A0A077Z5K0_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 A0A077Z5K0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 aa.

						>A0A077Z5K0_TRITR|A0A077Z5K0
MMSPPGSSSGGSTSKGSKNVSQSQLSSSSSKLSDKRKRRNRKESFASYIYKVLKQVHPDTGISSKAMSIMNSFVNDVFERIAAEASRLAQINQRSTISSREIQTAVRLLLPGELSKHAISEGTKAVTKYTSAK
					

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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	56.4	Low	59.6	Low	241 Å²	241	121.1 Å²	121.1	100%	1.187	82%	0.821	S	S	*	*				0	89.8	0	-67.6	-167.9	167.4	0	0	106.3
2	M	57.2	Low	59	Low	183 Å²	183	120.3 Å²	120.3	90%	0.901	82%	0.817	S	S	*	*				55.6	118.8	73.8	-116.9	100.8	96	0	0	111.5
3	S	67.2	Low	58.1	Low	103 Å²	103	121.1 Å²	121.1	72%	0.72	82%	0.816	S	S	*	*			cis	-162	163.4	9	-55.8	0	0	0	0	109.8
4	P	74.5	Confident	57.5	Low	122 Å²	122	121.4 Å²	121.4	79%	0.792	82%	0.82	S	S	*	*			trans	-134.3	-174.4	139	42	-29.2	0	0	0	111.5
5	P	63.9	Low	56.8	Low	129 Å²	129	127.6 Å²	127.6	84%	0.838	83%	0.828	S	S	*	*				-112	160.8	-88.2	31.8	-13.6	0	0	0	114.5
6	G	67.2	Low	55.9	Low	67 Å²	67	124.4 Å²	124.4	69%	0.691	83%	0.826	S	S	*	*			trans	-102.3	132.1	171.3	0	0	0	0	0	112.2
7	S	64.4	Low	55.7	Low	115 Å²	115	123.5 Å²	123.5	80%	0.804	82%	0.822	S	S	*	*				71.7	137.5	96.2	81.8	0	0	0	0	113.7
8	S	59.5	Low	55.3	Low	97 Å²	97	126.6 Å²	126.6	68%	0.678	82%	0.819	S	S	*	*			cis	168.5	144.2	2.6	37.1	0	0	0	0	108.3
9	S	51.5	Low	54.7	Low	127 Å²	127	127.5 Å²	127.5	89%	0.888	82%	0.817	S	S	*	*			trans	61.8	150.7	154.8	83.8	0	0	0	0	119.8
10	G	47.4	Very low	54.2	Low	79 Å²	79	128.2 Å²	128.2	81%	0.814	82%	0.818	S	S	*	*			cis	175.7	178.8	7.7	0	0	0	0	0	112
11	G	46.4	Very low	53.7	Low	69 Å²	69	126.7 Å²	126.7	71%	0.711	81%	0.812	S	S	*	*			trans	104.5	101.2	164	0	0	0	0	0	116.1
12	S	52.9	Low	53.2	Low	111 Å²	111	124.1 Å²	124.1	78%	0.776	80%	0.797	S	S	*	*				56.3	137.6	77.1	72.9	0	0	0	0	114.9
13	T	46.8	Very low	52.4	Low	131 Å²	131	120.2 Å²	120.2	80%	0.804	79%	0.788	S	S	*	*			cis	179.5	151.6	3.4	18.7	0	0	0	0	106.8
14	S	50.4	Low	51.4	Low	126 Å²	126	123.2 Å²	123.2	88%	0.881	79%	0.79	S	S	*	*			trans	142.6	159.8	141.7	66.8	0	0	0	0	113.5
15	K	45.9	Very low	50.1	Low	214 Å²	214	124.7 Å²	124.7	93%	0.93	79%	0.791	S	S	*	*				-167.5	138.1	-57.9	-151.6	178.5	-172.1	177.3	0	105.8
16	G	43	Very low	49	Very low	77 Å²	77	123 Å²	123	79%	0.794	78%	0.782	S	S	*	*			trans	103.8	144.9	162.9	0	0	0	0	0	115.9
17	S	53.2	Low	47.9	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	78%	0.781	S	S	*	*			cis	-166.6	129.9	7.6	-156.8	0	0	0	0	111.2
18	K	48.3	Very low	46.7	Very low	180 Å²	180	124 Å²	124	78%	0.783	78%	0.779	S	S	*	*			trans	48.5	132.1	137.6	-67.1	178.7	178.7	174.4	0	125.5
19	N	44	Very low	45.9	Very low	144 Å²	144	125.3 Å²	125.3	77%	0.77	79%	0.787	S	S	*	*			trans	69.3	137.1	140.1	-68.5	-0.1	0	0	0	118.1
20	V	45.1	Very low	45.4	Very low	140 Å²	140	123.5 Å²	123.5	85%	0.848	78%	0.775	S	S	*	*				-159.8	151.8	57.4	170.2	0	0	0	0	111.2
21	S	43.7	Very low	45	Very low	97 Å²	97	128.8 Å²	128.8	68%	0.678	78%	0.775	S	S	*	*			trans	-82.6	166.5	-172.9	-24.7	0	0	0	0	116.2
22	Q	45.7	Very low	45.1	Very low	188 Å²	188	134 Å²	134	88%	0.879	79%	0.786	S	S	*	*			trans	78.1	120.7	151.4	-74.9	177.5	-3.1	0	0	120.2
23	S	40.7	Very low	44.7	Very low	101 Å²	101	133.5 Å²	133.5	71%	0.706	78%	0.782	S	S	*	*				143.1	106	123.8	71.6	0	0	0	0	109.4
24	Q	45.6	Very low	44.7	Very low	166 Å²	166	133.7 Å²	133.7	78%	0.776	78%	0.778	S	S	*	*				92.8	142.2	103.8	-77.1	-164.6	-15	0	0	112.8
25	L	46.3	Very low	44.9	Very low	153 Å²	153	137.4 Å²	137.4	80%	0.801	78%	0.779	S	S	*	*			trans	74.4	138.2	161.8	-49.6	125.7	0	0	0	113.8
26	S	42.1	Very low	45.5	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	77%	0.773	S	S	*	*			cis	176.5	158	0.5	40.7	0	0	0	0	105.2
27	S	43.5	Very low	46.3	Very low	97 Å²	97	143 Å²	143	68%	0.678	78%	0.776	S	S	*	*			trans	62.5	107.5	150.5	62.2	0	0	0	0	118.8
28	S	39.6	Very low	46.6	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	78%	0.783	S	S	*	*				19.8	108	129.9	61.1	0	0	0	0	115.7	S30	S28-S30 PolarHBondContact O-N 2.73Å
29	S	42	Very low	47.3	Very low	123 Å²	123	152 Å²	152	86%	0.86	79%	0.788	S	S	*	*			trans	-66.1	89.6	167.1	72.1	0	0	0	0	109.3	K31	S29-K31 PolarHBondContact O-N 2.88Å
30	S	41.2	Very low	48.2	Very low	89 Å²	89	152.5 Å²	152.5	62%	0.622	79%	0.79	S	S	*	*			trans	-29.5	125.5	154.6	48.9	0	0	0	0	112.6	S28 L32	S28-S30 PolarHBondContact O-N 2.73Å; S30-L32 PolarHBondContact O-N 3.21Å
31	K	39.1	Very low	49.3	Very low	191 Å²	191	156.6 Å²	156.6	83%	0.83	79%	0.791	S	S	*	*				32.4	82.5	126.1	-64	176.7	178.7	173.9	0	113.8	S29 S33	S29-K31 PolarHBondContact O-N 2.88Å; K31-S33 PolarHBondContact O-N 3.47Å
32	L	47.5	Very low	50.7	Low	179 Å²	179	161 Å²	161	94%	0.937	80%	0.798	S	S	*	*			trans	-73.2	80	152.4	-74	173.2	0	0	0	107.6	S30 D34	S30-L32 PolarHBondContact O-N 3.21Å; L32-D34 VanDerWaalsContact C-N 3.27Å; L32-D34 PolarHBondContact O-N 2.68Å
33	S	44.7	Very low	52.4	Low	100 Å²	100	161.1 Å²	161.1	70%	0.699	80%	0.798	S	S	*	*			trans	-54.6	90.7	158.2	50.1	0	0	0	0	109.2	K31	K31-S33 PolarHBondContact O-N 3.47Å
34	D	47.6	Very low	54.9	Low	134 Å²	134	158.8 Å²	158.8	72%	0.717	78%	0.782	S	S	*	*			trans	-115.2	63.5	156.7	-116.9	-29.4	0	0	0	108.4	L32 R36	L32-D34 VanDerWaalsContact C-N 3.27Å; L32-D34 PolarHBondContact O-N 2.68Å; D34-R36 PolarHBondContact O-N 3.03Å
35	K	55.2	Low	57.3	Low	204 Å²	204	154.3 Å²	154.3	89%	0.887	76%	0.76	S	S	*	*			trans	-61.6	72.7	155.4	-150.5	178.6	-164.7	177.8	0	105.1	K37	K35-K37 PolarHBondContact O-N 2.96Å
36	R	57	Low	59.6	Low	214 Å²	214	148.5 Å²	148.5	81%	0.808	73%	0.734	S	S	*	*			trans	-53.9	96.8	178.5	-88.4	-174	173	-179.9	-0.5	105.9	D34 R38	D34-R36 PolarHBondContact O-N 3.03Å; R36-R38 PolarHBondContact O-N 2.72Å
37	K	60.1	Low	62.2	Low	196 Å²	196	146.9 Å²	146.9	85%	0.852	72%	0.722	S	S	*	*			trans	-35.8	115.8	174.2	-131.6	172.2	180	176.7	0	105.2	K35 R39	K35-K37 PolarHBondContact O-N 2.96Å; K37-R39 WeakPolarHBondContact O-CA 3.5Å; K37-R39 PolarHBondContact O-N 3.03Å
38	R	60.3	Low	64.7	Low	241 Å²	241	149 Å²	149	91%	0.909	72%	0.717	S	S	*	*			trans	-50	94.6	176.5	-81.7	-177.8	162.4	-175.1	-4.3	106.4	R36 N40	R36-R38 PolarHBondContact O-N 2.72Å; R38-N40 PolarHBondContact O-N 2.65Å
39	R	62	Low	67.5	Low	236 Å²	236	145 Å²	145	89%	0.891	69%	0.687	S	S	*	*			trans	-61.6	116.9	-173.4	-160	176.1	-176.1	178.5	1.4	103.7	K37 R41	K37-R39 WeakPolarHBondContact O-CA 3.5Å; K37-R39 PolarHBondContact O-N 3.03Å; R39-R41 PolarHBondContact O-N 3.21Å
40	N	64.1	Low	70.1	Confident	153 Å²	153	144.4 Å²	144.4	82%	0.818	67%	0.666	S	S	*	*			trans	-40.7	111.6	-177.1	-75.6	14.4	0	0	0	107.8	R38 K42	R38-N40 PolarHBondContact O-N 2.65Å; N40-K42 PolarHBondContact O-N 2.86Å
41	R	68.2	Low	72.8	Confident	227 Å²	227	146.4 Å²	146.4	86%	0.857	66%	0.664	S	S	*	*			trans	-63.6	106.8	-175.1	178.7	179.7	176.3	-174.7	-2.9	105.4	R39 E43	R39-R41 PolarHBondContact O-N 3.21Å; R41-E43 PolarHBondContact O-N 2.89Å
