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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 A0A077ZJK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZJK9_TRITR|A0A077ZJK9
MAGKAVVKGVKKAGKAQKVSKGGDKKRRKSRKESFATYIYKVLKQVHPDTGISSKAMSIMNSFVNDVFDRIGAEASRLAHYNNRHTISSREIQTAVRLLLPGELSKHAVSEGTKAVTKYTSAK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	50.5	Low	247 Å²	247	150.3 Å²	150.3	100%	1.217	89%	0.89	S	S	*	*				0	123.5	0	-71.2	-81.5	-161.4	0	0	107.5
2	A	48.9	Very low	50.2	Low	107 Å²	107	155.1 Å²	155.1	88%	0.884	89%	0.891	S	S	*	*			trans	-78.2	141.2	-150.5	0	0	0	0	0	116
3	G	44.9	Very low	50.1	Low	79 Å²	79	151.2 Å²	151.2	81%	0.814	89%	0.888	S	S	*	*			trans	-82.6	144.4	167.3	0	0	0	0	0	112.2
4	K	51.3	Low	50	Low	213 Å²	213	145.9 Å²	145.9	93%	0.926	88%	0.882	S	S	*	*			trans	-109.2	106.5	172.1	-109.1	176.7	175	177.2	0	109
5	A	53	Low	49.8	Very low	98 Å²	98	149.7 Å²	149.7	81%	0.81	88%	0.882	S	S	*	*	P	Polyproline II helix	trans	-84.6	130.9	167.7	0	0	0	0	0	109.7
6	V	58.5	Low	49.8	Very low	146 Å²	146	146.6 Å²	146.6	89%	0.885	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-89.6	120	179.5	-174.8	0	0	0	0	108.9
7	V	57.8	Low	50	Low	138 Å²	138	149.1 Å²	149.1	84%	0.836	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-76.5	128.6	-175.9	-173.9	0	0	0	0	110.5	G9	V7-G9 PolarHBondContact O-N 3.26Å
8	K	46.4	Very low	50	Low	199 Å²	199	152.2 Å²	152.2	87%	0.865	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-72.8	118	-179.3	-144.4	172.8	-173.5	174.5	0	109.8	V10	K8-V10 PolarHBondContact O-N 3.15Å
9	G	45.2	Very low	50.3	Low	76 Å²	76	151.6 Å²	151.6	78%	0.784	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-67.1	124.5	178.7	0	0	0	0	0	113	V7	V7-G9 PolarHBondContact O-N 3.26Å
10	V	53.9	Low	50.4	Low	141 Å²	141	149.4 Å²	149.4	86%	0.855	87%	0.871	S	S	*	*			trans	-84.8	113.1	173.9	178.3	0	0	0	0	108.9	K8 K12	K8-V10 PolarHBondContact O-N 3.15Å; V10-K12 PolarHBondContact O-N 3.13Å
11	K	51.6	Low	50.2	Low	209 Å²	209	152.6 Å²	152.6	91%	0.909	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-73.2	119.2	171.9	-96	-179.4	174.8	175.8	0	109.9
12	K	46.4	Very low	50.4	Low	208 Å²	208	144.2 Å²	144.2	90%	0.904	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-54	137.4	171.7	-91.8	176.7	173.4	173.9	0	112	V10 G14	V10-K12 PolarHBondContact O-N 3.13Å; K12-G14 PolarHBondContact O-N 3.34Å
13	A	48.9	Very low	50.2	Low	104 Å²	104	141.6 Å²	141.6	86%	0.86	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-55	126.2	172	0	0	0	0	0	111.8
14	G	48.5	Very low	50.4	Low	77 Å²	77	145.8 Å²	145.8	79%	0.794	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-75.1	142	175.6	0	0	0	0	0	112.1	K12	K12-G14 PolarHBondContact O-N 3.34Å
15	K	47.9	Very low	50.6	Low	203 Å²	203	143.7 Å²	143.7	88%	0.883	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-47.1	138.1	-175.7	-71.8	170	171.4	176	0	114.3	Q17	K15-Q17 PolarHBondContact O-N 3.21Å
16	A	48.7	Very low	50.8	Low	101 Å²	101	148.6 Å²	148.6	84%	0.835	83%	0.833	S	S	*	*			trans	-54.8	115.7	166.2	0	0	0	0	0	111.1	K18	A16-K18 PolarHBondContact O-N 3.44Å
17	Q	54.5	Low	50.6	Low	189 Å²	189	153.4 Å²	153.4	88%	0.883	84%	0.835	S	S	*	*			trans	-73.2	113.6	167	-86.9	177.5	-64.3	0	0	109.1	K15 V19	K15-Q17 PolarHBondContact O-N 3.21Å; Q17-V19 PolarHBondContact O-N 3.46Å; Q17-V19 VanDerWaalsContact O-N 3.15Å
18	K	49.5	Very low	50.7	Low	205 Å²	205	157 Å²	157	89%	0.891	83%	0.834	S	S	*	*			trans	-54.7	114.3	162.7	-100.7	179.1	175.8	179	0	108.5	A16 S20	A16-K18 PolarHBondContact O-N 3.44Å; K18-S20 PolarHBondContact O-N 3.42Å; K18-S20 VanDerWaalsContact O-N 3.13Å
19	V	54.6	Low	51.3	Low	141 Å²	141	156.7 Å²	156.7	86%	0.855	83%	0.833	S	S	*	*			trans	-69.8	105.8	170.2	-159.1	0	0	0	0	107	Q17 K21	Q17-V19 PolarHBondContact O-N 3.46Å; Q17-V19 VanDerWaalsContact O-N 3.15Å; V19-K21 PolarHBondContact O-N 3.49Å
20	S	52.3	Low	52	Low	106 Å²	106	158.1 Å²	158.1	74%	0.741	83%	0.83	S	S	*	*			trans	-63.8	118.2	172.9	37.1	0	0	0	0	109.1	K18 G22	K18-S20 PolarHBondContact O-N 3.42Å; K18-S20 VanDerWaalsContact O-N 3.13Å; S20-G22 PolarHBondContact O-N 3.25Å
21	K	47.1	Very low	52.5	Low	217 Å²	217	161.5 Å²	161.5	94%	0.943	83%	0.828	S	S	*	*			trans	-66.5	80.5	162.4	-90.4	-178.5	172.9	174.7	0	107.9	V19 G23	V19-K21 PolarHBondContact O-N 3.49Å; K21-G23 PolarHBondContact O-N 2.83Å
22	G	48.6	Very low	53.3	Low	72 Å²	72	160.2 Å²	160.2	74%	0.742	82%	0.822	S	S	*	*			trans	-68.5	110.8	170.6	0	0	0	0	0	109.3	S20	S20-G22 PolarHBondContact O-N 3.25Å
23	G	43.8	Very low	54.9	Low	51 Å²	51	159.7 Å²	159.7	53%	0.526	82%	0.823	S	S	.	*			trans	-65.2	167	-177.1	0	0	0	0	0	115.5	K21 K25	K21-G23 PolarHBondContact O-N 2.83Å; G23-K25 VanDerWaalsContact C-N 3.33Å; G23-K25 PolarHBondContact O-N 3.06Å
24	D	48.7	Very low	56.9	Low	168 Å²	168	157.1 Å²	157.1	90%	0.898	80%	0.799	S	S	*	*			trans	48	37.2	148	-58.5	-57	0	0	0	118.6	K26	D24-K26 VanDerWaalsContact C-N 3.29Å; D24-K26 PolarHBondContact O-N 3.04Å
25	K	56.9	Low	59.1	Low	169 Å²	169	156.6 Å²	156.6	74%	0.735	78%	0.775	S	S	*	*			trans	-77.2	88.3	155.6	-78.5	179.4	-178.2	168	0	108.6	G23 R27	G23-K25 VanDerWaalsContact C-N 3.33Å; G23-K25 PolarHBondContact O-N 3.06Å; K25-R27 PolarHBondContact O-N 2.99Å
26	K	57.2	Low	61.3	Low	201 Å²	201	148.3 Å²	148.3	87%	0.874	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-3	101.1	159.1	-92.3	179.7	174.2	173.8	0	110.8	D24 R28	D24-K26 VanDerWaalsContact C-N 3.29Å; D24-K26 PolarHBondContact O-N 3.04Å; K26-R28 PolarHBondContact O-N 2.97Å
27	R	54.5	Low	63.4	Low	247 Å²	247	147 Å²	147	93%	0.932	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-6.4	89.4	176.8	-75.1	177.6	173.8	169.4	-2.7	111.1	K25 K29	K25-R27 PolarHBondContact O-N 2.99Å; R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.34Å
28	R	59.5	Low	65.3	Low	214 Å²	214	145 Å²	145	81%	0.808	71%	0.711	S	S	*	*			trans	-54.7	106.8	170.2	-86.1	-175.2	166.3	-178.8	-4.9	105	K26 S30	K26-R28 PolarHBondContact O-N 2.97Å; R28-S30 PolarHBondContact O-N 2.85Å
29	K	59.2	Low	67.6	Low	192 Å²	192	136.2 Å²	136.2	84%	0.835	67%	0.674	S	S	*	*			trans	-44.2	119.4	178.7	-167.5	172.2	-173.7	173.4	0	105.9	R27 R31	R27-K29 VanDerWaalsContact C-N 3.31Å; R27-K29 PolarHBondContact O-N 3.34Å; K29-R31 PolarHBondContact O-N 2.79Å
30	S	58.6	Low	69.5	Low	105 Å²	105	135.1 Å²	135.1	73%	0.734	66%	0.655	S	S	*	*			trans	-42.1	120.8	-177.4	179.6	0	0	0	0	107.7	R28 K32	R28-S30 PolarHBondContact O-N 2.85Å; S30-K32 PolarHBondContact O-N 3.29Å
31	R	64.8	Low	71.6	Confident	212 Å²	212	136.3 Å²	136.3	80%	0.8	65%	0.647	S	S	*	*			trans	-61.1	107.6	-175.1	-178.2	179.6	-175.3	171.8	0.8	105.7	K29 E33	K29-R31 PolarHBondContact O-N 2.79Å; R31-E33 PolarHBondContact O-N 3.03Å; R31-E33 VanDerWaalsContact O-N 3.08Å
32	K	68.6	Low	73.9	Confident	183 Å²	183	130.2 Å²	130.2	80%	0.796	63%	0.627	S	S	*	*			trans	-60.5	117.7	172	-72	-169.1	174.4	-168.5	0	106.6	S30 S34	S30-K32 PolarHBondContact O-N 3.29Å; K32-S34 PolarHBondContact O-N 2.9Å
