5	-41.5	179.6	-71.3	-19	0	0	0	111.1	N65 D66 G72 A73	N65-D69 WeakPolarHBondContact O-CB 3.38Å; N65-D69 PolarHBondContact O-N 2.97Å; D66-D69 PolarHBondContact O-N 3.32Å; D69-G72 PolarHBondContact O-N 3.38Å; D69-A73 WeakPolarHBondContact O-CB 3.34Å; D69-A73 PolarHBondContact O-N 3.21Å
70	R	97.8	Very high	97.3	Very high	139 Å²	139	65.3 Å²	65.3	53%	0.525	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-46.6	174.5	-71	175.6	-163.3	-156	7.6	112.1	D66 V67 F68 A73 E74 L99	D66-R70 VanDerWaalsContact CG-NH2 3.34Å; D66-R70 VanDerWaalsContact O-CG 3.24Å; D66-R70 WeakPolarHBondContact O-CG 3.37Å; D66-R70 PolarHBondContact O-N 2.83Å; D66-R70 IonicContact OD1-CZ 3.36Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 3.18Å; D66-R70 IonicContact OD1-NH2 3.13Å; D66-R70 PolarHBondContact OD1-NH2 2.74Å; D66-R70 VanDerWaalsContact OD1-NH2 3.13Å; D66-R70 IonicContact OD2-CZ 3.45Å; D66-R70 IonicContact OD2-NE 3.59Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 2.97Å; V67-R70 PolarHBondContact O-N 3.14Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 PolarHBondContact O-N 3.06Å; R70-A73 PolarHBondContact O-N 3.44Å; R70-E74 WeakPolarHBondContact O-CB 3.44Å; R70-E74 PolarHBondContact O-N 3.29Å; R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.26Å
71	I	97.7	Very high	97.3	Very high	33 Å²	33	69.2 Å²	69.2	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-45.1	177.8	-68.5	165.1	0	0	0	110.4	V67 F68 A73 E74 A75 I92 A95 V96 L99	V67-I71 HydrophobicContact CG1-CD1 3.76Å; V67-I71 HydrophobicContact CG1-CG1 4.41Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.33Å; V67-I71 PolarHBondContact O-N 3.23Å; F68-I71 PolarHBondContact O-N 3.21Å; I71-A73 PolarHBondContact O-N 3.39Å; I71-E74 PolarHBondContact O-N 3.38Å; I71-A75 VanDerWaalsContact O-CB 3.23Å; I71-A75 WeakPolarHBondContact O-CB 3.39Å; I71-A75 PolarHBondContact O-N 3.13Å; I71-I92 HydrophobicContact CG2-CG2 4.32Å; I71-A95 HydrophobicContact CG2-CB 4.24Å; I71-V96 HydrophobicContact CD1-CG2 3.99Å; I71-V96 HydrophobicContact CG1-CG2 4.29Å; I71-V96 HydrophobicContact CG2-CG2 4.26Å; I71-L99 VanDerWaalsContact CA-CD1 3.46Å; I71-L99 HydrophobicContact CB-CD1 4.14Å; I71-L99 HydrophobicContact CG1-CD1 3.57Å
72	G	97.6	Very high	97.2	Very high	30 Å²	30	71.6 Å²	71.6	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-44.9	177.8	0	0	0	0	0	112.4	F68 D69 A75 S76	F68-G72 PolarHBondContact O-N 2.88Å; D69-G72 PolarHBondContact O-N 3.38Å; G72-A75 PolarHBondContact O-N 3.35Å; G72-S76 WeakPolarHBondContact O-CB 3.5Å; G72-S76 PolarHBondContact O-N 2.74Å
73	A	98	Very high	97.2	Very high	53 Å²	53	75.4 Å²	75.4	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-42.1	178.2	0	0	0	0	0	112.7	D69 R70 I71 R77	D69-A73 WeakPolarHBondContact O-CB 3.34Å; D69-A73 PolarHBondContact O-N 3.21Å; R70-A73 PolarHBondContact O-N 3.44Å; I71-A73 PolarHBondContact O-N 3.39Å; A73-R77 WeakPolarHBondContact O-CG 3.36Å; A73-R77 PolarHBondContact O-N 3.13Å
74	E	98	Very high	97.1	Very high	26 Å²	26	76.4 Å²	76.4	12%	0.121	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-43.7	175.6	-171.5	64.6	-128.3	0	0	111.4	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.44Å; R70-E74 PolarHBondContact O-N 3.29Å; I71-E74 PolarHBondContact O-N 3.38Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 3.13Å; E74-R77 PolarHBondContact O-N 2.76Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 3.86Å; E74-R77 IonicContact OE2-NH1 3.61Å; E74-R77 IonicContact OE2-NH2 2.59Å; E74-R77 PolarHBondContact OE2-NH2 2.99Å; E74-L78 HydrophobicContact CG-CD1 4.4Å; E74-L78 WeakPolarHBondContact O-CG 3.24Å; E74-L78 PolarHBondContact O-N 3.4Å; E74-A95 HydrophobicContact CB-CB 3.77Å; E74-A95 HydrophobicContact CG-CB 3.75Å; E74-L98 HydrophobicContact CG-CB 4.33Å; E74-L98 HydrophobicContact CG-CD1 3.95Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.48Å; E74-L99 HydrophobicContact CB-CD1 4.16Å; E74-L99 HydrophobicContact CB-CG 4.48Å
