A0A077Z6P1_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 A0A077Z6P1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077Z6P1_TRITR|A0A077Z6P1
MPPKVPAKGIKKAGKAKKVNRSTEKKRKKPRKESFASYIYKLLKQVHPDTGISSKAMSIMNSFVYDTFDRIGTEASRLAQYNNRHTIGSREIQTAVRLLLPGELSKHAVSEGTKAVTKYTNAK
					

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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	45.7	Very low	51.2	Low	239 Å²	239	155.9 Å²	155.9	100%	1.177	87%	0.873	S	S	*	*				0	111.9	0	-70.3	172	101.5	0	0	108.5
2	P	61.9	Low	50.6	Low	127 Å²	127	159.5 Å²	159.5	83%	0.825	87%	0.872	S	S	*	*				-116.1	171.1	129.3	-1.8	23.1	0	0	0	110.8
3	P	52.4	Low	50	Low	130 Å²	130	155.6 Å²	155.6	84%	0.844	88%	0.875	S	S	*	*			trans	-90.8	159.2	-141.5	35	-36.1	0	0	0	116.5
4	K	48.8	Very low	49.7	Very low	201 Å²	201	149.7 Å²	149.7	87%	0.874	87%	0.866	S	S	*	*			trans	-102.2	128.5	175	175.9	-173.7	-172.9	178.4	0	109.4
5	V	64.1	Low	49.2	Very low	134 Å²	134	153.4 Å²	153.4	81%	0.812	87%	0.868	S	S	*	*			trans	174	156.5	148.7	-94.5	0	0	0	0	110.5
6	P	48.3	Very low	49.1	Very low	117 Å²	117	150.4 Å²	150.4	76%	0.76	87%	0.868	S	S	*	*			cis	-133.8	162	-44.8	34.4	-16	0	0	0	112.5
7	A	49.3	Very low	49.3	Very low	108 Å²	108	153.3 Å²	153.3	89%	0.893	87%	0.868	S	S	*	*			trans	-65.8	135.5	179.9	0	0	0	0	0	113.6
8	K	47.7	Very low	49.1	Very low	213 Å²	213	156.5 Å²	156.5	93%	0.926	87%	0.87	S	S	*	*			trans	-106.4	108.8	-177	-148.6	173.6	-169.5	175	0	110.9
9	G	44.9	Very low	49.3	Very low	71 Å²	71	155.4 Å²	155.4	73%	0.732	87%	0.868	S	S	*	*			trans	72.5	90.5	141.8	0	0	0	0	0	119.9
10	I	49.1	Very low	49.4	Very low	168 Å²	168	154.9 Å²	154.9	86%	0.862	86%	0.863	S	S	*	*			trans	-77.9	117.9	158.5	-64	169.2	0	0	0	108.6
11	K	50.3	Low	49.3	Very low	207 Å²	207	159.3 Å²	159.3	90%	0.9	87%	0.867	S	S	*	*			trans	-85.4	110.1	171.1	-74.2	-177.1	178	177.7	0	109.9
12	K	44.6	Very low	49.5	Very low	199 Å²	199	152.1 Å²	152.1	87%	0.865	84%	0.84	S	S	*	*			trans	-71.3	141.6	168.7	-83.2	-177.4	174.5	178.2	0	111
13	A	42.8	Very low	48.9	Very low	109 Å²	109	151.3 Å²	151.3	90%	0.901	83%	0.833	S	S	*	*			trans	-57.6	143.3	176.1	0	0	0	0	0	113
14	G	45.7	Very low	48.7	Very low	73 Å²	73	154.6 Å²	154.6	75%	0.753	84%	0.837	S	S	*	*			trans	-159.2	125	174.7	0	0	0	0	0	112.7
15	K	42.8	Very low	49.1	Very low	205 Å²	205	153.8 Å²	153.8	89%	0.891	83%	0.833	S	S	*	*			trans	90.7	85.8	167.2	-59.6	-175.7	177.4	179.9	0	117	K17	K15-K17 PolarHBondContact O-N 3.4Å
16	A	46.7	Very low	48.9	Very low	105 Å²	105	156.7 Å²	156.7	87%	0.868	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.8	153.5	0	0	0	0	0	110.2	K18	A16-K18 PolarHBondContact O-N 3.25Å
17	K	52.9	Low	49.6	Very low	200 Å²	200	162.8 Å²	162.8	87%	0.87	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-72.8	118.5	169.5	-88	178	173.5	175.7	0	109.1	K15 V19	K15-K17 PolarHBondContact O-N 3.4Å; K17-V19 PolarHBondContact O-N 3.47Å
18	K	45.9	Very low	50.5	Low	211 Å²	211	166.9 Å²	166.9	92%	0.917	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-56.7	118.7	164.8	-94.5	179.8	173	177.7	0	109.1	A16 N20	A16-K18 PolarHBondContact O-N 3.25Å; K18-N20 PolarHBondContact O-N 3.16Å
19	V	52.8	Low	51.4	Low	135 Å²	135	165.9 Å²	165.9	82%	0.818	84%	0.836	S	S	*	*			trans	-74.9	111.5	169.7	179.2	0	0	0	0	107.7	K17 R21	K17-V19 PolarHBondContact O-N 3.47Å; V19-R21 PolarHBondContact O-N 3.35Å; V19-R21 VanDerWaalsContact O-N 3.16Å
20	N	50.9	Low	52.6	Low	146 Å²	146	168.4 Å²	168.4	78%	0.781	84%	0.84	S	S	*	*			trans	-63.3	111.1	172.7	-123.1	6.2	0	0	0	108.5	K18 S22	K18-N20 PolarHBondContact O-N 3.16Å; N20-S22 PolarHBondContact O-N 2.94Å
21	R	47.9	Very low	53.7	Low	247 Å²	247	170.8 Å²	170.8	93%	0.932	84%	0.838	S	S	*	*			trans	-75.3	74.3	165.9	-80.6	-176.8	175.1	168.7	-1	108.3	V19 T23	V19-R21 PolarHBondContact O-N 3.35Å; V19-R21 VanDerWaalsContact O-N 3.16Å; R21-T23 PolarHBondContact O-N 3.2Å
22	S	49.4	Very low	54.9	Low	89 Å²	89	170.1 Å²	170.1	62%	0.622	84%	0.835	S	S	*	*			trans	-71	108.9	170.8	50.4	0	0	0	0	109.5	N20	N20-S22 PolarHBondContact O-N 2.94Å
23	T	49	Very low	56.8	Low	109 Å²	109	168.9 Å²	168.9	67%	0.669	83%	0.832	S	S	*	*			trans	55.3	94.7	139.3	58.2	0	0	0	0	116	R21 K25	R21-T23 PolarHBondContact O-N 3.2Å; T23-K25 PolarHBondContact O-N 3.36Å
24	E	48.3	Very low	59.2	Low	200 Å²	200	166 Å²	166	94%	0.935	81%	0.805	S	S	*	*				31.3	50.5	126.2	-147.5	168.3	-152.7	0	0	117	K26	E24-K26 PolarHBondContact O-N 3.13Å
25	K	57.4	Low	61.5	Low	183 Å²	183	165.3 Å²	165.3	80%	0.796	78%	0.782	S	S	*	*			trans	-71.9	102.2	164.7	-78.1	179	179.9	173	0	106.2	T23 R27	T23-K25 PolarHBondContact O-N 3.36Å; K25-R27 PolarHBondContact O-N 3.45Å
26	K	60.6	Low	64	Low	196 Å²	196	157 Å²	157	85%	0.852	75%	0.751	S	S	*	*			trans	-25.1	114.5	168.1	-79	-178.1	176.7	177.2	0	109.3	E24 K28	E24-K26 PolarHBondContact O-N 3.13Å; K26-K28 PolarHBondContact O-N 3.1Å
27	R	62.5	Low	66.2	Low	245 Å²	245	154.2 Å²	154.2	93%	0.925	73%	0.726	S	S	*	*			trans	-40.9	109.4	-178.8	-77.5	178.9	168.6	173.9	-3.8	108.4	K25 K29	K25-R27 PolarHBondContact O-N 3.45Å; R27-K29 PolarHBondContact O-N 3.44Å; R27-K29 VanDerWaalsContact O-N 3.14Å
28	K	67.9	Low	68.3	Low	193 Å²	193	151.2 Å²	151.2	84%	0.839	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-56.4	123.9	178.1	-71	-176.8	177.1	-178	0	106.6	K26	K26-K28 PolarHBondContact O-N 3.1Å
29	K	67.4	Low	70.7	Confident	193 Å²	193	142.1 Å²	142.1	84%	0.839	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-50.6	141.2	174.7	-74	-179.8	178.5	178.2	0	108.4	R27 R31	R27-K29 PolarHBondContact O-N 3.44Å; R27-K29 VanDerWaalsContact O-N 3.14Å; K29-R31 PolarHBondContact O-N 3.37Å
30	P	70.4	Confident	72.8	Confident	123 Å²	123	141.2 Å²	141.2	80%	0.799	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-52.8	128.9	175.4	23	-32.5	0	0	0	108.3	K32	P30-K32 PolarHBondContact O-N 2.85Å; P30-K32 VanDerWaalsContact O-N 3.13Å
31	R	70.8	Confident	75	Confident	219 Å²	219	141.1 Å²	141.1	83%	0.826	65%	0.646	S	S	*	*			trans	-64.2	116	-179.6	-178.4	176.4	177.7	140.6	-1	107.1	K29 E33	K29-R31 PolarHBondContact O-N 3.37Å; R31-E33 PolarHBondContact O-N 2.98Å
32	K	76.6	Confident	77.2	Confident	192 Å²	192	134.4 Å²	134.4	84%	0.835	63%	0.628	S	S	*	*			trans	-66.7	124.8	168.1	-70.4	-173.3	176.3	-171.4	0	107.7	P30 S34	P30-K32 PolarHBondContact O-N 2.85Å; P30-K32 VanDerWaalsContact O-N 3.13Å; K32-S34 PolarHBondContact O-N 3.44Å
33	E	83.9	Confident	79.5	Confident	173 Å²	173	131.7 Å²	131.7	81%	0.808	61%	0.607	S	S	*	*			trans	-61.6	132.3	169.2	-64.4	-175.8	167.5	0	0	108.4	R31 Y65	R31-E33 PolarHBondContact O-N 2.98Å; E33-Y65 PolarHBondContact O-OH 3.46Å
34	S	92.9	Very high	81.8	Confident	48 Å²	48	129.7 Å²	129.7	34%	0.336	59%	0.589	S	S	.	*			trans	-159.5	148.4	-177.1	171	0	0	0	0	109.5	K32 A36 N61	K32-S34 PolarHBondContact O-N 3.44Å; S34-A36 PolarHBondContact O-N 3.04Å; S34-A36 WeakPolarHBondContact OG-CB 3.35Å; S34-A36 PolarHBondContact OG-N 3.29Å; S34-A36 VanDerWaalsContact OG-N 3.1Å; S34-N61 PolarHBondContact OG-OD1 2.74Å