33	E	79.5	Confident	76.2	Confident	197 Å²	197	128.4 Å²	128.4	92%	0.921	60%	0.6	S	S	*	*			trans	-58.9	121.7	170	-66.5	-177	161.7	0	0	107.2	R31	R31-E33 PolarHBondContact O-N 3.03Å; R31-E33 VanDerWaalsContact O-N 3.08Å
34	S	91.8	Very high	78.8	Confident	50 Å²	50	129.1 Å²	129.1	35%	0.35	59%	0.589	S	S	.	*			trans	-152.1	144.6	-174.2	171.5	0	0	0	0	109.2	K32 A36 N61	K32-S34 PolarHBondContact O-N 2.9Å; S34-A36 PolarHBondContact O-N 3.39Å; S34-A36 WeakPolarHBondContact OG-CB 3.17Å; S34-A36 PolarHBondContact OG-N 3.41Å; S34-A36 VanDerWaalsContact OG-N 3.13Å; S34-N61 WeakPolarHBondContact CA-OD1 3.36Å; S34-N61 PolarHBondContact OG-OD1 2.93Å
35	F	94.1	Very high	81.1	Confident	66 Å²	66	129 Å²	129	29%	0.289	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	0.5	175.4	-64.9	-78.7	0	0	0	113.2	T37 Y38 I39 N61 V64 N65	F35-T37 VanDerWaalsContact C-N 3.28Å; F35-T37 PolarHBondContact O-N 2.94Å; F35-T37 VanDerWaalsContact O-N 3.14Å; F35-Y38 HydrophobicContact CD1-CD2 4.2Å; F35-Y38 PolarHBondContact O-N 3.48Å; F35-I39 HydrophobicContact CB-CD1 3.98Å; F35-I39 HydrophobicContact CB-CG1 4.32Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 2.92Å; F35-N61 PolarHBondContact N-OD1 3.25Å; F35-V64 HydrophobicContact CB-CB 4.49Å; F35-V64 HydrophobicContact CB-CG1 4.22Å; F35-V64 HydrophobicContact CD1-CG1 3.9Å; F35-V64 HydrophobicContact CD2-CB 4.06Å; F35-V64 HydrophobicContact CD2-CG1 3.5Å; F35-V64 VanDerWaalsContact CD2-CG1 3.5Å; F35-V64 HydrophobicContact CE1-CG1 4.11Å; F35-V64 HydrophobicContact CE2-CG1 3.73Å; F35-V64 HydrophobicContact CG-CB 4.27Å; F35-V64 HydrophobicContact CG-CG1 3.59Å; F35-V64 HydrophobicContact CZ-CG1 4.02Å; F35-N65 VanDerWaalsContact CE2-OD1 3.23Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.35Å
36	A	94	Very high	83	Confident	29 Å²	29	125.3 Å²	125.3	24%	0.24	58%	0.575	C	S	.	*	H	α-helix	trans	-53.4	-40	-173.6	0	0	0	0	0	114	S34 Y38 Y40 M57	S34-A36 PolarHBondContact O-N 3.39Å; S34-A36 WeakPolarHBondContact OG-CB 3.17Å; S34-A36 PolarHBondContact OG-N 3.41Å; S34-A36 VanDerWaalsContact OG-N 3.13Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.35Å; A36-Y40 WeakPolarHBondContact O-CB 3.26Å; A36-Y40 PolarHBondContact O-N 3.01Å; A36-M57 HydrophobicContact CB-CE 4.5Å; A36-M57 HydrophobicContact CB-CG 3.98Å; A36-M57 HydrophobicContact CB-SD 3.75Å
37	T	94.1	Very high	84.9	Confident	72 Å²	72	120.7 Å²	120.7	44%	0.442	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-39.8	176.9	-56	0	0	0	0	111.9	F35 K41	F35-T37 VanDerWaalsContact C-N 3.28Å; F35-T37 PolarHBondContact O-N 2.94Å; F35-T37 VanDerWaalsContact O-N 3.14Å; T37-K41 WeakPolarHBondContact O-CG 3.47Å; T37-K41 PolarHBondContact O-N 3.22Å; T37-K41 VanDerWaalsContact O-N 3.08Å
38	Y	94.5	Very high	86.9	Confident	148 Å²	148	112.7 Å²	112.7	58%	0.58	54%	0.536	S	S	*	.	H	α-helix	trans	-76.2	-40.4	-179.1	-54.9	-73.4	0	0	0	111.5	F35 A36 Y40 K41 V42	F35-Y38 HydrophobicContact CD1-CD2 4.2Å; F35-Y38 PolarHBondContact O-N 3.48Å; A36-Y38 VanDerWaalsContact C-N 3.33Å; A36-Y38 PolarHBondContact O-N 3.35Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 3.03Å; Y38-K41 PolarHBondContact O-N 2.87Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; Y38-V42 WeakPolarHBondContact O-CG2 3.49Å; Y38-V42 PolarHBondContact O-N 3.2Å
39	I	96.3	Very high	88.7	Confident	21 Å²	21	110.2 Å²	110.2	11%	0.108	54%	0.539	C	S	.	.	H	α-helix	trans	-56.1	-46	173.4	-65.3	161.5	0	0	0	109.7	F35 V42 L43 I52 M57 M60 N61	F35-I39 HydrophobicContact CB-CD1 3.98Å; F35-I39 HydrophobicContact CB-CG1 4.32Å; F35-I39 WeakPolarHBondContact O-CG1 3.48Å; F35-I39 PolarHBondContact O-N 2.92Å; I39-V42 PolarHBondContact O-N 3.16Å; I39-L43 WeakPolarHBondContact O-CB 3.34Å; I39-L43 PolarHBondContact O-N 3.23Å; I39-I52 HydrophobicContact CG2-CD1 4.35Å; I39-M57 HydrophobicContact CB-SD 3.89Å; I39-M57 HydrophobicContact CD1-SD 4.1Å; I39-M57 HydrophobicContact CG2-CE 4.27Å; I39-M57 HydrophobicContact CG2-SD 3.74Å; I39-M60 HydrophobicContact CD1-CB 3.81Å; I39-M60 HydrophobicContact CG1-CB 4.45Å; I39-M60 HydrophobicContact CG2-CB 4.11Å; I39-M60 HydrophobicContact CG2-CG 4.46Å; I39-N61 HydrophobicContact CD1-CB 4.28Å
40	Y	96.2	Very high	90.5	Very high	117 Å²	117	104.3 Å²	104.3	46%	0.459	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-40.9	177.3	-170.7	-99.9	0	0	0	113.2	A36 Y38 L43 K44 I52	A36-Y40 WeakPolarHBondContact O-CB 3.26Å; A36-Y40 PolarHBondContact O-N 3.01Å; Y38-Y40 VanDerWaalsContact C-N 3.27Å; Y38-Y40 PolarHBondContact O-N 3.03Å; Y40-L43 PolarHBondContact O-N 3.21Å; Y40-K44 HydrophobicContact CD1-CG 4.25Å; Y40-K44 HydrophobicContact CE1-CG 3.79Å; Y40-K44 HydrophobicContact CE2-CG 4.31Å; Y40-K44 PolarHBondContact O-N 2.88Å; Y40-K44 WeakPolarHBondContact OH-CE 3.3Å; Y40-I52 HydrophobicContact CD2-CG2 4.44Å
41	K	95.7	Very high	92.3	Very high	132 Å²	132	102.1 Å²	102.1	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-60.7	-45.5	176.2	-78.8	177.7	177.5	-174.4	0	112	T37 Y38 K44 Q45	T37-K41 WeakPolarHBondContact O-CG 3.47Å; T37-K41 PolarHBondContact O-N 3.22Å; T37-K41 VanDerWaalsContact O-N 3.08Å; Y38-K41 PolarHBondContact O-N 2.87Å; Y38-K41 VanDerWaalsContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 3.08Å; K41-Q45 WeakPolarHBondContact O-CB 3.23Å; K41-Q45 PolarHBondContact O-N 2.5Å; K41-Q45 VanDerWaalsContact O-N 3.09Å
42	V	95.7	Very high	93.9	Very high	88 Å²	88	94.6 Å²	94.6	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-66.5	-43.1	177.9	175.5	0	0	0	0	110.5	Y38 I39 K44 Q45 V46	Y38-V42 WeakPolarHBondContact O-CG2 3.49Å; Y38-V42 PolarHBondContact O-N 3.2Å; I39-V42 PolarHBondContact O-N 3.16Å; V42-K44 PolarHBondContact O-N 3.14Å; V42-Q45 WeakPolarHBondContact O-CB 3.5Å; V42-Q45 PolarHBondContact O-N 3.23Å; V42-Q45 VanDerWaalsContact O-N 3.14Å; V42-V46 WeakPolarHBondContact O-CG2 3.48Å; V42-V46 PolarHBondContact O-N 3.07Å; V42-V46 VanDerWaalsContact O-N 3.11Å
43	L	97.2	Very high	95.2	Very high	34 Å²	34	89.2 Å²	89.2	18%	0.178	47%	0.474	C	S	.	.	H	α-helix	trans	-56.1	-48.9	176	176.4	64.6	0	0	0	111.6	I39 Y40 Q45 V46 H47 T50 I52	I39-L43 WeakPolarHBondContact O-CB 3.34Å; I39-L43 PolarHBondContact O-N 3.23Å; Y40-L43 PolarHBondContact O-N 3.21Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 2.59Å; L43-V46 PolarHBondContact O-N 3.44Å; L43-H47 HydrophobicContact CD1-CB 4.35Å; L43-H47 CarbonylContact O-C 3.48Å; L43-H47 WeakPolarHBondContact O-CA 3.21Å; L43-H47 PolarHBondContact O-N 2.77Å; L43-T50 HydrophobicContact CD1-CG2 4.48Å; L43-I52 HydrophobicContact CD2-CB 3.7Å; L43-I52 HydrophobicContact CD2-CG2 3.69Å
44	K	97.6	Very high	96	Very high	67 Å²	67	85.1 Å²	85.1	29%	0.291	47%	0.466	S	S	.	.	H	α-helix	trans	-70.3	-21.7	-180	-70.2	-54.4	-167.9	-175	0	114	Y40 K41 V42 P48 T50	Y40-K44 HydrophobicContact CD1-CG 4.25Å; Y40-K44 HydrophobicContact CE1-CG 3.79Å; Y40-K44 HydrophobicContact CE2-CG 4.31Å; Y40-K44 PolarHBondContact O-N 2.88Å; Y40-K44 WeakPolarHBondContact OH-CE 3.3Å; K41-K44 PolarHBondContact O-N 3.08Å; V42-K44 PolarHBondContact O-N 3.14Å; K44-P48 WeakPolarHBondContact CD-O 3.48Å; K44-P48 PolarHBondContact NZ-O 3.4Å; K44-T50 PolarHBondContact NZ-O 2.9Å
