A0A087YLE4_POEFO Loading...

Tetratricopeptide repeat protein 1

AlphaFold DB , UniProt , Accession A0A087YLE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 aa.

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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	37.5	Very low	34.5	Very low	249 Å²	249	152.6 Å²	152.6	100%	1.227	78%	0.777	S	S	*	*				0	89.3	0	-72.6	169.6	167.1	0	0	107
2	S	38.9	Very low	34.6	Very low	119 Å²	119	151.2 Å²	151.2	83%	0.832	77%	0.765	S	S	*	*			trans	-133.8	90.5	-179.9	-171.5	0	0	0	0	106.8
3	T	40.7	Very low	34.8	Very low	135 Å²	135	151.8 Å²	151.8	83%	0.828	76%	0.763	S	S	*	*			trans	-128.5	72.8	175.4	49	0	0	0	0	106.3
4	R	39.9	Very low	34.8	Very low	237 Å²	237	150.6 Å²	150.6	89%	0.894	76%	0.76	S	S	*	*			trans	-135.5	4.3	172.1	-109.5	-176.2	179.4	-176.3	-1.9	113
5	G	31.3	Very low	35.2	Very low	56 Å²	56	144.4 Å²	144.4	58%	0.577	73%	0.726	S	S	*	*	S	Bend	trans	-99.6	-18.5	-177.4	0	0	0	0	0	115.2
6	A	33.8	Very low	35.6	Very low	69 Å²	69	141.3 Å²	141.3	57%	0.57	70%	0.704	S	S	*	*	S	Bend	trans	-91	-16.4	-171.9	0	0	0	0	0	114.6
7	Q	30.4	Very low	35.9	Very low	153 Å²	153	138.9 Å²	138.9	72%	0.715	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-7.7	-177.6	-71.3	-178.2	-42.5	0	0	113.9
8	R	32.8	Very low	36.3	Very low	210 Å²	210	132.2 Å²	132.2	79%	0.792	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-16.5	-177.4	-155.4	178.1	-171.8	-168.1	0.5	113.6
9	E	31.4	Very low	36.4	Very low	147 Å²	147	134.1 Å²	134.1	69%	0.687	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-28.4	-179.8	-68.6	178.3	174.3	0	0	111.7	E12	E9-E12 PolarHBondContact O-N 3.23Å
10	E	30.9	Very low	36.6	Very low	146 Å²	146	130.6 Å²	130.6	68%	0.682	65%	0.653	S	S	*	*	H	α-helix	trans	-76.3	-26.8	177.1	-69	-179.3	175.8	0	0	113.3	E12	E10-E12 VanDerWaalsContact C-N 3.27Å; E10-E12 PolarHBondContact O-N 3.29Å
11	E	32.3	Very low	36.5	Very low	158 Å²	158	129.4 Å²	129.4	74%	0.738	66%	0.657	S	S	*	*	H	α-helix	trans	-75.7	-13.4	175.1	-70.9	-177.6	174.7	0	0	113.3
12	E	35.6	Very low	36.4	Very low	135 Å²	135	121.9 Å²	121.9	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-86.9	-24.3	-177.6	-148	168.9	-153.5	0	0	112.4	E9 E10	E9-E12 PolarHBondContact O-N 3.23Å; E10-E12 VanDerWaalsContact C-N 3.27Å; E10-E12 PolarHBondContact O-N 3.29Å
13	E	36.4	Very low	36	Very low	160 Å²	160	124.2 Å²	124.2	75%	0.748	62%	0.618	S	S	*	*	H	α-helix	trans	-83.6	-33.6	179.7	-71.5	-164.3	158.9	0	0	113.5	F15	E13-F15 PolarHBondContact O-N 3.48Å
14	D	35.3	Very low	35.4	Very low	135 Å²	135	124.2 Å²	124.2	72%	0.722	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-7.2	179.4	-76.9	-15	0	0	0	113.7	Y16	D14-Y16 VanDerWaalsContact C-N 3.34Å
15	F	40.2	Very low	34.9	Very low	57 Å²	57	122.5 Å²	122.5	25%	0.25	62%	0.617	C	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-17.7	-179.8	-171.4	-99.8	0	0	0	113.1	E13 R141 V145	E13-F15 PolarHBondContact O-N 3.48Å; F15-R141 HydrophobicContact CZ-CB 4.1Å; F15-V145 HydrophobicContact CD1-CG2 3.96Å; F15-V145 HydrophobicContact CD2-CG2 4.44Å; F15-V145 HydrophobicContact CE1-CG2 3.22Å; F15-V145 HydrophobicContact CE2-CG2 3.74Å; F15-V145 HydrophobicContact CZ-CB 4.33Å; F15-V145 HydrophobicContact CZ-CG2 3.1Å
16	Y	42.6	Very low	34.8	Very low	95 Å²	95	128.7 Å²	128.7	37%	0.373	63%	0.631	S	S	.	*	S	Bend	trans	-119.5	7.6	-168.7	-77.7	-86.7	0	0	0	115.8	D14 C18 Y177 R179	D14-Y16 VanDerWaalsContact C-N 3.34Å; Y16-C18 PolarHBondContact O-N 3.36Å; Y16-C18 VanDerWaalsContact O-N 3.09Å; Y16-Y177 HydrophobicContact CD1-CE2 4.01Å; Y16-Y177 AromaticContact CE1-CD2 3.56Å; Y16-Y177 HydrophobicContact CE1-CD2 3.56Å; Y16-Y177 AromaticContact CE1-CE2 3.27Å; Y16-Y177 HydrophobicContact CE1-CE2 3.27Å; Y16-Y177 AromaticContact CZ-CD2 3.95Å; Y16-Y177 AromaticContact CZ-CE2 3.97Å; Y16-Y177 WeakPolarHBondContact OH-CD2 3.37Å; Y16-R179 PolarHBondContact O-NH1 2.87Å
17	D	40.5	Very low	34.8	Very low	100 Å²	100	134.8 Å²	134.8	54%	0.535	65%	0.647	S	S	.	*			trans	-90.7	84.6	-170.7	-156.7	17.4	0	0	0	114.6
18	C	43.1	Very low	34.9	Very low	19 Å²	19	136.7 Å²	136.7	13%	0.128	66%	0.656	C	S	.	*			trans	-140.3	89.3	146.5	-163.2	0	0	0	0	106.4	Y16 D20 K117	Y16-C18 PolarHBondContact O-N 3.36Å; Y16-C18 VanDerWaalsContact O-N 3.09Å; C18-D20 PolarHBondContact O-N 3.09Å; C18-K117 WeakPolarHBondContact SG-CE 3.43Å
19	Q	39	Very low	34.7	Very low	168 Å²	168	136.3 Å²	136.3	79%	0.785	66%	0.66	S	S	*	*			trans	-53.2	104.9	172.7	-72.8	177.2	-12	0	0	109.8	S21	Q19-S21 VanDerWaalsContact C-N 3.28Å; Q19-S21 PolarHBondContact O-N 3Å
20	D	39.7	Very low	34.7	Very low	64 Å²	64	138.8 Å²	138.8	34%	0.342	67%	0.672	S	S	.	*			trans	-75.3	87	168.3	-144.2	-18.5	0	0	0	106.1	C18 M22 R183	C18-D20 PolarHBondContact O-N 3.09Å; D20-M22 PolarHBondContact O-N 3.03Å; D20-M22 WeakPolarHBondContact OD1-CE 3.47Å; D20-R183 IonicContact OD2-CZ 3.18Å; D20-R183 IonicContact OD2-NH1 3.53Å; D20-R183 PolarHBondContact OD2-NH1 3.47Å; D20-R183 IonicContact OD2-NH2 3.62Å; D20-R183 PolarHBondContact OD2-NH2 3.48Å; D20-R183 VanDerWaalsContact OD2-NH2 3.08Å
21	S	34.5	Very low	34.7	Very low	106 Å²	106	141 Å²	141	74%	0.741	68%	0.682	S	S	*	*			trans	-76.9	69.3	175.5	50.7	0	0	0	0	109.6	Q19 E23	Q19-S21 VanDerWaalsContact C-N 3.28Å; Q19-S21 PolarHBondContact O-N 3Å; S21-E23 PolarHBondContact O-N 3.48Å; S21-E23 VanDerWaalsContact O-N 3.08Å
22	M	34.9	Very low	34.8	Very low	91 Å²	91	142.5 Å²	142.5	45%	0.448	69%	0.689	S	S	.	*			trans	-82.2	70.5	164.5	-65.3	-162.7	-169.4	0	0	109.2	D20 T24	D20-M22 PolarHBondContact O-N 3.03Å; D20-M22 WeakPolarHBondContact OD1-CE 3.47Å; M22-T24 PolarHBondContact O-N 3.45Å
23	E	30.8	Very low	34.5	Very low	167 Å²	167	144.1 Å²	144.1	78%	0.78	70%	0.701	S	S	*	*			trans	-73.3	111.6	155.1	-77.8	-177.8	163.2	0	0	107.8	S21 K25	S21-E23 PolarHBondContact O-N 3.48Å; S21-E23 VanDerWaalsContact O-N 3.08Å; E23-K25 PolarHBondContact O-N 3.47Å
24	T	27.5	Very low	34.4	Very low	135 Å²	135	141.7 Å²	141.7	83%	0.828	70%	0.699	S	S	*	*			trans	-56.5	106.1	169.8	50.6	0	0	0	0	109.9	M22	M22-T24 PolarHBondContact O-N 3.45Å
25	K	29.5	Very low	34.4	Very low	201 Å²	201	145.4 Å²	145.4	87%	0.874	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-84.2	119.5	168.8	-79.2	-175.4	177	177	0	109.8	E23	E23-K25 PolarHBondContact O-N 3.47Å
26	E	30.5	Very low	33.9	Very low	187 Å²	187	149 Å²	149	87%	0.874	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-60.3	147.9	169.7	-65.1	176	145.1	0	0	111.2
27	E	33.2	Very low	33.5	Very low	197 Å²	197	151.7 Å²	151.7	92%	0.921	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.2	130	-178.8	-63	171.1	146.5	0	0	112.8
28	E	31.4	Very low	33	Very low	193 Å²	193	158.8 Å²	158.8	90%	0.902	78%	0.776	S	S	*	*			trans	-126.4	109	160.7	-75.5	-164.4	153.3	0	0	111.5
29	K	29.3	Very low	32.5	Very low	202 Å²	202	165.6 Å²	165.6	88%	0.878	81%	0.81	S	S	*	*			trans	27	115.9	148.4	-79	175.3	173	174.6	0	119.9	E31	K29-E31 PolarHBondContact O-N 2.83Å
30	E	32	Very low	32.1	Very low	199 Å²	199	163.6 Å²	163.6	93%	0.93	81%	0.812	S	S	*	*			trans	-57.3	126.2	155.6	-72	179	139.5	0	0	111.7
31	E	31.2	Very low	31.5	Very low	193 Å²	193	163.3 Å²	163.3	90%	0.902	83%	0.825	S	S	*	*			trans	-111.6	112	163.9	-127.9	-176.2	-175.3	0	0	108.4	K29	K29-E31 PolarHBondContact O-N 2.83Å
32	E	33.9	Very low	31.3	Very low	188 Å²	188	170.2 Å²	170.2	88%	0.879	84%	0.835	S	S	*	*			trans	-66.7	137	175.4	-73.9	-173.2	134.8	0	0	112.1
33	L	30	Very low	30.9	Very low	170 Å²	170	168.9 Å²	168.9	89%	0.89	84%	0.844	S	S	*	*			trans	-141	153.6	156.2	-80.8	178.9	0	0	0	112.6
34	P	33.7	Very low	30.8	Very low	108 Å²	108	168.7 Å²	168.7	70%	0.701	85%	0.848	S	S	*	*			trans	-99.8	158.3	-140	36.9	-35.8	0	0	0	116
35	K	33.9	Very low	31	Very low	213 Å²	213	166.6 Å²	166.6	93%	0.926	85%	0.845	S	S	*	*			trans	-64.1	134.1	172.3	-63.7	174.7	-178.8	173.5	0	110.8
36	T	31.6	Very low	31.1	Very low	132 Å²	132	166 Å²	166	81%	0.81	85%	0.845	S	S	*	*			trans	-110.7	126.9	167	53.5	0	0	0	0	110.5