42	K	72	Confident	75.7	Confident	189 Å²	189	141.3 Å²	141.3	82%	0.822	65%	0.648	S	S	*	*			trans	-64.1	120.9	171	-68.5	-170.8	176.1	-170.9	0	106.5	N40 S44	N40-K42 PolarHBondContact O-N 2.86Å; K42-S44 PolarHBondContact O-N 2.9Å
43	E	82.3	Confident	78.1	Confident	190 Å²	190	134.4 Å²	134.4	89%	0.888	61%	0.612	S	S	*	*			trans	-59.8	127.5	170.1	-65.8	-177.3	160.5	0	0	107.8	R41	R41-E43 PolarHBondContact O-N 2.89Å
44	S	93.2	Very high	80.6	Confident	53 Å²	53	132.7 Å²	132.7	37%	0.371	59%	0.592	S	S	.	*			trans	-151.4	146.2	-176.4	171.9	0	0	0	0	109.2	K42 A46 N71	K42-S44 PolarHBondContact O-N 2.9Å; S44-A46 PolarHBondContact O-N 3.1Å; S44-A46 WeakPolarHBondContact OG-CB 3.3Å; S44-A46 PolarHBondContact OG-N 3.27Å; S44-N71 WeakPolarHBondContact CA-OD1 3.3Å; S44-N71 PolarHBondContact OG-OD1 2.96Å
45	F	95.2	Very high	83	Confident	72 Å²	72	133.9 Å²	133.9	32%	0.316	59%	0.593	S	S	.	*	S	Bend	trans	-78.5	1	175.8	-63.6	-78.5	0	0	0	113.5	S47 Y48 I49 N71 V74	F45-S47 VanDerWaalsContact C-N 3.29Å; F45-S47 PolarHBondContact O-N 2.99Å; F45-S47 VanDerWaalsContact O-N 3.15Å; F45-Y48 HydrophobicContact CD1-CD2 4.3Å; F45-Y48 PolarHBondContact O-N 3.33Å; F45-I49 HydrophobicContact CB-CD1 3.83Å; F45-I49 HydrophobicContact CB-CG1 4.17Å; F45-I49 WeakPolarHBondContact O-CG1 3.38Å; F45-I49 PolarHBondContact O-N 3.28Å; F45-N71 PolarHBondContact N-OD1 3.44Å; F45-V74 HydrophobicContact CB-CG1 4.38Å; F45-V74 HydrophobicContact CD1-CG1 3.99Å; F45-V74 HydrophobicContact CD2-CB 4.01Å; F45-V74 HydrophobicContact CD2-CG1 3.53Å; F45-V74 HydrophobicContact CE1-CG1 4.12Å; F45-V74 HydrophobicContact CE2-CB 4.47Å; F45-V74 HydrophobicContact CE2-CG1 3.68Å; F45-V74 HydrophobicContact CG-CB 4.3Å; F45-V74 HydrophobicContact CG-CG1 3.69Å; F45-V74 HydrophobicContact CZ-CG1 3.97Å
46	A	95.5	Very high	85.1	Confident	31 Å²	31	128.7 Å²	128.7	26%	0.256	58%	0.579	S	S	.	*	H	α-helix	trans	-53.8	-40.1	-170.8	0	0	0	0	0	114.3	S44 Y50 M67	S44-A46 PolarHBondContact O-N 3.1Å; S44-A46 WeakPolarHBondContact OG-CB 3.3Å; S44-A46 PolarHBondContact OG-N 3.27Å; A46-Y50 WeakPolarHBondContact O-CB 3.29Å; A46-Y50 PolarHBondContact O-N 3.27Å; A46-M67 HydrophobicContact CB-CE 4.49Å; A46-M67 HydrophobicContact CB-CG 3.88Å; A46-M67 HydrophobicContact CB-SD 3.8Å
47	S	95.4	Very high	87	Confident	58 Å²	58	123.6 Å²	123.6	41%	0.406	56%	0.564	S	S	.	*	H	α-helix	trans	-66.1	-38.4	177.7	57.1	0	0	0	0	112.5	F45 K51	F45-S47 VanDerWaalsContact C-N 3.29Å; F45-S47 PolarHBondContact O-N 2.99Å; F45-S47 VanDerWaalsContact O-N 3.15Å; S47-K51 WeakPolarHBondContact O-CG 3.28Å; S47-K51 PolarHBondContact O-N 2.96Å; S47-K51 VanDerWaalsContact O-N 3.13Å
48	Y	97.3	Very high	88.8	Confident	143 Å²	143	118.1 Å²	118.1	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-74.4	-41.7	178.7	-53.5	-75.9	0	0	0	111.4	F45 Y50 K51 V52	F45-Y48 HydrophobicContact CD1-CD2 4.3Å; F45-Y48 PolarHBondContact O-N 3.33Å; Y48-Y50 VanDerWaalsContact C-N 3.27Å; Y48-Y50 PolarHBondContact O-N 3.2Å; Y48-K51 WeakPolarHBondContact O-CB 3.47Å; Y48-K51 PolarHBondContact O-N 3.43Å; Y48-K51 VanDerWaalsContact O-N 3.12Å; Y48-V52 WeakPolarHBondContact O-CG2 3.32Å; Y48-V52 PolarHBondContact O-N 3.01Å
49	I	97.7	Very high	90.6	Very high	22 Å²	22	114.3 Å²	114.3	11%	0.113	55%	0.546	C	S	.	.	H	α-helix	trans	-56.5	-45.2	174.4	-66.1	162.1	0	0	0	109.8	F45 V52 L53 M67 M70 N71 V74	F45-I49 HydrophobicContact CB-CD1 3.83Å; F45-I49 HydrophobicContact CB-CG1 4.17Å; F45-I49 WeakPolarHBondContact O-CG1 3.38Å; F45-I49 PolarHBondContact O-N 3.28Å; I49-V52 PolarHBondContact O-N 3.21Å; I49-L53 WeakPolarHBondContact O-CB 3.25Å; I49-L53 PolarHBondContact O-N 3.33Å; I49-M67 HydrophobicContact CB-SD 3.91Å; I49-M67 HydrophobicContact CD1-SD 4.13Å; I49-M67 HydrophobicContact CG2-CE 4.29Å; I49-M67 HydrophobicContact CG2-SD 3.75Å; I49-M70 HydrophobicContact CD1-CB 3.89Å; I49-M70 HydrophobicContact CG2-CB 4.08Å; I49-M70 HydrophobicContact CG2-CG 4.46Å; I49-N71 HydrophobicContact CD1-CB 4.34Å; I49-V74 HydrophobicContact CD1-CG2 4.42Å
50	Y	97.6	Very high	92.3	Very high	110 Å²	110	106.4 Å²	106.4	43%	0.431	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.9	-170.5	-101	0	0	0	113	A46 Y48 L53 K54 I62	A46-Y50 WeakPolarHBondContact O-CB 3.29Å; A46-Y50 PolarHBondContact O-N 3.27Å; Y48-Y50 VanDerWaalsContact C-N 3.27Å; Y48-Y50 PolarHBondContact O-N 3.2Å; Y50-L53 PolarHBondContact O-N 3.25Å; Y50-K54 HydrophobicContact CD1-CG 4.29Å; Y50-K54 HydrophobicContact CE1-CG 3.9Å; Y50-K54 VanDerWaalsContact CZ-CE 3.44Å; Y50-K54 WeakPolarHBondContact O-CG 3.46Å; Y50-K54 PolarHBondContact O-N 2.96Å; Y50-K54 WeakPolarHBondContact OH-CE 3.41Å; Y50-I62 HydrophobicContact CD2-CG2 4.32Å
51	K	98	Very high	93.9	Very high	132 Å²	132	101.9 Å²	101.9	57%	0.574	51%	0.514	S	S	*	.	H	α-helix	trans	-60.8	-45.5	175.5	-75.7	175.8	-179.9	-174.7	0	111.8	S47 Y48 K54 Q55	S47-K51 WeakPolarHBondContact O-CG 3.28Å; S47-K51 PolarHBondContact O-N 2.96Å; S47-K51 VanDerWaalsContact O-N 3.13Å; Y48-K51 WeakPolarHBondContact O-CB 3.47Å; Y48-K51 PolarHBondContact O-N 3.43Å; Y48-K51 VanDerWaalsContact O-N 3.12Å; K51-K54 PolarHBondContact O-N 2.88Å; K51-Q55 WeakPolarHBondContact O-CG 3.23Å; K51-Q55 PolarHBondContact O-N 3.23Å; K51-Q55 VanDerWaalsContact O-N 3.15Å
52	V	98	Very high	95.3	Very high	83 Å²	83	93.8 Å²	93.8	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-65.7	-41.9	177.5	175.6	0	0	0	0	110.8	Y48 I49 K54 Q55 V56	Y48-V52 WeakPolarHBondContact O-CG2 3.32Å; Y48-V52 PolarHBondContact O-N 3.01Å; I49-V52 PolarHBondContact O-N 3.21Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 PolarHBondContact O-N 2.55Å; V52-Q55 WeakPolarHBondContact O-CB 3.45Å; V52-Q55 PolarHBondContact O-N 3.19Å; V52-Q55 VanDerWaalsContact O-N 3.1Å; V52-V56 PolarHBondContact O-N 2.78Å
53	L	98.2	Very high	96.5	Very high	35 Å²	35	88.1 Å²	88.1	18%	0.183	47%	0.471	C	S	.	.	H	α-helix	trans	-55.4	-46.3	175	175.2	64	0	0	0	111.4	I49 Y50 Q55 V56 H57 I62	I49-L53 WeakPolarHBondContact O-CB 3.25Å; I49-L53 PolarHBondContact O-N 3.33Å; Y50-L53 PolarHBondContact O-N 3.25Å; L53-Q55 VanDerWaalsContact C-N 3.28Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-V56 PolarHBondContact O-N 3.49Å; L53-H57 HydrophobicContact CD1-CB 4.38Å; L53-H57 CarbonylContact O-C 3.52Å; L53-H57 PolarHBondContact O-N 2.77Å; L53-I62 HydrophobicContact CD2-CB 3.83Å; L53-I62 HydrophobicContact CD2-CG2 3.79Å
54	K	98.3	Very high	97.2	Very high	64 Å²	64	84.3 Å²	84.3	28%	0.278	47%	0.465	S	S	.	.	H	α-helix	trans	-71.6	-20.1	180	-67.3	-54.6	-170.3	-176.8	0	114.2	Y50 K51 V52 P58 T60	Y50-K54 HydrophobicContact CD1-CG 4.29Å; Y50-K54 HydrophobicContact CE1-CG 3.9Å; Y50-K54 VanDerWaalsContact CZ-CE 3.44Å; Y50-K54 WeakPolarHBondContact O-CG 3.46Å; Y50-K54 PolarHBondContact O-N 2.96Å; Y50-K54 WeakPolarHBondContact OH-CE 3.41Å; K51-K54 PolarHBondContact O-N 2.88Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 PolarHBondContact O-N 2.55Å; K54-P58 WeakPolarHBondContact CD-O 3.42Å; K54-P58 PolarHBondContact NZ-O 2.9Å; K54-T60 PolarHBondContact NZ-O 3.42Å