45	Q	96.4	Very high	96.3	Very high	166 Å²	166	90.3 Å²	90.3	78%	0.776	48%	0.483	S	S	*	.	H	α-helix	trans	-74.1	-33.6	172.6	-174.4	179	-26.4	0	0	112.2	K41 V42 L43	K41-Q45 WeakPolarHBondContact O-CB 3.23Å; K41-Q45 PolarHBondContact O-N 2.5Å; K41-Q45 VanDerWaalsContact O-N 3.09Å; V42-Q45 WeakPolarHBondContact O-CB 3.5Å; V42-Q45 PolarHBondContact O-N 3.23Å; V42-Q45 VanDerWaalsContact O-N 3.14Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 2.59Å
46	V	97.5	Very high	96.4	Very high	91 Å²	91	88.6 Å²	88.6	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-95.5	-38.5	-177.3	-176.6	0	0	0	0	112.4	V42 L43	V42-V46 WeakPolarHBondContact O-CG2 3.48Å; V42-V46 PolarHBondContact O-N 3.07Å; V42-V46 VanDerWaalsContact O-N 3.11Å; L43-V46 PolarHBondContact O-N 3.44Å
47	H	97.2	Very high	96.5	Very high	103 Å²	103	88.8 Å²	88.8	48%	0.477	48%	0.477	S	S	.	.			trans	-135.4	83.8	-178.8	-61.8	-62.3	0	0	0	111.2	L43 D49 T50	L43-H47 HydrophobicContact CD1-CB 4.35Å; L43-H47 CarbonylContact O-C 3.48Å; L43-H47 WeakPolarHBondContact O-CA 3.21Å; L43-H47 PolarHBondContact O-N 2.77Å; H47-D49 VanDerWaalsContact C-N 3.26Å; H47-D49 PolarHBondContact O-N 2.86Å; H47-T50 PolarHBondContact O-N 3.41Å
48	P	97.3	Very high	96.6	Very high	80 Å²	80	88.8 Å²	88.8	52%	0.519	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.4	-177.2	-26.5	35.6	0	0	0	114	K44	K44-P48 WeakPolarHBondContact CD-O 3.48Å; K44-P48 PolarHBondContact NZ-O 3.4Å
49	D	97.3	Very high	96.8	Very high	162 Å²	162	86.7 Å²	86.7	87%	0.866	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-3	-174	-53.2	-44.9	0	0	0	113.7	H47	H47-D49 VanDerWaalsContact C-N 3.26Å; H47-D49 PolarHBondContact O-N 2.86Å
50	T	96.8	Very high	96.8	Very high	68 Å²	68	89.4 Å²	89.4	42%	0.417	49%	0.491	S	S	.	.			trans	-97.7	139.1	-178.5	-60.7	0	0	0	0	111.5	L43 K44 H47	L43-T50 HydrophobicContact CD1-CG2 4.48Å; K44-T50 PolarHBondContact NZ-O 2.9Å; H47-T50 PolarHBondContact O-N 3.41Å
51	G	96.1	Very high	96.8	Very high	59 Å²	59	85 Å²	85	61%	0.608	48%	0.476	S	S	*	.			trans	-102.1	168.8	170.5	0	0	0	0	0	112.1
52	I	97.3	Very high	96.9	Very high	54 Å²	54	81.9 Å²	81.9	28%	0.277	47%	0.471	S	S	.	.			trans	-129.1	134.2	175.3	-174	170.9	0	0	0	109.6	I39 Y40 L43 A56 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.35Å; Y40-I52 HydrophobicContact CD2-CG2 4.44Å; L43-I52 HydrophobicContact CD2-CB 3.7Å; L43-I52 HydrophobicContact CD2-CG2 3.69Å; I52-A56 HydrophobicContact CD1-CB 4.05Å; I52-A56 HydrophobicContact CG1-CB 3.59Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; I52-M60 HydrophobicContact CD1-CG 4.24Å
53	S	97.4	Very high	96.9	Very high	70 Å²	70	83.5 Å²	83.5	49%	0.49	47%	0.471	S	S	.	.			trans	-71	159.3	177.8	72.8	0	0	0	0	111.6	K55 A56 M57	S53-K55 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 3.37Å; S53-A56 PolarHBondContact O-N 2.99Å; S53-A56 WeakPolarHBondContact OG-CB 3.41Å; S53-A56 PolarHBondContact OG-N 3.25Å; S53-A56 VanDerWaalsContact OG-N 3.14Å; S53-M57 WeakPolarHBondContact O-CB 3.25Å; S53-M57 PolarHBondContact O-N 3.45Å
54	S	95.7	Very high	96.9	Very high	110 Å²	110	83.9 Å²	83.9	77%	0.769	47%	0.474	S	S	*	.	H	α-helix	trans	-60.6	-38.1	176.2	56.6	0	0	0	0	112.5	M57 S58	S54-M57 PolarHBondContact O-N 3.43Å; S54-S58 PolarHBondContact O-N 3.41Å
55	K	97.1	Very high	96.8	Very high	159 Å²	159	83.6 Å²	83.6	69%	0.691	48%	0.476	S	S	*	.	H	α-helix	trans	-63.8	-47.3	175.4	-171.9	175.8	-178.2	179.6	0	111.2	S53 M57 S58 I59	S53-K55 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 3.37Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 2.86Å; K55-S58 WeakPolarHBondContact O-CB 3.39Å; K55-S58 PolarHBondContact O-N 2.91Å; K55-I59 HydrophobicContact CG-CD1 4.32Å; K55-I59 WeakPolarHBondContact O-CG1 3.25Å; K55-I59 PolarHBondContact O-N 2.88Å
56	A	97.6	Very high	96.8	Very high	31 Å²	31	79 Å²	79	26%	0.256	46%	0.457	S	S	.	.	H	α-helix	trans	-63.9	-39.9	177	0	0	0	0	0	111.8	I52 S53 S58 I59 M60	I52-A56 HydrophobicContact CD1-CB 4.05Å; I52-A56 HydrophobicContact CG1-CB 3.59Å; S53-A56 PolarHBondContact O-N 2.99Å; S53-A56 WeakPolarHBondContact OG-CB 3.41Å; S53-A56 PolarHBondContact OG-N 3.25Å; S53-A56 VanDerWaalsContact OG-N 3.14Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 2.86Å; A56-I59 PolarHBondContact O-N 2.73Å; A56-M60 WeakPolarHBondContact O-CG 3.34Å; A56-M60 PolarHBondContact O-N 3.34Å
57	M	96.4	Very high	96.8	Very high	32 Å²	32	76.7 Å²	76.7	16%	0.158	44%	0.443	C	S	.	.	H	α-helix	trans	-59.2	-42	173.9	-175	63.5	78.4	0	0	111.9	A36 I39 I52 S53 S54 K55 M60 N61	A36-M57 HydrophobicContact CB-CE 4.5Å; A36-M57 HydrophobicContact CB-CG 3.98Å; A36-M57 HydrophobicContact CB-SD 3.75Å; I39-M57 HydrophobicContact CB-SD 3.89Å; I39-M57 HydrophobicContact CD1-SD 4.1Å; I39-M57 HydrophobicContact CG2-CE 4.27Å; I39-M57 HydrophobicContact CG2-SD 3.74Å; I52-M57 HydrophobicContact CG2-CE 3.56Å; S53-M57 WeakPolarHBondContact O-CB 3.25Å; S53-M57 PolarHBondContact O-N 3.45Å; S54-M57 PolarHBondContact O-N 3.43Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 2.86Å; M57-M60 PolarHBondContact O-N 3.48Å; M57-N61 WeakPolarHBondContact O-CB 3.43Å; M57-N61 PolarHBondContact O-N 3.32Å
58	S	95.9	Very high	96.7	Very high	73 Å²	73	77.9 Å²	77.9	51%	0.51	45%	0.447	S	S	.	.	H	α-helix	trans	-64	-42.5	176.2	-169	0	0	0	0	112	S54 K55 A56 N61 S62	S54-S58 PolarHBondContact O-N 3.41Å; K55-S58 WeakPolarHBondContact O-CB 3.39Å; K55-S58 PolarHBondContact O-N 2.91Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 2.86Å; S58-N61 PolarHBondContact O-N 2.83Å; S58-S62 PolarHBondContact O-N 3.22Å; S58-S62 PolarHBondContact O-OG 2.89Å
59	I	97.4	Very high	96.7	Very high	104 Å²	104	79.1 Å²	79.1	53%	0.533	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-47.7	177.2	-67.1	165.8	0	0	0	110.1	K55 A56 N61 S62 F63	K55-I59 HydrophobicContact CG-CD1 4.32Å; K55-I59 WeakPolarHBondContact O-CG1 3.25Å; K55-I59 PolarHBondContact O-N 2.88Å; A56-I59 PolarHBondContact O-N 2.73Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.41Å; I59-S62 PolarHBondContact O-N 2.92Å; I59-F63 WeakPolarHBondContact O-CB 3.44Å; I59-F63 PolarHBondContact O-N 3.13Å
60	M	97.5	Very high	96.7	Very high	77 Å²	77	77.9 Å²	77.9	38%	0.379	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-39.9	178.4	-71	-58.1	-63.5	0	0	112.3	I39 I52 A56 M57 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.81Å; I39-M60 HydrophobicContact CG1-CB 4.45Å; I39-M60 HydrophobicContact CG2-CB 4.11Å; I39-M60 HydrophobicContact CG2-CG 4.46Å; I52-M60 HydrophobicContact CD1-CG 4.24Å; A56-M60 WeakPolarHBondContact O-CG 3.34Å; A56-M60 PolarHBondContact O-N 3.34Å; M57-M60 PolarHBondContact O-N 3.48Å; M60-F63 HydrophobicContact CE-CD1 4.49Å; M60-F63 PolarHBondContact O-N 3.43Å; M60-V64 WeakPolarHBondContact O-CG2 3.26Å; M60-V64 PolarHBondContact O-N 3.2Å