35	F	94.6	Very high	84.1	Confident	60 Å²	60	127.7 Å²	127.7	26%	0.263	58%	0.579	S	S	.	*	S	Bend	trans	-80.9	-0.2	174.6	-64.3	-78	0	0	0	113.7	S37 Y38 I39 N61 V64 Y65	F35-S37 VanDerWaalsContact C-N 3.28Å; F35-S37 PolarHBondContact O-N 2.99Å; F35-S37 VanDerWaalsContact O-N 3.14Å; F35-Y38 HydrophobicContact CD1-CD2 4.04Å; F35-Y38 PolarHBondContact O-N 3.23Å; F35-I39 HydrophobicContact CB-CD1 3.97Å; F35-I39 HydrophobicContact CB-CG1 4.32Å; F35-I39 WeakPolarHBondContact O-CG1 3.45Å; F35-I39 PolarHBondContact O-N 3.21Å; F35-N61 PolarHBondContact N-OD1 3.07Å; F35-V64 HydrophobicContact CB-CG1 4.36Å; F35-V64 HydrophobicContact CD1-CG1 4.04Å; F35-V64 HydrophobicContact CD2-CB 4.02Å; F35-V64 HydrophobicContact CD2-CG1 3.48Å; F35-V64 VanDerWaalsContact CD2-CG1 3.48Å; F35-V64 HydrophobicContact CE1-CG1 4.19Å; F35-V64 HydrophobicContact CE2-CB 4.49Å; F35-V64 HydrophobicContact CE2-CG1 3.63Å; F35-V64 HydrophobicContact CG-CB 4.34Å; F35-V64 HydrophobicContact CG-CG1 3.7Å; F35-V64 HydrophobicContact CZ-CG1 4Å; F35-Y65 HydrophobicContact CD2-CD2 4.4Å; F35-Y65 HydrophobicContact CD2-CE1 4.21Å; F35-Y65 HydrophobicContact CD2-CE2 4Å; F35-Y65 AromaticContact CD2-CZ 3.89Å; F35-Y65 AromaticContact CE2-CD1 3.88Å; F35-Y65 HydrophobicContact CE2-CD1 3.88Å; F35-Y65 HydrophobicContact CE2-CD2 4.48Å; F35-Y65 AromaticContact CE2-CE1 3.53Å; F35-Y65 HydrophobicContact CE2-CE1 3.53Å; F35-Y65 HydrophobicContact CE2-CE2 4.16Å; F35-Y65 HydrophobicContact CE2-CG 4.34Å; F35-Y65 AromaticContact CE2-CZ 3.67Å; F35-Y65 HydrophobicContact CZ-CE1 4.48Å
36	A	94.6	Very high	86.1	Confident	29 Å²	29	123.8 Å²	123.8	24%	0.24	57%	0.57	C	S	.	*	H	α-helix	trans	-53.7	-39.8	-172.7	0	0	0	0	0	114.1	S34 Y38 Y40 M57	S34-A36 PolarHBondContact O-N 3.04Å; S34-A36 WeakPolarHBondContact OG-CB 3.35Å; S34-A36 PolarHBondContact OG-N 3.29Å; S34-A36 VanDerWaalsContact OG-N 3.1Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 3.2Å; A36-Y40 WeakPolarHBondContact O-CB 3.12Å; A36-Y40 PolarHBondContact O-N 2.91Å; A36-M57 HydrophobicContact CB-CG 3.92Å; A36-M57 HydrophobicContact CB-SD 3.76Å
37	S	94.4	Very high	87.8	Confident	48 Å²	48	119.3 Å²	119.3	34%	0.336	55%	0.552	S	S	.	*	H	α-helix	trans	-65.7	-34.6	177.3	53.8	0	0	0	0	113	F35 K41	F35-S37 VanDerWaalsContact C-N 3.28Å; F35-S37 PolarHBondContact O-N 2.99Å; F35-S37 VanDerWaalsContact O-N 3.14Å; S37-K41 VanDerWaalsContact O-CG 3.28Å; S37-K41 WeakPolarHBondContact O-CG 3.35Å; S37-K41 PolarHBondContact O-N 3.3Å; S37-K41 VanDerWaalsContact O-N 3.17Å
38	Y	95.4	Very high	89.5	Confident	137 Å²	137	111.5 Å²	111.5	54%	0.537	53%	0.534	S	S	.	.	H	α-helix	trans	-78	-40.4	179.2	-53.9	-68	0	0	0	111.1	F35 A36 Y40 K41 L42	F35-Y38 HydrophobicContact CD1-CD2 4.04Å; F35-Y38 PolarHBondContact O-N 3.23Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 3.2Å; Y38-Y40 VanDerWaalsContact C-N 3.29Å; Y38-Y40 PolarHBondContact O-N 3.21Å; Y38-K41 PolarHBondContact O-N 3.31Å; Y38-L42 WeakPolarHBondContact O-CG 3.26Å; Y38-L42 PolarHBondContact O-N 2.86Å
39	I	96.7	Very high	90.9	Very high	20 Å²	20	110 Å²	110	10%	0.103	54%	0.535	C	S	.	.	H	α-helix	trans	-57.6	-45.3	174.1	-64.9	162	0	0	0	109.9	F35 L42 L43 I52 M57 M60 N61	F35-I39 HydrophobicContact CB-CD1 3.97Å; F35-I39 HydrophobicContact CB-CG1 4.32Å; F35-I39 WeakPolarHBondContact O-CG1 3.45Å; F35-I39 PolarHBondContact O-N 3.21Å; I39-L42 PolarHBondContact O-N 2.9Å; I39-L43 WeakPolarHBondContact O-CB 3.43Å; I39-L43 PolarHBondContact O-N 3.14Å; I39-I52 HydrophobicContact CG2-CD1 4.42Å; I39-M57 HydrophobicContact CB-CE 4.44Å; I39-M57 HydrophobicContact CB-SD 3.86Å; I39-M57 HydrophobicContact CD1-SD 4.1Å; I39-M57 HydrophobicContact CG2-CE 4.18Å; I39-M57 HydrophobicContact CG2-SD 3.72Å; I39-M60 HydrophobicContact CD1-CB 3.91Å; I39-M60 HydrophobicContact CG2-CB 4.16Å; I39-N61 HydrophobicContact CD1-CB 4.22Å
40	Y	96.7	Very high	92.3	Very high	116 Å²	116	104.1 Å²	104.1	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-42.7	177	-172	-96.6	0	0	0	112.9	A36 Y38 L42 L43 K44 I52	A36-Y40 WeakPolarHBondContact O-CB 3.12Å; A36-Y40 PolarHBondContact O-N 2.91Å; Y38-Y40 VanDerWaalsContact C-N 3.29Å; Y38-Y40 PolarHBondContact O-N 3.21Å; Y40-L42 PolarHBondContact O-N 3.44Å; Y40-L43 PolarHBondContact O-N 2.99Å; Y40-K44 HydrophobicContact CD1-CG 4.24Å; Y40-K44 HydrophobicContact CE1-CG 3.79Å; Y40-K44 HydrophobicContact CE2-CG 4.5Å; Y40-K44 PolarHBondContact O-N 3.37Å; Y40-K44 WeakPolarHBondContact OH-CE 3.39Å; Y40-I52 HydrophobicContact CD2-CG2 4.39Å
41	K	96.6	Very high	93.5	Very high	143 Å²	143	101 Å²	101	62%	0.622	51%	0.506	S	S	*	.	H	α-helix	trans	-60.2	-44.7	176	-77.1	175	-179.1	-176	0	111.8	S37 Y38 K44 Q45	S37-K41 VanDerWaalsContact O-CG 3.28Å; S37-K41 WeakPolarHBondContact O-CG 3.35Å; S37-K41 PolarHBondContact O-N 3.3Å; S37-K41 VanDerWaalsContact O-N 3.17Å; Y38-K41 PolarHBondContact O-N 3.31Å; K41-K44 PolarHBondContact O-N 3.32Å; K41-Q45 PolarHBondContact O-N 3.38Å; K41-Q45 VanDerWaalsContact O-N 3.09Å
42	L	95.7	Very high	94.8	Very high	106 Å²	106	93.2 Å²	93.2	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-64.4	-43.8	176.7	-74.2	172.6	0	0	0	111.5	Y38 I39 Y40 K44 Q45 V46	Y38-L42 WeakPolarHBondContact O-CG 3.26Å; Y38-L42 PolarHBondContact O-N 2.86Å; I39-L42 PolarHBondContact O-N 2.9Å; Y40-L42 PolarHBondContact O-N 3.44Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.04Å; L42-Q45 WeakPolarHBondContact O-CB 3.34Å; L42-Q45 PolarHBondContact O-N 3.35Å; L42-Q45 VanDerWaalsContact O-N 3.12Å; L42-V46 PolarHBondContact O-N 3.18Å; L42-V46 VanDerWaalsContact O-N 3.16Å
43	L	97.3	Very high	95.8	Very high	33 Å²	33	87.4 Å²	87.4	17%	0.173	46%	0.463	C	S	.	.	H	α-helix	trans	-56.8	-47.2	176.1	177.3	64.7	0	0	0	111.2	I39 Y40 Q45 V46 H47 I52	I39-L43 WeakPolarHBondContact O-CB 3.43Å; I39-L43 PolarHBondContact O-N 3.14Å; Y40-L43 PolarHBondContact O-N 2.99Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.33Å; L43-V46 PolarHBondContact O-N 2.89Å; L43-H47 HydrophobicContact CD1-CB 4.32Å; L43-H47 CarbonylContact O-C 3.54Å; L43-H47 WeakPolarHBondContact O-CA 3.35Å; L43-H47 PolarHBondContact O-N 3.4Å; L43-I52 HydrophobicContact CD2-CB 3.73Å; L43-I52 HydrophobicContact CD2-CG2 3.75Å
44	K	97.8	Very high	96.4	Very high	67 Å²	67	84.4 Å²	84.4	29%	0.291	46%	0.461	S	S	.	.	H	α-helix	trans	-69.5	-22.2	179.4	-69.1	-53.9	-169.5	-175	0	114.1	Y40 K41 L42 P48 T50	Y40-K44 HydrophobicContact CD1-CG 4.24Å; Y40-K44 HydrophobicContact CE1-CG 3.79Å; Y40-K44 HydrophobicContact CE2-CG 4.5Å; Y40-K44 PolarHBondContact O-N 3.37Å; Y40-K44 WeakPolarHBondContact OH-CE 3.39Å; K41-K44 PolarHBondContact O-N 3.32Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.04Å; K44-P48 WeakPolarHBondContact CD-O 3.44Å; K44-P48 PolarHBondContact NZ-O 3.31Å; K44-T50 PolarHBondContact NZ-O 2.98Å