75	A	98.1	Very high	97.1	Very high	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-63.3	-37.4	177.2	0	0	0	0	0	112.3	I71 G72 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.23Å; I71-A75 WeakPolarHBondContact O-CB 3.39Å; I71-A75 PolarHBondContact O-N 3.13Å; G72-A75 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 3.05Å; A75-A79 PolarHBondContact O-N 3.22Å; A75-I87 HydrophobicContact CB-CG2 3.91Å; A75-E91 HydrophobicContact CB-CB 4.25Å; A75-I92 HydrophobicContact CB-CD1 3.66Å; A75-A95 HydrophobicContact CB-CB 4.05Å
76	S	97.7	Very high	97.1	Very high	65 Å²	65	86.1 Å²	86.1	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-63.7	-42.9	172.9	-171.8	0	0	0	0	111.9	G72 E74 A79 H80	G72-S76 WeakPolarHBondContact O-CB 3.5Å; G72-S76 PolarHBondContact O-N 2.74Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 3.13Å; S76-A79 PolarHBondContact O-N 3.02Å; S76-H80 PolarHBondContact O-N 2.87Å
77	R	97.7	Very high	97.1	Very high	121 Å²	121	86.5 Å²	86.5	46%	0.457	43%	0.428	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.1	-77.9	-175.9	-75.9	162.2	-1.8	111.5	A73 E74 A79 H80 Y81	A73-R77 WeakPolarHBondContact O-CG 3.36Å; A73-R77 PolarHBondContact O-N 3.13Å; E74-R77 PolarHBondContact O-N 2.76Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 3.86Å; E74-R77 IonicContact OE2-NH1 3.61Å; E74-R77 IonicContact OE2-NH2 2.59Å; E74-R77 PolarHBondContact OE2-NH2 2.99Å; R77-A79 PolarHBondContact O-N 3.49Å; R77-H80 WeakPolarHBondContact O-CB 3.38Å; R77-H80 PolarHBondContact O-N 3.49Å; R77-Y81 HydrophobicContact CB-CE2 4.27Å; R77-Y81 WeakPolarHBondContact O-CD2 3.45Å; R77-Y81 PolarHBondContact O-N 3.06Å
78	L	97.8	Very high	96.9	Very high	26 Å²	26	86.5 Å²	86.5	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-62.2	-41.1	176.3	-69.7	169.4	0	0	0	112.8	E74 A75 H80 Y81 N82 E91 T94 A95 L98	E74-L78 HydrophobicContact CG-CD1 4.4Å; E74-L78 WeakPolarHBondContact O-CG 3.24Å; E74-L78 PolarHBondContact O-N 3.4Å; A75-L78 PolarHBondContact O-N 3.05Å; L78-H80 VanDerWaalsContact C-N 3.33Å; L78-Y81 PolarHBondContact O-N 3.22Å; L78-N82 PolarHBondContact O-N 3.44Å; L78-N82 VanDerWaalsContact O-N 3.15Å; L78-N82 PolarHBondContact O-ND2 3.24Å; L78-E91 HydrophobicContact CB-CB 4.19Å; L78-E91 HydrophobicContact CB-CG 3.87Å; L78-E91 WeakPolarHBondContact CD1-O 3.29Å; L78-T94 HydrophobicContact CD1-CG2 3.74Å; L78-T94 HydrophobicContact CD2-CG2 4.19Å; L78-A95 HydrophobicContact CD1-CB 4.11Å; L78-L98 HydrophobicContact CD1-CD1 4.24Å; L78-L98 HydrophobicContact CD2-CD1 4.19Å
79	A	97.6	Very high	96.7	Very high	4 Å²	4	84.5 Å²	84.5	3%	0.033	43%	0.431	C	S	.	.	H	α-helix	trans	-63	-42.5	175.4	0	0	0	0	0	111.3	A75 S76 R77 N82 N83 R84 I87 E91	A75-A79 PolarHBondContact O-N 3.22Å; S76-A79 PolarHBondContact O-N 3.02Å; R77-A79 PolarHBondContact O-N 3.49Å; A79-N82 CarbonylContact O-C 3.59Å; A79-N82 PolarHBondContact O-N 3.43Å; A79-N83 PolarHBondContact O-N 3.39Å; A79-R84 PolarHBondContact O-N 2.94Å; A79-I87 HydrophobicContact CB-CG1 3.93Å; A79-E91 HydrophobicContact CB-CG 4.23Å