61	N	96	Very high	96.7	Very high	25 Å²	25	76.2 Å²	76.2	13%	0.134	42%	0.42	C	S	.	.	H	α-helix	trans	-63.1	-43.8	175.7	-175.3	91.5	0	0	0	111.7	S34 F35 I39 M57 S58 I59 F63 V64 N65	S34-N61 WeakPolarHBondContact CA-OD1 3.36Å; S34-N61 PolarHBondContact OG-OD1 2.93Å; F35-N61 PolarHBondContact N-OD1 3.25Å; I39-N61 HydrophobicContact CD1-CB 4.28Å; M57-N61 WeakPolarHBondContact O-CB 3.43Å; M57-N61 PolarHBondContact O-N 3.32Å; S58-N61 PolarHBondContact O-N 2.83Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 3.41Å; N61-F63 VanDerWaalsContact C-N 3.34Å; N61-V64 PolarHBondContact O-N 3Å; N61-N65 PolarHBondContact ND2-ND2 3.17Å; N61-N65 PolarHBondContact O-N 3.34Å
62	S	96.7	Very high	96.8	Very high	67 Å²	67	74.9 Å²	74.9	47%	0.469	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-38.1	175.6	-61.1	0	0	0	0	112.3	S58 I59 N65 D66	S58-S62 PolarHBondContact O-N 3.22Å; S58-S62 PolarHBondContact O-OG 2.89Å; I59-S62 PolarHBondContact O-N 2.92Å; S62-N65 PolarHBondContact O-N 3.43Å; S62-D66 PolarHBondContact O-N 3.49Å
63	F	97	Very high	96.8	Very high	121 Å²	121	74.7 Å²	74.7	53%	0.531	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175	173.3	-112.1	0	0	0	111.9	I59 M60 N61 N65 D66 V67	I59-F63 WeakPolarHBondContact O-CB 3.44Å; I59-F63 PolarHBondContact O-N 3.13Å; M60-F63 HydrophobicContact CE-CD1 4.49Å; M60-F63 PolarHBondContact O-N 3.43Å; N61-F63 VanDerWaalsContact C-N 3.34Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 3.2Å; F63-D66 PolarHBondContact O-N 3.41Å; F63-V67 HydrophobicContact CD2-CG2 4.28Å; F63-V67 HydrophobicContact CE1-CG2 4.49Å; F63-V67 HydrophobicContact CE2-CG2 3.8Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.4Å; F63-V67 PolarHBondContact O-N 3.17Å; F63-V67 VanDerWaalsContact O-N 3.1Å
64	V	96.6	Very high	96.8	Very high	43 Å²	43	72.5 Å²	72.5	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-41.5	175.9	175	0	0	0	0	111.1	F35 M60 N61 V67 F68	F35-V64 HydrophobicContact CB-CB 4.49Å; F35-V64 HydrophobicContact CB-CG1 4.22Å; F35-V64 HydrophobicContact CD1-CG1 3.9Å; F35-V64 HydrophobicContact CD2-CB 4.06Å; F35-V64 HydrophobicContact CD2-CG1 3.5Å; F35-V64 VanDerWaalsContact CD2-CG1 3.5Å; F35-V64 HydrophobicContact CE1-CG1 4.11Å; F35-V64 HydrophobicContact CE2-CG1 3.73Å; F35-V64 HydrophobicContact CG-CB 4.27Å; F35-V64 HydrophobicContact CG-CG1 3.59Å; F35-V64 HydrophobicContact CZ-CG1 4.02Å; M60-V64 WeakPolarHBondContact O-CG2 3.26Å; M60-V64 PolarHBondContact O-N 3.2Å; N61-V64 PolarHBondContact O-N 3Å; V64-V67 PolarHBondContact O-N 3.1Å; V64-F68 WeakPolarHBondContact O-CB 3.36Å; V64-F68 PolarHBondContact O-N 3.03Å
65	N	96.2	Very high	96.9	Very high	61 Å²	61	67.3 Å²	67.3	33%	0.326	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-46.4	176.3	-73	-20.8	0	0	0	112.3	F35 N61 S62 F63 V67 F68 D69	F35-N65 VanDerWaalsContact CE2-OD1 3.23Å; F35-N65 WeakPolarHBondContact CE2-OD1 3.35Å; N61-N65 PolarHBondContact ND2-ND2 3.17Å; N61-N65 PolarHBondContact O-N 3.34Å; S62-N65 PolarHBondContact O-N 3.43Å; F63-N65 VanDerWaalsContact C-N 3.31Å; F63-N65 PolarHBondContact O-N 3.2Å; N65-V67 PolarHBondContact O-N 2.77Å; N65-F68 WeakPolarHBondContact O-CB 3.24Å; N65-F68 PolarHBondContact O-N 3.24Å; N65-D69 WeakPolarHBondContact O-CB 3.47Å; N65-D69 PolarHBondContact O-N 3.28Å
66	D	96.7	Very high	96.9	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-46.2	179	-179.3	22.2	0	0	0	111.4	S62 F63 F68 R70	S62-D66 PolarHBondContact O-N 3.49Å; F63-D66 PolarHBondContact O-N 3.41Å; D66-F68 PolarHBondContact O-N 3.39Å; D66-R70 VanDerWaalsContact CG-NH2 3.33Å; D66-R70 VanDerWaalsContact O-CG 3.24Å; D66-R70 WeakPolarHBondContact O-CG 3.29Å; D66-R70 PolarHBondContact O-N 3.09Å; D66-R70 VanDerWaalsContact O-N 3.08Å; D66-R70 IonicContact OD1-CZ 3.6Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 3.09Å; D66-R70 IonicContact OD1-NH2 2.77Å; D66-R70 PolarHBondContact OD1-NH2 2.79Å; D66-R70 VanDerWaalsContact OD1-NH2 3.1Å; D66-R70 IonicContact OD2-CZ 3.46Å; D66-R70 IonicContact OD2-NE 3.44Å; D66-R70 IonicContact OD2-NH2 3.1Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å
67	V	96.2	Very high	96.9	Very high	43 Å²	43	67 Å²	67	26%	0.261	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-39.9	176.4	176.9	0	0	0	0	111.5	F63 V64 N65 R70 I71	F63-V67 HydrophobicContact CD2-CG2 4.28Å; F63-V67 HydrophobicContact CE1-CG2 4.49Å; F63-V67 HydrophobicContact CE2-CG2 3.8Å; F63-V67 HydrophobicContact CZ-CG2 3.92Å; F63-V67 WeakPolarHBondContact O-CG2 3.4Å; F63-V67 PolarHBondContact O-N 3.17Å; F63-V67 VanDerWaalsContact O-N 3.1Å; V64-V67 PolarHBondContact O-N 3.1Å; N65-V67 PolarHBondContact O-N 2.77Å; V67-R70 PolarHBondContact O-N 3.06Å; V67-I71 HydrophobicContact CG1-CD1 3.76Å; V67-I71 HydrophobicContact CG1-CG1 4.42Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 2.99Å
68	F	96.1	Very high	97	Very high	128 Å²	128	66.7 Å²	66.7	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-61.8	-48.1	177.9	179.2	-91.2	0	0	0	111.8	V64 N65 D66 R70 I71 G72	V64-F68 WeakPolarHBondContact O-CB 3.36Å; V64-F68 PolarHBondContact O-N 3.03Å; N65-F68 WeakPolarHBondContact O-CB 3.24Å; N65-F68 PolarHBondContact O-N 3.24Å; D66-F68 PolarHBondContact O-N 3.39Å; F68-R70 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.43Å; F68-I71 PolarHBondContact O-N 2.94Å; F68-G72 PolarHBondContact O-N 2.93Å
69	D	96.6	Very high	97	Very high	106 Å²	106	63.4 Å²	63.4	57%	0.567	33%	0.333	S	S	*	.	H	α-helix	trans	-63.2	-41.1	179.6	-71.4	-19.3	0	0	0	111.1	N65 G72 A73	N65-D69 WeakPolarHBondContact O-CB 3.47Å; N65-D69 PolarHBondContact O-N 3.28Å; D69-G72 PolarHBondContact O-N 3.49Å; D69-A73 WeakPolarHBondContact O-CB 3.43Å; D69-A73 PolarHBondContact O-N 3.19Å
70	R	97.5	Very high	97	Very high	137 Å²	137	65.1 Å²	65.1	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-46.7	174.4	-70.6	175.4	-163.1	-156	7.3	112.2	D66 V67 F68 A73 E74 L99	D66-R70 VanDerWaalsContact CG-NH2 3.33Å; D66-R70 VanDerWaalsContact O-CG 3.24Å; D66-R70 WeakPolarHBondContact O-CG 3.29Å; D66-R70 PolarHBondContact O-N 3.09Å; D66-R70 VanDerWaalsContact O-N 3.08Å; D66-R70 IonicContact OD1-CZ 3.6Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 3.09Å; D66-R70 IonicContact OD1-NH2 2.77Å; D66-R70 PolarHBondContact OD1-NH2 2.79Å; D66-R70 VanDerWaalsContact OD1-NH2 3.1Å; D66-R70 IonicContact OD2-CZ 3.46Å; D66-R70 IonicContact OD2-NE 3.44Å; D66-R70 IonicContact OD2-NH2 3.1Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å; V67-R70 PolarHBondContact O-N 3.06Å; F68-R70 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.43Å; R70-A73 PolarHBondContact O-N 2.88Å; R70-E74 WeakPolarHBondContact O-CB 3.39Å; R70-E74 PolarHBondContact O-N 3.44Å; R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.27Å; R70-L99 WeakPolarHBondContact O-CD1 3.46Å