45	Q	97	Very high	96.6	Very high	158 Å²	158	89.6 Å²	89.6	74%	0.738	48%	0.478	S	S	*	.	H	α-helix	trans	-74	-32.4	172.8	-173	178.2	-29.9	0	0	112.4	K41 L42 L43	K41-Q45 PolarHBondContact O-N 3.38Å; K41-Q45 VanDerWaalsContact O-N 3.09Å; L42-Q45 WeakPolarHBondContact O-CB 3.34Å; L42-Q45 PolarHBondContact O-N 3.35Å; L42-Q45 VanDerWaalsContact O-N 3.12Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 3.33Å
46	V	97.6	Very high	96.8	Very high	100 Å²	100	88.3 Å²	88.3	61%	0.606	48%	0.478	S	S	*	.	H	α-helix	trans	-96.5	-38.3	-177.9	-176.2	0	0	0	0	112.3	L42 L43	L42-V46 PolarHBondContact O-N 3.18Å; L42-V46 VanDerWaalsContact O-N 3.16Å; L43-V46 PolarHBondContact O-N 2.89Å
47	H	97.5	Very high	96.9	Very high	102 Å²	102	88.4 Å²	88.4	47%	0.472	47%	0.474	S	S	.	.			trans	-136.7	85.1	-178.3	-61.4	-60.8	0	0	0	110.9	L43 D49 T50	L43-H47 HydrophobicContact CD1-CB 4.32Å; L43-H47 CarbonylContact O-C 3.54Å; L43-H47 WeakPolarHBondContact O-CA 3.35Å; L43-H47 PolarHBondContact O-N 3.4Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.14Å; H47-T50 PolarHBondContact O-N 3.18Å
48	P	97.4	Very high	96.9	Very high	82 Å²	82	89.6 Å²	89.6	53%	0.532	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.6	-177.2	-26.4	35.5	0	0	0	114.1	K44	K44-P48 WeakPolarHBondContact CD-O 3.44Å; K44-P48 PolarHBondContact NZ-O 3.31Å
49	D	97.4	Very high	97	Very high	162 Å²	162	88 Å²	88	87%	0.866	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.4	-174.2	-54.1	-44.3	0	0	0	113.6	H47	H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 PolarHBondContact O-N 3.14Å
50	T	97	Very high	97.1	Very high	69 Å²	69	90.8 Å²	90.8	42%	0.423	50%	0.496	S	S	.	.			trans	-93.4	138.1	-177.2	-58.4	0	0	0	0	111.5	K44 H47	K44-T50 PolarHBondContact NZ-O 2.98Å; H47-T50 PolarHBondContact O-N 3.18Å
51	G	96.4	Very high	97.1	Very high	58 Å²	58	86.5 Å²	86.5	60%	0.598	48%	0.48	S	S	*	.			trans	-100.6	169.1	170.3	0	0	0	0	0	112.3
52	I	97.5	Very high	97.1	Very high	54 Å²	54	82.9 Å²	82.9	28%	0.277	47%	0.473	S	S	.	.			trans	-130.7	133.8	174.7	-174.1	170.2	0	0	0	109.6	I39 Y40 L43 A56 M57 M60	I39-I52 HydrophobicContact CG2-CD1 4.42Å; Y40-I52 HydrophobicContact CD2-CG2 4.39Å; L43-I52 HydrophobicContact CD2-CB 3.73Å; L43-I52 HydrophobicContact CD2-CG2 3.75Å; I52-A56 HydrophobicContact CD1-CB 4.08Å; I52-A56 HydrophobicContact CG1-CB 3.61Å; I52-M57 HydrophobicContact CD1-CE 4.47Å; I52-M57 HydrophobicContact CG2-CE 3.54Å; I52-M60 HydrophobicContact CD1-CG 4.24Å
53	S	97.6	Very high	97.2	Very high	71 Å²	71	83.6 Å²	83.6	50%	0.497	47%	0.472	S	S	.	.			trans	-71.1	159.6	178.4	72.4	0	0	0	0	111.6	K55 A56 M57	S53-K55 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 2.93Å; S53-A56 PolarHBondContact O-N 3.13Å; S53-A56 WeakPolarHBondContact OG-CB 3.23Å; S53-A56 PolarHBondContact OG-N 3.5Å; S53-A56 VanDerWaalsContact OG-N 3.15Å; S53-M57 WeakPolarHBondContact O-CB 3.5Å; S53-M57 PolarHBondContact O-N 3.36Å
54	S	96.2	Very high	97.1	Very high	109 Å²	109	84.1 Å²	84.1	76%	0.762	48%	0.476	S	S	*	.	H	α-helix	trans	-60.4	-38.7	176.3	56.8	0	0	0	0	112.5	M57 S58	S54-M57 PolarHBondContact O-N 2.96Å; S54-S58 PolarHBondContact O-N 2.95Å
55	K	97.4	Very high	97.1	Very high	158 Å²	158	85.2 Å²	85.2	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-63.8	-47.6	175.7	-172.7	176.1	-179.2	179.4	0	111.2	S53 M57 S58 I59	S53-K55 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 2.93Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 3.44Å; K55-S58 WeakPolarHBondContact O-CB 3.41Å; K55-S58 PolarHBondContact O-N 3.27Å; K55-I59 HydrophobicContact CG-CD1 4.33Å; K55-I59 WeakPolarHBondContact O-CG1 3.18Å; K55-I59 PolarHBondContact O-N 3.2Å
56	A	97.8	Very high	97.1	Very high	33 Å²	33	81 Å²	81	27%	0.273	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-40.1	177	0	0	0	0	0	111.8	I52 S53 S58 I59 M60	I52-A56 HydrophobicContact CD1-CB 4.08Å; I52-A56 HydrophobicContact CG1-CB 3.61Å; S53-A56 PolarHBondContact O-N 3.13Å; S53-A56 WeakPolarHBondContact OG-CB 3.23Å; S53-A56 PolarHBondContact OG-N 3.5Å; S53-A56 VanDerWaalsContact OG-N 3.15Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.43Å; A56-I59 PolarHBondContact O-N 2.88Å; A56-M60 WeakPolarHBondContact O-CG 3.31Å; A56-M60 PolarHBondContact O-N 3.24Å
57	M	96.7	Very high	97.1	Very high	31 Å²	31	78 Å²	78	15%	0.153	44%	0.444	C	S	.	.	H	α-helix	trans	-59.7	-41.8	174.2	-175.4	62	78.6	0	0	111.9	A36 I39 I52 S53 S54 K55 M60 N61	A36-M57 HydrophobicContact CB-CG 3.92Å; A36-M57 HydrophobicContact CB-SD 3.76Å; I39-M57 HydrophobicContact CB-CE 4.44Å; I39-M57 HydrophobicContact CB-SD 3.86Å; I39-M57 HydrophobicContact CD1-SD 4.1Å; I39-M57 HydrophobicContact CG2-CE 4.18Å; I39-M57 HydrophobicContact CG2-SD 3.72Å; I52-M57 HydrophobicContact CD1-CE 4.47Å; I52-M57 HydrophobicContact CG2-CE 3.54Å; S53-M57 WeakPolarHBondContact O-CB 3.5Å; S53-M57 PolarHBondContact O-N 3.36Å; S54-M57 PolarHBondContact O-N 2.96Å; K55-M57 VanDerWaalsContact C-N 3.34Å; K55-M57 PolarHBondContact O-N 3.44Å; M57-M60 PolarHBondContact O-N 3.45Å; M57-N61 VanDerWaalsContact O-CB 3.28Å; M57-N61 WeakPolarHBondContact O-CB 3.28Å; M57-N61 PolarHBondContact O-N 3.42Å
58	S	96.2	Very high	97	Very high	72 Å²	72	79.8 Å²	79.8	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.9	-168.8	0	0	0	0	112	S54 K55 A56 N61 S62	S54-S58 PolarHBondContact O-N 2.95Å; K55-S58 WeakPolarHBondContact O-CB 3.41Å; K55-S58 PolarHBondContact O-N 3.27Å; A56-S58 VanDerWaalsContact C-N 3.31Å; A56-S58 PolarHBondContact O-N 3.43Å; S58-N61 PolarHBondContact O-N 2.79Å; S58-S62 PolarHBondContact O-N 3.32Å; S58-S62 PolarHBondContact O-OG 2.85Å
59	I	97.6	Very high	97	Very high	103 Å²	103	81 Å²	81	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-48.5	177.5	-66.5	165.6	0	0	0	110.3	K55 A56 N61 S62 F63	K55-I59 HydrophobicContact CG-CD1 4.33Å; K55-I59 WeakPolarHBondContact O-CG1 3.18Å; K55-I59 PolarHBondContact O-N 3.2Å; A56-I59 PolarHBondContact O-N 2.88Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.92Å; I59-S62 PolarHBondContact O-N 3.41Å; I59-F63 WeakPolarHBondContact O-CB 3.31Å; I59-F63 PolarHBondContact O-N 3.39Å
60	M	97.7	Very high	97	Very high	80 Å²	80	79.9 Å²	79.9	39%	0.394	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-40.1	178.8	-70.4	-58.5	-64	0	0	112.2	I39 I52 A56 M57 F63 V64	I39-M60 HydrophobicContact CD1-CB 3.91Å; I39-M60 HydrophobicContact CG2-CB 4.16Å; I52-M60 HydrophobicContact CD1-CG 4.24Å; A56-M60 WeakPolarHBondContact O-CG 3.31Å; A56-M60 PolarHBondContact O-N 3.24Å; M57-M60 PolarHBondContact O-N 3.45Å; M60-F63 PolarHBondContact O-N 3.32Å; M60-V64 WeakPolarHBondContact O-CG2 3.39Å; M60-V64 PolarHBondContact O-N 2.89Å