55	Q	98.1	Very high	97.4	Very high	158 Å²	158	89.5 Å²	89.5	74%	0.738	48%	0.481	S	S	*	.	H	α-helix	trans	-73.7	-31.2	171.2	-73.2	173.9	-19.3	0	0	112.5	K51 V52 L53	K51-Q55 WeakPolarHBondContact O-CG 3.23Å; K51-Q55 PolarHBondContact O-N 3.23Å; K51-Q55 VanDerWaalsContact O-N 3.15Å; V52-Q55 WeakPolarHBondContact O-CB 3.45Å; V52-Q55 PolarHBondContact O-N 3.19Å; V52-Q55 VanDerWaalsContact O-N 3.1Å; L53-Q55 VanDerWaalsContact C-N 3.28Å; L53-Q55 PolarHBondContact O-N 3.33Å
56	V	98.1	Very high	97.6	Very high	96 Å²	96	87.6 Å²	87.6	58%	0.582	48%	0.479	S	S	*	.	H	α-helix	trans	-96.8	-39.7	-177.8	-174.8	0	0	0	0	112.1	V52 L53	V52-V56 PolarHBondContact O-N 2.78Å; L53-V56 PolarHBondContact O-N 3.49Å
57	H	98	Very high	97.7	Very high	106 Å²	106	87.6 Å²	87.6	49%	0.491	47%	0.474	S	S	.	.			trans	-137.4	85.5	-177.8	-62.4	-59.8	0	0	0	111.5	L53 D59 T60	L53-H57 HydrophobicContact CD1-CB 4.38Å; L53-H57 CarbonylContact O-C 3.52Å; L53-H57 PolarHBondContact O-N 2.77Å; H57-D59 VanDerWaalsContact C-N 3.28Å; H57-D59 PolarHBondContact O-N 2.87Å; H57-T60 PolarHBondContact O-N 2.88Å
58	P	97.8	Very high	97.7	Very high	81 Å²	81	88.3 Å²	88.3	53%	0.526	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.2	-176.8	-26.8	35.4	0	0	0	114.3	K54	K54-P58 WeakPolarHBondContact CD-O 3.42Å; K54-P58 PolarHBondContact NZ-O 2.9Å
59	D	97.8	Very high	97.8	Very high	162 Å²	162	86.5 Å²	86.5	87%	0.866	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.2	-173.8	-54.6	-44.6	0	0	0	113.9	H57	H57-D59 VanDerWaalsContact C-N 3.28Å; H57-D59 PolarHBondContact O-N 2.87Å
60	T	97.6	Very high	97.8	Very high	69 Å²	69	89.1 Å²	89.1	42%	0.423	49%	0.49	S	S	.	.			trans	-96.7	138.3	-178.4	-61.2	0	0	0	0	111.8	K54 H57	K54-T60 PolarHBondContact NZ-O 3.42Å; H57-T60 PolarHBondContact O-N 2.88Å
61	G	97.3	Very high	97.7	Very high	59 Å²	59	85.2 Å²	85.2	61%	0.608	48%	0.477	S	S	*	.			trans	-100.1	169.7	171.3	0	0	0	0	0	112.5
62	I	98.1	Very high	97.7	Very high	56 Å²	56	82.3 Å²	82.3	29%	0.287	47%	0.474	S	S	.	.			trans	-132.8	134.8	175.1	-173.8	170.7	0	0	0	109.7	Y50 L53 A66 M67 M70	Y50-I62 HydrophobicContact CD2-CG2 4.32Å; L53-I62 HydrophobicContact CD2-CB 3.83Å; L53-I62 HydrophobicContact CD2-CG2 3.79Å; I62-A66 HydrophobicContact CD1-CB 4.07Å; I62-A66 HydrophobicContact CG1-CB 3.62Å; I62-M67 HydrophobicContact CG2-CE 3.54Å; I62-M70 HydrophobicContact CD1-CG 4.14Å
63	S	97.9	Very high	97.7	Very high	70 Å²	70	83.9 Å²	83.9	49%	0.49	47%	0.474	S	S	.	.			trans	-72.8	159.8	178.4	72.8	0	0	0	0	111.7	K65 A66 M67	S63-K65 VanDerWaalsContact C-N 3.3Å; S63-K65 PolarHBondContact O-N 3.08Å; S63-A66 PolarHBondContact O-N 3.38Å; S63-A66 WeakPolarHBondContact OG-CB 3.23Å; S63-A66 PolarHBondContact OG-N 3.17Å; S63-M67 WeakPolarHBondContact O-CB 3.27Å; S63-M67 PolarHBondContact O-N 3.47Å
64	S	96.6	Very high	97.7	Very high	110 Å²	110	84.4 Å²	84.4	77%	0.769	48%	0.478	S	S	*	.	H	α-helix	trans	-60.8	-38.3	176.7	56.4	0	0	0	0	112.7	M67 S68	S64-M67 PolarHBondContact O-N 2.91Å; S64-S68 PolarHBondContact O-N 2.87Å
65	K	97.7	Very high	97.6	Very high	162 Å²	162	83.9 Å²	83.9	70%	0.704	48%	0.479	S	S	*	.	H	α-helix	trans	-64.2	-46.9	175.7	-172.5	174.9	-178.3	178.6	0	111.3	S63 M67 S68 I69	S63-K65 VanDerWaalsContact C-N 3.3Å; S63-K65 PolarHBondContact O-N 3.08Å; K65-M67 VanDerWaalsContact C-N 3.34Å; K65-M67 PolarHBondContact O-N 3.43Å; K65-S68 WeakPolarHBondContact O-CB 3.31Å; K65-S68 PolarHBondContact O-N 2.88Å; K65-I69 HydrophobicContact CG-CD1 4.48Å; K65-I69 WeakPolarHBondContact O-CG1 3.22Å; K65-I69 PolarHBondContact O-N 3.34Å; K65-I69 VanDerWaalsContact O-N 3.08Å
66	A	98.2	Very high	97.6	Very high	32 Å²	32	79.4 Å²	79.4	26%	0.264	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-39.4	176.4	0	0	0	0	0	111.8	I62 S63 S68 I69 M70	I62-A66 HydrophobicContact CD1-CB 4.07Å; I62-A66 HydrophobicContact CG1-CB 3.62Å; S63-A66 PolarHBondContact O-N 3.38Å; S63-A66 WeakPolarHBondContact OG-CB 3.23Å; S63-A66 PolarHBondContact OG-N 3.17Å; A66-S68 VanDerWaalsContact C-N 3.31Å; A66-S68 PolarHBondContact O-N 2.85Å; A66-I69 PolarHBondContact O-N 2.76Å; A66-M70 WeakPolarHBondContact O-CG 3.31Å; A66-M70 PolarHBondContact O-N 2.89Å
67	M	97.3	Very high	97.6	Very high	32 Å²	32	76.8 Å²	76.8	16%	0.158	44%	0.444	C	S	.	.	H	α-helix	trans	-59.7	-41.1	174.1	-174.2	62.5	79.6	0	0	112	A46 I49 I62 S63 S64 K65 M70 N71	A46-M67 HydrophobicContact CB-CE 4.49Å; A46-M67 HydrophobicContact CB-CG 3.88Å; A46-M67 HydrophobicContact CB-SD 3.8Å; I49-M67 HydrophobicContact CB-SD 3.91Å; I49-M67 HydrophobicContact CD1-SD 4.13Å; I49-M67 HydrophobicContact CG2-CE 4.29Å; I49-M67 HydrophobicContact CG2-SD 3.75Å; I62-M67 HydrophobicContact CG2-CE 3.54Å; S63-M67 WeakPolarHBondContact O-CB 3.27Å; S63-M67 PolarHBondContact O-N 3.47Å; S64-M67 PolarHBondContact O-N 2.91Å; K65-M67 VanDerWaalsContact C-N 3.34Å; K65-M67 PolarHBondContact O-N 3.43Å; M67-M70 PolarHBondContact O-N 3.36Å; M67-N71 WeakPolarHBondContact O-CB 3.49Å; M67-N71 PolarHBondContact O-N 3.12Å
68	S	96.7	Very high	97.6	Very high	72 Å²	72	78 Å²	78	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-42.8	175.4	-168.6	0	0	0	0	112	S64 K65 A66 N71 S72	S64-S68 PolarHBondContact O-N 2.87Å; K65-S68 WeakPolarHBondContact O-CB 3.31Å; K65-S68 PolarHBondContact O-N 2.88Å; A66-S68 VanDerWaalsContact C-N 3.31Å; A66-S68 PolarHBondContact O-N 2.85Å; S68-N71 PolarHBondContact O-N 3.34Å; S68-S72 PolarHBondContact O-N 2.85Å; S68-S72 PolarHBondContact O-OG 2.98Å
69	I	98	Very high	97.6	Very high	106 Å²	106	80.1 Å²	80.1	54%	0.544	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-47.1	176.5	-66	166.8	0	0	0	110.1	K65 A66 N71 S72 F73	K65-I69 HydrophobicContact CG-CD1 4.48Å; K65-I69 WeakPolarHBondContact O-CG1 3.22Å; K65-I69 PolarHBondContact O-N 3.34Å; K65-I69 VanDerWaalsContact O-N 3.08Å; A66-I69 PolarHBondContact O-N 2.76Å; I69-N71 VanDerWaalsContact C-N 3.34Å; I69-N71 PolarHBondContact O-N 3.34Å; I69-S72 PolarHBondContact O-N 3.01Å; I69-F73 WeakPolarHBondContact O-CB 3.38Å; I69-F73 PolarHBondContact O-N 3.36Å
70	M	98.1	Very high	97.6	Very high	76 Å²	76	79 Å²	79	37%	0.374	43%	0.434	S	S	.	.	H	α-helix	trans	-63.1	-39.4	178.3	-70.2	-58.1	-62.8	0	0	112.4	I49 I62 A66 M67 F73 V74	I49-M70 HydrophobicContact CD1-CB 3.89Å; I49-M70 HydrophobicContact CG2-CB 4.08Å; I49-M70 HydrophobicContact CG2-CG 4.46Å; I62-M70 HydrophobicContact CD1-CG 4.14Å; A66-M70 WeakPolarHBondContact O-CG 3.31Å; A66-M70 PolarHBondContact O-N 2.89Å; M67-M70 PolarHBondContact O-N 3.36Å; M70-F73 HydrophobicContact CE-CD1 4.36Å; M70-F73 PolarHBondContact O-N 2.81Å; M70-V74 WeakPolarHBondContact O-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.15Å