71	I	97.2	Very high	97	Very high	32 Å²	32	69.3 Å²	69.3	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-44.7	178	-68.4	165.2	0	0	0	110.4	V67 F68 E74 A75 I92 A95 V96 L99	V67-I71 HydrophobicContact CG1-CD1 3.76Å; V67-I71 HydrophobicContact CG1-CG1 4.42Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.49Å; V67-I71 PolarHBondContact O-N 2.99Å; F68-I71 PolarHBondContact O-N 2.94Å; I71-E74 PolarHBondContact O-N 3.49Å; I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.38Å; I71-A75 PolarHBondContact O-N 3.1Å; I71-I92 HydrophobicContact CG2-CG2 4.31Å; I71-A95 HydrophobicContact CG2-CB 4.24Å; I71-V96 HydrophobicContact CD1-CG2 4.01Å; I71-V96 HydrophobicContact CG1-CG2 4.31Å; 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 3.58Å
72	G	97.3	Very high	96.9	Very high	31 Å²	31	71.8 Å²	71.8	32%	0.32	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-45.3	177.6	0	0	0	0	0	112.5	F68 D69 A75 S76	F68-G72 PolarHBondContact O-N 2.93Å; D69-G72 PolarHBondContact O-N 3.49Å; G72-A75 PolarHBondContact O-N 3.08Å; G72-S76 WeakPolarHBondContact O-CB 3.5Å; G72-S76 PolarHBondContact O-N 3.45Å
73	A	97.8	Very high	96.9	Very high	51 Å²	51	75.5 Å²	75.5	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-41.6	178.3	0	0	0	0	0	112.7	D69 R70 R77	D69-A73 WeakPolarHBondContact O-CB 3.43Å; D69-A73 PolarHBondContact O-N 3.19Å; R70-A73 PolarHBondContact O-N 2.88Å; A73-R77 WeakPolarHBondContact O-CG 3.32Å; A73-R77 PolarHBondContact O-N 3.43Å; A73-R77 VanDerWaalsContact O-N 3.07Å
74	E	97.7	Very high	96.8	Very high	24 Å²	24	76 Å²	76	11%	0.112	38%	0.377	C	S	.	.	H	α-helix	trans	-68	-43.3	175.8	-171.1	65.9	-123.6	0	0	111.5	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.39Å; R70-E74 PolarHBondContact O-N 3.44Å; I71-E74 PolarHBondContact O-N 3.49Å; E74-S76 VanDerWaalsContact C-N 3.3Å; E74-S76 PolarHBondContact O-N 3Å; E74-R77 PolarHBondContact O-N 3.39Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 IonicContact OE1-CZ 3.12Å; E74-R77 IonicContact OE2-CZ 3.8Å; E74-R77 IonicContact OE2-NE 2.59Å; E74-R77 IonicContact OE2-NH1 3.95Å; E74-R77 PolarHBondContact OE2-NH1 3.46Å; E74-R77 IonicContact OE2-NH2 3.94Å; E74-R77 PolarHBondContact OE2-NH2 2.99Å; E74-L78 HydrophobicContact CG-CD1 4.4Å; E74-L78 WeakPolarHBondContact O-CG 3.42Å; E74-L78 PolarHBondContact O-N 3.37Å; E74-A95 HydrophobicContact CB-CB 3.79Å; E74-A95 HydrophobicContact CG-CB 3.78Å; E74-L98 HydrophobicContact CG-CB 4.32Å; E74-L98 HydrophobicContact CG-CD1 3.91Å; E74-L99 HydrophobicContact CB-CD1 4.17Å; E74-L99 HydrophobicContact CB-CG 4.49Å
75	A	97.8	Very high	96.8	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-36.8	176.9	0	0	0	0	0	112.3	I71 G72 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.25Å; I71-A75 WeakPolarHBondContact O-CB 3.38Å; I71-A75 PolarHBondContact O-N 3.1Å; G72-A75 PolarHBondContact O-N 3.08Å; A75-L78 PolarHBondContact O-N 3.34Å; A75-A79 PolarHBondContact O-N 2.99Å; A75-I87 HydrophobicContact CB-CG2 3.9Å; A75-E91 HydrophobicContact CB-CB 4.29Å; A75-I92 HydrophobicContact CB-CD1 3.64Å; A75-I92 HydrophobicContact CB-CG1 4.49Å; A75-A95 HydrophobicContact CB-CB 4.03Å
76	S	97.4	Very high	96.8	Very high	65 Å²	65	85.5 Å²	85.5	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-43.2	172.8	-172	0	0	0	0	111.9	G72 E74 A79 H80	G72-S76 WeakPolarHBondContact O-CB 3.5Å; G72-S76 PolarHBondContact O-N 3.45Å; E74-S76 VanDerWaalsContact C-N 3.3Å; E74-S76 PolarHBondContact O-N 3Å; S76-A79 PolarHBondContact O-N 3.43Å; S76-H80 PolarHBondContact O-N 2.92Å
77	R	97.5	Very high	96.7	Very high	119 Å²	119	86 Å²	86	45%	0.449	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-43.7	174.8	-78.5	-176	-76.7	156.2	-2.3	111.5	A73 E74 A79 H80 Y81	A73-R77 WeakPolarHBondContact O-CG 3.32Å; A73-R77 PolarHBondContact O-N 3.43Å; A73-R77 VanDerWaalsContact O-N 3.07Å; E74-R77 PolarHBondContact O-N 3.39Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 IonicContact OE1-CZ 3.12Å; E74-R77 IonicContact OE2-CZ 3.8Å; E74-R77 IonicContact OE2-NE 2.59Å; E74-R77 IonicContact OE2-NH1 3.95Å; E74-R77 PolarHBondContact OE2-NH1 3.46Å; E74-R77 IonicContact OE2-NH2 3.94Å; E74-R77 PolarHBondContact OE2-NH2 2.99Å; R77-A79 PolarHBondContact O-N 2.8Å; R77-H80 PolarHBondContact O-N 3.45Å; R77-Y81 HydrophobicContact CB-CE2 4.34Å; R77-Y81 VanDerWaalsContact O-CD2 3.3Å; R77-Y81 WeakPolarHBondContact O-CD2 3.38Å; R77-Y81 PolarHBondContact O-N 3.16Å
78	L	97.6	Very high	96.6	Very high	25 Å²	25	85.8 Å²	85.8	13%	0.131	43%	0.426	C	S	.	.	H	α-helix	trans	-62.9	-40	176.3	-70.6	169.9	0	0	0	112.9	E74 A75 H80 N82 E91 T94 A95 L98	E74-L78 HydrophobicContact CG-CD1 4.4Å; E74-L78 WeakPolarHBondContact O-CG 3.42Å; E74-L78 PolarHBondContact O-N 3.37Å; A75-L78 PolarHBondContact O-N 3.34Å; L78-H80 VanDerWaalsContact C-N 3.35Å; L78-N82 PolarHBondContact O-N 3.17Å; L78-N82 PolarHBondContact O-ND2 3.31Å; L78-E91 HydrophobicContact CB-CB 4.15Å; L78-E91 HydrophobicContact CB-CG 3.91Å; L78-E91 WeakPolarHBondContact CD1-O 3.45Å; L78-T94 HydrophobicContact CD1-CG2 3.73Å; L78-T94 HydrophobicContact CD2-CG2 4.19Å; L78-A95 HydrophobicContact CD1-CB 4.1Å; L78-L98 HydrophobicContact CD1-CD1 4.22Å; L78-L98 HydrophobicContact CD2-CD1 4.21Å
79	A	97.3	Very high	96.3	Very high	4 Å²	4	83.7 Å²	83.7	3%	0.033	43%	0.427	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.2	0	0	0	0	0	111.2	A75 S76 R77 N82 N83 R84 I87 E91	A75-A79 PolarHBondContact O-N 2.99Å; S76-A79 PolarHBondContact O-N 3.43Å; R77-A79 PolarHBondContact O-N 2.8Å; A79-N82 CarbonylContact O-C 3.59Å; A79-N82 PolarHBondContact O-N 3.06Å; A79-N83 PolarHBondContact O-N 3.08Å; A79-R84 PolarHBondContact O-N 2.96Å; A79-I87 HydrophobicContact CB-CG1 3.94Å; A79-E91 HydrophobicContact CB-CG 4.26Å
80	H	96.6	Very high	96.1	Very high	141 Å²	141	85.7 Å²	85.7	65%	0.653	43%	0.427	S	S	*	.	H	α-helix	trans	-62.3	-46	177.1	-170.5	65.9	0	0	0	112.2	S76 R77 L78 N82 N83	S76-H80 PolarHBondContact O-N 2.92Å; R77-H80 PolarHBondContact O-N 3.45Å; L78-H80 VanDerWaalsContact C-N 3.35Å; H80-N82 PolarHBondContact O-N 2.91Å; H80-N83 PolarHBondContact O-N 3.14Å
81	Y	96.4	Very high	96	Very high	165 Å²	165	79.3 Å²	79.3	65%	0.647	40%	0.403	S	S	*	.	H	α-helix	trans	-61.3	-28.8	176.2	-67.1	-36.4	0	0	0	113.7	R77 N83	R77-Y81 HydrophobicContact CB-CE2 4.34Å; R77-Y81 VanDerWaalsContact O-CD2 3.3Å; R77-Y81 WeakPolarHBondContact O-CD2 3.38Å; R77-Y81 PolarHBondContact O-N 3.16Å; Y81-N83 VanDerWaalsContact C-N 3.3Å
82	N	95.7	Very high	95.9	Very high	76 Å²	76	81 Å²	81	41%	0.406	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	9	176.5	-69.4	-52.2	0	0	0	113.4	L78 A79 H80 R84	L78-N82 PolarHBondContact O-N 3.17Å; L78-N82 PolarHBondContact O-ND2 3.31Å; A79-N82 CarbonylContact O-C 3.59Å; A79-N82 PolarHBondContact O-N 3.06Å; H80-N82 PolarHBondContact O-N 2.91Å; N82-R84 HydrophobicContact CB-CG 4.25Å; N82-R84 PolarHBondContact O-N 3Å