61	N	96.1	Very high	97	Very high	26 Å²	26	78.2 Å²	78.2	14%	0.139	42%	0.424	C	S	.	.	H	α-helix	trans	-62.9	-44.2	176.2	-180	83.5	0	0	0	111.5	S34 F35 I39 M57 S58 I59 V64 Y65	S34-N61 PolarHBondContact OG-OD1 2.74Å; F35-N61 PolarHBondContact N-OD1 3.07Å; I39-N61 HydrophobicContact CD1-CB 4.22Å; M57-N61 VanDerWaalsContact O-CB 3.28Å; M57-N61 WeakPolarHBondContact O-CB 3.28Å; M57-N61 PolarHBondContact O-N 3.42Å; S58-N61 PolarHBondContact O-N 2.79Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.92Å; N61-V64 PolarHBondContact O-N 3.42Å; N61-Y65 WeakPolarHBondContact ND2-CE2 3.39Å; N61-Y65 WeakPolarHBondContact O-CD2 3.48Å; N61-Y65 PolarHBondContact O-N 2.98Å; N61-Y65 VanDerWaalsContact O-N 3.16Å
62	S	96.9	Very high	97.1	Very high	67 Å²	67	76.9 Å²	76.9	47%	0.469	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-38.5	174.4	-62.8	0	0	0	0	112.7	S58 I59 V64 Y65 D66	S58-S62 PolarHBondContact O-N 3.32Å; S58-S62 PolarHBondContact O-OG 2.85Å; I59-S62 PolarHBondContact O-N 3.41Å; S62-V64 VanDerWaalsContact C-N 3.33Å; S62-V64 PolarHBondContact O-N 3.48Å; S62-Y65 PolarHBondContact O-N 3.43Å; S62-D66 PolarHBondContact O-N 2.92Å
63	F	97.3	Very high	97.1	Very high	120 Å²	120	77 Å²	77	53%	0.526	41%	0.414	S	S	.	.	H	α-helix	trans	-60.6	-41.5	175.9	173.2	-110.8	0	0	0	112.3	I59 M60 D66 T67	I59-F63 WeakPolarHBondContact O-CB 3.31Å; I59-F63 PolarHBondContact O-N 3.39Å; M60-F63 PolarHBondContact O-N 3.32Å; F63-D66 PolarHBondContact O-N 3.5Å; F63-T67 WeakPolarHBondContact O-CB 3.36Å; F63-T67 PolarHBondContact O-N 2.89Å; F63-T67 PolarHBondContact O-OG1 2.8Å
64	V	96.9	Very high	97.2	Very high	44 Å²	44	75.3 Å²	75.3	27%	0.267	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.7	175.7	0	0	0	0	110.9	F35 M60 N61 S62 T67 F68	F35-V64 HydrophobicContact CB-CG1 4.36Å; F35-V64 HydrophobicContact CD1-CG1 4.04Å; F35-V64 HydrophobicContact CD2-CB 4.02Å; F35-V64 HydrophobicContact CD2-CG1 3.48Å; F35-V64 VanDerWaalsContact CD2-CG1 3.48Å; F35-V64 HydrophobicContact CE1-CG1 4.19Å; F35-V64 HydrophobicContact CE2-CB 4.49Å; F35-V64 HydrophobicContact CE2-CG1 3.63Å; F35-V64 HydrophobicContact CG-CB 4.34Å; F35-V64 HydrophobicContact CG-CG1 3.7Å; F35-V64 HydrophobicContact CZ-CG1 4Å; M60-V64 WeakPolarHBondContact O-CG2 3.39Å; M60-V64 PolarHBondContact O-N 2.89Å; N61-V64 PolarHBondContact O-N 3.42Å; S62-V64 VanDerWaalsContact C-N 3.33Å; S62-V64 PolarHBondContact O-N 3.48Å; V64-T67 PolarHBondContact O-N 3.43Å; V64-F68 VanDerWaalsContact O-CB 3.23Å; V64-F68 WeakPolarHBondContact O-CB 3.15Å; V64-F68 PolarHBondContact O-N 3.45Å
65	Y	96.9	Very high	97.2	Very high	91 Å²	91	70.1 Å²	70.1	36%	0.357	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-45.4	177	-79.8	-63.3	0	0	0	113	E33 F35 N61 S62 T67 F68 D69	E33-Y65 PolarHBondContact O-OH 3.46Å; F35-Y65 HydrophobicContact CD2-CD2 4.4Å; F35-Y65 HydrophobicContact CD2-CE1 4.21Å; F35-Y65 HydrophobicContact CD2-CE2 4Å; F35-Y65 AromaticContact CD2-CZ 3.89Å; F35-Y65 AromaticContact CE2-CD1 3.88Å; F35-Y65 HydrophobicContact CE2-CD1 3.88Å; F35-Y65 HydrophobicContact CE2-CD2 4.48Å; F35-Y65 AromaticContact CE2-CE1 3.53Å; F35-Y65 HydrophobicContact CE2-CE1 3.53Å; F35-Y65 HydrophobicContact CE2-CE2 4.16Å; F35-Y65 HydrophobicContact CE2-CG 4.34Å; F35-Y65 AromaticContact CE2-CZ 3.67Å; F35-Y65 HydrophobicContact CZ-CE1 4.48Å; N61-Y65 WeakPolarHBondContact ND2-CE2 3.39Å; N61-Y65 WeakPolarHBondContact O-CD2 3.48Å; N61-Y65 PolarHBondContact O-N 2.98Å; N61-Y65 VanDerWaalsContact O-N 3.16Å; S62-Y65 PolarHBondContact O-N 3.43Å; Y65-T67 PolarHBondContact O-N 3.24Å; Y65-F68 PolarHBondContact O-N 2.98Å; Y65-D69 WeakPolarHBondContact O-CB 3.43Å; Y65-D69 PolarHBondContact O-N 3.44Å
66	D	97.2	Very high	97.3	Very high	68 Å²	68	64.6 Å²	64.6	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-46.7	176.9	-178.9	22.9	0	0	0	111.1	S62 F63 F68 D69 R70	S62-D66 PolarHBondContact O-N 2.92Å; F63-D66 PolarHBondContact O-N 3.5Å; D66-F68 PolarHBondContact O-N 3.38Å; D66-D69 PolarHBondContact O-N 2.79Å; D66-R70 VanDerWaalsContact O-CG 3.28Å; D66-R70 WeakPolarHBondContact O-CG 3.36Å; D66-R70 PolarHBondContact O-N 3.05Å; D66-R70 IonicContact OD1-CZ 2.71Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 2.92Å; D66-R70 IonicContact OD1-NH2 3Å; D66-R70 PolarHBondContact OD1-NH2 2.78Å; D66-R70 IonicContact OD2-CZ 3.41Å; D66-R70 IonicContact OD2-NE 3.54Å; D66-R70 IonicContact OD2-NH2 3.38Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å
67	T	96.5	Very high	97.3	Very high	38 Å²	38	69 Å²	69	23%	0.233	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-40.7	178.2	-51.9	0	0	0	0	112	F63 V64 Y65 I71	F63-T67 WeakPolarHBondContact O-CB 3.36Å; F63-T67 PolarHBondContact O-N 2.89Å; F63-T67 PolarHBondContact O-OG1 2.8Å; V64-T67 PolarHBondContact O-N 3.43Å; Y65-T67 PolarHBondContact O-N 3.24Å; T67-I71 HydrophobicContact CG2-CD1 3.97Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.47Å; T67-I71 PolarHBondContact O-N 3.02Å
68	F	96.5	Very high	97.3	Very high	139 Å²	139	68.7 Å²	68.7	61%	0.61	35%	0.351	S	S	*	.	H	α-helix	trans	-63.3	-45.8	178.1	-179.2	-89.9	0	0	0	111.8	V64 Y65 D66 I71 G72	V64-F68 VanDerWaalsContact O-CB 3.23Å; V64-F68 WeakPolarHBondContact O-CB 3.15Å; V64-F68 PolarHBondContact O-N 3.45Å; Y65-F68 PolarHBondContact O-N 2.98Å; D66-F68 PolarHBondContact O-N 3.38Å; F68-I71 PolarHBondContact O-N 3.16Å; F68-G72 PolarHBondContact O-N 3.1Å
69	D	97.3	Very high	97.4	Very high	107 Å²	107	65.4 Å²	65.4	57%	0.572	33%	0.329	S	S	*	.	H	α-helix	trans	-64.1	-41.8	179.8	-170.7	58.3	0	0	0	111.9	Y65 D66 G72 T73	Y65-D69 WeakPolarHBondContact O-CB 3.43Å; Y65-D69 PolarHBondContact O-N 3.44Å; D66-D69 PolarHBondContact O-N 2.79Å; D69-G72 PolarHBondContact O-N 2.92Å; D69-T73 WeakPolarHBondContact O-CB 3.44Å; D69-T73 PolarHBondContact O-N 2.86Å; D69-T73 PolarHBondContact O-OG1 3.3Å
70	R	97.9	Very high	97.3	Very high	139 Å²	139	66.5 Å²	66.5	53%	0.525	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-47.9	173.9	-69.8	176.7	-165	-157.7	6.8	111.9	D66 T73 E74 L99	D66-R70 VanDerWaalsContact O-CG 3.28Å; D66-R70 WeakPolarHBondContact O-CG 3.36Å; D66-R70 PolarHBondContact O-N 3.05Å; D66-R70 IonicContact OD1-CZ 2.71Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 2.92Å; D66-R70 IonicContact OD1-NH2 3Å; D66-R70 PolarHBondContact OD1-NH2 2.78Å; D66-R70 IonicContact OD2-CZ 3.41Å; D66-R70 IonicContact OD2-NE 3.54Å; D66-R70 IonicContact OD2-NH2 3.38Å; D66-R70 PolarHBondContact OD2-NH2 3.4Å; R70-T73 PolarHBondContact O-N 3.43Å; R70-E74 WeakPolarHBondContact O-CB 3.33Å; R70-E74 PolarHBondContact O-N 3.17Å; R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.96Å; R70-L99 HydrophobicContact CB-CD2 4.26Å