80	H	96.8	Very high	96.4	Very high	139 Å²	139	86.8 Å²	86.8	64%	0.644	43%	0.432	S	S	*	.	H	α-helix	trans	-62.6	-46	177	-170.5	65.1	0	0	0	112.1	S76 R77 L78 N82 N83	S76-H80 PolarHBondContact O-N 2.87Å; R77-H80 WeakPolarHBondContact O-CB 3.38Å; R77-H80 PolarHBondContact O-N 3.49Å; L78-H80 VanDerWaalsContact C-N 3.33Å; H80-N82 PolarHBondContact O-N 3.21Å; H80-N83 PolarHBondContact O-N 3.03Å
81	Y	96.7	Very high	96.3	Very high	161 Å²	161	80.2 Å²	80.2	63%	0.631	41%	0.407	S	S	*	.	H	α-helix	trans	-61	-29.8	176	-68	-41.4	0	0	0	113.5	R77 L78 N83	R77-Y81 HydrophobicContact CB-CE2 4.27Å; R77-Y81 WeakPolarHBondContact O-CD2 3.45Å; R77-Y81 PolarHBondContact O-N 3.06Å; L78-Y81 PolarHBondContact O-N 3.22Å; Y81-N83 VanDerWaalsContact C-N 3.28Å; Y81-N83 PolarHBondContact O-N 3.45Å
82	N	95.9	Very high	96.2	Very high	75 Å²	75	82 Å²	82	40%	0.401	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	8.6	176.8	-67.7	-39.2	0	0	0	113.4	L78 A79 H80 R84	L78-N82 PolarHBondContact O-N 3.44Å; L78-N82 VanDerWaalsContact O-N 3.15Å; L78-N82 PolarHBondContact O-ND2 3.24Å; A79-N82 CarbonylContact O-C 3.59Å; A79-N82 PolarHBondContact O-N 3.43Å; H80-N82 PolarHBondContact O-N 3.21Å; N82-R84 HydrophobicContact CB-CG 4.24Å; N82-R84 PolarHBondContact O-N 3.39Å
83	N	96.1	Very high	96.1	Very high	146 Å²	146	83.8 Å²	83.8	78%	0.781	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38.9	-174.3	-59.7	-62	0	0	0	113	A79 H80 Y81	A79-N83 PolarHBondContact O-N 3.39Å; H80-N83 PolarHBondContact O-N 3.03Å; Y81-N83 VanDerWaalsContact C-N 3.28Å; Y81-N83 PolarHBondContact O-N 3.45Å
84	R	96	Very high	96	Very high	142 Å²	142	83.1 Å²	83.1	54%	0.536	41%	0.407	S	S	.	.			trans	-110.7	140.4	178.3	-67.2	-171.9	173.9	-162.8	-4.6	110.7	A79 N82	A79-R84 PolarHBondContact O-N 2.94Å; N82-R84 HydrophobicContact CB-CG 4.24Å; N82-R84 PolarHBondContact O-N 3.39Å
85	H	95.3	Very high	96	Very high	197 Å²	197	81.9 Å²	81.9	91%	0.912	40%	0.402	S	S	*	.	S	Bend	trans	-90.9	-3.4	172.9	-59.5	-69	0	0	0	113.3
86	T	96.8	Very high	96	Very high	108 Å²	108	82.7 Å²	82.7	66%	0.663	41%	0.406	S	S	*	.	S	Bend	trans	-125.7	124.6	-177.1	-52.2	0	0	0	0	109.8	S88	T86-S88 PolarHBondContact O-N 3Å
87	I	96.5	Very high	95.9	Very high	78 Å²	78	86 Å²	86	40%	0.4	41%	0.409	S	S	.	.			trans	-76.2	119.1	171.2	-61.1	172.3	0	0	0	108.2	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.91Å; A79-I87 HydrophobicContact CB-CG1 3.93Å; I87-E91 HydrophobicContact CG2-CB 4.01Å; I87-I92 HydrophobicContact CG2-CD1 3.82Å; I87-I92 HydrophobicContact CG2-CG1 3.97Å
88	S	93.3	Very high	95.9	Very high	40 Å²	40	85.1 Å²	85.1	28%	0.28	41%	0.413	S	S	.	.			trans	-97.5	173.9	174.5	82	0	0	0	0	111.6	T86 R90 E91 I92	T86-S88 PolarHBondContact O-N 3Å; S88-R90 PolarHBondContact O-N 3.08Å; S88-R90 VanDerWaalsContact O-N 3.15Å; S88-R90 WeakPolarHBondContact OG-CB 3.42Å; S88-R90 PolarHBondContact OG-N 3.34Å; S88-E91 VanDerWaalsContact CA-OE2 3.29Å; S88-E91 WeakPolarHBondContact CA-OE2 3.4Å; S88-E91 WeakPolarHBondContact CB-OE2 3.43Å; S88-E91 PolarHBondContact N-OE2 3.49Å; S88-E91 PolarHBondContact O-N 2.99Å; S88-E91 PolarHBondContact OG-OE2 2.99Å; S88-I92 PolarHBondContact O-N 3.4Å
89	S	91.4	Very high	95.8	Very high	86 Å²	86	86.8 Å²	86.8	60%	0.601	42%	0.422	S	S	*	.	H	α-helix	trans	-57	-26.7	173	55.7	0	0	0	0	112.7	I92 Q93	S89-I92 PolarHBondContact O-N 3.06Å; S89-Q93 WeakPolarHBondContact O-CB 3.45Å; S89-Q93 VanDerWaalsContact O-CG 3.26Å; S89-Q93 WeakPolarHBondContact O-CG 3.44Å; S89-Q93 PolarHBondContact O-N 3.37Å