37	D	32.2	Very low	31.1	Very low	153 Å²	153	168.3 Å²	168.3	82%	0.818	85%	0.846	S	S	*	*			trans	-62.2	137.4	172.4	-71.3	-48.3	0	0	0	111.5
38	R	29.9	Very low	31.2	Very low	249 Å²	249	166.6 Å²	166.6	94%	0.94	84%	0.838	S	S	*	*			trans	-125.6	101	154.8	-82.4	-169.1	-178.6	178.9	2.9	110.3
39	I	33.1	Very low	31.2	Very low	162 Å²	162	167.5 Å²	167.5	83%	0.831	83%	0.833	S	S	*	*			trans	-74.4	128	157.3	-63.7	169.6	0	0	0	107.9
40	C	30.1	Very low	31.1	Very low	125 Å²	125	168.2 Å²	168.2	85%	0.845	83%	0.83	S	S	*	*			trans	-153.7	109.8	150.8	179.5	0	0	0	0	108.5
41	G	27.4	Very low	30.9	Very low	58 Å²	58	164.4 Å²	164.4	60%	0.598	82%	0.821	S	S	*	*			trans	-93.5	155.7	169	0	0	0	0	0	112.3
42	R	30.4	Very low	30.9	Very low	252 Å²	252	165 Å²	165	95%	0.951	82%	0.824	S	S	*	*			trans	173.8	127.1	153.8	-96.5	169.5	-155.4	-126.2	5.3	103.8
43	G	27.2	Very low	30.9	Very low	63 Å²	63	159.1 Å²	159.1	65%	0.649	81%	0.814	S	S	*	*			cis	118.2	112.6	35.5	0	0	0	0	0	107
44	D	29.5	Very low	31.5	Very low	162 Å²	162	161 Å²	161	87%	0.866	82%	0.818	S	S	*	*			trans	87.7	106.2	154.3	-51	-34.7	0	0	0	120.8
45	A	31.5	Very low	31.5	Very low	91 Å²	91	158.5 Å²	158.5	75%	0.752	81%	0.812	S	S	*	*				43.7	120.3	123.5	0	0	0	0	0	119.5
46	E	31.5	Very low	31.6	Very low	190 Å²	190	157.2 Å²	157.2	89%	0.888	81%	0.809	S	S	*	*				-158.3	135.3	115.3	-108.1	171.8	-165.8	0	0	111.3
47	R	30.3	Very low	32	Very low	234 Å²	234	159 Å²	159	88%	0.883	81%	0.808	S	S	*	*			trans	-101.5	108.1	179.7	172.9	-178.7	-169.1	-125.3	4.2	106.5
48	E	34.1	Very low	32.2	Very low	162 Å²	162	159 Å²	159	76%	0.757	80%	0.804	S	S	*	*			trans	-125.2	139.4	167.3	-81.2	-71.5	157.1	0	0	109.5
49	R	32.9	Very low	32.4	Very low	212 Å²	212	153.3 Å²	153.3	80%	0.8	79%	0.792	S	S	*	*			trans	-106.3	119.8	-160.9	137.1	-167.2	-99.4	-100.4	-6.8	107.2
50	W	25.7	Very low	32.6	Very low	216 Å²	216	154 Å²	154	82%	0.818	78%	0.784	S	S	*	*			trans	-154.9	107.7	163.9	-74	95.6	0	0	0	108.3
51	T	28.9	Very low	32.8	Very low	119 Å²	119	153.8 Å²	153.8	73%	0.73	77%	0.77	S	S	*	*				84.9	105.7	114.5	52.9	0	0	0	0	114.5
52	E	31.9	Very low	33.3	Very low	206 Å²	206	157.5 Å²	157.5	96%	0.963	77%	0.772	S	S	*	*			trans	-61.3	132.7	158.4	-64.7	169.8	159.9	0	0	109.1
53	G	34	Very low	33.6	Very low	65 Å²	65	152.4 Å²	152.4	67%	0.67	76%	0.759	S	S	*	*			trans	147.1	110.7	167.6	0	0	0	0	0	112.8
54	E	41.8	Very low	34.1	Very low	208 Å²	208	154.8 Å²	154.8	97%	0.972	75%	0.754	S	S	*	*			trans	75.8	100.6	155.1	-54.6	176.8	172.1	0	0	115.9
55	G	33.1	Very low	34.4	Very low	57 Å²	57	153.3 Å²	153.3	59%	0.588	74%	0.741	S	S	*	*			trans	-173	16.3	172.9	0	0	0	0	0	116.1	E57	G55-E57 VanDerWaalsContact C-N 3.32Å
56	E	37.2	Very low	34.7	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	74%	0.741	S	S	*	*	S	Bend	trans	-91.2	13.8	177.2	-71.1	-172.2	165.3	0	0	113.5
57	E	39.5	Very low	34.8	Very low	168 Å²	168	155.4 Å²	155.4	79%	0.785	73%	0.727	S	S	*	*	S	Bend	trans	-117.5	-7.5	178.3	-71.9	-171.5	161.6	0	0	114.9	G55	G55-E57 VanDerWaalsContact C-N 3.32Å
58	E	35.7	Very low	35	Very low	155 Å²	155	149.3 Å²	149.3	72%	0.724	72%	0.716	S	S	*	*	S	Bend	trans	-94	-26.9	177.7	-80.4	-177.3	159.8	0	0	113.9	R60 Q61	E58-R60 PolarHBondContact O-N 3.19Å; E58-Q61 PolarHBondContact O-N 3.23Å
59	D	34.8	Very low	35.2	Very low	128 Å²	128	147.7 Å²	147.7	68%	0.684	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-7.4	176.5	-96	-13	0	0	0	113.9
60	R	36.2	Very low	35.2	Very low	176 Å²	176	144.6 Å²	144.6	66%	0.664	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-19	174.9	-155.6	-179.9	-62.3	-153.6	2.1	112.8	E58 E64	E58-R60 PolarHBondContact O-N 3.19Å; R60-E64 WeakPolarHBondContact O-CB 3.38Å; R60-E64 WeakPolarHBondContact O-CG 3.43Å; R60-E64 PolarHBondContact O-N 3.32Å
61	Q	35.5	Very low	35.5	Very low	121 Å²	121	140.3 Å²	140.3	57%	0.565	70%	0.699	S	S	*	*	H	α-helix	trans	-84.8	-32.4	179.7	-70.2	-178.1	-0.7	0	0	112	E58 E64 E65	E58-Q61 PolarHBondContact O-N 3.23Å; Q61-E64 PolarHBondContact O-N 2.88Å; Q61-E65 WeakPolarHBondContact O-CB 3.42Å; Q61-E65 WeakPolarHBondContact O-CG 3.34Å; Q61-E65 PolarHBondContact O-N 3.39Å
62	E	36.9	Very low	35.7	Very low	137 Å²	137	138.1 Å²	138.1	64%	0.64	69%	0.689	S	S	*	*	H	α-helix	trans	-73.9	-29.1	176.2	-70.6	-166.8	169.1	0	0	113.4	R66	E62-R66 WeakPolarHBondContact O-CB 3.44Å; E62-R66 PolarHBondContact O-N 2.82Å; E62-R66 VanDerWaalsContact O-N 3.09Å
63	E	38.1	Very low	36	Very low	145 Å²	145	134.5 Å²	134.5	68%	0.678	68%	0.676	S	S	*	*	H	α-helix	trans	-75.7	-35.9	171.6	-77.7	-170.7	158	0	0	112.1	R66 Q67	E63-R66 PolarHBondContact O-N 2.91Å; E63-Q67 PolarHBondContact O-N 3.29Å
64	E	37.7	Very low	36.4	Very low	113 Å²	113	139.9 Å²	139.9	53%	0.528	68%	0.684	S	S	.	*	H	α-helix	trans	-69.9	-38.3	172.8	-76.3	179.6	-179.1	0	0	111.6	R60 Q61 Q67 V68	R60-E64 WeakPolarHBondContact O-CB 3.38Å; R60-E64 WeakPolarHBondContact O-CG 3.43Å; R60-E64 PolarHBondContact O-N 3.32Å; Q61-E64 PolarHBondContact O-N 2.88Å; E64-Q67 PolarHBondContact O-N 2.94Å; E64-V68 WeakPolarHBondContact O-CB 3.42Å; E64-V68 WeakPolarHBondContact O-CG2 3.12Å; E64-V68 PolarHBondContact O-N 2.91Å
65	E	35.8	Very low	36.4	Very low	131 Å²	131	138.3 Å²	138.3	61%	0.612	68%	0.677	S	S	*	*	H	α-helix	trans	-68.9	-32.4	173.5	-77.1	-172.4	167.5	0	0	112.9	Q61 V68 L69	Q61-E65 WeakPolarHBondContact O-CB 3.42Å; Q61-E65 WeakPolarHBondContact O-CG 3.34Å; Q61-E65 PolarHBondContact O-N 3.39Å; E65-V68 PolarHBondContact O-N 3.35Å; E65-L69 WeakPolarHBondContact O-CB 3.4Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 2.75Å
66	R	37.3	Very low	36.6	Very low	196 Å²	196	141.3 Å²	141.3	74%	0.74	68%	0.683	S	S	*	*	H	α-helix	trans	-69.6	-30.9	170	-89.8	-176.6	-176.7	-95.8	-1.1	113.2	E62 E63	E62-R66 WeakPolarHBondContact O-CB 3.44Å; E62-R66 PolarHBondContact O-N 2.82Å; E62-R66 VanDerWaalsContact O-N 3.09Å; E63-R66 PolarHBondContact O-N 2.91Å
67	Q	34.3	Very low	37.1	Very low	129 Å²	129	136.9 Å²	136.9	60%	0.603	67%	0.673	S	S	*	*	H	α-helix	trans	-74.6	-37.4	172.4	-111.7	174.3	-10.3	0	0	111.8	E63 E64 L69 Q70 D71	E63-Q67 PolarHBondContact O-N 3.29Å; E64-Q67 PolarHBondContact O-N 2.94Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 2.79Å; Q67-Q70 PolarHBondContact O-N 3.26Å; Q67-D71 PolarHBondContact O-N 3.48Å
68	V	34.5	Very low	37.6	Very low	106 Å²	106	134.6 Å²	134.6	64%	0.642	66%	0.657	S	S	*	*	H	α-helix	trans	-71.8	-25.3	178.2	174.6	0	0	0	0	112.3	E64 E65	E64-V68 WeakPolarHBondContact O-CB 3.42Å; E64-V68 WeakPolarHBondContact O-CG2 3.12Å; E64-V68 PolarHBondContact O-N 2.91Å; E65-V68 PolarHBondContact O-N 3.35Å
69	L	37	Very low	38.2	Very low	128 Å²	128	132.4 Å²	132.4	67%	0.67	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-5.8	172.5	-76.2	165.2	0	0	0	114.2	E65 Q67	E65-L69 WeakPolarHBondContact O-CB 3.4Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 2.75Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 2.79Å
70	Q	33.8	Very low	39.4	Very low	147 Å²	147	131.1 Å²	131.1	69%	0.687	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-20.8	-179.2	-150.3	164.5	15.3	0	0	112.8	Q67	Q67-Q70 PolarHBondContact O-N 3.26Å
71	D	30.9	Very low	40.7	Very low	125 Å²	125	124.2 Å²	124.2	67%	0.668	62%	0.619	S	S	*	*	S	Bend	trans	-92.1	-3.7	175	-75.8	-14	0	0	0	113.6	Q67	Q67-D71 PolarHBondContact O-N 3.48Å
72	S	33.7	Very low	42.6	Very low	73 Å²	73	122.9 Å²	122.9	51%	0.51	62%	0.616	S	S	.	*	S	Bend	trans	-86	-9.6	-179.7	63.1	0	0	0	0	115
73	D	38.1	Very low	44.6	Very low	131 Å²	131	117.7 Å²	117.7	70%	0.701	59%	0.592	S	S	*	*	S	Bend	trans	-97.5	-8.9	-178.8	-80.8	-16.5	0	0	0	113.6
74	E	42.4	Very low	46.8	Very low	178 Å²	178	115.2 Å²	115.2	83%	0.832	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8	178.3	-73.8	-163.6	160.8	0	0	114
75	E	42.5	Very low	49.1	Very low	175 Å²	175	117.3 Å²	117.3	82%	0.818	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	34.4	-177.1	-147.6	164.8	-165.5	0	0	112.8	S77	E75-S77 PolarHBondContact O-N 3.18Å