71	N	96.9	Very high	97.6	Very high	29 Å²	29	77.2 Å²	77.2	16%	0.155	42%	0.422	C	S	.	.	H	α-helix	trans	-62.8	-44.1	175.1	-176.6	88.3	0	0	0	111.4	S44 F45 I49 M67 S68 I69 V74 N75	S44-N71 WeakPolarHBondContact CA-OD1 3.3Å; S44-N71 PolarHBondContact OG-OD1 2.96Å; F45-N71 PolarHBondContact N-OD1 3.44Å; I49-N71 HydrophobicContact CD1-CB 4.34Å; M67-N71 WeakPolarHBondContact O-CB 3.49Å; M67-N71 PolarHBondContact O-N 3.12Å; S68-N71 PolarHBondContact O-N 3.34Å; I69-N71 VanDerWaalsContact C-N 3.34Å; I69-N71 PolarHBondContact O-N 3.34Å; N71-V74 PolarHBondContact O-N 2.9Å; N71-N75 PolarHBondContact ND2-ND2 3.1Å; N71-N75 PolarHBondContact O-N 3.23Å; N71-N75 PolarHBondContact O-ND2 2.74Å
72	S	97.3	Very high	97.7	Very high	71 Å²	71	76.1 Å²	76.1	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-39.3	174.7	-67.6	0	0	0	0	112.2	S68 I69 V74 N75 D76	S68-S72 PolarHBondContact O-N 2.85Å; S68-S72 PolarHBondContact O-OG 2.98Å; I69-S72 PolarHBondContact O-N 3.01Å; S72-V74 PolarHBondContact O-N 3.45Å; S72-N75 PolarHBondContact O-N 3.34Å; S72-D76 PolarHBondContact O-N 3.34Å
73	F	97.9	Very high	97.7	Very high	116 Å²	116	76.4 Å²	76.4	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-59.4	-45.3	175.6	174	-112.2	0	0	0	112.2	I69 M70 N75 D76 V77	I69-F73 WeakPolarHBondContact O-CB 3.38Å; I69-F73 PolarHBondContact O-N 3.36Å; M70-F73 HydrophobicContact CE-CD1 4.36Å; M70-F73 PolarHBondContact O-N 2.81Å; F73-N75 VanDerWaalsContact C-N 3.31Å; F73-N75 PolarHBondContact O-N 3.17Å; F73-D76 PolarHBondContact O-N 3.01Å; F73-V77 HydrophobicContact CD2-CG2 4.08Å; F73-V77 HydrophobicContact CE1-CG2 4.4Å; F73-V77 HydrophobicContact CE2-CG2 3.61Å; F73-V77 HydrophobicContact CZ-CG2 3.79Å; F73-V77 WeakPolarHBondContact O-CG2 3.37Å; F73-V77 PolarHBondContact O-N 2.97Å
74	V	97.8	Very high	97.7	Very high	45 Å²	45	75 Å²	75	27%	0.273	40%	0.404	S	S	.	.	H	α-helix	trans	-61.3	-41.5	176.4	174.5	0	0	0	0	111.3	F45 I49 M70 N71 S72 F78	F45-V74 HydrophobicContact CB-CG1 4.38Å; F45-V74 HydrophobicContact CD1-CG1 3.99Å; F45-V74 HydrophobicContact CD2-CB 4.01Å; F45-V74 HydrophobicContact CD2-CG1 3.53Å; F45-V74 HydrophobicContact CE1-CG1 4.12Å; F45-V74 HydrophobicContact CE2-CB 4.47Å; F45-V74 HydrophobicContact CE2-CG1 3.68Å; F45-V74 HydrophobicContact CG-CB 4.3Å; F45-V74 HydrophobicContact CG-CG1 3.69Å; F45-V74 HydrophobicContact CZ-CG1 3.97Å; I49-V74 HydrophobicContact CD1-CG2 4.42Å; M70-V74 WeakPolarHBondContact O-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.15Å; N71-V74 PolarHBondContact O-N 2.9Å; S72-V74 PolarHBondContact O-N 3.45Å; V74-F78 VanDerWaalsContact O-CB 3.23Å; V74-F78 WeakPolarHBondContact O-CB 3.45Å; V74-F78 PolarHBondContact O-N 3.41Å
75	N	97.2	Very high	97.8	Very high	54 Å²	54	69.8 Å²	69.8	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-45.9	177.5	-73.4	-65.1	0	0	0	112.1	N71 S72 F73 V77 F78 E79	N71-N75 PolarHBondContact ND2-ND2 3.1Å; N71-N75 PolarHBondContact O-N 3.23Å; N71-N75 PolarHBondContact O-ND2 2.74Å; S72-N75 PolarHBondContact O-N 3.34Å; F73-N75 VanDerWaalsContact C-N 3.31Å; F73-N75 PolarHBondContact O-N 3.17Å; N75-V77 PolarHBondContact O-N 3.35Å; N75-F78 PolarHBondContact O-N 3.16Å; N75-E79 WeakPolarHBondContact O-CB 3.41Å; N75-E79 WeakPolarHBondContact O-CG 3.41Å; N75-E79 PolarHBondContact O-N 2.91Å
76	D	97.5	Very high	97.8	Very high	64 Å²	64	64 Å²	64	34%	0.342	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-46.8	178.7	-178	25.1	0	0	0	111.5	S72 F73 F78 E79 R80	S72-D76 PolarHBondContact O-N 3.34Å; F73-D76 PolarHBondContact O-N 3.01Å; D76-F78 PolarHBondContact O-N 3.24Å; D76-E79 PolarHBondContact O-N 3.43Å; D76-R80 VanDerWaalsContact CG-NH2 3.32Å; D76-R80 WeakPolarHBondContact O-CB 3.42Å; D76-R80 VanDerWaalsContact O-CG 3.24Å; D76-R80 WeakPolarHBondContact O-CG 3.24Å; D76-R80 PolarHBondContact O-N 3.43Å; D76-R80 IonicContact OD1-CZ 2.74Å; D76-R80 IonicContact OD1-NE 2.74Å; D76-R80 PolarHBondContact OD1-NE 3.31Å; D76-R80 IonicContact OD1-NH2 2.73Å; D76-R80 PolarHBondContact OD1-NH2 3.2Å; D76-R80 VanDerWaalsContact OD1-NH2 3.1Å; D76-R80 IonicContact OD2-CZ 3.33Å; D76-R80 IonicContact OD2-NE 3.53Å; D76-R80 IonicContact OD2-NH2 3.1Å; D76-R80 PolarHBondContact OD2-NH2 3.47Å
77	V	97.5	Very high	97.8	Very high	41 Å²	41	69.7 Å²	69.7	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-41.2	176.7	175.3	0	0	0	0	111.7	F73 N75 R80 I81	F73-V77 HydrophobicContact CD2-CG2 4.08Å; F73-V77 HydrophobicContact CE1-CG2 4.4Å; F73-V77 HydrophobicContact CE2-CG2 3.61Å; F73-V77 HydrophobicContact CZ-CG2 3.79Å; F73-V77 WeakPolarHBondContact O-CG2 3.37Å; F73-V77 PolarHBondContact O-N 2.97Å; N75-V77 PolarHBondContact O-N 3.35Å; V77-R80 PolarHBondContact O-N 3.04Å; V77-I81 HydrophobicContact CG1-CD1 3.69Å; V77-I81 HydrophobicContact CG1-CG1 4.4Å; V77-I81 VanDerWaalsContact O-CG1 3.31Å; V77-I81 WeakPolarHBondContact O-CG1 3.47Å; V77-I81 PolarHBondContact O-N 3.45Å
78	F	97.8	Very high	97.8	Very high	130 Å²	130	69.4 Å²	69.4	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-61.2	-49.4	177.7	177.4	-90.2	0	0	0	111.6	V74 N75 D76 R80 I81 A82	V74-F78 VanDerWaalsContact O-CB 3.23Å; V74-F78 WeakPolarHBondContact O-CB 3.45Å; V74-F78 PolarHBondContact O-N 3.41Å; N75-F78 PolarHBondContact O-N 3.16Å; D76-F78 PolarHBondContact O-N 3.24Å; F78-R80 PolarHBondContact O-N 2.86Å; F78-I81 PolarHBondContact O-N 3.49Å; F78-A82 HydrophobicContact CE1-CB 4.46Å; F78-A82 VanDerWaalsContact O-CB 3.27Å; F78-A82 WeakPolarHBondContact O-CB 3.33Å; F78-A82 PolarHBondContact O-N 3.36Å
79	E	97.9	Very high	97.9	Very high	126 Å²	126	66.1 Å²	66.1	59%	0.589	34%	0.338	S	S	*	.	H	α-helix	trans	-62	-43.2	179.6	-74.3	178.6	-171	0	0	111.5	N75 D76 A82 A83	N75-E79 WeakPolarHBondContact O-CB 3.41Å; N75-E79 WeakPolarHBondContact O-CG 3.41Å; N75-E79 PolarHBondContact O-N 2.91Å; D76-E79 PolarHBondContact O-N 3.43Å; E79-A82 PolarHBondContact O-N 3.22Å; E79-A83 VanDerWaalsContact O-CB 3.23Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.02Å
80	R	98.2	Very high	97.8	Very high	139 Å²	139	67.5 Å²	67.5	53%	0.525	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-48.1	175.9	-71.7	178.1	-162.9	-159.7	7.9	112.2	D76 V77 F78 E84 L109	D76-R80 VanDerWaalsContact CG-NH2 3.32Å; D76-R80 WeakPolarHBondContact O-CB 3.42Å; D76-R80 VanDerWaalsContact O-CG 3.24Å; D76-R80 WeakPolarHBondContact O-CG 3.24Å; D76-R80 PolarHBondContact O-N 3.43Å; D76-R80 IonicContact OD1-CZ 2.74Å; D76-R80 IonicContact OD1-NE 2.74Å; D76-R80 PolarHBondContact OD1-NE 3.31Å; D76-R80 IonicContact OD1-NH2 2.73Å; D76-R80 PolarHBondContact OD1-NH2 3.2Å; D76-R80 VanDerWaalsContact OD1-NH2 3.1Å; D76-R80 IonicContact OD2-CZ 3.33Å; D76-R80 IonicContact OD2-NE 3.53Å; D76-R80 IonicContact OD2-NH2 3.1Å; D76-R80 PolarHBondContact OD2-NH2 3.47Å; V77-R80 PolarHBondContact O-N 3.04Å; F78-R80 PolarHBondContact O-N 2.86Å; R80-E84 PolarHBondContact O-N 3.48Å; R80-E84 VanDerWaalsContact O-N 3.08Å; R80-L109 HydrophobicContact CB-CD1 4.02Å; R80-L109 HydrophobicContact CB-CD2 4.29Å; R80-L109 WeakPolarHBondContact O-CD1 3.48Å