90	R	92.6	Very high	95.7	Very high	153 Å²	153	88.5 Å²	88.5	58%	0.577	43%	0.43	S	S	*	.	H	α-helix	trans	-67.9	-42.5	178	-173.7	176.3	-178.7	-100.7	1.8	112.4	S88 T94	S88-R90 PolarHBondContact O-N 3.08Å; S88-R90 VanDerWaalsContact O-N 3.15Å; S88-R90 WeakPolarHBondContact OG-CB 3.42Å; S88-R90 PolarHBondContact OG-N 3.34Å; R90-T94 WeakPolarHBondContact O-CB 3.33Å; R90-T94 PolarHBondContact O-N 3.47Å; R90-T94 PolarHBondContact O-OG1 2.93Å
91	E	95.3	Very high	95.7	Very high	2 Å²	2	86.6 Å²	86.6	1%	0.009	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-41.2	176.4	-73.4	72.9	-146.9	0	0	110.4	A75 L78 A79 I87 S88 T94 A95	A75-E91 HydrophobicContact CB-CB 4.25Å; L78-E91 HydrophobicContact CB-CB 4.19Å; L78-E91 HydrophobicContact CB-CG 3.87Å; L78-E91 WeakPolarHBondContact CD1-O 3.29Å; A79-E91 HydrophobicContact CB-CG 4.23Å; I87-E91 HydrophobicContact CG2-CB 4.01Å; S88-E91 VanDerWaalsContact CA-OE2 3.29Å; S88-E91 WeakPolarHBondContact CA-OE2 3.4Å; S88-E91 WeakPolarHBondContact CB-OE2 3.43Å; S88-E91 PolarHBondContact N-OE2 3.49Å; S88-E91 PolarHBondContact O-N 2.99Å; S88-E91 PolarHBondContact OG-OE2 2.99Å; E91-T94 PolarHBondContact O-N 3.49Å; E91-A95 VanDerWaalsContact O-CB 3.24Å; E91-A95 WeakPolarHBondContact O-CB 3.38Å; E91-A95 PolarHBondContact O-N 3.17Å
92	I	96	Very high	95.6	Very high	70 Å²	70	81.4 Å²	81.4	36%	0.359	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-48.4	175.7	-59.2	-67.8	0	0	0	111.2	I71 A75 I87 S88 S89 T94 A95 V96	I71-I92 HydrophobicContact CG2-CG2 4.32Å; A75-I92 HydrophobicContact CB-CD1 3.66Å; I87-I92 HydrophobicContact CG2-CD1 3.82Å; I87-I92 HydrophobicContact CG2-CG1 3.97Å; S88-I92 PolarHBondContact O-N 3.4Å; S89-I92 PolarHBondContact O-N 3.06Å; I92-T94 VanDerWaalsContact C-N 3.34Å; I92-T94 PolarHBondContact O-N 3.37Å; I92-A95 PolarHBondContact O-N 3.18Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.41Å; I92-V96 PolarHBondContact O-N 3.47Å
93	Q	94.9	Very high	95.6	Very high	67 Å²	67	82.9 Å²	82.9	31%	0.313	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-40.8	178.8	-74.5	176.4	12.3	0	0	112.3	S89 V96 R97	S89-Q93 WeakPolarHBondContact O-CB 3.45Å; S89-Q93 VanDerWaalsContact O-CG 3.26Å; S89-Q93 WeakPolarHBondContact O-CG 3.44Å; S89-Q93 PolarHBondContact O-N 3.37Å; Q93-V96 PolarHBondContact O-N 3.45Å; Q93-R97 WeakPolarHBondContact O-CG 3.42Å; Q93-R97 PolarHBondContact O-N 2.91Å
94	T	96.3	Very high	95.6	Very high	40 Å²	40	80.5 Å²	80.5	25%	0.245	42%	0.417	C	S	.	.	H	α-helix	trans	-67.2	-43.1	177	-54.6	0	0	0	0	111	L78 R90 E91 I92 V96 R97 L98	L78-T94 HydrophobicContact CD1-CG2 3.74Å; L78-T94 HydrophobicContact CD2-CG2 4.19Å; R90-T94 WeakPolarHBondContact O-CB 3.33Å; R90-T94 PolarHBondContact O-N 3.47Å; R90-T94 PolarHBondContact O-OG1 2.93Å; E91-T94 PolarHBondContact O-N 3.49Å; I92-T94 VanDerWaalsContact C-N 3.34Å; I92-T94 PolarHBondContact O-N 3.37Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3Å; T94-R97 WeakPolarHBondContact O-CB 3.32Å; T94-R97 PolarHBondContact O-N 2.93Å; T94-L98 HydrophobicContact CG2-CD1 4.3Å; T94-L98 WeakPolarHBondContact O-CG 3.33Å; T94-L98 PolarHBondContact O-N 3.07Å
95	A	97.3	Very high	95.6	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-56.8	-44.1	174.9	0	0	0	0	0	112.2	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.24Å; E74-A95 HydrophobicContact CB-CB 3.77Å; E74-A95 HydrophobicContact CG-CB 3.75Å; A75-A95 HydrophobicContact CB-CB 4.05Å; L78-A95 HydrophobicContact CD1-CB 4.11Å; E91-A95 VanDerWaalsContact O-CB 3.24Å; E91-A95 WeakPolarHBondContact O-CB 3.38Å; E91-A95 PolarHBondContact O-N 3.17Å; I92-A95 PolarHBondContact O-N 3.18Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.16Å; A95-L98 PolarHBondContact O-N 3.33Å; A95-L98 VanDerWaalsContact O-N 3.17Å; A95-L99 WeakPolarHBondContact O-CG 3.36Å; A95-L99 PolarHBondContact O-N 3.42Å