83	N	95.8	Very high	95.8	Very high	146 Å²	146	82.7 Å²	82.7	78%	0.781	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38.6	-174.7	-59.9	-62.2	0	0	0	113	A79 H80 Y81	A79-N83 PolarHBondContact O-N 3.08Å; H80-N83 PolarHBondContact O-N 3.14Å; Y81-N83 VanDerWaalsContact C-N 3.3Å
84	R	95.5	Very high	95.7	Very high	130 Å²	130	82.5 Å²	82.5	49%	0.491	41%	0.405	S	S	.	.			trans	-109.5	139.6	178.5	-68.8	-175.9	174.2	-167.6	-6	110.6	A79 N82 E91	A79-R84 PolarHBondContact O-N 2.96Å; N82-R84 HydrophobicContact CB-CG 4.25Å; N82-R84 PolarHBondContact O-N 3Å; R84-E91 IonicContact NH1-OE1 3.35Å
85	H	95	Very high	95.6	Very high	198 Å²	198	81.3 Å²	81.3	92%	0.917	40%	0.4	S	S	*	.	S	Bend	trans	-90.7	-3.8	173.1	-59.9	-69.3	0	0	0	113.3
86	T	96.5	Very high	95.6	Very high	107 Å²	107	82.2 Å²	82.2	66%	0.656	41%	0.405	S	S	*	.	S	Bend	trans	-125.5	125.3	-177.1	-51.9	0	0	0	0	109.7
87	I	96.1	Very high	95.5	Very high	77 Å²	77	86 Å²	86	40%	0.395	41%	0.409	S	S	.	.			trans	-77.6	119.2	172	-59	174.7	0	0	0	108.2	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.9Å; A79-I87 HydrophobicContact CB-CG1 3.94Å; I87-E91 HydrophobicContact CG2-CB 4.02Å; I87-I92 HydrophobicContact CG2-CD1 3.81Å; I87-I92 HydrophobicContact CG2-CG1 3.97Å
88	S	92.8	Very high	95.5	Very high	39 Å²	39	85.3 Å²	85.3	27%	0.273	41%	0.414	S	S	.	.			trans	-97.3	173.5	174.9	82.8	0	0	0	0	111.5	R90 E91 I92	S88-R90 PolarHBondContact O-N 3.07Å; S88-R90 VanDerWaalsContact O-N 3.14Å; S88-R90 WeakPolarHBondContact OG-CB 3.33Å; S88-R90 PolarHBondContact OG-N 3.31Å; S88-E91 VanDerWaalsContact CA-OE2 3.26Å; S88-E91 WeakPolarHBondContact CA-OE2 3.44Å; S88-E91 WeakPolarHBondContact CB-OE2 3.39Å; S88-E91 PolarHBondContact N-OE2 2.99Å; S88-E91 PolarHBondContact O-N 2.98Å; S88-E91 PolarHBondContact OG-OE2 3.35Å; S88-I92 PolarHBondContact O-N 3.25Å
89	S	90.6	Very high	95.4	Very high	84 Å²	84	87 Å²	87	59%	0.587	42%	0.423	S	S	*	.	H	α-helix	trans	-57	-26.9	173.3	55.2	0	0	0	0	112.6	I92 Q93	S89-I92 PolarHBondContact O-N 3.31Å; S89-Q93 WeakPolarHBondContact O-CB 3.4Å; S89-Q93 VanDerWaalsContact O-CG 3.26Å; S89-Q93 WeakPolarHBondContact O-CG 3.32Å; S89-Q93 PolarHBondContact O-N 2.81Å
90	R	92.2	Very high	95.3	Very high	148 Å²	148	88.6 Å²	88.6	56%	0.558	43%	0.431	S	S	*	.	H	α-helix	trans	-68	-43.2	178.5	-173.4	177.6	-178.5	-120	3.9	112.4	S88 I92 Q93 T94	S88-R90 PolarHBondContact O-N 3.07Å; S88-R90 VanDerWaalsContact O-N 3.14Å; S88-R90 WeakPolarHBondContact OG-CB 3.33Å; S88-R90 PolarHBondContact OG-N 3.31Å; R90-I92 VanDerWaalsContact C-N 3.35Å; R90-Q93 PolarHBondContact O-N 3.26Å; R90-T94 WeakPolarHBondContact O-CB 3.49Å; R90-T94 PolarHBondContact O-N 3.22Å; R90-T94 PolarHBondContact O-OG1 3.41Å
91	E	94.8	Very high	95.2	Very high	3 Å²	3	86.6 Å²	86.6	1%	0.014	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-40	176.7	-71.3	75.5	-154	0	0	110.4	A75 L78 A79 R84 I87 S88 T94 A95	A75-E91 HydrophobicContact CB-CB 4.29Å; L78-E91 HydrophobicContact CB-CB 4.15Å; L78-E91 HydrophobicContact CB-CG 3.91Å; L78-E91 WeakPolarHBondContact CD1-O 3.45Å; A79-E91 HydrophobicContact CB-CG 4.26Å; R84-E91 IonicContact NH1-OE1 3.35Å; I87-E91 HydrophobicContact CG2-CB 4.02Å; S88-E91 VanDerWaalsContact CA-OE2 3.26Å; S88-E91 WeakPolarHBondContact CA-OE2 3.44Å; S88-E91 WeakPolarHBondContact CB-OE2 3.39Å; S88-E91 PolarHBondContact N-OE2 2.99Å; S88-E91 PolarHBondContact O-N 2.98Å; S88-E91 PolarHBondContact OG-OE2 3.35Å; E91-T94 PolarHBondContact O-N 3.43Å; E91-A95 VanDerWaalsContact O-CB 3.25Å; E91-A95 WeakPolarHBondContact O-CB 3.49Å; E91-A95 PolarHBondContact O-N 3.37Å
92	I	95.5	Very high	95.2	Very high	69 Å²	69	81.3 Å²	81.3	35%	0.354	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-48.5	175.4	-58.9	-68.5	0	0	0	111.3	I71 A75 I87 S88 S89 R90 T94 A95 V96	I71-I92 HydrophobicContact CG2-CG2 4.31Å; A75-I92 HydrophobicContact CB-CD1 3.64Å; A75-I92 HydrophobicContact CB-CG1 4.49Å; I87-I92 HydrophobicContact CG2-CD1 3.81Å; I87-I92 HydrophobicContact CG2-CG1 3.97Å; S88-I92 PolarHBondContact O-N 3.25Å; S89-I92 PolarHBondContact O-N 3.31Å; R90-I92 VanDerWaalsContact C-N 3.35Å; I92-T94 VanDerWaalsContact C-N 3.33Å; I92-T94 PolarHBondContact O-N 3.43Å; I92-A95 WeakPolarHBondContact O-CB 3.36Å; I92-A95 PolarHBondContact O-N 3.35Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.39Å; I92-V96 PolarHBondContact O-N 3.26Å
93	Q	94.2	Very high	95.1	Very high	65 Å²	65	82.8 Å²	82.8	30%	0.304	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-40.9	178.7	-74.6	175.7	8.2	0	0	112.2	S89 R90 V96 R97	S89-Q93 WeakPolarHBondContact O-CB 3.4Å; S89-Q93 VanDerWaalsContact O-CG 3.26Å; S89-Q93 WeakPolarHBondContact O-CG 3.32Å; S89-Q93 PolarHBondContact O-N 2.81Å; R90-Q93 PolarHBondContact O-N 3.26Å; Q93-V96 PolarHBondContact O-N 3.14Å; Q93-R97 WeakPolarHBondContact O-CG 3.45Å; Q93-R97 PolarHBondContact O-N 2.76Å
94	T	95.9	Very high	95.1	Very high	47 Å²	47	80.5 Å²	80.5	29%	0.288	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-43.2	176.6	-54.6	0	0	0	0	111	L78 R90 E91 I92 V96 R97 L98	L78-T94 HydrophobicContact CD1-CG2 3.73Å; L78-T94 HydrophobicContact CD2-CG2 4.19Å; R90-T94 WeakPolarHBondContact O-CB 3.49Å; R90-T94 PolarHBondContact O-N 3.22Å; R90-T94 PolarHBondContact O-OG1 3.41Å; E91-T94 PolarHBondContact O-N 3.43Å; I92-T94 VanDerWaalsContact C-N 3.33Å; I92-T94 PolarHBondContact O-N 3.43Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3.04Å; T94-R97 WeakPolarHBondContact O-CB 3.38Å; T94-R97 PolarHBondContact O-N 3Å; T94-L98 HydrophobicContact CG2-CD1 4.32Å; T94-L98 WeakPolarHBondContact O-CG 3.42Å; T94-L98 PolarHBondContact O-N 3.38Å
95	A	96.8	Very high	95.1	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-56.9	-44	175.2	0	0	0	0	0	112.1	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.24Å; E74-A95 HydrophobicContact CB-CB 3.79Å; E74-A95 HydrophobicContact CG-CB 3.78Å; A75-A95 HydrophobicContact CB-CB 4.03Å; L78-A95 HydrophobicContact CD1-CB 4.1Å; E91-A95 VanDerWaalsContact O-CB 3.25Å; E91-A95 WeakPolarHBondContact O-CB 3.49Å; E91-A95 PolarHBondContact O-N 3.37Å; I92-A95 WeakPolarHBondContact O-CB 3.36Å; I92-A95 PolarHBondContact O-N 3.35Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.48Å; A95-L98 PolarHBondContact O-N 3.43Å; A95-L98 VanDerWaalsContact O-N 3.16Å; A95-L99 WeakPolarHBondContact O-CG 3.39Å; A95-L99 PolarHBondContact O-N 2.87Å
96	V	97	Very high	95.1	Very high	18 Å²	18	72 Å²	72	11%	0.109	38%	0.384	C	S	.	.	H	α-helix	trans	-59.6	-41	175.3	171.1	0	0	0	0	111.5	I71 I92 Q93 T94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 4.01Å; I71-V96 HydrophobicContact CG1-CG2 4.31Å; I71-V96 HydrophobicContact CG2-CG2 4.26Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.39Å; I92-V96 PolarHBondContact O-N 3.26Å; Q93-V96 PolarHBondContact O-N 3.14Å; T94-V96 VanDerWaalsContact C-N 3.31Å; T94-V96 PolarHBondContact O-N 3.04Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 3.45Å; V96-L99 PolarHBondContact O-N 2.91Å; V96-L100 HydrophobicContact CG1-CD1 3.8Å; V96-L100 HydrophobicContact CG1-CG 4.42Å; V96-L100 WeakPolarHBondContact O-CB 3.43Å; V96-L100 PolarHBondContact O-N 2.87Å; V96-A108 HydrophobicContact CG1-CB 3.59Å; V96-V109 HydrophobicContact CB-CG2 4.43Å; V96-V109 HydrophobicContact CG1-CG2 4.01Å