76	T	37.3	Very low	51.5	Low	119 Å²	119	111.5 Å²	111.5	73%	0.73	56%	0.561	S	S	*	*	S	Bend	trans	-63.5	93.2	142	18.9	0	0	0	0	106.4	R78	T76-R78 VanDerWaalsContact C-N 3.26Å; T76-R78 PolarHBondContact O-N 3.33Å
77	S	46.1	Very low	53.9	Low	94 Å²	94	107.5 Å²	107.5	66%	0.657	55%	0.546	S	S	*	.			trans	-44.5	101.2	164.2	63.9	0	0	0	0	107.1	E75 V79	E75-S77 PolarHBondContact O-N 3.18Å; S77-V79 VanDerWaalsContact C-N 3.31Å; S77-V79 VanDerWaalsContact O-CG2 3.32Å; S77-V79 WeakPolarHBondContact O-CG2 3.3Å; S77-V79 PolarHBondContact O-N 2.98Å
78	R	51.9	Low	56.5	Low	119 Å²	119	107.1 Å²	107.1	45%	0.449	54%	0.544	S	S	.	.			trans	-51.6	97.4	174.6	177.8	-177.6	-179.6	137.3	-2.1	106.1	T76 E80 E162	T76-R78 VanDerWaalsContact C-N 3.26Å; T76-R78 PolarHBondContact O-N 3.33Å; R78-E80 HydrophobicContact CG-CG 4.24Å; R78-E80 IonicContact NE-OE1 3.41Å; R78-E80 PolarHBondContact O-N 3.18Å; R78-E162 IonicContact CZ-OE1 3.29Å; R78-E162 IonicContact NH1-OE1 2.91Å; R78-E162 PolarHBondContact NH1-OE1 3.42Å; R78-E162 VanDerWaalsContact NH2-CG 3.34Å; R78-E162 IonicContact NH2-OE1 2.67Å
79	V	48	Very low	59	Low	109 Å²	109	104.1 Å²	104.1	66%	0.661	53%	0.526	S	S	*	.			trans	-71.9	82	179.8	-172.7	0	0	0	0	106.2	S77 F81	S77-V79 VanDerWaalsContact C-N 3.31Å; S77-V79 VanDerWaalsContact O-CG2 3.32Å; S77-V79 WeakPolarHBondContact O-CG2 3.3Å; S77-V79 PolarHBondContact O-N 2.98Å; V79-F81 PolarHBondContact O-N 3.24Å
80	E	58.8	Low	61.5	Low	101 Å²	101	98.8 Å²	98.8	47%	0.472	50%	0.498	S	S	.	.			trans	-61.3	126.3	158.9	-63.5	-153.9	159.8	0	0	106.2	R78 D82	R78-E80 HydrophobicContact CG-CG 4.24Å; R78-E80 IonicContact NE-OE1 3.41Å; R78-E80 PolarHBondContact O-N 3.18Å; E80-D82 PolarHBondContact O-N 3.44Å
81	F	63.3	Low	64.2	Low	32 Å²	32	99.5 Å²	99.5	14%	0.14	50%	0.499	C	S	.	.			trans	-60.9	107	174.4	-79.8	-75.4	0	0	0	108	V79 D83 L86 T129 L132 A133 R169	V79-F81 PolarHBondContact O-N 3.24Å; F81-D83 PolarHBondContact O-N 2.95Å; F81-D83 VanDerWaalsContact O-N 3.08Å; F81-L86 HydrophobicContact CB-CD1 3.99Å; F81-L86 HydrophobicContact CD1-CD1 3.64Å; F81-L86 HydrophobicContact CG-CD1 4.15Å; F81-T129 HydrophobicContact CE2-CG2 3.85Å; F81-T129 VanDerWaalsContact CE2-O 3.22Å; F81-T129 WeakPolarHBondContact CE2-O 3.46Å; F81-T129 HydrophobicContact CZ-CG2 4.22Å; F81-T129 WeakPolarHBondContact CZ-O 3.41Å; F81-L132 HydrophobicContact CD2-CB 3.85Å; F81-L132 HydrophobicContact CE2-CB 3.66Å; F81-L132 HydrophobicContact CZ-CB 4.32Å; F81-A133 HydrophobicContact CE1-CB 3.39Å; F81-A133 HydrophobicContact CZ-CB 3.44Å; F81-A133 VanDerWaalsContact CZ-CB 3.44Å; F81-R169 PolarHBondContact O-NH1 2.86Å
82	D	75.6	Confident	67	Low	93 Å²	93	101.9 Å²	101.9	50%	0.497	51%	0.506	S	S	.	.			trans	-67.2	100.9	165.6	-178.2	10.2	0	0	0	107.3	E80 D84 Y85 L86	E80-D82 PolarHBondContact O-N 3.44Å; D82-D84 PolarHBondContact O-N 3.29Å; D82-D84 VanDerWaalsContact OD1-CB 3.29Å; D82-D84 WeakPolarHBondContact OD1-CB 3.5Å; D82-D84 PolarHBondContact OD1-N 3.46Å; D82-Y85 WeakPolarHBondContact O-CB 3.42Å; D82-Y85 PolarHBondContact O-N 3.37Å; D82-Y85 VanDerWaalsContact O-N 3.17Å; D82-L86 PolarHBondContact O-N 2.93Å; D82-L86 VanDerWaalsContact O-N 3.15Å
83	D	79.7	Confident	69.7	Low	27 Å²	27	100.1 Å²	100.1	14%	0.144	49%	0.491	C	S	.	.	H	α-helix	trans	-59.9	-24.1	178	-75	-10.6	0	0	0	111	F81 R87 R143 R169	F81-D83 PolarHBondContact O-N 2.95Å; F81-D83 VanDerWaalsContact O-N 3.08Å; D83-R87 WeakPolarHBondContact O-CB 3.25Å; D83-R87 VanDerWaalsContact O-CG 3.27Å; D83-R87 WeakPolarHBondContact O-CG 3.5Å; D83-R87 PolarHBondContact O-N 3.02Å; D83-R143 IonicContact OD1-CZ 2.85Å; D83-R143 IonicContact OD1-NH2 3.38Å; D83-R143 PolarHBondContact OD1-NH2 3.12Å; D83-R169 IonicContact OD1-CZ 2.61Å; D83-R169 IonicContact OD1-NH2 3.33Å; D83-R169 PolarHBondContact OD1-NH2 3.41Å; D83-R169 IonicContact OD2-CZ 3.93Å; D83-R169 IonicContact OD2-NH2 3.91Å; D83-R169 PolarHBondContact OD2-NH2 3.46Å
84	D	84.9	Confident	72.5	Confident	93 Å²	93	97.5 Å²	97.5	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-68.6	-46.3	176.5	-65.8	-10.7	0	0	0	110.4	D82 L86 R87 E88	D82-D84 PolarHBondContact O-N 3.29Å; D82-D84 VanDerWaalsContact OD1-CB 3.29Å; D82-D84 WeakPolarHBondContact OD1-CB 3.5Å; D82-D84 PolarHBondContact OD1-N 3.46Å; D84-L86 PolarHBondContact O-N 2.91Å; D84-R87 PolarHBondContact O-N 2.82Å; D84-R87 IonicContact OD1-CZ 3.97Å; D84-R87 IonicContact OD1-NH1 2.74Å; D84-R87 PolarHBondContact OD1-NH1 3.42Å; D84-R87 IonicContact OD1-NH2 2.79Å; D84-E88 WeakPolarHBondContact O-CG 3.43Å; D84-E88 PolarHBondContact O-N 2.85Å
85	Y	85	Confident	74.9	Confident	158 Å²	158	95.4 Å²	95.4	62%	0.62	47%	0.47	S	S	*	.	H	α-helix	trans	-58.5	-46.9	173.5	177.7	-100.4	0	0	0	112.2	D82 R87 E88 V89	D82-Y85 WeakPolarHBondContact O-CB 3.42Å; D82-Y85 PolarHBondContact O-N 3.37Å; D82-Y85 VanDerWaalsContact O-N 3.17Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-R87 PolarHBondContact O-N 2.98Å; Y85-E88 PolarHBondContact O-N 3.4Å; Y85-E88 VanDerWaalsContact O-N 3.15Å; Y85-V89 HydrophobicContact CD1-CG2 4.28Å; Y85-V89 HydrophobicContact CE1-CG2 3.83Å; Y85-V89 HydrophobicContact CE2-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.32Å; Y85-V89 PolarHBondContact O-N 3.22Å
86	L	85.5	Confident	77.4	Confident	9 Å²	9	95.2 Å²	95.2	5%	0.047	47%	0.468	C	S	.	.	H	α-helix	trans	-60	-42.1	176.6	-90	148.6	0	0	0	112	F81 D82 D84 E88 V89 E90 A133 V137	F81-L86 HydrophobicContact CB-CD1 3.99Å; F81-L86 HydrophobicContact CD1-CD1 3.64Å; F81-L86 HydrophobicContact CG-CD1 4.15Å; D82-L86 PolarHBondContact O-N 2.93Å; D82-L86 VanDerWaalsContact O-N 3.15Å; D84-L86 PolarHBondContact O-N 2.91Å; L86-E88 VanDerWaalsContact C-N 3.29Å; L86-E88 PolarHBondContact O-N 3.48Å; L86-V89 PolarHBondContact O-N 3.35Å; L86-E90 WeakPolarHBondContact O-CB 3.49Å; L86-E90 VanDerWaalsContact O-CG 3.27Å; L86-E90 WeakPolarHBondContact O-CG 3.42Å; L86-E90 PolarHBondContact O-N 3.29Å; L86-A133 WeakPolarHBondContact CD2-O 3.41Å; L86-V137 HydrophobicContact CB-CG2 3.53Å; L86-V137 HydrophobicContact CG-CG2 4.48Å
87	R	88.6	Confident	80.1	Confident	112 Å²	112	93.8 Å²	93.8	42%	0.423	45%	0.454	S	S	.	.	H	α-helix	trans	-64.3	-32.8	175.9	-76.9	-174.8	-136.4	113.4	6	112.7	D83 D84 Y85 K91 V137	D83-R87 WeakPolarHBondContact O-CB 3.25Å; D83-R87 VanDerWaalsContact O-CG 3.27Å; D83-R87 WeakPolarHBondContact O-CG 3.5Å; D83-R87 PolarHBondContact O-N 3.02Å; D84-R87 PolarHBondContact O-N 2.82Å; D84-R87 IonicContact OD1-CZ 3.97Å; D84-R87 IonicContact OD1-NH1 2.74Å; D84-R87 PolarHBondContact OD1-NH1 3.42Å; D84-R87 IonicContact OD1-NH2 2.79Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-R87 PolarHBondContact O-N 2.98Å; R87-K91 WeakPolarHBondContact O-CG 3.43Å; R87-K91 PolarHBondContact O-N 2.72Å; R87-V137 HydrophobicContact CG-CB 3.93Å; R87-V137 HydrophobicContact CG-CG1 3.7Å; R87-V137 HydrophobicContact CG-CG2 4.09Å
88	E	89.4	Confident	82.3	Confident	120 Å²	120	91.2 Å²	91.2	56%	0.561	43%	0.431	S	S	*	.	H	α-helix	trans	-68.5	-47.2	174.6	-72.6	-174.6	170.5	0	0	111.7	D84 Y85 L86 E90 K91	D84-E88 WeakPolarHBondContact O-CG 3.43Å; D84-E88 PolarHBondContact O-N 2.85Å; Y85-E88 PolarHBondContact O-N 3.4Å; Y85-E88 VanDerWaalsContact O-N 3.15Å; L86-E88 VanDerWaalsContact C-N 3.29Å; L86-E88 PolarHBondContact O-N 3.48Å; E88-E90 VanDerWaalsContact C-N 3.27Å; E88-E90 PolarHBondContact O-N 3.43Å; E88-K91 WeakPolarHBondContact O-CB 3.45Å; E88-K91 PolarHBondContact O-N 3.46Å
89	V	86.4	Confident	84.4	Confident	44 Å²	44	89.1 Å²	89.1	27%	0.267	43%	0.426	S	S	.	.	H	α-helix	trans	-58.7	-41.4	175.2	174.9	0	0	0	0	111	Y85 L86 K91 E92 L93	Y85-V89 HydrophobicContact CD1-CG2 4.28Å; Y85-V89 HydrophobicContact CE1-CG2 3.83Å; Y85-V89 HydrophobicContact CE2-CG2 4.23Å; Y85-V89 WeakPolarHBondContact O-CG2 3.32Å; Y85-V89 PolarHBondContact O-N 3.22Å; L86-V89 PolarHBondContact O-N 3.35Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 2.81Å; V89-E92 PolarHBondContact O-N 3.33Å; V89-L93 HydrophobicContact CG1-CD1 4.44Å