96	V	97.4	Very high	95.6	Very high	17 Å²	17	71.5 Å²	71.5	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-41.3	175.2	170.3	0	0	0	0	111.5	I71 I92 Q93 T94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 3.99Å; I71-V96 HydrophobicContact CG1-CG2 4.29Å; I71-V96 HydrophobicContact CG2-CG2 4.26Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.41Å; I92-V96 PolarHBondContact O-N 3.47Å; Q93-V96 PolarHBondContact O-N 3.45Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.88Å; V96-L99 PolarHBondContact O-N 3.47Å; V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 PolarHBondContact O-N 3.48Å; V96-A108 HydrophobicContact CG1-CB 3.59Å; V96-V109 HydrophobicContact CB-CG2 4.49Å; V96-V109 HydrophobicContact CG1-CG2 4.04Å
97	R	96.2	Very high	95.6	Very high	134 Å²	134	71.7 Å²	71.7	51%	0.506	37%	0.374	S	S	.	.	H	α-helix	trans	-67.8	-30.4	177	-69.2	174.8	-177.8	143.5	-0.4	113.4	Q93 T94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.42Å; Q93-R97 PolarHBondContact O-N 2.91Å; T94-R97 WeakPolarHBondContact O-CB 3.32Å; T94-R97 PolarHBondContact O-N 2.93Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.16Å; R97-V109 HydrophobicContact CG-CG2 3.86Å
98	L	97	Very high	95.5	Very high	103 Å²	103	69.6 Å²	69.6	54%	0.539	37%	0.369	S	S	.	.	H	α-helix	trans	-76.9	-36.3	177.5	-68.5	173.8	0	0	0	112.1	E74 L78 T94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.33Å; E74-L98 HydrophobicContact CG-CD1 3.95Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.48Å; L78-L98 HydrophobicContact CD1-CD1 4.24Å; L78-L98 HydrophobicContact CD2-CD1 4.19Å; T94-L98 HydrophobicContact CG2-CD1 4.3Å; T94-L98 WeakPolarHBondContact O-CG 3.33Å; T94-L98 PolarHBondContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 3.33Å; A95-L98 VanDerWaalsContact O-N 3.17Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.88Å
99	L	96.9	Very high	95.6	Very high	61 Å²	61	68.6 Å²	68.6	32%	0.319	36%	0.361	S	S	.	.	H	α-helix	trans	-85.5	-31.8	-175.2	-69.2	168.9	0	0	0	113.9	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.26Å; I71-L99 VanDerWaalsContact CA-CD1 3.46Å; I71-L99 HydrophobicContact CB-CD1 4.14Å; I71-L99 HydrophobicContact CG1-CD1 3.57Å; E74-L99 HydrophobicContact CB-CD1 4.16Å; E74-L99 HydrophobicContact CB-CG 4.48Å; A95-L99 WeakPolarHBondContact O-CG 3.36Å; A95-L99 PolarHBondContact O-N 3.42Å; V96-L99 PolarHBondContact O-N 3.47Å
100	L	95.7	Very high	95.8	Very high	39 Å²	39	67.1 Å²	67.1	20%	0.204	35%	0.351	C	S	.	.	S	Bend	trans	-104	128.5	-175.5	-55.5	-177.8	0	0	0	110.6	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 PolarHBondContact O-N 3.48Å; L100-L104 HydrophobicContact CB-CB 4.29Å; L100-L104 HydrophobicContact CB-CD2 4.14Å; L100-L104 HydrophobicContact CB-CG 4.05Å; L100-L104 HydrophobicContact CD1-CD2 4.4Å; L100-L104 HydrophobicContact CD1-CG 4.06Å; L100-L104 HydrophobicContact CD2-CD2 3.88Å; L100-L104 HydrophobicContact CD2-CG 4.42Å; L100-L104 HydrophobicContact CG-CD2 4.35Å; L100-L104 HydrophobicContact CG-CG 4.4Å; L100-S105 WeakPolarHBondContact O-CB 3.34Å; L100-A108 HydrophobicContact CD1-CB 3.65Å
101	P	96	Very high	95.8	Very high	100 Å²	100	64.7 Å²	64.7	65%	0.649	35%	0.346	S	S	*	.			trans	-79.8	149.2	-178.7	30.7	-35.1	0	0	0	112.9	E103 L104	P101-E103 PolarHBondContact O-N 3.35Å; P101-L104 WeakPolarHBondContact O-CB 3.26Å; P101-L104 PolarHBondContact O-N 3.42Å; P101-L104 VanDerWaalsContact O-N 3.16Å