81	I	98.3	Very high	97.7	Very high	31 Å²	31	69.2 Å²	69.2	16%	0.159	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-45.2	179.4	-67.3	168.6	0	0	0	110.6	V77 F78 E84 A85 I102 A105 V106 L109	V77-I81 HydrophobicContact CG1-CD1 3.69Å; V77-I81 HydrophobicContact CG1-CG1 4.4Å; V77-I81 VanDerWaalsContact O-CG1 3.31Å; V77-I81 WeakPolarHBondContact O-CG1 3.47Å; V77-I81 PolarHBondContact O-N 3.45Å; F78-I81 PolarHBondContact O-N 3.49Å; I81-E84 PolarHBondContact O-N 3.48Å; I81-A85 VanDerWaalsContact O-CB 3.22Å; I81-A85 WeakPolarHBondContact O-CB 3.41Å; I81-A85 PolarHBondContact O-N 3.02Å; I81-I102 HydrophobicContact CG2-CD1 4.33Å; I81-I102 HydrophobicContact CG2-CG2 4.16Å; I81-A105 HydrophobicContact CG2-CB 4.28Å; I81-V106 HydrophobicContact CD1-CG2 4.03Å; I81-V106 HydrophobicContact CG1-CG2 4.39Å; I81-V106 HydrophobicContact CG2-CG2 4.38Å; I81-L109 HydrophobicContact CB-CD1 4.2Å; I81-L109 HydrophobicContact CG1-CD1 3.66Å
82	A	98.2	Very high	97.7	Very high	36 Å²	36	72.2 Å²	72.2	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-42.1	-179.6	0	0	0	0	0	111.9	F78 E79 S86	F78-A82 HydrophobicContact CE1-CB 4.46Å; F78-A82 VanDerWaalsContact O-CB 3.27Å; F78-A82 WeakPolarHBondContact O-CB 3.33Å; F78-A82 PolarHBondContact O-N 3.36Å; E79-A82 PolarHBondContact O-N 3.22Å; A82-S86 VanDerWaalsContact O-CB 3.3Å; A82-S86 WeakPolarHBondContact O-CB 3.45Å; A82-S86 PolarHBondContact O-N 3.23Å
83	A	98.3	Very high	97.6	Very high	63 Å²	63	77.6 Å²	77.6	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-47.8	176.9	0	0	0	0	0	111.6	E79 S86 R87	E79-A83 VanDerWaalsContact O-CB 3.23Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.02Å; A83-S86 PolarHBondContact O-N 3.34Å; A83-R87 PolarHBondContact O-N 3.12Å
84	E	98.2	Very high	97.5	Very high	41 Å²	41	80 Å²	80	19%	0.192	39%	0.391	C	S	.	.	H	α-helix	trans	-68.2	-39.1	179.9	-168.8	60.1	-155.8	0	0	111.7	R80 I81 S86 R87 L88 A105 L108 L109	R80-E84 PolarHBondContact O-N 3.48Å; R80-E84 VanDerWaalsContact O-N 3.08Å; I81-E84 PolarHBondContact O-N 3.48Å; E84-S86 VanDerWaalsContact C-N 3.35Å; E84-S86 PolarHBondContact O-N 2.91Å; E84-R87 WeakPolarHBondContact O-CB 3.31Å; E84-R87 PolarHBondContact O-N 3.38Å; E84-L88 HydrophobicContact CG-CD1 4.49Å; E84-L88 VanDerWaalsContact O-CG 3.28Å; E84-L88 WeakPolarHBondContact O-CG 3.4Å; E84-L88 PolarHBondContact O-N 2.95Å; E84-A105 HydrophobicContact CB-CB 3.89Å; E84-A105 HydrophobicContact CG-CB 4Å; E84-L108 HydrophobicContact CG-CD1 4.05Å; E84-L108 WeakPolarHBondContact OE1-CD1 3.49Å; E84-L109 HydrophobicContact CB-CD1 4.2Å
85	A	98.3	Very high	97.4	Very high	0 Å²	0	84 Å²	84	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-64.9	-38.2	175.2	0	0	0	0	0	112.5	I81 L88 A89 I97 E101 I102 A105	I81-A85 VanDerWaalsContact O-CB 3.22Å; I81-A85 WeakPolarHBondContact O-CB 3.41Å; I81-A85 PolarHBondContact O-N 3.02Å; A85-L88 PolarHBondContact O-N 3.31Å; A85-A89 PolarHBondContact O-N 3.15Å; A85-I97 HydrophobicContact CB-CG2 3.9Å; A85-E101 HydrophobicContact CB-CB 4.16Å; A85-I102 HydrophobicContact CB-CD1 3.66Å; A85-A105 HydrophobicContact CB-CB 4.1Å
86	S	98	Very high	97.4	Very high	41 Å²	41	86.1 Å²	86.1	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-44.5	173.2	-176.7	0	0	0	0	111.3	A82 A83 E84 L88 A89 Q90	A82-S86 VanDerWaalsContact O-CB 3.3Å; A82-S86 WeakPolarHBondContact O-CB 3.45Å; A82-S86 PolarHBondContact O-N 3.23Å; A83-S86 PolarHBondContact O-N 3.34Å; E84-S86 VanDerWaalsContact C-N 3.35Å; E84-S86 PolarHBondContact O-N 2.91Å; S86-L88 VanDerWaalsContact C-N 3.34Å; S86-L88 PolarHBondContact O-N 3.01Å; S86-A89 PolarHBondContact O-N 2.94Å; S86-Q90 VanDerWaalsContact O-CG 3.3Å; S86-Q90 WeakPolarHBondContact O-CG 3.45Å; S86-Q90 PolarHBondContact O-N 3.42Å; S86-Q90 PolarHBondContact OG-NE2 2.93Å; S86-Q90 VanDerWaalsContact OG-NE2 3.1Å
87	R	97.9	Very high	97.4	Very high	150 Å²	150	86.9 Å²	86.9	57%	0.566	44%	0.439	S	S	*	.	H	α-helix	trans	-58.7	-45.3	174.7	-171.5	-174.6	-175.7	-179.8	2.4	111.6	A83 E84 Q90 I91	A83-R87 PolarHBondContact O-N 3.12Å; E84-R87 WeakPolarHBondContact O-CB 3.31Å; E84-R87 PolarHBondContact O-N 3.38Å; R87-Q90 PolarHBondContact O-N 2.96Å; R87-I91 HydrophobicContact CG-CD1 4.01Å; R87-I91 VanDerWaalsContact O-CG1 3.29Å; R87-I91 WeakPolarHBondContact O-CG1 3.36Å; R87-I91 PolarHBondContact O-N 3.12Å
88	L	97.8	Very high	97.4	Very high	26 Å²	26	87.3 Å²	87.3	14%	0.136	44%	0.444	C	S	.	.	H	α-helix	trans	-63.3	-40.7	177.5	-71.4	168.5	0	0	0	112.6	E84 A85 S86 N92 E101 T104 A105 L108	E84-L88 HydrophobicContact CG-CD1 4.49Å; E84-L88 VanDerWaalsContact O-CG 3.28Å; E84-L88 WeakPolarHBondContact O-CG 3.4Å; E84-L88 PolarHBondContact O-N 2.95Å; A85-L88 PolarHBondContact O-N 3.31Å; S86-L88 VanDerWaalsContact C-N 3.34Å; S86-L88 PolarHBondContact O-N 3.01Å; L88-N92 PolarHBondContact O-N 3.05Å; L88-N92 PolarHBondContact O-ND2 3.11Å; L88-E101 HydrophobicContact CB-CB 4.34Å; L88-E101 HydrophobicContact CB-CG 4.05Å; L88-T104 HydrophobicContact CD1-CG2 3.77Å; L88-T104 HydrophobicContact CD2-CG2 4.26Å; L88-A105 HydrophobicContact CD1-CB 4.2Å; L88-L108 HydrophobicContact CD1-CD1 4.37Å; L88-L108 HydrophobicContact CD2-CD1 4.42Å
89	A	97.8	Very high	97.3	Very high	4 Å²	4	84.8 Å²	84.8	3%	0.033	44%	0.442	C	S	.	.	H	α-helix	trans	-63.2	-44	175.5	0	0	0	0	0	111.4	A85 S86 N92 Q93 R94 I97 E101	A85-A89 PolarHBondContact O-N 3.15Å; S86-A89 PolarHBondContact O-N 2.94Å; A89-N92 CarbonylContact O-C 3.51Å; A89-N92 PolarHBondContact O-N 3.04Å; A89-Q93 PolarHBondContact O-N 2.9Å; A89-R94 HydrophobicContact CB-CB 4.45Å; A89-R94 PolarHBondContact O-N 3.27Å; A89-I97 HydrophobicContact CB-CG1 3.92Å; A89-E101 HydrophobicContact CB-CG 4.2Å
90	Q	97.1	Very high	97.2	Very high	134 Å²	134	86.9 Å²	86.9	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-63.4	-44.5	178.3	-70.8	173.9	41.6	0	0	112.4	S86 R87 N92 Q93	S86-Q90 VanDerWaalsContact O-CG 3.3Å; S86-Q90 WeakPolarHBondContact O-CG 3.45Å; S86-Q90 PolarHBondContact O-N 3.42Å; S86-Q90 PolarHBondContact OG-NE2 2.93Å; S86-Q90 VanDerWaalsContact OG-NE2 3.1Å; R87-Q90 PolarHBondContact O-N 2.96Å; Q90-N92 PolarHBondContact O-N 3.39Å; Q90-Q93 PolarHBondContact O-N 3.13Å
91	I	96.7	Very high	97.2	Very high	112 Å²	112	80.9 Å²	80.9	57%	0.574	42%	0.423	S	S	*	.	H	α-helix	trans	-57.6	-38.4	176.4	-71.5	166.3	0	0	0	111	R87 Q93	R87-I91 HydrophobicContact CG-CD1 4.01Å; R87-I91 VanDerWaalsContact O-CG1 3.29Å; R87-I91 WeakPolarHBondContact O-CG1 3.36Å; R87-I91 PolarHBondContact O-N 3.12Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 3.46Å
92	N	95.8	Very high	97.2	Very high	92 Å²	92	82.6 Å²	82.6	49%	0.492	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	8.9	179.8	-66.4	-50.3	0	0	0	113.8	L88 A89 Q90 R94	L88-N92 PolarHBondContact O-N 3.05Å; L88-N92 PolarHBondContact O-ND2 3.11Å; A89-N92 CarbonylContact O-C 3.51Å; A89-N92 PolarHBondContact O-N 3.04Å; Q90-N92 PolarHBondContact O-N 3.39Å; N92-R94 HydrophobicContact CB-CG 4.14Å; N92-R94 PolarHBondContact O-N 2.91Å