71	I	97.7	Very high	97.3	Very high	35 Å²	35	71 Å²	71	18%	0.179	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-45.1	178.3	-67.4	165.7	0	0	0	110.7	T67 F68 E74 A75 I92 A95 V96 L99	T67-I71 HydrophobicContact CG2-CD1 3.97Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.47Å; T67-I71 PolarHBondContact O-N 3.02Å; F68-I71 PolarHBondContact O-N 3.16Å; I71-E74 PolarHBondContact O-N 2.95Å; I71-A75 VanDerWaalsContact O-CB 3.23Å; I71-A75 WeakPolarHBondContact O-CB 3.3Å; I71-A75 PolarHBondContact O-N 3.44Å; I71-I92 HydrophobicContact CG2-CD1 4.47Å; I71-I92 HydrophobicContact CG2-CG2 4.35Å; I71-A95 HydrophobicContact CG2-CB 4.31Å; I71-V96 HydrophobicContact CD1-CG2 4.05Å; I71-V96 HydrophobicContact CG1-CG2 4.32Å; I71-V96 HydrophobicContact CG2-CG2 4.22Å; I71-L99 VanDerWaalsContact CA-CD1 3.47Å; I71-L99 HydrophobicContact CB-CD1 4.16Å; I71-L99 HydrophobicContact CG1-CD1 3.61Å
72	G	97.7	Very high	97.3	Very high	30 Å²	30	73.7 Å²	73.7	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-43.7	179	0	0	0	0	0	112.6	F68 D69 A75 S76	F68-G72 PolarHBondContact O-N 3.1Å; D69-G72 PolarHBondContact O-N 2.92Å; G72-A75 PolarHBondContact O-N 2.93Å; G72-S76 WeakPolarHBondContact O-CB 3.28Å; G72-S76 PolarHBondContact O-N 2.9Å
73	T	98	Very high	97.2	Very high	57 Å²	57	77.6 Å²	77.6	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-47.7	176.8	-63.1	0	0	0	0	111.3	D69 R70 S76 R77	D69-T73 WeakPolarHBondContact O-CB 3.44Å; D69-T73 PolarHBondContact O-N 2.86Å; D69-T73 PolarHBondContact O-OG1 3.3Å; R70-T73 PolarHBondContact O-N 3.43Å; T73-S76 WeakPolarHBondContact O-CB 3.44Å; T73-S76 PolarHBondContact O-N 3.36Å; T73-R77 WeakPolarHBondContact O-CG 3.45Å; T73-R77 PolarHBondContact O-N 3.02Å
74	E	98	Very high	97.2	Very high	35 Å²	35	78.5 Å²	78.5	16%	0.164	38%	0.375	C	S	.	.	H	α-helix	trans	-69.2	-38.7	-178.7	-166	59.7	-157.2	0	0	111.9	R70 I71 S76 R77 L78 A95 L98 L99	R70-E74 WeakPolarHBondContact O-CB 3.33Å; R70-E74 PolarHBondContact O-N 3.17Å; I71-E74 PolarHBondContact O-N 2.95Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 2.9Å; E74-R77 PolarHBondContact O-N 3.14Å; E74-R77 IonicContact OE2-CZ 3.94Å; E74-R77 IonicContact OE2-NH1 2.76Å; E74-R77 PolarHBondContact OE2-NH1 3Å; E74-L78 WeakPolarHBondContact O-CG 3.41Å; E74-L78 PolarHBondContact O-N 2.89Å; E74-A95 HydrophobicContact CB-CB 3.92Å; E74-A95 HydrophobicContact CG-CB 4.09Å; E74-L98 HydrophobicContact CG-CB 4.42Å; E74-L98 HydrophobicContact CG-CD1 4.04Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.23Å; E74-L99 HydrophobicContact CB-CD1 4.18Å; E74-L99 HydrophobicContact CB-CG 4.5Å
75	A	98.1	Very high	97.1	Very high	0 Å²	0	85.6 Å²	85.6	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.6	-35.7	174.1	0	0	0	0	0	112.4	I71 G72 L78 A79 I87 E91 I92 A95	I71-A75 VanDerWaalsContact O-CB 3.23Å; I71-A75 WeakPolarHBondContact O-CB 3.3Å; I71-A75 PolarHBondContact O-N 3.44Å; G72-A75 PolarHBondContact O-N 2.93Å; A75-L78 PolarHBondContact O-N 3.33Å; A75-A79 PolarHBondContact O-N 3.41Å; A75-I87 HydrophobicContact CB-CG2 3.86Å; A75-E91 HydrophobicContact CB-CB 4.37Å; A75-I92 HydrophobicContact CB-CD1 3.65Å; A75-I92 HydrophobicContact CB-CG1 4.45Å; A75-A95 HydrophobicContact CB-CB 3.98Å
76	S	97.7	Very high	97.1	Very high	42 Å²	42	86.4 Å²	86.4	29%	0.294	42%	0.42	S	S	.	.	H	α-helix	trans	-64.3	-45	173.3	-178.2	0	0	0	0	111.7	G72 T73 E74 L78 A79 Q80	G72-S76 WeakPolarHBondContact O-CB 3.28Å; G72-S76 PolarHBondContact O-N 2.9Å; T73-S76 WeakPolarHBondContact O-CB 3.44Å; T73-S76 PolarHBondContact O-N 3.36Å; E74-S76 VanDerWaalsContact C-N 3.31Å; E74-S76 PolarHBondContact O-N 2.9Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.89Å; S76-A79 PolarHBondContact O-N 2.99Å; S76-Q80 WeakPolarHBondContact O-CG 3.45Å; S76-Q80 PolarHBondContact O-N 3.09Å; S76-Q80 PolarHBondContact OG-NE2 2.9Å
77	R	97.7	Very high	97.1	Very high	124 Å²	124	86.8 Å²	86.8	47%	0.468	42%	0.421	S	S	.	.	H	α-helix	trans	-59.2	-44.8	174.1	-70.2	176.3	-173.8	163	-3.9	111.5	T73 E74 A79 Q80 Y81	T73-R77 WeakPolarHBondContact O-CG 3.45Å; T73-R77 PolarHBondContact O-N 3.02Å; E74-R77 PolarHBondContact O-N 3.14Å; E74-R77 IonicContact OE2-CZ 3.94Å; E74-R77 IonicContact OE2-NH1 2.76Å; E74-R77 PolarHBondContact OE2-NH1 3Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-A79 PolarHBondContact O-N 3.41Å; R77-Q80 WeakPolarHBondContact O-CB 3.32Å; R77-Q80 PolarHBondContact O-N 3.21Å; R77-Y81 HydrophobicContact CB-CE2 4.16Å; R77-Y81 WeakPolarHBondContact O-CD2 3.37Å; R77-Y81 PolarHBondContact O-N 3.42Å
78	L	97.8	Very high	96.9	Very high	25 Å²	25	86.4 Å²	86.4	13%	0.131	43%	0.425	C	S	.	.	H	α-helix	trans	-61.8	-39.9	176.7	-71.1	169.7	0	0	0	112.7	E74 A75 S76 N82 E91 T94 A95 L98	E74-L78 WeakPolarHBondContact O-CG 3.41Å; E74-L78 PolarHBondContact O-N 2.89Å; A75-L78 PolarHBondContact O-N 3.33Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.89Å; L78-N82 PolarHBondContact O-N 3.49Å; L78-N82 PolarHBondContact O-ND2 3.06Å; L78-E91 HydrophobicContact CB-CB 4.26Å; L78-E91 HydrophobicContact CB-CG 4.15Å; L78-E91 WeakPolarHBondContact CD1-O 3.26Å; L78-T94 HydrophobicContact CD1-CG2 3.74Å; L78-T94 HydrophobicContact CD2-CG2 4.19Å; L78-A95 HydrophobicContact CD1-CB 4.08Å; L78-L98 HydrophobicContact CD1-CD1 4.23Å; L78-L98 HydrophobicContact CD2-CD1 4.24Å
79	A	97.6	Very high	96.7	Very high	4 Å²	4	84 Å²	84	3%	0.033	43%	0.425	C	S	.	.	H	α-helix	trans	-63.8	-43.2	174.9	0	0	0	0	0	111.4	A75 S76 R77 N82 N83 R84 I87 E91	A75-A79 PolarHBondContact O-N 3.41Å; S76-A79 PolarHBondContact O-N 2.99Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-A79 PolarHBondContact O-N 3.41Å; A79-N82 CarbonylContact O-C 3.46Å; A79-N82 PolarHBondContact O-N 3.36Å; A79-N83 PolarHBondContact O-N 3.39Å; A79-R84 PolarHBondContact O-N 2.99Å; A79-I87 HydrophobicContact CB-CG1 4.02Å; A79-E91 HydrophobicContact CB-CG 4.29Å
80	Q	97	Very high	96.5	Very high	125 Å²	125	86.7 Å²	86.7	58%	0.584	43%	0.428	S	S	*	.	H	α-helix	trans	-62.3	-45.1	176.9	-70	173.2	45.6	0	0	112.1	S76 R77 N82 N83	S76-Q80 WeakPolarHBondContact O-CG 3.45Å; S76-Q80 PolarHBondContact O-N 3.09Å; S76-Q80 PolarHBondContact OG-NE2 2.9Å; R77-Q80 WeakPolarHBondContact O-CB 3.32Å; R77-Q80 PolarHBondContact O-N 3.21Å; Q80-N82 PolarHBondContact O-N 2.99Å; Q80-N83 PolarHBondContact O-N 3.17Å
81	Y	96.7	Very high	96.4	Very high	176 Å²	176	80.3 Å²	80.3	69%	0.69	40%	0.404	S	S	*	.	H	α-helix	trans	-61.1	-28.9	176.1	-69.4	-44.3	0	0	0	113.3	R77 N83	R77-Y81 HydrophobicContact CB-CE2 4.16Å; R77-Y81 WeakPolarHBondContact O-CD2 3.37Å; R77-Y81 PolarHBondContact O-N 3.42Å; Y81-N83 VanDerWaalsContact C-N 3.32Å
82	N	95.8	Very high	96.3	Very high	82 Å²	82	82 Å²	82	44%	0.439	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.8	176.7	-69.8	-61.3	0	0	0	113.4	L78 A79 Q80 R84	L78-N82 PolarHBondContact O-N 3.49Å; L78-N82 PolarHBondContact O-ND2 3.06Å; A79-N82 CarbonylContact O-C 3.46Å; A79-N82 PolarHBondContact O-N 3.36Å; Q80-N82 PolarHBondContact O-N 2.99Å; N82-R84 HydrophobicContact CB-CG 4.28Å; N82-R84 PolarHBondContact O-N 3.04Å