102	G	95.2	Very high	95.7	Very high	52 Å²	52	66.3 Å²	66.3	54%	0.536	36%	0.363	S	S	.	.	H	α-helix	trans	52.9	-131.3	163.4	0	0	0	0	0	114.8	L104 S105	G102-L104 PolarHBondContact O-N 3.22Å; G102-S105 PolarHBondContact O-N 3.34Å; G102-S105 PolarHBondContact O-OG 3.15Å
103	E	95.8	Very high	95.5	Very high	106 Å²	106	66.1 Å²	66.1	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-31.4	-179.2	-67.8	-55.7	121.4	0	0	112.9	P101 S105 K106 H107	P101-E103 PolarHBondContact O-N 3.35Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.37Å; E103-K106 WeakPolarHBondContact O-CB 3.39Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-K106 WeakPolarHBondContact OE1-CE 3.4Å; E103-K106 IonicContact OE1-NZ 2.71Å; E103-K106 PolarHBondContact OE1-NZ 2.98Å; E103-H107 PolarHBondContact O-CD2 2.81Å; E103-H107 PolarHBondContact O-N 3.02Å
104	L	95.9	Very high	95.4	Very high	96 Å²	96	68.4 Å²	68.4	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-38.5	-179.4	-171.3	61.2	0	0	0	111.7	L100 P101 G102 A108	L100-L104 HydrophobicContact CB-CB 4.29Å; L100-L104 HydrophobicContact CB-CD2 4.14Å; L100-L104 HydrophobicContact CB-CG 4.05Å; L100-L104 HydrophobicContact CD1-CD2 4.4Å; L100-L104 HydrophobicContact CD1-CG 4.06Å; L100-L104 HydrophobicContact CD2-CD2 3.88Å; L100-L104 HydrophobicContact CD2-CG 4.42Å; L100-L104 HydrophobicContact CG-CD2 4.35Å; L100-L104 HydrophobicContact CG-CG 4.4Å; P101-L104 WeakPolarHBondContact O-CB 3.26Å; P101-L104 PolarHBondContact O-N 3.42Å; P101-L104 VanDerWaalsContact O-N 3.16Å; G102-L104 PolarHBondContact O-N 3.22Å; L104-A108 VanDerWaalsContact O-CB 3.26Å; L104-A108 WeakPolarHBondContact O-CB 3.23Å; L104-A108 PolarHBondContact O-N 3Å
105	S	95.5	Very high	95.1	Very high	21 Å²	21	69.2 Å²	69.2	15%	0.147	39%	0.385	C	S	.	.	H	α-helix	trans	-63.1	-42.2	174.3	71.5	0	0	0	0	112.5	L100 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.34Å; G102-S105 PolarHBondContact O-N 3.34Å; G102-S105 PolarHBondContact O-OG 3.15Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.37Å; S105-A108 PolarHBondContact O-N 3.05Å; S105-V109 WeakPolarHBondContact O-CB 3.15Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.42Å; S105-V109 PolarHBondContact O-N 2.7Å
106	K	95.6	Very high	94.8	Very high	128 Å²	128	73.6 Å²	73.6	56%	0.557	41%	0.411	S	S	*	.	H	α-helix	trans	-65.5	-47.1	-178.4	-62.7	-179.9	-174.1	167.8	0	110.3	E103 S110	E103-K106 WeakPolarHBondContact O-CB 3.39Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-K106 WeakPolarHBondContact OE1-CE 3.4Å; E103-K106 IonicContact OE1-NZ 2.71Å; E103-K106 PolarHBondContact OE1-NZ 2.98Å; K106-S110 VanDerWaalsContact O-CB 3.23Å; K106-S110 WeakPolarHBondContact O-CB 3.35Å; K106-S110 PolarHBondContact O-N 2.95Å
107	H	96.2	Very high	94.5	Very high	112 Å²	112	76.8 Å²	76.8	52%	0.519	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-48.8	175.7	-71.3	-68.6	0	0	0	111.6	E103 V109 S110 E111	E103-H107 PolarHBondContact O-CD2 2.81Å; E103-H107 PolarHBondContact O-N 3.02Å; H107-V109 PolarHBondContact O-N 2.87Å; H107-S110 PolarHBondContact O-N 2.91Å; H107-E111 WeakPolarHBondContact O-CB 3.32Å; H107-E111 WeakPolarHBondContact O-CG 3.48Å; H107-E111 PolarHBondContact O-N 3.26Å
108	A	95.6	Very high	94.3	Very high	34 Å²	34	78.2 Å²	78.2	28%	0.281	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-43.4	-178.3	0	0	0	0	0	112.8	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.59Å; L100-A108 HydrophobicContact CD1-CB 3.65Å; L104-A108 VanDerWaalsContact O-CB 3.26Å; L104-A108 WeakPolarHBondContact O-CB 3.23Å; L104-A108 PolarHBondContact O-N 3Å; S105-A108 PolarHBondContact O-N 3.05Å; A108-G112 PolarHBondContact O-N 2.95Å