97	R	95.7	Very high	95	Very high	144 Å²	144	72 Å²	72	54%	0.543	38%	0.376	S	S	.	.	H	α-helix	trans	-68.1	-30	177.1	-69	174.6	-178.2	169.4	1	113.4	Q93 T94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.45Å; Q93-R97 PolarHBondContact O-N 2.76Å; T94-R97 WeakPolarHBondContact O-CB 3.38Å; T94-R97 PolarHBondContact O-N 3Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.48Å; R97-V109 HydrophobicContact CG-CG2 3.83Å
98	L	96.5	Very high	95	Very high	106 Å²	106	70 Å²	70	56%	0.555	37%	0.372	S	S	*	.	H	α-helix	trans	-77	-35.9	177.1	-68.4	173.8	0	0	0	112.1	E74 L78 T94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.32Å; E74-L98 HydrophobicContact CG-CD1 3.91Å; L78-L98 HydrophobicContact CD1-CD1 4.22Å; L78-L98 HydrophobicContact CD2-CD1 4.21Å; T94-L98 HydrophobicContact CG2-CD1 4.32Å; T94-L98 WeakPolarHBondContact O-CG 3.42Å; T94-L98 PolarHBondContact O-N 3.38Å; A95-L98 PolarHBondContact O-N 3.43Å; A95-L98 VanDerWaalsContact O-N 3.16Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 3.45Å
99	L	96.3	Very high	95.1	Very high	61 Å²	61	69 Å²	69	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-86.6	-31.8	-174.9	-68.8	169	0	0	0	114	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.95Å; R70-L99 HydrophobicContact CB-CD2 4.27Å; R70-L99 WeakPolarHBondContact O-CD1 3.46Å; I71-L99 VanDerWaalsContact CA-CD1 3.46Å; I71-L99 HydrophobicContact CB-CD1 4.14Å; I71-L99 HydrophobicContact CG1-CD1 3.58Å; E74-L99 HydrophobicContact CB-CD1 4.17Å; E74-L99 HydrophobicContact CB-CG 4.49Å; A95-L99 WeakPolarHBondContact O-CG 3.39Å; A95-L99 PolarHBondContact O-N 2.87Å; V96-L99 PolarHBondContact O-N 2.91Å
100	L	94.9	Very high	95.2	Very high	37 Å²	37	67.5 Å²	67.5	19%	0.194	35%	0.353	C	S	.	.	S	Bend	trans	-104.3	129.5	-175.7	-55.3	-177.6	0	0	0	110.4	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.8Å; V96-L100 HydrophobicContact CG1-CG 4.42Å; V96-L100 WeakPolarHBondContact O-CB 3.43Å; V96-L100 PolarHBondContact O-N 2.87Å; L100-L104 HydrophobicContact CB-CB 4.31Å; L100-L104 HydrophobicContact CB-CD2 4.12Å; L100-L104 HydrophobicContact CB-CG 4.05Å; L100-L104 HydrophobicContact CD1-CD2 4.38Å; L100-L104 HydrophobicContact CD1-CG 4.06Å; L100-L104 HydrophobicContact CD2-CD2 3.87Å; L100-L104 HydrophobicContact CD2-CG 4.43Å; L100-L104 HydrophobicContact CG-CD2 4.34Å; L100-L104 HydrophobicContact CG-CG 4.4Å; L100-S105 WeakPolarHBondContact O-CB 3.31Å; L100-A108 HydrophobicContact CD1-CB 3.66Å
101	P	95.3	Very high	95.3	Very high	99 Å²	99	65.2 Å²	65.2	64%	0.643	35%	0.349	S	S	*	.			trans	-81.2	150.8	-179	31.3	-35.2	0	0	0	112.9	E103 L104	P101-E103 PolarHBondContact O-N 3.22Å; P101-L104 WeakPolarHBondContact O-CB 3.34Å; P101-L104 PolarHBondContact O-N 3.47Å; P101-L104 VanDerWaalsContact O-N 3.16Å
102	G	95	Very high	95.2	Very high	53 Å²	53	66.8 Å²	66.8	55%	0.546	37%	0.365	S	S	.	.	H	α-helix	trans	52.6	-131.6	163.3	0	0	0	0	0	115	L104 S105	G102-L104 PolarHBondContact O-N 3Å; G102-S105 PolarHBondContact O-N 3.38Å; G102-S105 PolarHBondContact O-OG 3.37Å
103	E	95.3	Very high	95	Very high	108 Å²	108	66.6 Å²	66.6	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-31.8	-179.4	-68.3	-55.4	122.5	0	0	112.9	P101 S105 K106 H107	P101-E103 PolarHBondContact O-N 3.22Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 2.98Å; E103-K106 WeakPolarHBondContact O-CB 3.47Å; E103-K106 PolarHBondContact O-N 2.94Å; E103-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 IonicContact OE1-NZ 2.71Å; E103-K106 PolarHBondContact OE1-NZ 3.04Å; E103-H107 PolarHBondContact O-CD2 3.34Å; E103-H107 PolarHBondContact O-N 2.93Å
104	L	95.1	Very high	94.9	Very high	98 Å²	98	69.1 Å²	69.1	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-39	-179.6	-171.5	62.1	0	0	0	111.6	L100 P101 G102 A108	L100-L104 HydrophobicContact CB-CB 4.31Å; L100-L104 HydrophobicContact CB-CD2 4.12Å; L100-L104 HydrophobicContact CB-CG 4.05Å; L100-L104 HydrophobicContact CD1-CD2 4.38Å; L100-L104 HydrophobicContact CD1-CG 4.06Å; L100-L104 HydrophobicContact CD2-CD2 3.87Å; L100-L104 HydrophobicContact CD2-CG 4.43Å; L100-L104 HydrophobicContact CG-CD2 4.34Å; L100-L104 HydrophobicContact CG-CG 4.4Å; P101-L104 WeakPolarHBondContact O-CB 3.34Å; P101-L104 PolarHBondContact O-N 3.47Å; P101-L104 VanDerWaalsContact O-N 3.16Å; G102-L104 PolarHBondContact O-N 3Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.38Å; L104-A108 PolarHBondContact O-N 3.49Å
105	S	94.9	Very high	94.6	Very high	21 Å²	21	69.7 Å²	69.7	15%	0.147	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-41.7	174.7	71.1	0	0	0	0	112.7	L100 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.31Å; G102-S105 PolarHBondContact O-N 3.38Å; G102-S105 PolarHBondContact O-OG 3.37Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 2.98Å; S105-A108 PolarHBondContact O-N 2.84Å; S105-V109 WeakPolarHBondContact O-CB 3.33Å; S105-V109 VanDerWaalsContact O-CG2 3.31Å; S105-V109 WeakPolarHBondContact O-CG2 3.25Å; S105-V109 PolarHBondContact O-N 3.4Å
106	K	95.3	Very high	94.2	Very high	127 Å²	127	73.9 Å²	73.9	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-64.5	-47.1	-179.1	-63.1	-179.8	-173.9	167.3	0	110.3	E103 S110	E103-K106 WeakPolarHBondContact O-CB 3.47Å; E103-K106 PolarHBondContact O-N 2.94Å; E103-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 IonicContact OE1-NZ 2.71Å; E103-K106 PolarHBondContact OE1-NZ 3.04Å; K106-S110 WeakPolarHBondContact O-CB 3.13Å; K106-S110 PolarHBondContact O-N 3.46Å
107	H	95.6	Very high	93.9	Very high	108 Å²	108	76.9 Å²	76.9	50%	0.5	43%	0.431	S	S	.	.	H	α-helix	trans	-62.8	-48.6	176.1	-72.2	-68.2	0	0	0	111.6	E103 V109 S110 E111	E103-H107 PolarHBondContact O-CD2 3.34Å; E103-H107 PolarHBondContact O-N 2.93Å; H107-V109 PolarHBondContact O-N 3.16Å; H107-S110 PolarHBondContact O-N 2.91Å; H107-E111 WeakPolarHBondContact O-CB 3.49Å; H107-E111 WeakPolarHBondContact O-CG 3.39Å; H107-E111 PolarHBondContact O-N 3.45Å
108	A	95.1	Very high	93.7	Very high	36 Å²	36	77.8 Å²	77.8	30%	0.298	44%	0.439	S	S	.	.	H	α-helix	trans	-60.9	-43.3	-178.2	0	0	0	0	0	112.7	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.59Å; L100-A108 HydrophobicContact CD1-CB 3.66Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.38Å; L104-A108 PolarHBondContact O-N 3.49Å; S105-A108 PolarHBondContact O-N 2.84Å; A108-G112 PolarHBondContact O-N 3.27Å