90	E	89	Confident	86.7	Confident	16 Å²	16	86.5 Å²	86.5	8%	0.075	41%	0.412	C	S	.	.	H	α-helix	trans	-68	-19.4	-179.6	-77.3	172.8	-158.4	0	0	115	L86 E88 E92 L93 K98 P136 V137	L86-E90 WeakPolarHBondContact O-CB 3.49Å; L86-E90 VanDerWaalsContact O-CG 3.27Å; L86-E90 WeakPolarHBondContact O-CG 3.42Å; L86-E90 PolarHBondContact O-N 3.29Å; E88-E90 VanDerWaalsContact C-N 3.27Å; E88-E90 PolarHBondContact O-N 3.43Å; E90-E92 PolarHBondContact O-N 3.19Å; E90-L93 HydrophobicContact CG-CD1 4.43Å; E90-L93 PolarHBondContact O-N 3.09Å; E90-K98 WeakPolarHBondContact O-CE 3.16Å; E90-K98 PolarHBondContact O-NZ 3.03Å; E90-P136 WeakPolarHBondContact OE1-CA 2.83Å; E90-V137 VanDerWaalsContact CD-N 3.33Å; E90-V137 WeakPolarHBondContact OE1-CG2 3.49Å; E90-V137 PolarHBondContact OE1-N 3.22Å; E90-V137 PolarHBondContact OE2-N 3.49Å; E90-V137 VanDerWaalsContact OE2-N 3.13Å
91	K	90.4	Very high	88.4	Confident	161 Å²	161	84.4 Å²	84.4	70%	0.7	40%	0.4	S	S	*	.	H	α-helix	trans	-67.6	-28.2	175.1	-73.6	165.9	-169.8	166.3	0	112.2	R87 E88 V89	R87-K91 WeakPolarHBondContact O-CG 3.43Å; R87-K91 PolarHBondContact O-N 2.72Å; E88-K91 WeakPolarHBondContact O-CB 3.45Å; E88-K91 PolarHBondContact O-N 3.46Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 2.81Å
92	E	90.2	Very high	89.9	Confident	176 Å²	176	86.6 Å²	86.6	82%	0.822	41%	0.407	S	S	*	.	H	α-helix	trans	-88.4	-12.6	-178.2	-58.3	-171.3	163.1	0	0	112.5	V89 E90	V89-E92 PolarHBondContact O-N 3.33Å; E90-E92 PolarHBondContact O-N 3.19Å
93	L	91.3	Very high	91	Very high	36 Å²	36	87.5 Å²	87.5	19%	0.188	41%	0.409	C	S	.	.	S	Bend	trans	-87.8	138.3	-178.4	-64.6	174	0	0	0	112.1	V89 E90 E97 K98	V89-L93 HydrophobicContact CG1-CD1 4.44Å; E90-L93 HydrophobicContact CG-CD1 4.43Å; E90-L93 PolarHBondContact O-N 3.09Å; L93-E97 HydrophobicContact CB-CB 4.33Å; L93-E97 HydrophobicContact CD2-CB 4.09Å; L93-K98 HydrophobicContact CB-CG 4.01Å; L93-K98 WeakPolarHBondContact O-CE 3.22Å
94	T	95.3	Very high	91.8	Very high	75 Å²	75	90.7 Å²	90.7	46%	0.46	42%	0.423	S	S	.	.			trans	-68.9	159.8	167.7	63.2	0	0	0	0	111.3	E96 E97 K98	T94-E96 PolarHBondContact O-N 3.33Å; T94-E97 WeakPolarHBondContact CB-OE2 3.46Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.49Å; T94-E97 PolarHBondContact N-OE2 3.24Å; T94-E97 PolarHBondContact O-N 2.84Å; T94-E97 VanDerWaalsContact OG1-CD 3.28Å; T94-E97 VanDerWaalsContact OG1-CG 3.25Å; T94-E97 WeakPolarHBondContact OG1-CG 3.44Å; T94-E97 PolarHBondContact OG1-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 3.27Å; T94-K98 WeakPolarHBondContact O-CG 3.38Å; T94-K98 PolarHBondContact O-N 3.3Å
95	E	92.8	Very high	92.4	Very high	135 Å²	135	86.4 Å²	86.4	63%	0.631	40%	0.4	S	S	*	.	H	α-helix	trans	-62.5	-32.1	176.4	-63.1	-56.6	121.4	0	0	112.3	K98 E99	E95-K98 PolarHBondContact O-N 3.48Å; E95-K98 IonicContact OE1-NZ 2.79Å; E95-K98 PolarHBondContact OE1-NZ 3.01Å; E95-E99 WeakPolarHBondContact O-CB 3.31Å; E95-E99 PolarHBondContact O-N 3.5Å
96	E	95.1	Very high	93	Very high	170 Å²	170	82.2 Å²	82.2	79%	0.794	39%	0.388	S	S	*	.	H	α-helix	trans	-65.6	-41	174.4	-67.8	-178.8	-179.1	0	0	111.8	T94 E99 S100	T94-E96 PolarHBondContact O-N 3.33Å; E96-E99 PolarHBondContact O-N 3.2Å; E96-S100 WeakPolarHBondContact O-CB 3.35Å; E96-S100 PolarHBondContact O-N 3.02Å
97	E	94.8	Very high	93.6	Very high	90 Å²	90	84.5 Å²	84.5	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-68.5	-40	176	-71.3	163.4	138.4	0	0	111.9	L93 T94 E99 S100 R101	L93-E97 HydrophobicContact CB-CB 4.33Å; L93-E97 HydrophobicContact CD2-CB 4.09Å; T94-E97 WeakPolarHBondContact CB-OE2 3.46Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.49Å; T94-E97 PolarHBondContact N-OE2 3.24Å; T94-E97 PolarHBondContact O-N 2.84Å; T94-E97 VanDerWaalsContact OG1-CD 3.28Å; T94-E97 VanDerWaalsContact OG1-CG 3.25Å; T94-E97 WeakPolarHBondContact OG1-CG 3.44Å; T94-E97 PolarHBondContact OG1-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 3.27Å; E97-E99 VanDerWaalsContact C-N 3.35Å; E97-S100 WeakPolarHBondContact O-CB 3.49Å; E97-S100 PolarHBondContact O-N 3.48Å; E97-R101 VanDerWaalsContact O-CG 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.46Å; E97-R101 PolarHBondContact O-N 2.86Å
98	K	93.3	Very high	94	Very high	40 Å²	40	80.9 Å²	80.9	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-43.9	174.7	-70.2	175.7	-168.9	166.4	0	111.6	E90 L93 T94 E95 R101 R102 P136	E90-K98 WeakPolarHBondContact O-CE 3.16Å; E90-K98 PolarHBondContact O-NZ 3.03Å; L93-K98 HydrophobicContact CB-CG 4.01Å; L93-K98 WeakPolarHBondContact O-CE 3.22Å; T94-K98 WeakPolarHBondContact O-CG 3.38Å; T94-K98 PolarHBondContact O-N 3.3Å; E95-K98 PolarHBondContact O-N 3.48Å; E95-K98 IonicContact OE1-NZ 2.79Å; E95-K98 PolarHBondContact OE1-NZ 3.01Å; K98-R101 PolarHBondContact O-N 3.33Å; K98-R102 WeakPolarHBondContact O-CB 3.32Å; K98-R102 PolarHBondContact O-N 3.36Å; K98-P136 HydrophobicContact CB-CG 4.37Å
99	E	94.7	Very high	94.5	Very high	74 Å²	74	77 Å²	77	35%	0.346	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-40	176.5	-178	54.6	-149.2	0	0	111.3	E95 E96 E97 R101 R102 Q103	E95-E99 WeakPolarHBondContact O-CB 3.31Å; E95-E99 PolarHBondContact O-N 3.5Å; E96-E99 PolarHBondContact O-N 3.2Å; E97-E99 VanDerWaalsContact C-N 3.35Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 2.93Å; E99-R102 WeakPolarHBondContact O-CB 3.47Å; E99-R102 PolarHBondContact O-N 2.95Å; E99-R102 IonicContact OE1-NH1 3.46Å; E99-R102 IonicContact OE2-NH1 2.75Å; E99-R102 PolarHBondContact OE2-NH1 2.87Å; E99-Q103 WeakPolarHBondContact O-CG 3.35Å; E99-Q103 PolarHBondContact O-N 3.43Å; E99-Q103 PolarHBondContact OE1-NE2 3.19Å; E99-Q103 VanDerWaalsContact OE1-NE2 3.1Å
100	S	96.1	Very high	95	Very high	54 Å²	54	79.4 Å²	79.4	38%	0.378	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-44.3	172.9	-174.6	0	0	0	0	112.1	E96 E97 Q103 Q104	E96-S100 WeakPolarHBondContact O-CB 3.35Å; E96-S100 PolarHBondContact O-N 3.02Å; E97-S100 WeakPolarHBondContact O-CB 3.49Å; E97-S100 PolarHBondContact O-N 3.48Å; S100-Q103 PolarHBondContact O-N 3.3Å; S100-Q104 WeakPolarHBondContact O-CG 3.32Å; S100-Q104 PolarHBondContact O-N 3.17Å; S100-Q104 PolarHBondContact OG-NE2 3.41Å
101	R	95.2	Very high	95.4	Very high	57 Å²	57	82.2 Å²	82.2	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-64.6	-40.5	176	-69.3	174.2	68.6	99.7	0.1	112.2	E97 K98 E99 Q103 Q104 S105 A133 L134	E97-R101 VanDerWaalsContact O-CG 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.46Å; E97-R101 PolarHBondContact O-N 2.86Å; K98-R101 PolarHBondContact O-N 3.33Å; E99-R101 VanDerWaalsContact C-N 3.35Å; E99-R101 PolarHBondContact O-N 2.93Å; R101-Q103 VanDerWaalsContact C-N 3.34Å; R101-Q103 PolarHBondContact O-N 3.1Å; R101-Q104 PolarHBondContact O-N 2.74Å; R101-S105 WeakPolarHBondContact O-CB 3.38Å; R101-S105 PolarHBondContact O-N 3.02Å; R101-A133 PolarHBondContact NH2-O 2.89Å; R101-L134 WeakPolarHBondContact CB-O 3.19Å
102	R	95.3	Very high	95.8	Very high	78 Å²	78	74.6 Å²	74.6	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-45.1	174.1	-175.2	178.3	176.9	-125.5	0.2	111.2	K98 E99 Q104 S105 I106 P136 E142	K98-R102 WeakPolarHBondContact O-CB 3.32Å; K98-R102 PolarHBondContact O-N 3.36Å; E99-R102 WeakPolarHBondContact O-CB 3.47Å; E99-R102 PolarHBondContact O-N 2.95Å; E99-R102 IonicContact OE1-NH1 3.46Å; E99-R102 IonicContact OE2-NH1 2.75Å; E99-R102 PolarHBondContact OE2-NH1 2.87Å; R102-Q104 PolarHBondContact O-N 3.41Å; R102-S105 WeakPolarHBondContact O-CB 3.46Å; R102-S105 PolarHBondContact O-N 3.13Å; R102-I106 HydrophobicContact CG-CD1 4.27Å; R102-I106 WeakPolarHBondContact O-CG1 3.49Å; R102-I106 PolarHBondContact O-N 2.77Å; R102-P136 HydrophobicContact CB-CG 4.11Å; R102-E142 IonicContact CZ-OE1 3.78Å; R102-E142 IonicContact NE-OE1 3.42Å; R102-E142 PolarHBondContact NE-OE1 3.25Å; R102-E142 IonicContact NH2-OE1 3.9Å; R102-E142 PolarHBondContact NH2-OE1 3.14Å