83	N	96.1	Very high	96.2	Very high	149 Å²	149	84 Å²	84	80%	0.797	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	38.5	-175.3	-58.8	-59.9	0	0	0	113.1	A79 Q80 Y81	A79-N83 PolarHBondContact O-N 3.39Å; Q80-N83 PolarHBondContact O-N 3.17Å; Y81-N83 VanDerWaalsContact C-N 3.32Å
84	R	95.8	Very high	96.1	Very high	138 Å²	138	83.7 Å²	83.7	52%	0.521	41%	0.412	S	S	.	.			trans	-109.1	139.7	178.1	-67.9	-174.2	173.4	-165.7	-7	110.8	A79 N82 E91	A79-R84 PolarHBondContact O-N 2.99Å; N82-R84 HydrophobicContact CB-CG 4.28Å; N82-R84 PolarHBondContact O-N 3.04Å; R84-E91 IonicContact NH1-OE1 3.64Å
85	H	95.2	Very high	96.1	Very high	193 Å²	193	82 Å²	82	89%	0.894	40%	0.404	S	S	*	.	S	Bend	trans	-92.4	2.4	173.6	-59.1	-62.6	0	0	0	113.3
86	T	96.8	Very high	96.1	Very high	109 Å²	109	82.9 Å²	82.9	67%	0.669	41%	0.409	S	S	*	.	S	Bend	trans	-132.3	128	-177.7	-52.1	0	0	0	0	109.6
87	I	96.6	Very high	96	Very high	76 Å²	76	88.1 Å²	88.1	39%	0.39	42%	0.422	S	S	.	.			trans	-79.6	117.4	173.7	-59.9	173	0	0	0	108	A75 A79 E91 I92	A75-I87 HydrophobicContact CB-CG2 3.86Å; A79-I87 HydrophobicContact CB-CG1 4.02Å; I87-E91 HydrophobicContact CG2-CB 4.06Å; I87-I92 HydrophobicContact CG2-CD1 3.8Å; I87-I92 HydrophobicContact CG2-CG1 3.92Å
88	G	93.6	Very high	96	Very high	29 Å²	29	87.1 Å²	87.1	30%	0.299	43%	0.426	S	S	.	.			trans	-96.5	179.4	175.1	0	0	0	0	0	112.8	R90 E91 I92	G88-R90 PolarHBondContact O-N 3.42Å; G88-E91 WeakPolarHBondContact CA-OE2 3.45Å; G88-E91 PolarHBondContact N-OE2 3Å; G88-E91 PolarHBondContact O-N 3.42Å; G88-I92 WeakPolarHBondContact O-CG1 3.44Å; G88-I92 PolarHBondContact O-N 2.94Å
89	S	92.1	Very high	96	Very high	90 Å²	90	89.1 Å²	89.1	63%	0.629	44%	0.436	S	S	*	.	H	α-helix	trans	-61.9	-31	175.8	55.5	0	0	0	0	112.6	I92 Q93	S89-I92 PolarHBondContact O-N 2.86Å; S89-Q93 WeakPolarHBondContact O-CB 3.45Å; S89-Q93 VanDerWaalsContact O-CG 3.26Å; S89-Q93 WeakPolarHBondContact O-CG 3.42Å; S89-Q93 PolarHBondContact O-N 2.93Å
90	R	92.7	Very high	95.9	Very high	163 Å²	163	90.9 Å²	90.9	62%	0.615	45%	0.445	S	S	*	.	H	α-helix	trans	-66.5	-43.9	179.1	-173	-178.6	-177.7	-146	2.2	111.8	G88 Q93 T94	G88-R90 PolarHBondContact O-N 3.42Å; R90-Q93 PolarHBondContact O-N 3.23Å; R90-T94 WeakPolarHBondContact O-CB 3.39Å; R90-T94 PolarHBondContact O-N 3.02Å; R90-T94 PolarHBondContact O-OG1 3.41Å
91	E	95.3	Very high	95.9	Very high	5 Å²	5	89.7 Å²	89.7	2%	0.023	45%	0.448	C	S	.	.	H	α-helix	trans	-64.6	-42.4	177.9	-68.1	73.6	-159.1	0	0	110.4	A75 L78 A79 R84 I87 G88 T94 A95	A75-E91 HydrophobicContact CB-CB 4.37Å; L78-E91 HydrophobicContact CB-CB 4.26Å; L78-E91 HydrophobicContact CB-CG 4.15Å; L78-E91 WeakPolarHBondContact CD1-O 3.26Å; A79-E91 HydrophobicContact CB-CG 4.29Å; R84-E91 IonicContact NH1-OE1 3.64Å; I87-E91 HydrophobicContact CG2-CB 4.06Å; G88-E91 WeakPolarHBondContact CA-OE2 3.45Å; G88-E91 PolarHBondContact N-OE2 3Å; G88-E91 PolarHBondContact O-N 3.42Å; E91-T94 PolarHBondContact O-N 3.18Å; E91-A95 VanDerWaalsContact O-CB 3.28Å; E91-A95 WeakPolarHBondContact O-CB 3.48Å; E91-A95 PolarHBondContact O-N 2.76Å
92	I	96.5	Very high	95.8	Very high	70 Å²	70	83.8 Å²	83.8	36%	0.359	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-48.4	174.8	-60.8	-69.7	0	0	0	111.5	I71 A75 I87 G88 S89 T94 A95 V96	I71-I92 HydrophobicContact CG2-CD1 4.47Å; I71-I92 HydrophobicContact CG2-CG2 4.35Å; A75-I92 HydrophobicContact CB-CD1 3.65Å; A75-I92 HydrophobicContact CB-CG1 4.45Å; I87-I92 HydrophobicContact CG2-CD1 3.8Å; I87-I92 HydrophobicContact CG2-CG1 3.92Å; G88-I92 WeakPolarHBondContact O-CG1 3.44Å; G88-I92 PolarHBondContact O-N 2.94Å; S89-I92 PolarHBondContact O-N 2.86Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.26Å; I92-A95 PolarHBondContact O-N 2.99Å; I92-V96 VanDerWaalsContact O-CG2 3.31Å; I92-V96 WeakPolarHBondContact O-CG2 3.3Å; I92-V96 PolarHBondContact O-N 3.46Å
93	Q	95.4	Very high	95.8	Very high	71 Å²	71	85 Å²	85	33%	0.332	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-39.1	179.1	-74.5	176.6	10.1	0	0	112.3	S89 R90 R97 V109	S89-Q93 WeakPolarHBondContact O-CB 3.45Å; S89-Q93 VanDerWaalsContact O-CG 3.26Å; S89-Q93 WeakPolarHBondContact O-CG 3.42Å; S89-Q93 PolarHBondContact O-N 2.93Å; R90-Q93 PolarHBondContact O-N 3.23Å; Q93-R97 WeakPolarHBondContact O-CG 3.28Å; Q93-R97 PolarHBondContact O-N 2.88Å; Q93-V109 HydrophobicContact CG-CG1 4.5Å
94	T	96.5	Very high	95.8	Very high	51 Å²	51	82.6 Å²	82.6	31%	0.313	43%	0.43	S	S	.	.	H	α-helix	trans	-68.6	-43.6	177.1	-54.1	0	0	0	0	110.8	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 3.39Å; R90-T94 PolarHBondContact O-N 3.02Å; R90-T94 PolarHBondContact O-OG1 3.41Å; E91-T94 PolarHBondContact O-N 3.18Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.26Å; T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 3.18Å; T94-R97 WeakPolarHBondContact O-CB 3.38Å; T94-R97 PolarHBondContact O-N 3.38Å; T94-L98 HydrophobicContact CG2-CD1 4.38Å; T94-L98 WeakPolarHBondContact O-CG 3.28Å; T94-L98 PolarHBondContact O-N 3.16Å
95	A	97.5	Very high	95.8	Very high	0 Å²	0	77 Å²	77	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-56.5	-43.8	174.7	0	0	0	0	0	112	I71 E74 A75 L78 E91 I92 R97 L98 L99	I71-A95 HydrophobicContact CG2-CB 4.31Å; E74-A95 HydrophobicContact CB-CB 3.92Å; E74-A95 HydrophobicContact CG-CB 4.09Å; A75-A95 HydrophobicContact CB-CB 3.98Å; L78-A95 HydrophobicContact CD1-CB 4.08Å; E91-A95 VanDerWaalsContact O-CB 3.28Å; E91-A95 WeakPolarHBondContact O-CB 3.48Å; E91-A95 PolarHBondContact O-N 2.76Å; I92-A95 PolarHBondContact O-N 2.99Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.42Å; A95-L98 PolarHBondContact O-N 2.91Å; A95-L99 WeakPolarHBondContact O-CG 3.2Å; A95-L99 PolarHBondContact O-N 3.49Å
96	V	97.5	Very high	95.9	Very high	18 Å²	18	73.8 Å²	73.8	11%	0.109	40%	0.396	C	S	.	.	H	α-helix	trans	-60	-40.4	175.2	171	0	0	0	0	111.6	I71 I92 T94 L98 L99 L100 A108 V109	I71-V96 HydrophobicContact CD1-CG2 4.05Å; I71-V96 HydrophobicContact CG1-CG2 4.32Å; I71-V96 HydrophobicContact CG2-CG2 4.22Å; I92-V96 VanDerWaalsContact O-CG2 3.31Å; I92-V96 WeakPolarHBondContact O-CG2 3.3Å; I92-V96 PolarHBondContact O-N 3.46Å; T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 3.18Å; V96-L98 VanDerWaalsContact C-N 3.33Å; V96-L99 PolarHBondContact O-N 3.32Å; V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.45Å; V96-L100 WeakPolarHBondContact O-CB 3.19Å; V96-L100 PolarHBondContact O-N 3.45Å; V96-A108 HydrophobicContact CG1-CB 3.62Å; V96-V109 HydrophobicContact CB-CG2 4.46Å; V96-V109 HydrophobicContact CG1-CG2 4.03Å