109	V	94.8	Very high	94	Very high	20 Å²	20	82.6 Å²	82.6	12%	0.121	45%	0.452	C	S	.	.	H	α-helix	trans	-69.2	-40.1	177.3	174.6	0	0	0	0	111.6	V96 R97 S105 H107 G112 T113	V96-V109 HydrophobicContact CB-CG2 4.49Å; V96-V109 HydrophobicContact CG1-CG2 4.04Å; R97-V109 HydrophobicContact CG-CG2 3.86Å; S105-V109 WeakPolarHBondContact O-CB 3.15Å; S105-V109 VanDerWaalsContact O-CG2 3.32Å; S105-V109 WeakPolarHBondContact O-CG2 3.42Å; S105-V109 PolarHBondContact O-N 2.7Å; H107-V109 PolarHBondContact O-N 2.87Å; V109-G112 PolarHBondContact O-N 3.46Å; V109-T113 PolarHBondContact O-N 3.25Å; V109-T113 PolarHBondContact O-OG1 2.97Å
110	S	94.9	Very high	93.8	Very high	55 Å²	55	84.1 Å²	84.1	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-62.4	-50.7	177.1	-172.7	0	0	0	0	111.4	K106 H107 G112 T113 K114	K106-S110 VanDerWaalsContact O-CB 3.23Å; K106-S110 WeakPolarHBondContact O-CB 3.35Å; K106-S110 PolarHBondContact O-N 2.95Å; H107-S110 PolarHBondContact O-N 2.91Å; S110-G112 PolarHBondContact O-N 2.85Å; S110-T113 PolarHBondContact O-N 3.4Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 3.01Å
111	E	94.1	Very high	93.8	Very high	101 Å²	101	86.6 Å²	86.6	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177.9	-68.7	-52.6	126.5	0	0	111.8	H107 T113 K114 A115	H107-E111 WeakPolarHBondContact O-CB 3.32Å; H107-E111 WeakPolarHBondContact O-CG 3.48Å; H107-E111 PolarHBondContact O-N 3.26Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 3.36Å; E111-K114 PolarHBondContact O-N 3.47Å; E111-K114 IonicContact OE1-NZ 2.75Å; E111-K114 PolarHBondContact OE1-NZ 2.91Å; E111-A115 VanDerWaalsContact O-CB 3.32Å; E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3.39Å
112	G	92.9	Very high	93.5	Very high	36 Å²	36	86 Å²	86	37%	0.371	49%	0.488	S	S	.	.	H	α-helix	trans	-58.9	-43.6	173.8	0	0	0	0	0	112.5	A108 V109 S110 A115 V116	A108-G112 PolarHBondContact O-N 2.95Å; V109-G112 PolarHBondContact O-N 3.46Å; S110-G112 PolarHBondContact O-N 2.85Å; G112-A115 PolarHBondContact O-N 3.46Å; G112-V116 WeakPolarHBondContact O-CG2 3.34Å; G112-V116 PolarHBondContact O-N 3.13Å
113	T	91.9	Very high	91.9	Very high	66 Å²	66	95.5 Å²	95.5	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-44.2	178.7	-53.6	0	0	0	0	111.5	V109 S110 E111 A115 V116 T117	V109-T113 PolarHBondContact O-N 3.25Å; V109-T113 PolarHBondContact O-OG1 2.97Å; S110-T113 PolarHBondContact O-N 3.4Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 3.36Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 2.99Å; T113-V116 PolarHBondContact O-N 3.1Å; T113-T117 PolarHBondContact O-N 3.16Å; T113-T117 PolarHBondContact O-OG1 3.06Å
114	K	92.4	Very high	91.7	Very high	116 Å²	116	95 Å²	95	50%	0.504	52%	0.515	S	S	.	.	H	α-helix	trans	-59.6	-41.8	174.3	-67.6	173.8	-167.2	168.9	0	111.8	S110 E111 T117 K118	S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 3.01Å; E111-K114 PolarHBondContact O-N 3.47Å; E111-K114 IonicContact OE1-NZ 2.75Å; E111-K114 PolarHBondContact OE1-NZ 2.91Å; K114-T117 PolarHBondContact O-N 3.45Å; K114-K118 PolarHBondContact O-N 3.29Å
115	A	90.6	Very high	91.5	Very high	57 Å²	57	94.9 Å²	94.9	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-39.5	179.5	0	0	0	0	0	112.1	E111 G112 T113 K118 Y119	E111-A115 VanDerWaalsContact O-CB 3.32Å; E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3.39Å; G112-A115 PolarHBondContact O-N 3.46Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 2.99Å; A115-K118 PolarHBondContact O-N 3.11Å; A115-Y119 WeakPolarHBondContact O-CB 3.48Å; A115-Y119 PolarHBondContact O-N 3.25Å