103	Q	97.2	Very high	96.1	Very high	113 Å²	113	66.8 Å²	66.8	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-42.1	176.3	-70.9	173.8	10.3	0	0	112.4	E99 S100 R101 S105 I106 A107	E99-Q103 WeakPolarHBondContact O-CG 3.35Å; E99-Q103 PolarHBondContact O-N 3.43Å; E99-Q103 PolarHBondContact OE1-NE2 3.19Å; E99-Q103 VanDerWaalsContact OE1-NE2 3.1Å; S100-Q103 PolarHBondContact O-N 3.3Å; R101-Q103 VanDerWaalsContact C-N 3.34Å; R101-Q103 PolarHBondContact O-N 3.1Å; Q103-S105 VanDerWaalsContact C-N 3.34Å; Q103-S105 PolarHBondContact O-N 2.97Å; Q103-I106 PolarHBondContact O-N 3.15Å; Q103-A107 PolarHBondContact O-N 3.47Å
104	Q	97.7	Very high	96.5	Very high	93 Å²	93	67.1 Å²	67.1	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-41.4	174.2	-68	172.1	39.6	0	0	111.7	S100 R101 R102 I106 A107 L108 L134	S100-Q104 WeakPolarHBondContact O-CG 3.32Å; S100-Q104 PolarHBondContact O-N 3.17Å; S100-Q104 PolarHBondContact OG-NE2 3.41Å; R101-Q104 PolarHBondContact O-N 2.74Å; R102-Q104 PolarHBondContact O-N 3.41Å; Q104-I106 VanDerWaalsContact C-N 3.31Å; Q104-I106 PolarHBondContact O-N 3.34Å; Q104-A107 PolarHBondContact O-N 3.15Å; Q104-L108 WeakPolarHBondContact O-CG 3.27Å; Q104-L108 PolarHBondContact O-N 2.99Å; Q104-L134 HydrophobicContact CB-CD1 3.69Å
105	S	97.3	Very high	96.6	Very high	4 Å²	4	65.5 Å²	65.5	3%	0.028	34%	0.336	C	S	.	.	H	α-helix	trans	-59.7	-40.3	173.5	173.1	0	0	0	0	112.3	R101 R102 Q103 L108 K109 A131 C135	R101-S105 WeakPolarHBondContact O-CB 3.38Å; R101-S105 PolarHBondContact O-N 3.02Å; R102-S105 WeakPolarHBondContact O-CB 3.46Å; R102-S105 PolarHBondContact O-N 3.13Å; Q103-S105 VanDerWaalsContact C-N 3.34Å; Q103-S105 PolarHBondContact O-N 2.97Å; S105-L108 PolarHBondContact O-N 3.23Å; S105-K109 WeakPolarHBondContact O-CB 3.39Å; S105-K109 PolarHBondContact O-N 3.43Å; S105-A131 WeakPolarHBondContact CB-O 3.35Å; S105-A131 WeakPolarHBondContact O-CB 3.44Å; S105-A131 PolarHBondContact OG-O 3.12Å; S105-C135 WeakPolarHBondContact OG-CB 3.43Å
106	I	97.2	Very high	96.8	Very high	69 Å²	69	59.8 Å²	59.8	35%	0.354	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-43.9	177.7	-68.7	164.1	0	0	0	110.3	R102 Q103 Q104 L108 K109 E110	R102-I106 HydrophobicContact CG-CD1 4.27Å; R102-I106 WeakPolarHBondContact O-CG1 3.49Å; R102-I106 PolarHBondContact O-N 2.77Å; Q103-I106 PolarHBondContact O-N 3.15Å; Q104-I106 VanDerWaalsContact C-N 3.31Å; Q104-I106 PolarHBondContact O-N 3.34Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 2.97Å; I106-K109 WeakPolarHBondContact O-CB 3.45Å; I106-K109 PolarHBondContact O-N 2.79Å; I106-E110 PolarHBondContact O-N 2.94Å
107	A	98	Very high	96.9	Very high	57 Å²	57	58.2 Å²	58.2	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-40.8	177.1	0	0	0	0	0	112.5	Q103 Q104 E110 T111	Q103-A107 PolarHBondContact O-N 3.47Å; Q104-A107 PolarHBondContact O-N 3.15Å; A107-E110 PolarHBondContact O-N 3.45Å; A107-T111 PolarHBondContact O-N 3.03Å; A107-T111 PolarHBondContact O-OG1 3.09Å
108	L	98.3	Very high	97	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.188	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-38.7	174.7	-74	168.4	0	0	0	112.3	Q104 S105 I106 E110 T111 G112 Q130 A131 L134	Q104-L108 WeakPolarHBondContact O-CG 3.27Å; Q104-L108 PolarHBondContact O-N 2.99Å; S105-L108 PolarHBondContact O-N 3.23Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 2.97Å; L108-E110 VanDerWaalsContact C-N 3.35Å; L108-E110 PolarHBondContact O-N 3.41Å; L108-T111 WeakPolarHBondContact O-CB 3.03Å; L108-T111 PolarHBondContact O-N 3.33Å; L108-G112 PolarHBondContact O-N 3.48Å; L108-Q130 HydrophobicContact CD1-CB 3.82Å; L108-Q130 HydrophobicContact CD2-CB 4.49Å; L108-A131 HydrophobicContact CB-CB 3.81Å; L108-L134 HydrophobicContact CD1-CD1 3.65Å
109	K	97.9	Very high	97.1	Very high	38 Å²	38	56.8 Å²	56.8	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-49.1	172.4	-176.2	-158.8	65.9	159.5	0	110.6	S105 I106 T111 G112 N113 Y128 V145 L146	S105-K109 WeakPolarHBondContact O-CB 3.39Å; S105-K109 PolarHBondContact O-N 3.43Å; I106-K109 WeakPolarHBondContact O-CB 3.45Å; I106-K109 PolarHBondContact O-N 2.79Å; K109-T111 VanDerWaalsContact C-N 3.32Å; K109-T111 PolarHBondContact O-N 2.99Å; K109-G112 PolarHBondContact O-N 3.34Å; K109-N113 PolarHBondContact O-N 3.01Å; K109-N113 PolarHBondContact O-OD1 3.01Å; K109-Y128 HydrophobicContact CG-CE1 4.49Å; K109-V145 HydrophobicContact CD-CG1 4.47Å; K109-L146 HydrophobicContact CB-CD2 3.81Å; K109-L146 HydrophobicContact CD-CD2 4.46Å; K109-L146 HydrophobicContact CG-CD2 3.77Å
110	E	98.1	Very high	97.2	Very high	95 Å²	95	57 Å²	57	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-36.1	179.3	-63.9	-49.9	148.7	0	0	112.6	I106 A107 L108 N113 G114	I106-E110 PolarHBondContact O-N 2.94Å; A107-E110 PolarHBondContact O-N 3.45Å; L108-E110 VanDerWaalsContact C-N 3.35Å; L108-E110 PolarHBondContact O-N 3.41Å; E110-N113 WeakPolarHBondContact O-CB 3.37Å; E110-N113 PolarHBondContact O-N 3.3Å; E110-N113 PolarHBondContact OE2-ND2 2.96Å; E110-N113 VanDerWaalsContact OE2-ND2 3.07Å; E110-G114 PolarHBondContact O-N 3.35Å
111	T	98.1	Very high	97.3	Very high	76 Å²	76	57.7 Å²	57.7	47%	0.466	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-47.2	172.3	-55.9	0	0	0	0	110.8	A107 L108 K109 N113 G114 L115	A107-T111 PolarHBondContact O-N 3.03Å; A107-T111 PolarHBondContact O-OG1 3.09Å; L108-T111 WeakPolarHBondContact O-CB 3.03Å; L108-T111 PolarHBondContact O-N 3.33Å; K109-T111 VanDerWaalsContact C-N 3.32Å; K109-T111 PolarHBondContact O-N 2.99Å; T111-N113 VanDerWaalsContact C-N 3.34Å; T111-N113 PolarHBondContact O-N 3.46Å; T111-G114 PolarHBondContact O-N 2.9Å; T111-L115 HydrophobicContact CG2-CD1 4.09Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 2.96Å
112	G	98.1	Very high	97.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-40.5	174.7	0	0	0	0	0	112.8	L108 K109 G114 L115 F116 Y128	L108-G112 PolarHBondContact O-N 3.48Å; K109-G112 PolarHBondContact O-N 3.34Å; G112-G114 VanDerWaalsContact C-N 3.32Å; G112-G114 PolarHBondContact O-N 3.47Å; G112-L115 PolarHBondContact O-N 3.45Å; G112-F116 VanDerWaalsContact O-CB 3.27Å; G112-F116 WeakPolarHBondContact O-CB 3.29Å; G112-F116 PolarHBondContact O-N 2.83Å; G112-Y128 VanDerWaalsContact C-CZ 3.49Å; G112-Y128 PolarHBondContact O-OH 2.97Å
113	N	97.4	Very high	97.5	Very high	13 Å²	13	62.4 Å²	62.4	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-41	174.9	-68.2	-17.1	0	0	0	111.2	K109 E110 T111 K117 Y128 N149	K109-N113 PolarHBondContact O-N 3.01Å; K109-N113 PolarHBondContact O-OD1 3.01Å; E110-N113 WeakPolarHBondContact O-CB 3.37Å; E110-N113 PolarHBondContact O-N 3.3Å; E110-N113 PolarHBondContact OE2-ND2 2.96Å; E110-N113 VanDerWaalsContact OE2-ND2 3.07Å; T111-N113 VanDerWaalsContact C-N 3.34Å; T111-N113 PolarHBondContact O-N 3.46Å; N113-K117 VanDerWaalsContact O-CG 3.31Å; N113-K117 WeakPolarHBondContact O-CG 3.39Å; N113-K117 PolarHBondContact O-N 2.84Å; N113-Y128 VanDerWaalsContact CA-OH 3.31Å; N113-Y128 WeakPolarHBondContact CA-OH 3.49Å; N113-Y128 PolarHBondContact N-OH 3.17Å; N113-Y128 PolarHBondContact OD1-OH 3.42Å; N113-N149 PolarHBondContact OD1-ND2 3.04Å; N113-N149 VanDerWaalsContact OD1-ND2 3.12Å
114	G	97.9	Very high	97.6	Very high	42 Å²	42	57 Å²	57	43%	0.433	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-46.8	175.5	0	0	0	0	0	112.6	E110 T111 G112 K117 A118	E110-G114 PolarHBondContact O-N 3.35Å; T111-G114 PolarHBondContact O-N 2.9Å; G112-G114 VanDerWaalsContact C-N 3.32Å; G112-G114 PolarHBondContact O-N 3.47Å; G114-K117 PolarHBondContact O-N 3.38Å; G114-A118 PolarHBondContact O-N 3.17Å