97	R	96.5	Very high	95.9	Very high	153 Å²	153	73.8 Å²	73.8	58%	0.577	39%	0.388	S	S	*	.	H	α-helix	trans	-68.4	-30.3	176.9	-68.9	174.8	-174.7	-129.9	4	113.3	Q93 T94 A95 V109	Q93-R97 WeakPolarHBondContact O-CG 3.28Å; Q93-R97 PolarHBondContact O-N 2.88Å; T94-R97 WeakPolarHBondContact O-CB 3.38Å; T94-R97 PolarHBondContact O-N 3.38Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.42Å; R97-V109 HydrophobicContact CG-CG2 3.86Å
98	L	97.1	Very high	95.9	Very high	103 Å²	103	71.9 Å²	71.9	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-76.3	-36.6	176.9	-68.2	173.9	0	0	0	112.1	E74 L78 T94 A95 V96	E74-L98 HydrophobicContact CG-CB 4.42Å; E74-L98 HydrophobicContact CG-CD1 4.04Å; E74-L98 WeakPolarHBondContact OE1-CD1 3.23Å; L78-L98 HydrophobicContact CD1-CD1 4.23Å; L78-L98 HydrophobicContact CD2-CD1 4.24Å; T94-L98 HydrophobicContact CG2-CD1 4.38Å; T94-L98 WeakPolarHBondContact O-CG 3.28Å; T94-L98 PolarHBondContact O-N 3.16Å; A95-L98 PolarHBondContact O-N 2.91Å; V96-L98 VanDerWaalsContact C-N 3.33Å
99	L	97.1	Very high	96	Very high	67 Å²	67	71.1 Å²	71.1	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-85.9	-30.6	-174.9	-68.9	168.7	0	0	0	114	R70 I71 E74 A95 V96	R70-L99 VanDerWaalsContact C-CD1 3.48Å; R70-L99 HydrophobicContact CB-CD1 3.96Å; R70-L99 HydrophobicContact CB-CD2 4.26Å; I71-L99 VanDerWaalsContact CA-CD1 3.47Å; I71-L99 HydrophobicContact CB-CD1 4.16Å; I71-L99 HydrophobicContact CG1-CD1 3.61Å; E74-L99 HydrophobicContact CB-CD1 4.18Å; E74-L99 HydrophobicContact CB-CG 4.5Å; A95-L99 WeakPolarHBondContact O-CG 3.2Å; A95-L99 PolarHBondContact O-N 3.49Å; V96-L99 PolarHBondContact O-N 3.32Å
100	L	95.9	Very high	96.1	Very high	40 Å²	40	69.4 Å²	69.4	21%	0.209	36%	0.361	C	S	.	.	S	Bend	trans	-105.4	130.3	-176.2	-56.7	-178	0	0	0	110.7	V96 L104 S105 A108	V96-L100 HydrophobicContact CG1-CD1 3.83Å; V96-L100 HydrophobicContact CG1-CG 4.45Å; V96-L100 WeakPolarHBondContact O-CB 3.19Å; V96-L100 PolarHBondContact O-N 3.45Å; L100-L104 HydrophobicContact CB-CB 4.38Å; L100-L104 HydrophobicContact CB-CD2 4.21Å; L100-L104 HydrophobicContact CB-CG 4.12Å; L100-L104 HydrophobicContact CD1-CD2 4.44Å; L100-L104 HydrophobicContact CD1-CG 4.1Å; L100-L104 HydrophobicContact CD2-CD2 3.9Å; L100-L104 HydrophobicContact CD2-CG 4.44Å; L100-L104 HydrophobicContact CG-CD2 4.4Å; L100-L104 HydrophobicContact CG-CG 4.45Å; L100-S105 WeakPolarHBondContact O-CB 3.47Å; L100-A108 HydrophobicContact CD1-CB 3.64Å
101	P	96.2	Very high	96.3	Very high	100 Å²	100	66.4 Å²	66.4	65%	0.649	35%	0.354	S	S	*	.			trans	-81.5	150.7	-179	31.4	-35.2	0	0	0	113	E103 L104	P101-E103 PolarHBondContact O-N 3.17Å; P101-L104 WeakPolarHBondContact O-CB 3.38Å; P101-L104 PolarHBondContact O-N 2.77Å; P101-L104 VanDerWaalsContact O-N 3.17Å
102	G	95.5	Very high	96.2	Very high	52 Å²	52	67.9 Å²	67.9	54%	0.536	37%	0.37	S	S	.	.	H	α-helix	trans	53	-132.7	163.1	0	0	0	0	0	114.9	L104 S105	G102-L104 PolarHBondContact O-N 3.44Å; G102-S105 PolarHBondContact O-N 3.48Å; G102-S105 PolarHBondContact O-OG 3Å
103	E	96.3	Very high	96	Very high	107 Å²	107	67.6 Å²	67.6	50%	0.5	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-31.5	-179.5	-69.2	-56.3	124.6	0	0	112.9	P101 S105 K106 H107	P101-E103 PolarHBondContact O-N 3.17Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.3Å; E103-K106 WeakPolarHBondContact O-CB 3.47Å; E103-K106 PolarHBondContact O-N 3.4Å; E103-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 IonicContact OE1-NZ 3.17Å; E103-K106 PolarHBondContact OE1-NZ 3.03Å; E103-H107 PolarHBondContact O-CD2 3.02Å; E103-H107 PolarHBondContact O-N 2.88Å
104	L	96.2	Very high	95.9	Very high	99 Å²	99	69.7 Å²	69.7	52%	0.518	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-38.8	-179.5	-172.5	61.5	0	0	0	111.7	L100 P101 G102 A108	L100-L104 HydrophobicContact CB-CB 4.38Å; L100-L104 HydrophobicContact CB-CD2 4.21Å; L100-L104 HydrophobicContact CB-CG 4.12Å; L100-L104 HydrophobicContact CD1-CD2 4.44Å; L100-L104 HydrophobicContact CD1-CG 4.1Å; L100-L104 HydrophobicContact CD2-CD2 3.9Å; L100-L104 HydrophobicContact CD2-CG 4.44Å; L100-L104 HydrophobicContact CG-CD2 4.4Å; L100-L104 HydrophobicContact CG-CG 4.45Å; P101-L104 WeakPolarHBondContact O-CB 3.38Å; P101-L104 PolarHBondContact O-N 2.77Å; P101-L104 VanDerWaalsContact O-N 3.17Å; G102-L104 PolarHBondContact O-N 3.44Å; L104-A108 VanDerWaalsContact O-CB 3.26Å; L104-A108 WeakPolarHBondContact O-CB 3.42Å; L104-A108 PolarHBondContact O-N 2.81Å
105	S	96	Very high	95.7	Very high	20 Å²	20	70 Å²	70	14%	0.14	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-42.3	174.7	70.5	0	0	0	0	112.6	L100 G102 E103 A108 V109	L100-S105 WeakPolarHBondContact O-CB 3.47Å; G102-S105 PolarHBondContact O-N 3.48Å; G102-S105 PolarHBondContact O-OG 3Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.3Å; S105-A108 PolarHBondContact O-N 2.73Å; S105-V109 WeakPolarHBondContact O-CB 3.41Å; S105-V109 VanDerWaalsContact O-CG2 3.3Å; S105-V109 WeakPolarHBondContact O-CG2 3.43Å; S105-V109 PolarHBondContact O-N 3Å
106	K	96.1	Very high	95.4	Very high	126 Å²	126	74.2 Å²	74.2	55%	0.548	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-46.9	-179.3	-62.7	-179.8	-174.1	167.4	0	110.4	E103 S110	E103-K106 WeakPolarHBondContact O-CB 3.47Å; E103-K106 PolarHBondContact O-N 3.4Å; E103-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 IonicContact OE1-NZ 3.17Å; E103-K106 PolarHBondContact OE1-NZ 3.03Å; K106-S110 WeakPolarHBondContact O-CB 3.34Å; K106-S110 PolarHBondContact O-N 3.34Å
107	H	97	Very high	95.2	Very high	110 Å²	110	77 Å²	77	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-48.2	176	-73.2	-69.5	0	0	0	111.7	E103 V109 S110 E111	E103-H107 PolarHBondContact O-CD2 3.02Å; E103-H107 PolarHBondContact O-N 2.88Å; H107-V109 PolarHBondContact O-N 3.39Å; H107-S110 PolarHBondContact O-N 3.47Å; H107-E111 WeakPolarHBondContact O-CB 3.49Å; H107-E111 WeakPolarHBondContact O-CG 3.46Å; H107-E111 PolarHBondContact O-N 2.91Å
108	A	96.2	Very high	95.1	Very high	35 Å²	35	77.5 Å²	77.5	29%	0.289	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-44.1	-178.6	0	0	0	0	0	112.7	V96 L100 L104 S105 G112	V96-A108 HydrophobicContact CG1-CB 3.62Å; L100-A108 HydrophobicContact CD1-CB 3.64Å; L104-A108 VanDerWaalsContact O-CB 3.26Å; L104-A108 WeakPolarHBondContact O-CB 3.42Å; L104-A108 PolarHBondContact O-N 2.81Å; S105-A108 PolarHBondContact O-N 2.73Å; A108-G112 PolarHBondContact O-N 3.21Å
109	V	95.5	Very high	94.9	Very high	14 Å²	14	80 Å²	80	9%	0.085	44%	0.44	C	S	.	.	H	α-helix	trans	-68.2	-39.8	177.5	174.4	0	0	0	0	111.5	Q93 V96 R97 S105 H107 G112 T113	Q93-V109 HydrophobicContact CG-CG1 4.5Å; V96-V109 HydrophobicContact CB-CG2 4.46Å; V96-V109 HydrophobicContact CG1-CG2 4.03Å; R97-V109 HydrophobicContact CG-CG2 3.86Å; S105-V109 WeakPolarHBondContact O-CB 3.41Å; S105-V109 VanDerWaalsContact O-CG2 3.3Å; S105-V109 WeakPolarHBondContact O-CG2 3.43Å; S105-V109 PolarHBondContact O-N 3Å; H107-V109 PolarHBondContact O-N 3.39Å; V109-G112 PolarHBondContact O-N 3.16Å; V109-T113 WeakPolarHBondContact O-CB 3.42Å; V109-T113 PolarHBondContact O-N 3.12Å; V109-T113 PolarHBondContact O-OG1 3.24Å