116	V	89.4	Confident	91.2	Very high	91 Å²	91	99 Å²	99	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-60.7	-48.3	174.9	171.8	0	0	0	0	110.7	G112 T113 K118 Y119 T120	G112-V116 WeakPolarHBondContact O-CG2 3.34Å; G112-V116 PolarHBondContact O-N 3.13Å; T113-V116 PolarHBondContact O-N 3.1Å; V116-K118 PolarHBondContact O-N 2.75Å; V116-Y119 PolarHBondContact O-N 2.95Å; V116-T120 PolarHBondContact O-N 2.82Å; V116-T120 PolarHBondContact O-OG1 3.25Å
117	T	91.2	Very high	91	Very high	84 Å²	84	97.3 Å²	97.3	52%	0.515	54%	0.535	S	S	.	.	H	α-helix	trans	-58.2	-48.2	177.1	-55.2	0	0	0	0	111.5	T113 K114 Y119 T120 S121	T113-T117 PolarHBondContact O-N 3.16Å; T113-T117 PolarHBondContact O-OG1 3.06Å; K114-T117 PolarHBondContact O-N 3.45Å; T117-Y119 VanDerWaalsContact C-N 3.31Å; T117-Y119 PolarHBondContact O-N 3.04Å; T117-T120 WeakPolarHBondContact CA-OG1 3.49Å; T117-T120 PolarHBondContact O-N 3.29Å; T117-T120 PolarHBondContact O-OG1 2.75Å; T117-S121 PolarHBondContact O-N 2.76Å; T117-S121 PolarHBondContact O-OG 3.23Å; T117-S121 VanDerWaalsContact O-OG 3.13Å
118	K	93.1	Very high	90.7	Very high	165 Å²	165	96.4 Å²	96.4	72%	0.717	54%	0.536	S	S	*	.	H	α-helix	trans	-60.1	-41.7	177.8	-177.6	176.1	-179.7	175.2	0	112.1	K114 A115 V116 T120 S121 A122	K114-K118 PolarHBondContact O-N 3.29Å; A115-K118 PolarHBondContact O-N 3.11Å; V116-K118 PolarHBondContact O-N 2.75Å; K118-T120 VanDerWaalsContact C-N 3.35Å; K118-S121 PolarHBondContact O-N 3.23Å; K118-A122 WeakPolarHBondContact O-CB 3.47Å; K118-A122 PolarHBondContact O-N 3.37Å; K118-A122 VanDerWaalsContact O-N 3.13Å
119	Y	90.7	Very high	90.3	Very high	194 Å²	194	100.5 Å²	100.5	76%	0.761	55%	0.553	S	S	*	*	H	α-helix	trans	-63.6	-41.8	178.6	-178.2	-99.2	0	0	0	111.6	A115 V116 T117	A115-Y119 WeakPolarHBondContact O-CB 3.48Å; A115-Y119 PolarHBondContact O-N 3.25Å; V116-Y119 PolarHBondContact O-N 2.95Å; T117-Y119 VanDerWaalsContact C-N 3.31Å; T117-Y119 PolarHBondContact O-N 3.04Å
120	T	93	Very high	90	Very high	93 Å²	93	106.3 Å²	106.3	57%	0.571	58%	0.584	S	S	*	*	H	α-helix	trans	-68.2	-32.1	177.8	50.4	0	0	0	0	113.4	V116 T117 K118	V116-T120 PolarHBondContact O-N 2.82Å; V116-T120 PolarHBondContact O-OG1 3.25Å; T117-T120 WeakPolarHBondContact CA-OG1 3.49Å; T117-T120 PolarHBondContact O-N 3.29Å; T117-T120 PolarHBondContact O-OG1 2.75Å; K118-T120 VanDerWaalsContact C-N 3.35Å
121	S	94.2	Very high	89.6	Confident	91 Å²	91	110.2 Å²	110.2	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-84.8	-15.6	-179.8	-55.7	0	0	0	0	114.6	T117 K118 K123	T117-S121 PolarHBondContact O-N 2.76Å; T117-S121 PolarHBondContact O-OG 3.23Å; T117-S121 VanDerWaalsContact O-OG 3.13Å; K118-S121 PolarHBondContact O-N 3.23Å; S121-K123 VanDerWaalsContact C-N 3.28Å; S121-K123 PolarHBondContact O-N 2.71Å
122	A	89.8	Confident	89.3	Confident	88 Å²	88	111 Å²	111	73%	0.727	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	7.9	-175.8	0	0	0	0	0	114.1	K118	K118-A122 WeakPolarHBondContact O-CB 3.47Å; K118-A122 PolarHBondContact O-N 3.37Å; K118-A122 VanDerWaalsContact O-N 3.13Å
123	K	62	Low	88.9	Confident	251 Å²	251	117.8 Å²	117.8	100%	1.091	63%	0.632	S	S	*	*			trans	-110.7	0	178.6	-169.7	-179.4	-178.6	-176.9	0	110.1	S121	S121-K123 VanDerWaalsContact C-N 3.28Å; S121-K123 PolarHBondContact O-N 2.71Å

Retrieved 123 of 123 residues in 22.8 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).