93	Q	96.1	Very high	97.1	Very high	185 Å²	185	84.2 Å²	84.2	86%	0.864	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	34.9	-177.5	-56.3	178.6	4.9	0	0	113.4	A89 Q90 I91	A89-Q93 PolarHBondContact O-N 2.9Å; Q90-Q93 PolarHBondContact O-N 3.13Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 3.46Å
94	R	96	Very high	97.1	Very high	167 Å²	167	83.5 Å²	83.5	63%	0.63	42%	0.422	S	S	*	.			trans	-99	135	176.5	-65.6	-75.9	-177.9	127.3	-4.8	109.4	A89 N92 T96	A89-R94 HydrophobicContact CB-CB 4.45Å; A89-R94 PolarHBondContact O-N 3.27Å; N92-R94 HydrophobicContact CB-CG 4.14Å; N92-R94 PolarHBondContact O-N 2.91Å; R94-T96 VanDerWaalsContact C-N 3.33Å
95	S	95.5	Very high	97.1	Very high	128 Å²	128	81.5 Å²	81.5	90%	0.895	41%	0.413	S	S	*	.	S	Bend	trans	-83.5	-9.8	171.4	53	0	0	0	0	113.6
96	T	97.3	Very high	97.1	Very high	99 Å²	99	82.2 Å²	82.2	61%	0.607	42%	0.417	S	S	*	.	S	Bend	trans	-120.8	127.8	-176	-54.2	0	0	0	0	110.2	R94	R94-T96 VanDerWaalsContact C-N 3.33Å
97	I	97.5	Very high	97.1	Very high	80 Å²	80	87 Å²	87	41%	0.41	43%	0.429	S	S	.	.			trans	-82.7	114.9	169.8	-58.3	174.9	0	0	0	108	A85 A89 E101 I102	A85-I97 HydrophobicContact CB-CG2 3.9Å; A89-I97 HydrophobicContact CB-CG1 3.92Å; I97-E101 HydrophobicContact CG2-CB 3.98Å; I97-I102 HydrophobicContact CG2-CD1 3.94Å; I97-I102 HydrophobicContact CG2-CG1 4.18Å
98	S	96.7	Very high	97	Very high	49 Å²	49	84.9 Å²	84.9	34%	0.343	43%	0.428	S	S	.	.			trans	-96.7	174.6	175.9	79.9	0	0	0	0	111.6	R100 E101 I102	S98-R100 PolarHBondContact O-N 2.97Å; S98-R100 VanDerWaalsContact O-N 3.12Å; S98-R100 WeakPolarHBondContact OG-CB 3.35Å; S98-R100 PolarHBondContact OG-N 2.75Å; S98-E101 VanDerWaalsContact CA-OE2 3.32Å; S98-E101 WeakPolarHBondContact CA-OE2 3.29Å; S98-E101 VanDerWaalsContact CB-OE2 3.25Å; S98-E101 WeakPolarHBondContact CB-OE2 3.4Å; S98-E101 PolarHBondContact N-OE2 3.07Å; S98-E101 PolarHBondContact O-N 3.32Å; S98-E101 PolarHBondContact OG-OE2 2.94Å; S98-I102 PolarHBondContact O-N 3.39Å
99	S	96	Very high	97	Very high	77 Å²	77	86.7 Å²	86.7	54%	0.538	44%	0.438	S	S	.	.	H	α-helix	trans	-57.5	-23.9	172.5	54.5	0	0	0	0	112.9	Q103	S99-Q103 VanDerWaalsContact O-CB 3.31Å; S99-Q103 WeakPolarHBondContact O-CB 3.49Å; S99-Q103 PolarHBondContact O-N 3.49Å
100	R	96.1	Very high	97	Very high	171 Å²	171	88.6 Å²	88.6	65%	0.645	45%	0.447	S	S	*	.	H	α-helix	trans	-68.3	-43.6	177.9	-170.3	-179.1	-177.3	-152.5	0.9	112.5	S98 Q103 T104	S98-R100 PolarHBondContact O-N 2.97Å; S98-R100 VanDerWaalsContact O-N 3.12Å; S98-R100 WeakPolarHBondContact OG-CB 3.35Å; S98-R100 PolarHBondContact OG-N 2.75Å; R100-Q103 PolarHBondContact O-N 3.27Å; R100-T104 WeakPolarHBondContact O-CB 3.49Å; R100-T104 PolarHBondContact O-N 3.47Å; R100-T104 PolarHBondContact O-OG1 2.96Å
101	E	97.2	Very high	97	Very high	12 Å²	12	86.8 Å²	86.8	6%	0.056	45%	0.447	C	S	.	.	H	α-helix	trans	-65.5	-41.5	176	-73.2	71.4	-143.8	0	0	110.5	A85 L88 A89 I97 S98 T104 A105	A85-E101 HydrophobicContact CB-CB 4.16Å; L88-E101 HydrophobicContact CB-CB 4.34Å; L88-E101 HydrophobicContact CB-CG 4.05Å; A89-E101 HydrophobicContact CB-CG 4.2Å; I97-E101 HydrophobicContact CG2-CB 3.98Å; S98-E101 VanDerWaalsContact CA-OE2 3.32Å; S98-E101 WeakPolarHBondContact CA-OE2 3.29Å; S98-E101 VanDerWaalsContact CB-OE2 3.25Å; S98-E101 WeakPolarHBondContact CB-OE2 3.4Å; S98-E101 PolarHBondContact N-OE2 3.07Å; S98-E101 PolarHBondContact O-N 3.32Å; S98-E101 PolarHBondContact OG-OE2 2.94Å; E101-T104 PolarHBondContact O-N 3.37Å; E101-A105 VanDerWaalsContact O-CB 3.31Å; E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 3Å
102	I	98.2	Very high	96.9	Very high	68 Å²	68	83.9 Å²	83.9	35%	0.349	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-47.4	175.7	-57.8	-66.3	0	0	0	111	I81 A85 I97 S98 T104 A105 V106	I81-I102 HydrophobicContact CG2-CD1 4.33Å; I81-I102 HydrophobicContact CG2-CG2 4.16Å; A85-I102 HydrophobicContact CB-CD1 3.66Å; I97-I102 HydrophobicContact CG2-CD1 3.94Å; I97-I102 HydrophobicContact CG2-CG1 4.18Å; S98-I102 PolarHBondContact O-N 3.39Å; I102-T104 VanDerWaalsContact C-N 3.31Å; I102-T104 PolarHBondContact O-N 2.97Å; I102-A105 PolarHBondContact O-N 3.38Å; I102-V106 VanDerWaalsContact O-CG2 3.29Å; I102-V106 WeakPolarHBondContact O-CG2 3.39Å; I102-V106 PolarHBondContact O-N 3Å
103	Q	97.4	Very high	97	Very high	70 Å²	70	84.8 Å²	84.8	33%	0.327	45%	0.446	S	S	.	.	H	α-helix	trans	-60.3	-41.7	178.6	-173.9	-175.2	7	0	0	112	S99 R100 R107 I119	S99-Q103 VanDerWaalsContact O-CB 3.31Å; S99-Q103 WeakPolarHBondContact O-CB 3.49Å; S99-Q103 PolarHBondContact O-N 3.49Å; R100-Q103 PolarHBondContact O-N 3.27Å; Q103-R107 PolarHBondContact O-N 3.2Å; Q103-R107 VanDerWaalsContact O-N 3.13Å; Q103-I119 HydrophobicContact CG-CB 4.49Å; Q103-I119 HydrophobicContact CG-CD1 4.25Å; Q103-I119 HydrophobicContact CG-CG1 3.97Å; Q103-I119 HydrophobicContact CG-CG2 3.85Å; Q103-I119 VanDerWaalsContact NE2-CG2 3.26Å
104	T	97.6	Very high	97.1	Very high	47 Å²	47	80.5 Å²	80.5	29%	0.288	43%	0.429	S	S	.	.	H	α-helix	trans	-69.8	-42.4	178.9	-54.1	0	0	0	0	110.9	L88 R100 E101 I102 V106 R107 L108	L88-T104 HydrophobicContact CD1-CG2 3.77Å; L88-T104 HydrophobicContact CD2-CG2 4.26Å; R100-T104 WeakPolarHBondContact O-CB 3.49Å; R100-T104 PolarHBondContact O-N 3.47Å; R100-T104 PolarHBondContact O-OG1 2.96Å; E101-T104 PolarHBondContact O-N 3.37Å; I102-T104 VanDerWaalsContact C-N 3.31Å; I102-T104 PolarHBondContact O-N 2.97Å; T104-V106 VanDerWaalsContact C-N 3.33Å; T104-V106 PolarHBondContact O-N 2.91Å; T104-R107 WeakPolarHBondContact O-CB 3.35Å; T104-R107 PolarHBondContact O-N 3.11Å; T104-R107 VanDerWaalsContact O-N 3.11Å; T104-L108 HydrophobicContact CG2-CD1 4.43Å; T104-L108 WeakPolarHBondContact O-CG 3.43Å; T104-L108 PolarHBondContact O-N 2.74Å
105	A	98.1	Very high	97.2	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-57.4	-44.7	173.7	0	0	0	0	0	112	I81 E84 A85 L88 E101 I102 R107 L108 L109	I81-A105 HydrophobicContact CG2-CB 4.28Å; E84-A105 HydrophobicContact CB-CB 3.89Å; E84-A105 HydrophobicContact CG-CB 4Å; A85-A105 HydrophobicContact CB-CB 4.1Å; L88-A105 HydrophobicContact CD1-CB 4.2Å; E101-A105 VanDerWaalsContact O-CB 3.31Å; E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 3Å; I102-A105 PolarHBondContact O-N 3.38Å; A105-R107 VanDerWaalsContact C-N 3.3Å; A105-R107 PolarHBondContact O-N 3.4Å; A105-L108 PolarHBondContact O-N 3.22Å; A105-L108 VanDerWaalsContact O-N 3.12Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 WeakPolarHBondContact O-CG 3.43Å; A105-L109 PolarHBondContact O-N 3.28Å