110	S	95.7	Very high	94.7	Very high	53 Å²	53	81 Å²	81	37%	0.371	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-50.7	177.3	-176	0	0	0	0	111.6	K106 H107 G112 T113 K114	K106-S110 WeakPolarHBondContact O-CB 3.34Å; K106-S110 PolarHBondContact O-N 3.34Å; H107-S110 PolarHBondContact O-N 3.47Å; S110-G112 VanDerWaalsContact C-N 3.35Å; S110-G112 PolarHBondContact O-N 3.36Å; S110-T113 PolarHBondContact O-N 2.75Å; S110-K114 WeakPolarHBondContact O-CG 3.39Å; S110-K114 PolarHBondContact O-N 3.08Å
111	E	95.3	Very high	94.7	Very high	101 Å²	101	85 Å²	85	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-63.6	-40	177.4	-69.2	-53.6	125.1	0	0	111.9	H107 T113 K114 A115	H107-E111 WeakPolarHBondContact O-CB 3.49Å; H107-E111 WeakPolarHBondContact O-CG 3.46Å; H107-E111 PolarHBondContact O-N 2.91Å; E111-T113 VanDerWaalsContact C-N 3.34Å; E111-T113 PolarHBondContact O-N 3.3Å; E111-K114 PolarHBondContact O-N 3.04Å; E111-K114 IonicContact OE1-NZ 2.77Å; E111-K114 PolarHBondContact OE1-NZ 3.49Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3.09Å
112	G	94.1	Very high	94.5	Very high	35 Å²	35	84.1 Å²	84.1	36%	0.361	47%	0.472	S	S	.	.	H	α-helix	trans	-59	-44.1	174	0	0	0	0	0	112.5	A108 V109 S110 A115 V116	A108-G112 PolarHBondContact O-N 3.21Å; V109-G112 PolarHBondContact O-N 3.16Å; S110-G112 VanDerWaalsContact C-N 3.35Å; S110-G112 PolarHBondContact O-N 3.36Å; G112-A115 PolarHBondContact O-N 3.25Å; G112-V116 WeakPolarHBondContact O-CG2 3.49Å; G112-V116 PolarHBondContact O-N 3.22Å
113	T	93.1	Very high	93.1	Very high	65 Å²	65	91.8 Å²	91.8	40%	0.399	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-43.9	179.2	-54.3	0	0	0	0	111.5	V109 S110 E111 A115 V116 T117	V109-T113 WeakPolarHBondContact O-CB 3.42Å; V109-T113 PolarHBondContact O-N 3.12Å; V109-T113 PolarHBondContact O-OG1 3.24Å; S110-T113 PolarHBondContact O-N 2.75Å; E111-T113 VanDerWaalsContact C-N 3.34Å; E111-T113 PolarHBondContact O-N 3.3Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 2.72Å; T113-V116 PolarHBondContact O-N 3.38Å; T113-T117 PolarHBondContact O-N 2.87Å; T113-T117 PolarHBondContact O-OG1 3.41Å
114	K	93.6	Very high	92.9	Very high	114 Å²	114	91.1 Å²	91.1	50%	0.496	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-42.2	174	-68	174	-166.5	168.8	0	111.7	S110 E111 T117 K118	S110-K114 WeakPolarHBondContact O-CG 3.39Å; S110-K114 PolarHBondContact O-N 3.08Å; E111-K114 PolarHBondContact O-N 3.04Å; E111-K114 IonicContact OE1-NZ 2.77Å; E111-K114 PolarHBondContact OE1-NZ 3.49Å; K114-T117 PolarHBondContact O-N 2.95Å; K114-K118 PolarHBondContact O-N 3.22Å
115	A	92.1	Very high	92.8	Very high	57 Å²	57	90.6 Å²	90.6	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-40.1	179.5	0	0	0	0	0	112.1	E111 G112 T113 K118 Y119	E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3.09Å; G112-A115 PolarHBondContact O-N 3.25Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 2.72Å; A115-K118 PolarHBondContact O-N 2.71Å; A115-Y119 WeakPolarHBondContact O-CB 3.34Å; A115-Y119 PolarHBondContact O-N 2.99Å
116	V	90.9	Very high	92.6	Very high	89 Å²	89	94.6 Å²	94.6	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-60.4	-50.2	174.4	172.5	0	0	0	0	110.4	G112 T113 K118 Y119 T120	G112-V116 WeakPolarHBondContact O-CG2 3.49Å; G112-V116 PolarHBondContact O-N 3.22Å; T113-V116 PolarHBondContact O-N 3.38Å; V116-K118 VanDerWaalsContact C-N 3.34Å; V116-K118 PolarHBondContact O-N 3.28Å; V116-Y119 PolarHBondContact O-N 3.48Å; V116-Y119 VanDerWaalsContact O-N 3.14Å; V116-T120 PolarHBondContact O-N 2.92Å; V116-T120 PolarHBondContact O-OG1 3.05Å
117	T	92	Very high	92.4	Very high	77 Å²	77	92.7 Å²	92.7	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-57.4	-46	177.7	-56	0	0	0	0	112	T113 K114 Y119 T120 N121	T113-T117 PolarHBondContact O-N 2.87Å; T113-T117 PolarHBondContact O-OG1 3.41Å; K114-T117 PolarHBondContact O-N 2.95Å; T117-Y119 VanDerWaalsContact C-N 3.33Å; T117-Y119 PolarHBondContact O-N 3.43Å; T117-T120 PolarHBondContact O-N 3.22Å; T117-N121 VanDerWaalsContact O-CG 3.25Å; T117-N121 PolarHBondContact O-N 2.76Å; T117-N121 VanDerWaalsContact O-N 3.1Å; T117-N121 PolarHBondContact O-ND2 3.47Å
118	K	94.1	Very high	92.1	Very high	164 Å²	164	91.6 Å²	91.6	71%	0.713	51%	0.506	S	S	*	.	H	α-helix	trans	-61.8	-40.7	177.3	-176	177	179.9	176.7	0	112.1	K114 A115 V116 N121 A122	K114-K118 PolarHBondContact O-N 3.22Å; A115-K118 PolarHBondContact O-N 2.71Å; V116-K118 VanDerWaalsContact C-N 3.34Å; V116-K118 PolarHBondContact O-N 3.28Å; K118-N121 PolarHBondContact O-N 3.28Å; K118-A122 WeakPolarHBondContact O-CB 3.33Å; K118-A122 PolarHBondContact O-N 3.17Å; K118-A122 VanDerWaalsContact O-N 3.13Å
119	Y	92.8	Very high	91.8	Very high	154 Å²	154	95.4 Å²	95.4	60%	0.604	52%	0.52	S	S	*	.	H	α-helix	trans	-64.9	-43.2	179.1	-179.6	-96.9	0	0	0	111.7	A115 V116 T117 N121 A122	A115-Y119 WeakPolarHBondContact O-CB 3.34Å; A115-Y119 PolarHBondContact O-N 2.99Å; V116-Y119 PolarHBondContact O-N 3.48Å; V116-Y119 VanDerWaalsContact O-N 3.14Å; T117-Y119 VanDerWaalsContact C-N 3.33Å; T117-Y119 PolarHBondContact O-N 3.43Å; Y119-N121 VanDerWaalsContact C-N 3.31Å; Y119-N121 PolarHBondContact O-N 3.26Å; Y119-A122 PolarHBondContact O-N 3.15Å
120	T	94.2	Very high	91.5	Very high	90 Å²	90	101.2 Å²	101.2	55%	0.552	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-36.9	178.5	-40.7	0	0	0	0	111.8	V116 T117	V116-T120 PolarHBondContact O-N 2.92Å; V116-T120 PolarHBondContact O-OG1 3.05Å; T117-T120 PolarHBondContact O-N 3.22Å
121	N	94.9	Very high	91.2	Very high	122 Å²	122	104.9 Å²	104.9	65%	0.652	57%	0.565	S	S	*	*	H	α-helix	trans	-81.1	-12.6	-179.9	-66	-11.4	0	0	0	114.5	T117 K118 Y119 K123	T117-N121 VanDerWaalsContact O-CG 3.25Å; T117-N121 PolarHBondContact O-N 2.76Å; T117-N121 VanDerWaalsContact O-N 3.1Å; T117-N121 PolarHBondContact O-ND2 3.47Å; K118-N121 PolarHBondContact O-N 3.28Å; Y119-N121 VanDerWaalsContact C-N 3.31Å; Y119-N121 PolarHBondContact O-N 3.26Å; N121-K123 VanDerWaalsContact C-N 3.31Å
122	A	92.1	Very high	90.9	Very high	83 Å²	83	105.3 Å²	105.3	69%	0.686	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-0.1	-178.5	0	0	0	0	0	113.5	K118 Y119	K118-A122 WeakPolarHBondContact O-CB 3.33Å; K118-A122 PolarHBondContact O-N 3.17Å; K118-A122 VanDerWaalsContact O-N 3.13Å; Y119-A122 PolarHBondContact O-N 3.15Å
123	K	66.4	Low	90.6	Very high	213 Å²	213	111.6 Å²	111.6	93%	0.926	59%	0.592	S	S	*	*			trans	-95.8	0	170.6	-72.1	-173.6	179.9	179.6	0	110.1	N121	N121-K123 VanDerWaalsContact C-N 3.31Å

Retrieved 123 of 123 residues in 151.1 ms (Link to these results)

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