109	V	94.3	Very high	93.4	Very high	17 Å²	17	81.9 Å²	81.9	10%	0.103	45%	0.448	C	S	.	.	H	α-helix	trans	-69.9	-40	177.7	175	0	0	0	0	111.7	V96 R97 S105 H107 G112 T113	V96-V109 HydrophobicContact CB-CG2 4.43Å; V96-V109 HydrophobicContact CG1-CG2 4.01Å; R97-V109 HydrophobicContact CG-CG2 3.83Å; S105-V109 WeakPolarHBondContact O-CB 3.33Å; S105-V109 VanDerWaalsContact O-CG2 3.31Å; S105-V109 WeakPolarHBondContact O-CG2 3.25Å; S105-V109 PolarHBondContact O-N 3.4Å; H107-V109 PolarHBondContact O-N 3.16Å; V109-G112 PolarHBondContact O-N 3.49Å; V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 PolarHBondContact O-N 2.94Å; V109-T113 PolarHBondContact O-OG1 3.3Å
110	S	94.3	Very high	93.2	Very high	53 Å²	53	83.3 Å²	83.3	37%	0.371	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-50.5	177.2	-175.9	0	0	0	0	111.5	K106 H107 G112 T113 K114	K106-S110 WeakPolarHBondContact O-CB 3.13Å; K106-S110 PolarHBondContact O-N 3.46Å; H107-S110 PolarHBondContact O-N 2.91Å; S110-G112 PolarHBondContact O-N 2.88Å; S110-T113 PolarHBondContact O-N 2.72Å; S110-K114 WeakPolarHBondContact O-CG 3.34Å; S110-K114 PolarHBondContact O-N 3Å
111	E	93.6	Very high	93.2	Very high	100 Å²	100	85.9 Å²	85.9	47%	0.467	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-39.5	177.2	-67.9	-53	125.1	0	0	111.9	H107 T113 K114 A115	H107-E111 WeakPolarHBondContact O-CB 3.49Å; H107-E111 WeakPolarHBondContact O-CG 3.39Å; H107-E111 PolarHBondContact O-N 3.45Å; E111-T113 VanDerWaalsContact C-N 3.34Å; E111-T113 PolarHBondContact O-N 3.23Å; E111-K114 PolarHBondContact O-N 3.09Å; E111-K114 IonicContact OE1-NZ 2.75Å; E111-K114 PolarHBondContact OE1-NZ 3.47Å; E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 3.47Å
112	G	92.4	Very high	92.9	Very high	35 Å²	35	85.3 Å²	85.3	36%	0.361	48%	0.484	S	S	.	.	H	α-helix	trans	-59.1	-44	174.2	0	0	0	0	0	112.4	A108 V109 S110 A115 V116	A108-G112 PolarHBondContact O-N 3.27Å; V109-G112 PolarHBondContact O-N 3.49Å; S110-G112 PolarHBondContact O-N 2.88Å; G112-A115 PolarHBondContact O-N 3.36Å; G112-V116 WeakPolarHBondContact O-CG2 3.5Å; G112-V116 PolarHBondContact O-N 3.04Å
113	T	91.5	Very high	91.4	Very high	65 Å²	65	94.7 Å²	94.7	40%	0.399	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-43.8	179	-54	0	0	0	0	111.5	V109 S110 E111 A115 V116 T117	V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 PolarHBondContact O-N 2.94Å; V109-T113 PolarHBondContact O-OG1 3.3Å; S110-T113 PolarHBondContact O-N 2.72Å; E111-T113 VanDerWaalsContact C-N 3.34Å; E111-T113 PolarHBondContact O-N 3.23Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.26Å; T113-V116 PolarHBondContact O-N 3.16Å; T113-T117 PolarHBondContact O-N 2.94Å; T113-T117 PolarHBondContact O-OG1 3.09Å
114	K	91.8	Very high	91.2	Very high	118 Å²	118	94 Å²	94	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-41.2	174.1	-67.5	173.4	-167.1	169.3	0	111.8	S110 E111 T117 K118	S110-K114 WeakPolarHBondContact O-CG 3.34Å; S110-K114 PolarHBondContact O-N 3Å; E111-K114 PolarHBondContact O-N 3.09Å; E111-K114 IonicContact OE1-NZ 2.75Å; E111-K114 PolarHBondContact OE1-NZ 3.47Å; K114-T117 PolarHBondContact O-N 2.99Å; K114-K118 PolarHBondContact O-N 3.06Å
115	A	89.7	Confident	91	Very high	59 Å²	59	93.8 Å²	93.8	49%	0.488	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-39.6	179.5	0	0	0	0	0	112.1	E111 G112 T113 K118 Y119	E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 3.47Å; G112-A115 PolarHBondContact O-N 3.36Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.26Å; A115-K118 PolarHBondContact O-N 2.75Å; A115-Y119 WeakPolarHBondContact O-CB 3.47Å; A115-Y119 PolarHBondContact O-N 3.11Å
116	V	88.6	Confident	90.8	Very high	88 Å²	88	97.8 Å²	97.8	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-60.4	-48.3	175	172.4	0	0	0	0	110.8	G112 T113 K118 Y119 T120	G112-V116 WeakPolarHBondContact O-CG2 3.5Å; G112-V116 PolarHBondContact O-N 3.04Å; T113-V116 PolarHBondContact O-N 3.16Å; V116-K118 PolarHBondContact O-N 3.45Å; V116-Y119 WeakPolarHBondContact O-CB 3.48Å; V116-Y119 PolarHBondContact O-N 3.37Å; V116-T120 PolarHBondContact O-N 3.4Å; V116-T120 PolarHBondContact O-OG1 2.81Å
117	T	90.5	Very high	90.5	Very high	82 Å²	82	96.1 Å²	96.1	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-59.8	-45.1	177.4	-54.9	0	0	0	0	111.9	T113 K114 Y119 T120 S121	T113-T117 PolarHBondContact O-N 2.94Å; T113-T117 PolarHBondContact O-OG1 3.09Å; K114-T117 PolarHBondContact O-N 2.99Å; T117-Y119 VanDerWaalsContact C-N 3.32Å; T117-Y119 PolarHBondContact O-N 3.14Å; T117-T120 WeakPolarHBondContact CA-OG1 3.45Å; T117-T120 PolarHBondContact O-N 2.76Å; T117-T120 PolarHBondContact O-OG1 2.75Å; T117-S121 PolarHBondContact O-N 3.24Å; T117-S121 VanDerWaalsContact O-N 3.09Å; T117-S121 PolarHBondContact O-OG 2.71Å; T117-S121 VanDerWaalsContact O-OG 3.09Å
118	K	92.4	Very high	90.2	Very high	163 Å²	163	95.4 Å²	95.4	71%	0.709	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-40.5	177.3	-177.3	175.9	-179.7	175.6	0	111.9	K114 A115 V116 S121 A122	K114-K118 PolarHBondContact O-N 3.06Å; A115-K118 PolarHBondContact O-N 2.75Å; V116-K118 PolarHBondContact O-N 3.45Å; K118-S121 PolarHBondContact O-N 3.23Å; K118-A122 WeakPolarHBondContact O-CB 3.5Å; K118-A122 PolarHBondContact O-N 3.24Å; K118-A122 VanDerWaalsContact O-N 3.17Å
119	Y	90.1	Very high	89.9	Confident	192 Å²	192	99.3 Å²	99.3	75%	0.753	55%	0.546	S	S	*	.	H	α-helix	trans	-63.9	-42.3	178.8	-178	-98	0	0	0	111.6	A115 V116 T117	A115-Y119 WeakPolarHBondContact O-CB 3.47Å; A115-Y119 PolarHBondContact O-N 3.11Å; V116-Y119 WeakPolarHBondContact O-CB 3.48Å; V116-Y119 PolarHBondContact O-N 3.37Å; T117-Y119 VanDerWaalsContact C-N 3.32Å; T117-Y119 PolarHBondContact O-N 3.14Å
120	T	92.1	Very high	89.6	Confident	90 Å²	90	105.2 Å²	105.2	55%	0.552	58%	0.578	S	S	*	*	H	α-helix	trans	-67.7	-33.5	178	49.2	0	0	0	0	113.1	V116 T117	V116-T120 PolarHBondContact O-N 3.4Å; V116-T120 PolarHBondContact O-OG1 2.81Å; T117-T120 WeakPolarHBondContact CA-OG1 3.45Å; T117-T120 PolarHBondContact O-N 2.76Å; T117-T120 PolarHBondContact O-OG1 2.75Å
121	S	93.6	Very high	89.2	Confident	91 Å²	91	109.2 Å²	109.2	64%	0.636	59%	0.594	S	S	*	*	H	α-helix	trans	-83.1	-14.9	-179.5	-55.4	0	0	0	0	114.7	T117 K118 K123	T117-S121 PolarHBondContact O-N 3.24Å; T117-S121 VanDerWaalsContact O-N 3.09Å; T117-S121 PolarHBondContact O-OG 2.71Å; T117-S121 VanDerWaalsContact O-OG 3.09Å; K118-S121 PolarHBondContact O-N 3.23Å; S121-K123 VanDerWaalsContact C-N 3.31Å
122	A	89.8	Confident	88.9	Confident	87 Å²	87	110 Å²	110	72%	0.719	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	4.2	-176.1	0	0	0	0	0	114	K118	K118-A122 WeakPolarHBondContact O-CB 3.5Å; K118-A122 PolarHBondContact O-N 3.24Å; K118-A122 VanDerWaalsContact O-N 3.17Å
123	K	63.9	Low	88.5	Confident	250 Å²	250	116.8 Å²	116.8	100%	1.087	63%	0.627	S	S	*	*			trans	-107.3	0	179	-170	179.3	-177	-177.4	0	110.4	S121	S121-K123 VanDerWaalsContact C-N 3.31Å

Retrieved 123 of 123 residues in 146 ms (Link to these results)

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