106	V	98.2	Very high	97.3	Very high	15 Å²	15	73.1 Å²	73.1	9%	0.091	39%	0.387	C	S	.	.	H	α-helix	trans	-59.8	-40.7	175.5	170.3	0	0	0	0	111.6	I81 I102 T104 L108 L109 L110 A118 I119	I81-V106 HydrophobicContact CD1-CG2 4.03Å; I81-V106 HydrophobicContact CG1-CG2 4.39Å; I81-V106 HydrophobicContact CG2-CG2 4.38Å; I102-V106 VanDerWaalsContact O-CG2 3.29Å; I102-V106 WeakPolarHBondContact O-CG2 3.39Å; I102-V106 PolarHBondContact O-N 3Å; T104-V106 VanDerWaalsContact C-N 3.33Å; T104-V106 PolarHBondContact O-N 2.91Å; V106-L108 VanDerWaalsContact C-N 3.3Å; V106-L108 PolarHBondContact O-N 3.18Å; V106-L109 PolarHBondContact O-N 3.48Å; V106-L110 HydrophobicContact CG1-CD1 3.82Å; V106-L110 HydrophobicContact CG1-CG 4.37Å; V106-L110 WeakPolarHBondContact O-CB 3.44Å; V106-L110 PolarHBondContact O-N 3.08Å; V106-A118 HydrophobicContact CG1-CB 3.67Å; V106-I119 HydrophobicContact CG1-CG1 4.03Å
107	R	97.2	Very high	97.3	Very high	140 Å²	140	74 Å²	74	53%	0.528	38%	0.384	S	S	.	.	H	α-helix	trans	-64.4	-33.5	176.3	-171.3	175.6	-76.5	136.6	-5	112.7	Q103 T104 A105 I119	Q103-R107 PolarHBondContact O-N 3.2Å; Q103-R107 VanDerWaalsContact O-N 3.13Å; T104-R107 WeakPolarHBondContact O-CB 3.35Å; T104-R107 PolarHBondContact O-N 3.11Å; T104-R107 VanDerWaalsContact O-N 3.11Å; A105-R107 VanDerWaalsContact C-N 3.3Å; A105-R107 PolarHBondContact O-N 3.4Å; R107-I119 HydrophobicContact CB-CD1 4.04Å
108	L	97.6	Very high	97.3	Very high	106 Å²	106	71.9 Å²	71.9	56%	0.555	38%	0.379	S	S	*	.	H	α-helix	trans	-78.6	-34.5	179.1	-66.8	173.1	0	0	0	112.5	E84 L88 T104 A105 V106	E84-L108 HydrophobicContact CG-CD1 4.05Å; E84-L108 WeakPolarHBondContact OE1-CD1 3.49Å; L88-L108 HydrophobicContact CD1-CD1 4.37Å; L88-L108 HydrophobicContact CD2-CD1 4.42Å; T104-L108 HydrophobicContact CG2-CD1 4.43Å; T104-L108 WeakPolarHBondContact O-CG 3.43Å; T104-L108 PolarHBondContact O-N 2.74Å; A105-L108 PolarHBondContact O-N 3.22Å; A105-L108 VanDerWaalsContact O-N 3.12Å; V106-L108 VanDerWaalsContact C-N 3.3Å; V106-L108 PolarHBondContact O-N 3.18Å
109	L	97.7	Very high	97.4	Very high	65 Å²	65	70.7 Å²	70.7	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-89.1	-32.7	-173.4	-68.8	168.1	0	0	0	114.1	R80 I81 E84 A105 V106	R80-L109 HydrophobicContact CB-CD1 4.02Å; R80-L109 HydrophobicContact CB-CD2 4.29Å; R80-L109 WeakPolarHBondContact O-CD1 3.48Å; I81-L109 HydrophobicContact CB-CD1 4.2Å; I81-L109 HydrophobicContact CG1-CD1 3.66Å; E84-L109 HydrophobicContact CB-CD1 4.2Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 WeakPolarHBondContact O-CG 3.43Å; A105-L109 PolarHBondContact O-N 3.28Å; V106-L109 PolarHBondContact O-N 3.48Å
110	L	97	Very high	97.4	Very high	43 Å²	43	69.5 Å²	69.5	23%	0.225	36%	0.36	C	S	.	.	S	Bend	trans	-102.1	138	-174.9	-57.5	-176	0	0	0	111.6	V106 L114 S115 A118	V106-L110 HydrophobicContact CG1-CD1 3.82Å; V106-L110 HydrophobicContact CG1-CG 4.37Å; V106-L110 WeakPolarHBondContact O-CB 3.44Å; V106-L110 PolarHBondContact O-N 3.08Å; L110-L114 HydrophobicContact CB-CD2 4.35Å; L110-L114 HydrophobicContact CB-CG 4.27Å; L110-L114 HydrophobicContact CD1-CD2 4.38Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CD2-CD2 4.09Å; L110-S115 WeakPolarHBondContact O-CB 3.29Å; L110-A118 HydrophobicContact CD1-CB 3.76Å
111	P	97	Very high	97.5	Very high	96 Å²	96	66.5 Å²	66.5	62%	0.623	35%	0.353	S	S	*	.			trans	-77.2	145	-179.7	30.3	-35.5	0	0	0	112.9	E113 L114 S115	P111-E113 PolarHBondContact O-N 3.42Å; P111-L114 WeakPolarHBondContact O-CB 3.36Å; P111-L114 PolarHBondContact O-N 3.41Å; P111-L114 VanDerWaalsContact O-N 3.08Å; P111-S115 PolarHBondContact O-N 3.44Å
112	G	95.8	Very high	97.6	Very high	52 Å²	52	67.6 Å²	67.6	54%	0.536	37%	0.368	S	S	.	.	H	α-helix	trans	45.9	-125.6	159.8	0	0	0	0	0	115.5	L114 S115	G112-L114 VanDerWaalsContact C-N 3.27Å; G112-L114 PolarHBondContact O-N 3.44Å; G112-S115 PolarHBondContact O-N 3.36Å; G112-S115 PolarHBondContact O-OG 3.4Å
113	E	97.2	Very high	97.5	Very high	110 Å²	110	67.7 Å²	67.7	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-33	-178.7	-66.5	-54.4	119.3	0	0	113.2	P111 S115 K116 H117	P111-E113 PolarHBondContact O-N 3.42Å; E113-S115 VanDerWaalsContact C-N 3.27Å; E113-S115 PolarHBondContact O-N 3.45Å; E113-K116 WeakPolarHBondContact O-CB 3.44Å; E113-K116 PolarHBondContact O-N 2.95Å; E113-K116 VanDerWaalsContact O-N 3.08Å; E113-K116 WeakPolarHBondContact OE1-CE 3.18Å; E113-K116 IonicContact OE1-NZ 2.69Å; E113-K116 PolarHBondContact OE1-NZ 3.03Å; E113-K116 IonicContact OE2-NZ 3.97Å; E113-H117 PolarHBondContact O-CD2 2.87Å; E113-H117 PolarHBondContact O-N 3.41Å
114	L	97.5	Very high	97.5	Very high	96 Å²	96	69.9 Å²	69.9	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-39.6	179.1	-175.1	61.5	0	0	0	111.3	L110 P111 G112 K116 A118	L110-L114 HydrophobicContact CB-CD2 4.35Å; L110-L114 HydrophobicContact CB-CG 4.27Å; L110-L114 HydrophobicContact CD1-CD2 4.38Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CD2-CD2 4.09Å; P111-L114 WeakPolarHBondContact O-CB 3.36Å; P111-L114 PolarHBondContact O-N 3.41Å; P111-L114 VanDerWaalsContact O-N 3.08Å; G112-L114 VanDerWaalsContact C-N 3.27Å; G112-L114 PolarHBondContact O-N 3.44Å; L114-K116 PolarHBondContact O-N 3.13Å; L114-A118 VanDerWaalsContact O-CB 3.29Å; L114-A118 WeakPolarHBondContact O-CB 3.4Å; L114-A118 PolarHBondContact O-N 3.47Å
115	S	97.5	Very high	97.5	Very high	14 Å²	14	70.5 Å²	70.5	10%	0.098	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-41.3	174.9	76.1	0	0	0	0	112.2	L110 P111 G112 E113 A118 I119	L110-S115 WeakPolarHBondContact O-CB 3.29Å; P111-S115 PolarHBondContact O-N 3.44Å; G112-S115 PolarHBondContact O-N 3.36Å; G112-S115 PolarHBondContact O-OG 3.4Å; E113-S115 VanDerWaalsContact C-N 3.27Å; E113-S115 PolarHBondContact O-N 3.45Å; S115-A118 PolarHBondContact O-N 2.91Å; S115-I119 WeakPolarHBondContact O-CB 3.08Å; S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.03Å
116	K	97.6	Very high	97.4	Very high	126 Å²	126	73.9 Å²	73.9	55%	0.548	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-46.6	-179.7	-63.4	179.7	-175.4	168.6	0	111.1	E113 L114 S120	E113-K116 WeakPolarHBondContact O-CB 3.44Å; E113-K116 PolarHBondContact O-N 2.95Å; E113-K116 VanDerWaalsContact O-N 3.08Å; E113-K116 WeakPolarHBondContact OE1-CE 3.18Å; E113-K116 IonicContact OE1-NZ 2.69Å; E113-K116 PolarHBondContact OE1-NZ 3.03Å; E113-K116 IonicContact OE2-NZ 3.97Å; L114-K116 PolarHBondContact O-N 3.13Å; K116-S120 WeakPolarHBondContact O-CB 3.33Å; K116-S120 PolarHBondContact O-N 3.15Å
117	H	98	Very high	97.4	Very high	116 Å²	116	77 Å²	77	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-46.4	177.1	-70.4	-68.2	0	0	0	111.9	E113 I119 S120 E121	E113-H117 PolarHBondContact O-CD2 2.87Å; E113-H117 PolarHBondContact O-N 3.41Å; H117-I119 PolarHBondContact O-N 3.36Å; H117-S120 WeakPolarHBondContact O-CB 3.48Å; H117-S120 PolarHBondContact O-N 2.97Å; H117-E121 WeakPolarHBondContact O-CG 3.36Å; H117-E121 PolarHBondContact O-N 3.35Å
118	A	98	Very high	97.4	Very high	37 Å²	37	78 Å²	78	31%	0.306	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-42.7	179.1	0	0	0	0	0	112.4	V106 L110 L114 S115 G122	V106-A118 HydrophobicContact CG1-CB 3.67Å; L110-A118 HydrophobicContact CD1-CB 3.76Å; L114-A118 VanDerWaalsContact O-CB 3.29Å; L114-A118 WeakPolarHBondContact O-CB 3.4Å; L114-A118 PolarHBondContact O-N 3.47Å; S115-A118 PolarHBondContact O-N 2.91Å; A118-G122 PolarHBondContact O-N 2.93Å