115	L	97.9	Very high	97.6	Very high	42 Å²	42	54.2 Å²	54.2	22%	0.22	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-41.8	176.7	-69.9	162.7	0	0	0	111.9	T111 G112 K117 A118 G119 D120 E123 A124 S127	T111-L115 HydrophobicContact CG2-CD1 4.09Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 2.96Å; G112-L115 PolarHBondContact O-N 3.45Å; L115-K117 PolarHBondContact O-N 3.21Å; L115-A118 CarbonylContact O-C 3.49Å; L115-A118 WeakPolarHBondContact O-CB 3.44Å; L115-A118 PolarHBondContact O-N 3.32Å; L115-A118 VanDerWaalsContact O-N 3.09Å; L115-G119 PolarHBondContact O-N 3.23Å; L115-G119 VanDerWaalsContact O-N 3.12Å; L115-D120 HydrophobicContact CB-CB 4.36Å; L115-D120 HydrophobicContact CD2-CB 4.13Å; L115-D120 PolarHBondContact O-N 3.29Å; L115-E123 HydrophobicContact CD1-CB 3.88Å; L115-E123 HydrophobicContact CD2-CB 4.05Å; L115-E123 HydrophobicContact CG-CB 4.4Å; L115-A124 HydrophobicContact CB-CB 3.96Å; L115-S127 VanDerWaalsContact CD1-OG 3.32Å; L115-S127 WeakPolarHBondContact CD1-OG 3.35Å
116	F	97.3	Very high	97.6	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-49.6	174.2	-171.6	-88.5	0	0	0	110.3	G112 A118 G119 W121 A124 A152 A153 H156	G112-F116 VanDerWaalsContact O-CB 3.27Å; G112-F116 WeakPolarHBondContact O-CB 3.29Å; G112-F116 PolarHBondContact O-N 2.83Å; F116-A118 PolarHBondContact O-N 3.23Å; F116-G119 PolarHBondContact O-N 3.46Å; F116-W121 HydrophobicContact CB-CE3 4.45Å; F116-W121 HydrophobicContact CB-CZ3 4.25Å; F116-W121 HydrophobicContact CD1-CE3 4.43Å; F116-W121 AromaticContact CD1-CZ3 3.63Å; F116-W121 HydrophobicContact CD1-CZ3 3.63Å; F116-W121 AromaticContact CD2-CE3 3.37Å; F116-W121 HydrophobicContact CD2-CE3 3.37Å; F116-W121 AromaticContact CD2-CZ3 3.4Å; F116-W121 HydrophobicContact CD2-CZ3 3.4Å; F116-W121 HydrophobicContact CE1-CH2 4.33Å; F116-W121 AromaticContact CE1-CZ3 3.62Å; F116-W121 HydrophobicContact CE1-CZ3 3.62Å; F116-W121 AromaticContact CE2-CE3 3.47Å; F116-W121 HydrophobicContact CE2-CE3 3.47Å; F116-W121 VanDerWaalsContact CE2-CE3 3.47Å; F116-W121 AromaticContact CE2-CZ3 3.37Å; F116-W121 HydrophobicContact CE2-CZ3 3.37Å; F116-W121 AromaticContact CG-CE3 3.87Å; F116-W121 HydrophobicContact CG-CE3 3.87Å; F116-W121 AromaticContact CG-CZ3 3.5Å; F116-W121 HydrophobicContact CG-CZ3 3.5Å; F116-W121 HydrophobicContact CZ-CE3 4.06Å; F116-W121 HydrophobicContact CZ-CH2 4.31Å; F116-W121 AromaticContact CZ-CZ3 3.48Å; F116-W121 HydrophobicContact CZ-CZ3 3.48Å; F116-W121 VanDerWaalsContact CZ-CZ3 3.48Å; F116-W121 WeakPolarHBondContact O-CH2 3.49Å; F116-W121 WeakPolarHBondContact O-CZ3 3Å; F116-A124 HydrophobicContact CB-CB 4.03Å; F116-A152 HydrophobicContact CE2-CB 3.64Å; F116-A152 HydrophobicContact CZ-CB 3.8Å; F116-A153 HydrophobicContact CD2-CB 4.23Å; F116-A153 HydrophobicContact CE2-CB 4.42Å; F116-H156 AromaticContact CE2-CD2 3.73Å; F116-H156 AromaticContact CZ-CD2 3.66Å; F116-H156 AromaticContact CZ-NE2 3.68Å
117	K	97.2	Very high	97.6	Very high	136 Å²	136	56 Å²	56	59%	0.591	31%	0.309	S	S	*	.	H	α-helix	trans	-62	-27.5	176.3	-71	173.6	-176.7	179.1	0	113.3	C18 N113 G114 L115 G119	C18-K117 WeakPolarHBondContact SG-CE 3.43Å; N113-K117 VanDerWaalsContact O-CG 3.31Å; N113-K117 WeakPolarHBondContact O-CG 3.39Å; N113-K117 PolarHBondContact O-N 2.84Å; G114-K117 PolarHBondContact O-N 3.38Å; L115-K117 PolarHBondContact O-N 3.21Å; K117-G119 VanDerWaalsContact C-N 3.32Å
118	A	96.6	Very high	97.6	Very high	70 Å²	70	53.4 Å²	53.4	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-78.8	-13.1	175.7	0	0	0	0	0	113.7	G114 L115 F116	G114-A118 PolarHBondContact O-N 3.17Å; L115-A118 CarbonylContact O-C 3.49Å; L115-A118 WeakPolarHBondContact O-CB 3.44Å; L115-A118 PolarHBondContact O-N 3.32Å; L115-A118 VanDerWaalsContact O-N 3.09Å; F116-A118 PolarHBondContact O-N 3.23Å
119	G	95.6	Very high	97.5	Very high	30 Å²	30	53.3 Å²	53.3	31%	0.309	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	4.2	-175.3	0	0	0	0	0	114.4	L115 F116 K117 W121	L115-G119 PolarHBondContact O-N 3.23Å; L115-G119 VanDerWaalsContact O-N 3.12Å; F116-G119 PolarHBondContact O-N 3.46Å; K117-G119 VanDerWaalsContact C-N 3.32Å; G119-W121 VanDerWaalsContact C-N 3.25Å; G119-W121 VanDerWaalsContact O-CD1 3.25Å; G119-W121 PolarHBondContact O-N 2.76Å; G119-W121 PolarHBondContact O-NE1 3.13Å
120	D	97.9	Very high	97.4	Very high	78 Å²	78	55.8 Å²	55.8	42%	0.417	30%	0.3	S	S	.	.			trans	-84	68.7	177.9	-64	-38.6	0	0	0	109.6	L115 K122 E123 A124	L115-D120 HydrophobicContact CB-CB 4.36Å; L115-D120 HydrophobicContact CD2-CB 4.13Å; L115-D120 PolarHBondContact O-N 3.29Å; D120-K122 VanDerWaalsContact C-N 3.31Å; D120-K122 PolarHBondContact O-N 2.98Å; D120-E123 HydrophobicContact CB-CB 4.31Å; D120-E123 PolarHBondContact O-N 3.49Å; D120-A124 WeakPolarHBondContact O-CB 3.38Å; D120-A124 PolarHBondContact O-N 3.37Å
121	W	97.1	Very high	97.3	Very high	69 Å²	69	51.3 Å²	51.3	26%	0.261	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-33.6	-170.3	-44.6	118.4	0	0	0	113.3	F116 G119 A124 E125 H156 L157	F116-W121 HydrophobicContact CB-CE3 4.45Å; F116-W121 HydrophobicContact CB-CZ3 4.25Å; F116-W121 HydrophobicContact CD1-CE3 4.43Å; F116-W121 AromaticContact CD1-CZ3 3.63Å; F116-W121 HydrophobicContact CD1-CZ3 3.63Å; F116-W121 AromaticContact CD2-CE3 3.37Å; F116-W121 HydrophobicContact CD2-CE3 3.37Å; F116-W121 AromaticContact CD2-CZ3 3.4Å; F116-W121 HydrophobicContact CD2-CZ3 3.4Å; F116-W121 HydrophobicContact CE1-CH2 4.33Å; F116-W121 AromaticContact CE1-CZ3 3.62Å; F116-W121 HydrophobicContact CE1-CZ3 3.62Å; F116-W121 AromaticContact CE2-CE3 3.47Å; F116-W121 HydrophobicContact CE2-CE3 3.47Å; F116-W121 VanDerWaalsContact CE2-CE3 3.47Å; F116-W121 AromaticContact CE2-CZ3 3.37Å; F116-W121 HydrophobicContact CE2-CZ3 3.37Å; F116-W121 AromaticContact CG-CE3 3.87Å; F116-W121 HydrophobicContact CG-CE3 3.87Å; F116-W121 AromaticContact CG-CZ3 3.5Å; F116-W121 HydrophobicContact CG-CZ3 3.5Å; F116-W121 HydrophobicContact CZ-CE3 4.06Å; F116-W121 HydrophobicContact CZ-CH2 4.31Å; F116-W121 AromaticContact CZ-CZ3 3.48Å; F116-W121 HydrophobicContact CZ-CZ3 3.48Å; F116-W121 VanDerWaalsContact CZ-CZ3 3.48Å; F116-W121 WeakPolarHBondContact O-CH2 3.49Å; F116-W121 WeakPolarHBondContact O-CZ3 3Å; G119-W121 VanDerWaalsContact C-N 3.25Å; G119-W121 VanDerWaalsContact O-CD1 3.25Å; G119-W121 PolarHBondContact O-N 2.76Å; G119-W121 PolarHBondContact O-NE1 3.13Å; W121-A124 PolarHBondContact O-N 2.91Å; W121-E125 WeakPolarHBondContact O-CB 3.4Å; W121-E125 PolarHBondContact O-N 2.84Å; W121-H156 HydrophobicContact CB-CB 4.17Å; W121-H156 HydrophobicContact CD2-CB 3.65Å; W121-H156 AromaticContact CD2-CG 3.81Å; W121-H156 AromaticContact CE2-CG 3.74Å; W121-H156 AromaticContact CE2-ND1 3.93Å; W121-H156 HydrophobicContact CE3-CB 4.28Å; W121-H156 AromaticContact CE3-CD2 3.9Å; W121-H156 HydrophobicContact CG-CB 3.56Å; W121-H156 AromaticContact CH2-NE2 3.99Å; W121-H156 AromaticContact CZ2-ND1 3.88Å; W121-H156 AromaticContact CZ3-CD2 3.89Å; W121-L157 HydrophobicContact CB-CD1 4.46Å; W121-L157 HydrophobicContact CB-CD2 3.95Å; W121-L157 HydrophobicContact CB-CG 3.96Å
122	K	97.9	Very high	97.2	Very high	142 Å²	142	47.7 Å²	47.7	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-69.9	-44.6	-179.3	-171.8	176.9	-176.8	175.6	0	111.3	D120 A124 E125 L126 L157	D120-K122 VanDerWaalsContact C-N 3.31Å; D120-K122 PolarHBondContact O-N 2.98Å; K122-A124 VanDerWaalsContact C-N 3.32Å; K122-E125 PolarHBondContact O-N 2.94Å; K122-L126 PolarHBondContact O-N 3.43Å; K122-L157 HydrophobicContact CB-CD2 4.38Å
123	E	97.8	Very high	97	Very high	93 Å²	93	49 Å²	49	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-68.5	-35.5	176.2	-68.1	69.6	-160.6	0	0	110.8	L115 D120 L126 S127	L115-E123 HydrophobicContact CD1-CB 3.88Å; L115-E123 HydrophobicContact CD2-CB 4.05Å; L115-E123 HydrophobicContact CG-CB 4.4Å; D120-E123 HydrophobicContact CB-CB 4.31Å; D120-E123 PolarHBondContact O-N 3.49Å; E123-L126 PolarHBondContact O-N 3.21Å; E123-S127 WeakPolarHBondContact O-CB 3.27Å; E123-S127 PolarHBondContact O-N 2.92Å; E123-S127 PolarHBondContact O-OG 2.64Å