119	I	97.8	Very high	97.3	Very high	23 Å²	23	82 Å²	82	12%	0.118	45%	0.446	C	S	.	.	H	α-helix	trans	-64.6	-41.4	175.7	-70.4	168.9	0	0	0	111.1	Q103 V106 R107 S115 H117 G122 T123	Q103-I119 HydrophobicContact CG-CB 4.49Å; Q103-I119 HydrophobicContact CG-CD1 4.25Å; Q103-I119 HydrophobicContact CG-CG1 3.97Å; Q103-I119 HydrophobicContact CG-CG2 3.85Å; Q103-I119 VanDerWaalsContact NE2-CG2 3.26Å; V106-I119 HydrophobicContact CG1-CG1 4.03Å; R107-I119 HydrophobicContact CB-CD1 4.04Å; S115-I119 WeakPolarHBondContact O-CB 3.08Å; S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 3.03Å; H117-I119 PolarHBondContact O-N 3.36Å; I119-G122 PolarHBondContact O-N 3.47Å; I119-T123 WeakPolarHBondContact O-CB 3.46Å; I119-T123 PolarHBondContact O-N 2.99Å; I119-T123 PolarHBondContact O-OG1 2.78Å
120	S	97.9	Very high	97.2	Very high	52 Å²	52	83.3 Å²	83.3	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-49.9	177.3	-174.3	0	0	0	0	111.5	K116 H117 G122 T123 K124	K116-S120 WeakPolarHBondContact O-CB 3.33Å; K116-S120 PolarHBondContact O-N 3.15Å; H117-S120 WeakPolarHBondContact O-CB 3.48Å; H117-S120 PolarHBondContact O-N 2.97Å; S120-G122 PolarHBondContact O-N 3.46Å; S120-T123 PolarHBondContact O-N 3.38Å; S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact O-N 2.97Å
121	E	98	Very high	97.1	Very high	108 Å²	108	85.7 Å²	85.7	51%	0.505	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-42.3	177.3	-67.5	-52.7	123.8	0	0	112.1	H117 T123 K124 A125	H117-E121 WeakPolarHBondContact O-CG 3.36Å; H117-E121 PolarHBondContact O-N 3.35Å; E121-T123 PolarHBondContact O-N 3.4Å; E121-K124 PolarHBondContact O-N 2.99Å; E121-K124 IonicContact OE1-NZ 3.39Å; E121-K124 PolarHBondContact OE1-NZ 3.34Å; E121-A125 WeakPolarHBondContact O-CB 3.36Å; E121-A125 PolarHBondContact O-N 3.08Å
122	G	97.7	Very high	97	Very high	36 Å²	36	85.4 Å²	85.4	37%	0.371	48%	0.483	S	S	.	.	H	α-helix	trans	-60.5	-43.8	175	0	0	0	0	0	112.6	A118 I119 S120 A125 V126	A118-G122 PolarHBondContact O-N 2.93Å; I119-G122 PolarHBondContact O-N 3.47Å; S120-G122 PolarHBondContact O-N 3.46Å; G122-A125 PolarHBondContact O-N 2.91Å; G122-V126 WeakPolarHBondContact O-CG2 3.36Å; G122-V126 PolarHBondContact O-N 3.17Å
123	T	97.4	Very high	95.8	Very high	69 Å²	69	94.4 Å²	94.4	42%	0.423	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-45.5	178.7	-54.6	0	0	0	0	111.1	I119 S120 E121 A125 V126 T127	I119-T123 WeakPolarHBondContact O-CB 3.46Å; I119-T123 PolarHBondContact O-N 2.99Å; I119-T123 PolarHBondContact O-OG1 2.78Å; S120-T123 PolarHBondContact O-N 3.38Å; E121-T123 PolarHBondContact O-N 3.4Å; T123-A125 VanDerWaalsContact C-N 3.3Å; T123-A125 PolarHBondContact O-N 3.08Å; T123-V126 PolarHBondContact O-N 3.24Å; T123-T127 PolarHBondContact O-N 3.34Å; T123-T127 PolarHBondContact O-OG1 3.08Å; T123-T127 VanDerWaalsContact O-OG1 3.11Å
124	K	97.4	Very high	95.7	Very high	117 Å²	117	93.7 Å²	93.7	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-56.4	-44.3	175	-70.9	173.3	-167.5	169.7	0	111.7	S120 E121 T127 K128	S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact O-N 2.97Å; E121-K124 PolarHBondContact O-N 2.99Å; E121-K124 IonicContact OE1-NZ 3.39Å; E121-K124 PolarHBondContact OE1-NZ 3.34Å; K124-T127 PolarHBondContact O-N 3.22Å; K124-K128 WeakPolarHBondContact O-CB 3.41Å; K124-K128 PolarHBondContact O-N 3.5Å
125	A	97.2	Very high	95.6	Very high	60 Å²	60	93.5 Å²	93.5	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-44.5	179.4	0	0	0	0	0	112.2	E121 G122 T123 K128 Y129	E121-A125 WeakPolarHBondContact O-CB 3.36Å; E121-A125 PolarHBondContact O-N 3.08Å; G122-A125 PolarHBondContact O-N 2.91Å; T123-A125 VanDerWaalsContact C-N 3.3Å; T123-A125 PolarHBondContact O-N 3.08Å; A125-K128 PolarHBondContact O-N 3.32Å; A125-Y129 WeakPolarHBondContact O-CB 3.37Å; A125-Y129 PolarHBondContact O-N 2.69Å
126	V	96.6	Very high	95.5	Very high	70 Å²	70	97.9 Å²	97.9	42%	0.424	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-44.9	177.7	173.6	0	0	0	0	111.4	G122 T123 Y129 T130	G122-V126 WeakPolarHBondContact O-CG2 3.36Å; G122-V126 PolarHBondContact O-N 3.17Å; T123-V126 PolarHBondContact O-N 3.24Å; V126-Y129 PolarHBondContact O-N 2.74Å; V126-T130 WeakPolarHBondContact O-CB 3.45Å; V126-T130 PolarHBondContact O-N 3.24Å; V126-T130 PolarHBondContact O-OG1 3.27Å
127	T	96.5	Very high	95.4	Very high	80 Å²	80	96.3 Å²	96.3	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-50.1	176.8	-59	0	0	0	0	110.9	T123 K124 Y129 T130 S131	T123-T127 PolarHBondContact O-N 3.34Å; T123-T127 PolarHBondContact O-OG1 3.08Å; T123-T127 VanDerWaalsContact O-OG1 3.11Å; K124-T127 PolarHBondContact O-N 3.22Å; T127-Y129 VanDerWaalsContact C-N 3.3Å; T127-Y129 PolarHBondContact O-N 3.1Å; T127-T130 PolarHBondContact O-N 2.73Å; T127-T130 VanDerWaalsContact O-N 3.15Å; T127-S131 PolarHBondContact O-N 2.69Å; T127-S131 PolarHBondContact O-OG 3.23Å
128	K	97.3	Very high	95.3	Very high	163 Å²	163	95.1 Å²	95.1	71%	0.709	53%	0.529	S	S	*	.	H	α-helix	trans	-58.4	-41.9	178.6	-177.8	176.6	179.6	177.6	0	112.1	K124 A125 A132	K124-K128 WeakPolarHBondContact O-CB 3.41Å; K124-K128 PolarHBondContact O-N 3.5Å; A125-K128 PolarHBondContact O-N 3.32Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 3.39Å
129	Y	96.7	Very high	95.1	Very high	188 Å²	188	98.9 Å²	98.9	74%	0.737	54%	0.544	S	S	*	.	H	α-helix	trans	-64.2	-42	177.8	-178.9	-98.3	0	0	0	111.9	A125 V126 T127 A132	A125-Y129 WeakPolarHBondContact O-CB 3.37Å; A125-Y129 PolarHBondContact O-N 2.69Å; V126-Y129 PolarHBondContact O-N 2.74Å; T127-Y129 VanDerWaalsContact C-N 3.3Å; T127-Y129 PolarHBondContact O-N 3.1Å; Y129-A132 PolarHBondContact O-N 2.77Å
130	T	95.6	Very high	94.9	Very high	93 Å²	93	104.4 Å²	104.4	57%	0.571	58%	0.575	S	S	*	*	H	α-helix	trans	-68.5	-36.3	-179.6	-52	0	0	0	0	111.9	V126 T127	V126-T130 WeakPolarHBondContact O-CB 3.45Å; V126-T130 PolarHBondContact O-N 3.24Å; V126-T130 PolarHBondContact O-OG1 3.27Å; T127-T130 PolarHBondContact O-N 2.73Å; T127-T130 VanDerWaalsContact O-N 3.15Å
131	S	95.5	Very high	94.7	Very high	94 Å²	94	108.4 Å²	108.4	66%	0.657	59%	0.591	S	S	*	*	H	α-helix	trans	-78.2	-16.1	177.9	-56.3	0	0	0	0	114.7	T127 K133	T127-S131 PolarHBondContact O-N 2.69Å; T127-S131 PolarHBondContact O-OG 3.23Å; S131-K133 VanDerWaalsContact C-N 3.29Å
132	A	93.2	Very high	94.4	Very high	89 Å²	89	108.4 Å²	108.4	74%	0.736	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-0.2	-179.1	0	0	0	0	0	113.5	K128 Y129	K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 3.39Å; Y129-A132 PolarHBondContact O-N 2.77Å
133	K	71.5	Confident	94.1	Very high	242 Å²	242	115 Å²	115	100%	1.052	62%	0.619	S	S	*	*			trans	-106.4	0	178	-171.9	176.9	-176.9	-179.5	0	110.2	S131	S131-K133 VanDerWaalsContact C-N 3.29Å

Retrieved 133 of 133 residues in 91.1 ms (Link to these results)

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