124	A	97.9	Very high	96.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-48.1	171.7	0	0	0	0	0	111.5	L115 F116 D120 W121 K122 L126 S127 Y128 A153	L115-A124 HydrophobicContact CB-CB 3.96Å; F116-A124 HydrophobicContact CB-CB 4.03Å; D120-A124 WeakPolarHBondContact O-CB 3.38Å; D120-A124 PolarHBondContact O-N 3.37Å; W121-A124 PolarHBondContact O-N 2.91Å; K122-A124 VanDerWaalsContact C-N 3.32Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 2.69Å; A124-S127 PolarHBondContact O-N 2.85Å; A124-Y128 HydrophobicContact CB-CE2 4.03Å; A124-Y128 WeakPolarHBondContact O-CD2 3.5Å; A124-Y128 PolarHBondContact O-N 3.38Å; A124-A153 HydrophobicContact CB-CB 4.36Å
125	E	97.7	Very high	96.6	Very high	34 Å²	34	48.1 Å²	48.1	16%	0.159	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-45.9	175.8	-171.1	-158.5	176	0	0	111.6	W121 K122 Y128 T129 R150 A153 R154 L157	W121-E125 WeakPolarHBondContact O-CB 3.4Å; W121-E125 PolarHBondContact O-N 2.84Å; K122-E125 PolarHBondContact O-N 2.94Å; E125-Y128 PolarHBondContact O-N 2.92Å; E125-T129 WeakPolarHBondContact O-CB 3.44Å; E125-T129 PolarHBondContact O-N 3.33Å; E125-T129 PolarHBondContact O-OG1 3.08Å; E125-R150 HydrophobicContact CG-CG 3.74Å; E125-A153 HydrophobicContact CB-CB 4.08Å; E125-R154 HydrophobicContact CG-CG 4.07Å; E125-R154 IonicContact OE1-CZ 2.73Å; E125-R154 VanDerWaalsContact OE1-CZ 3.29Å; E125-R154 IonicContact OE1-NE 2.76Å; E125-R154 PolarHBondContact OE1-NE 2.73Å; E125-R154 IonicContact OE1-NH2 3.14Å; E125-R154 PolarHBondContact OE1-NH2 2.96Å; E125-L157 HydrophobicContact CB-CD1 4.4Å
126	L	97.2	Very high	96.4	Very high	98 Å²	98	46.3 Å²	46.3	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-44.1	177.8	-178.2	62.6	0	0	0	111.5	K122 E123 A124 T129 Q130	K122-L126 PolarHBondContact O-N 3.43Å; E123-L126 PolarHBondContact O-N 3.21Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 2.69Å; L126-T129 WeakPolarHBondContact O-CB 3.16Å; L126-T129 PolarHBondContact O-N 2.95Å; L126-Q130 WeakPolarHBondContact O-CG 3.37Å; L126-Q130 PolarHBondContact O-N 2.75Å
127	S	97.9	Very high	96.2	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-44.7	178.4	-60.1	0	0	0	0	112	L115 E123 A124 T129 Q130 A131	L115-S127 VanDerWaalsContact CD1-OG 3.32Å; L115-S127 WeakPolarHBondContact CD1-OG 3.35Å; E123-S127 WeakPolarHBondContact O-CB 3.27Å; E123-S127 PolarHBondContact O-N 2.92Å; E123-S127 PolarHBondContact O-OG 2.64Å; A124-S127 PolarHBondContact O-N 2.85Å; S127-T129 VanDerWaalsContact C-N 3.33Å; S127-T129 PolarHBondContact O-N 2.93Å; S127-Q130 PolarHBondContact O-N 2.95Å; S127-A131 WeakPolarHBondContact O-CB 3.4Å; S127-A131 PolarHBondContact O-N 3.21Å
128	Y	97.9	Very high	95.8	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-35.4	175.6	-61.2	-49.8	0	0	0	112.5	K109 G112 N113 A124 E125 A131 L132 L146 N149 R150 A153	K109-Y128 HydrophobicContact CG-CE1 4.49Å; G112-Y128 VanDerWaalsContact C-CZ 3.49Å; G112-Y128 PolarHBondContact O-OH 2.97Å; N113-Y128 VanDerWaalsContact CA-OH 3.31Å; N113-Y128 WeakPolarHBondContact CA-OH 3.49Å; N113-Y128 PolarHBondContact N-OH 3.17Å; N113-Y128 PolarHBondContact OD1-OH 3.42Å; A124-Y128 HydrophobicContact CB-CE2 4.03Å; A124-Y128 WeakPolarHBondContact O-CD2 3.5Å; A124-Y128 PolarHBondContact O-N 3.38Å; E125-Y128 PolarHBondContact O-N 2.92Å; Y128-A131 WeakPolarHBondContact O-CB 3.37Å; Y128-A131 PolarHBondContact O-N 3Å; Y128-L132 WeakPolarHBondContact O-CG 3.32Å; Y128-L132 PolarHBondContact O-N 3.21Å; Y128-L146 HydrophobicContact CD1-CD2 4.26Å; Y128-N149 HydrophobicContact CD1-CB 3.99Å; Y128-N149 HydrophobicContact CD2-CB 4.16Å; Y128-N149 HydrophobicContact CE1-CB 3.68Å; Y128-N149 HydrophobicContact CE2-CB 3.86Å; Y128-N149 WeakPolarHBondContact CE2-O 3.45Å; Y128-N149 HydrophobicContact CG-CB 4.22Å; Y128-R150 HydrophobicContact CD2-CB 4.29Å; Y128-R150 HydrophobicContact CG-CB 4.44Å; Y128-A153 HydrophobicContact CE2-CB 4.45Å
129	T	96.7	Very high	95.7	Very high	34 Å²	34	41.7 Å²	41.7	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-44.1	174.9	-62.6	0	0	0	0	111.1	F81 E125 L126 S127 A131 L132 A133 R150	F81-T129 HydrophobicContact CE2-CG2 3.85Å; F81-T129 VanDerWaalsContact CE2-O 3.22Å; F81-T129 WeakPolarHBondContact CE2-O 3.46Å; F81-T129 HydrophobicContact CZ-CG2 4.22Å; F81-T129 WeakPolarHBondContact CZ-O 3.41Å; E125-T129 WeakPolarHBondContact O-CB 3.44Å; E125-T129 PolarHBondContact O-N 3.33Å; E125-T129 PolarHBondContact O-OG1 3.08Å; L126-T129 WeakPolarHBondContact O-CB 3.16Å; L126-T129 PolarHBondContact O-N 2.95Å; S127-T129 VanDerWaalsContact C-N 3.33Å; S127-T129 PolarHBondContact O-N 2.93Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-L132 PolarHBondContact O-N 2.79Å; T129-A133 PolarHBondContact O-N 2.74Å; T129-R150 WeakPolarHBondContact OG1-CD 3.46Å; T129-R150 PolarHBondContact OG1-NH1 3.35Å; T129-R150 VanDerWaalsContact OG1-NH1 3.13Å
130	Q	95.7	Very high	95.6	Very high	90 Å²	90	42.6 Å²	42.6	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-65.3	-38.6	174.4	-67.5	173.8	-0.7	0	0	111.9	L108 L126 S127 L132 A133 L134	L108-Q130 HydrophobicContact CD1-CB 3.82Å; L108-Q130 HydrophobicContact CD2-CB 4.49Å; L126-Q130 WeakPolarHBondContact O-CG 3.37Å; L126-Q130 PolarHBondContact O-N 2.75Å; S127-Q130 PolarHBondContact O-N 2.95Å; Q130-L132 PolarHBondContact O-N 2.61Å; Q130-A133 VanDerWaalsContact O-CB 3.31Å; Q130-A133 WeakPolarHBondContact O-CB 3.35Å; Q130-A133 PolarHBondContact O-N 2.83Å; Q130-L134 PolarHBondContact O-N 3.15Å
131	A	96.7	Very high	95.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-44.8	174.3	0	0	0	0	0	111.5	S105 L108 S127 Y128 T129 A133 L134 C135 L146	S105-A131 WeakPolarHBondContact CB-O 3.35Å; S105-A131 WeakPolarHBondContact O-CB 3.44Å; S105-A131 PolarHBondContact OG-O 3.12Å; L108-A131 HydrophobicContact CB-CB 3.81Å; S127-A131 WeakPolarHBondContact O-CB 3.4Å; S127-A131 PolarHBondContact O-N 3.21Å; Y128-A131 WeakPolarHBondContact O-CB 3.37Å; Y128-A131 PolarHBondContact O-N 3Å; T129-A131 VanDerWaalsContact C-N 3.34Å; A131-A133 VanDerWaalsContact C-N 3.25Å; A131-A133 PolarHBondContact O-N 2.96Å; A131-L134 PolarHBondContact O-N 2.96Å; A131-L134 VanDerWaalsContact O-N 3.09Å; A131-C135 WeakPolarHBondContact O-CB 3.37Å; A131-C135 PolarHBondContact O-N 3.23Å; A131-L146 HydrophobicContact CB-CD1 3.98Å; A131-L146 HydrophobicContact CB-CD2 3.53Å; A131-L146 HydrophobicContact CB-CG 4.41Å
132	L	95	Very high	95.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-30.7	176.1	-78.1	165.9	0	0	0	113.6	F81 Y128 T129 Q130 L134 R143 L146 F147	F81-L132 HydrophobicContact CD2-CB 3.85Å; F81-L132 HydrophobicContact CE2-CB 3.66Å; F81-L132 HydrophobicContact CZ-CB 4.32Å; Y128-L132 WeakPolarHBondContact O-CG 3.32Å; Y128-L132 PolarHBondContact O-N 3.21Å; T129-L132 PolarHBondContact O-N 2.79Å; Q130-L132 PolarHBondContact O-N 2.61Å; L132-L134 VanDerWaalsContact C-N 3.31Å; L132-R143 HydrophobicContact CD2-CB 4.47Å; L132-R143 PolarHBondContact O-NH1 3Å; L132-L146 HydrophobicContact CD1-CB 4.42Å; L132-L146 HydrophobicContact CD2-CB 3.54Å; L132-L146 HydrophobicContact CD2-CD1 3.96Å; L132-L146 HydrophobicContact CD2-CG 4.41Å; L132-L146 HydrophobicContact CG-CB 3.73Å; L132-L146 HydrophobicContact CG-CD1 4.15Å; L132-F147 HydrophobicContact CD1-CD1 3.75Å; L132-F147 HydrophobicContact CD1-CE1 3.63Å; L132-F147 HydrophobicContact CD1-CG 4.31Å; L132-F147 HydrophobicContact CD1-CZ 4.09Å; L132-F147 HydrophobicContact CD2-CD1 4.33Å; L132-F147 HydrophobicContact CD2-CD2 3.91Å; L132-F147 HydrophobicContact CD2-CE1 4.11Å; L132-F147 HydrophobicContact CD2-CE2 3.65Å; L132-F147 HydrophobicContact CD2-CG 4.22Å; L132-F147 HydrophobicContact CD2-CZ 3.74Å
133	A	93.1	Very high	95.2	Very high	29 Å²	29	38.7 Å²	38.7	24%	0.24	21%	0.205	C	C	.	.	H	α-helix	trans	-67.2	-32.9	175.3	0	0	0	0	0	112.9	F81 L86 R101 T129 Q130 A131	F81-A133 HydrophobicContact CE1-CB 3.39Å; F81-A133 HydrophobicContact CZ-CB 3.44Å; F81-A133 VanDerWaalsContact CZ-CB 3.44Å; L86-A133 WeakPolarHBondContact CD2-O 3.41Å; R101-A133 PolarHBondContact NH2-O 2.89Å; T129-A133 PolarHBondContact O-N 2.74Å; Q130-A133 VanDerWaalsContact O-CB 3.31Å; Q130-A133 WeakPolarHBondContact O-CB 3.35Å; Q130-A133 PolarHBondContact O-N 2.83Å; A131-A133 VanDerWaalsContact C-N 3.25Å; A131-A133 PolarHBondContact O-N 2.96Å
134	L	93.4	Very high	95.2	Very high	35 Å²	35	34.3 Å²	34.3	18%	0.183	18%	0.184	C	C	.	.	H	α-helix	trans	-93.9	-31.9	-176.8	-65.2	179.4	0	0	0	111.9	R101 Q104 L108 Q130 A131 L132 P136	R101-L134 WeakPolarHBondContact CB-O 3.19Å; Q104-L134 HydrophobicContact CB-CD1 3.69Å; L108-L134 HydrophobicContact CD1-CD1 3.65Å; Q130-L134 PolarHBondContact O-N 3.15Å; A131-L134 PolarHBondContact O-N 2.96Å; A131-L134 VanDerWaalsContact O-N 3.09Å; L132-L134 VanDerWaalsContact C-N 3.31Å; L134-P136 WeakPolarHBondContact O-CD 3.27Å
135	C	94.4	Very high	95.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	19%	0.186	C	C	.	.	S	Bend	trans	-60.8	118	-177.9	-165	0	0	0	0	111.2	S105 A131 R143 L146	S105-C135 WeakPolarHBondContact OG-CB 3.43Å; A131-C135 WeakPolarHBondContact O-CB 3.37Å; A131-C135 PolarHBondContact O-N 3.23Å; C135-R143 HydrophobicContact CB-CG 4.04Å; C135-R143 PolarHBondContact O-NH1 2.97Å; C135-R143 VanDerWaalsContact SG-CG 3.51Å; C135-L146 HydrophobicContact CB-CD1 3.8Å
136	P	93.6	Very high	95.1	Very high	3 Å²	3	33 Å²	33	2%	0.019	18%	0.179	C	C	.	.			trans	-56.1	141.7	179.2	-26.4	35.4	0	0	0	112.5	E90 K98 R102 L134 S138 C139 R143	E90-P136 WeakPolarHBondContact OE1-CA 2.83Å; K98-P136 HydrophobicContact CB-CG 4.37Å; R102-P136 HydrophobicContact CB-CG 4.11Å; L134-P136 WeakPolarHBondContact O-CD 3.27Å; P136-S138 PolarHBondContact O-N 3.19Å; P136-C139 WeakPolarHBondContact O-CB 3.22Å; P136-C139 PolarHBondContact O-N 3.34Å; P136-R143 WeakPolarHBondContact O-CD 3.31Å
137	V	91.9	Very high	95.2	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.097	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.1	-179.8	180	0	0	0	0	111.9	L86 R87 E90 C139	L86-V137 HydrophobicContact CB-CG2 3.53Å; L86-V137 HydrophobicContact CG-CG2 4.48Å; R87-V137 HydrophobicContact CG-CB 3.93Å; R87-V137 HydrophobicContact CG-CG1 3.7Å; R87-V137 HydrophobicContact CG-CG2 4.09Å; E90-V137 VanDerWaalsContact CD-N 3.33Å; E90-V137 WeakPolarHBondContact OE1-CG2 3.49Å; E90-V137 PolarHBondContact OE1-N 3.22Å; E90-V137 PolarHBondContact OE2-N 3.49Å; E90-V137 VanDerWaalsContact OE2-N 3.13Å; V137-C139 PolarHBondContact O-N 3.12Å
138	S	90.5	Very high	95.2	Very high	92 Å²	92	27.8 Å²	27.8	64%	0.643	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21	171.7	56.4	0	0	0	0	114	P136 S140	P136-S138 PolarHBondContact O-N 3.19Å; S138-S140 VanDerWaalsContact C-N 3.32Å; S138-S140 PolarHBondContact O-N 3.16Å
139	C	92.8	Very high	95.2	Very high	17 Å²	17	28 Å²	28	12%	0.115	15%	0.152	C	C	.	.			trans	-88.5	61.4	179.7	-65.8	0	0	0	0	111.5	P136 V137 R141 E142 R143	P136-C139 WeakPolarHBondContact O-CB 3.22Å; P136-C139 PolarHBondContact O-N 3.34Å; V137-C139 PolarHBondContact O-N 3.12Å; C139-R141 VanDerWaalsContact C-N 3.3Å; C139-R141 PolarHBondContact O-N 3.46Å; C139-E142 HydrophobicContact CB-CB 4.19Å; C139-E142 WeakPolarHBondContact CB-OE2 3.31Å; C139-E142 PolarHBondContact O-N 3.46Å; C139-R143 WeakPolarHBondContact O-CG 3.45Å; C139-R143 PolarHBondContact O-N 3.42Å
140	S	94.3	Very high	95.2	Very high	49 Å²	49	26.9 Å²	26.9	34%	0.343	14%	0.144	S	C	.	.	H	α-helix	trans	-56.3	-40.8	-173.5	-54.9	0	0	0	0	113.5	S138 R143 A144	S138-S140 VanDerWaalsContact C-N 3.32Å; S138-S140 PolarHBondContact O-N 3.16Å; S140-R143 PolarHBondContact O-N 3.43Å; S140-A144 WeakPolarHBondContact O-CB 3.38Å; S140-A144 PolarHBondContact O-N 3.07Å
141	R	94.2	Very high	95.3	Very high	155 Å²	155	22.6 Å²	22.6	59%	0.585	12%	0.124	S	C	*	.	H	α-helix	trans	-68.1	-45.6	-178.6	-70.2	-177.6	176	-172.2	-6.6	111.8	F15 C139 R143 A144 V145	F15-R141 HydrophobicContact CZ-CB 4.1Å; C139-R141 VanDerWaalsContact C-N 3.3Å; C139-R141 PolarHBondContact O-N 3.46Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R141-R143 PolarHBondContact O-N 3.12Å; R141-A144 WeakPolarHBondContact O-CB 3.42Å; R141-A144 PolarHBondContact O-N 2.99Å; R141-V145 PolarHBondContact O-N 3.37Å; R141-V145 VanDerWaalsContact O-N 3.1Å
142	E	95	Very high	95.3	Very high	52 Å²	52	22.7 Å²	22.7	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-39.9	176.9	-64.1	93.1	143.7	0	0	111.5	R102 C139 V145 L146	R102-E142 IonicContact CZ-OE1 3.78Å; R102-E142 IonicContact NE-OE1 3.42Å; R102-E142 PolarHBondContact NE-OE1 3.25Å; R102-E142 IonicContact NH2-OE1 3.9Å; R102-E142 PolarHBondContact NH2-OE1 3.14Å; C139-E142 HydrophobicContact CB-CB 4.19Å; C139-E142 WeakPolarHBondContact CB-OE2 3.31Å; C139-E142 PolarHBondContact O-N 3.46Å; E142-V145 PolarHBondContact O-N 2.91Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 2.83Å
143	R	96.1	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-42	173	-70	178.3	70.4	74.2	1.5	111.6	D83 L132 C135 P136 C139 S140 R141 V145 L146 F147 L173	D83-R143 IonicContact OD1-CZ 2.85Å; D83-R143 IonicContact OD1-NH2 3.38Å; D83-R143 PolarHBondContact OD1-NH2 3.12Å; L132-R143 HydrophobicContact CD2-CB 4.47Å; L132-R143 PolarHBondContact O-NH1 3Å; C135-R143 HydrophobicContact CB-CG 4.04Å; C135-R143 PolarHBondContact O-NH1 2.97Å; C135-R143 VanDerWaalsContact SG-CG 3.51Å; P136-R143 WeakPolarHBondContact O-CD 3.31Å; C139-R143 WeakPolarHBondContact O-CG 3.45Å; C139-R143 PolarHBondContact O-N 3.42Å; S140-R143 PolarHBondContact O-N 3.43Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R141-R143 PolarHBondContact O-N 3.12Å; R143-V145 VanDerWaalsContact C-N 3.32Å; R143-V145 PolarHBondContact O-N 3.19Å; R143-L146 PolarHBondContact O-N 3.28Å; R143-F147 HydrophobicContact CB-CE2 4.45Å; R143-F147 WeakPolarHBondContact O-CD2 3.43Å; R143-F147 PolarHBondContact O-N 3.21Å; R143-L173 HydrophobicContact CB-CD1 3.68Å
144	A	97.1	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-44.5	176.1	0	0	0	0	0	111.8	S140 R141 L146 F147 S148 A170 L173 D174 Y177	S140-A144 WeakPolarHBondContact O-CB 3.38Å; S140-A144 PolarHBondContact O-N 3.07Å; R141-A144 WeakPolarHBondContact O-CB 3.42Å; R141-A144 PolarHBondContact O-N 2.99Å; A144-L146 PolarHBondContact O-N 2.92Å; A144-F147 PolarHBondContact O-N 3.43Å; A144-S148 PolarHBondContact O-N 2.86Å; A144-A170 HydrophobicContact CB-CB 4.36Å; A144-A170 WeakPolarHBondContact CB-O 3.43Å; A144-A170 VanDerWaalsContact O-CB 3.3Å; A144-A170 WeakPolarHBondContact O-CB 3.3Å; A144-L173 HydrophobicContact CB-CB 3.97Å; A144-D174 HydrophobicContact CB-CB 3.74Å; A144-Y177 HydrophobicContact CB-CD1 4.14Å; A144-Y177 WeakPolarHBondContact O-CE1 3.5Å
145	V	97.1	Very high	95.7	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.036	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-45.7	174.6	172.4	0	0	0	0	111.9	F15 K109 R141 E142 R143 F147 S148 N149 Y177	F15-V145 HydrophobicContact CD1-CG2 3.96Å; F15-V145 HydrophobicContact CD2-CG2 4.44Å; F15-V145 HydrophobicContact CE1-CG2 3.22Å; F15-V145 HydrophobicContact CE2-CG2 3.74Å; F15-V145 HydrophobicContact CZ-CB 4.33Å; F15-V145 HydrophobicContact CZ-CG2 3.1Å; K109-V145 HydrophobicContact CD-CG1 4.47Å; R141-V145 PolarHBondContact O-N 3.37Å; R141-V145 VanDerWaalsContact O-N 3.1Å; E142-V145 PolarHBondContact O-N 2.91Å; R143-V145 VanDerWaalsContact C-N 3.32Å; R143-V145 PolarHBondContact O-N 3.19Å; V145-F147 PolarHBondContact O-N 3.42Å; V145-S148 PolarHBondContact O-N 3.43Å; V145-N149 WeakPolarHBondContact O-CB 3.37Å; V145-N149 PolarHBondContact O-N 2.97Å; V145-N149 PolarHBondContact O-OD1 3.41Å; V145-Y177 HydrophobicContact CG2-CE1 4.28Å; V145-Y177 HydrophobicContact CG2-CE2 4.5Å
146	L	97.4	Very high	95.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-43.6	179.1	-72.6	171.9	0	0	0	112.5	K109 Y128 A131 L132 C135 E142 R143 A144 N149 R150	K109-L146 HydrophobicContact CB-CD2 3.81Å; K109-L146 HydrophobicContact CD-CD2 4.46Å; K109-L146 HydrophobicContact CG-CD2 3.77Å; Y128-L146 HydrophobicContact CD1-CD2 4.26Å; A131-L146 HydrophobicContact CB-CD1 3.98Å; A131-L146 HydrophobicContact CB-CD2 3.53Å; A131-L146 HydrophobicContact CB-CG 4.41Å; L132-L146 HydrophobicContact CD1-CB 4.42Å; L132-L146 HydrophobicContact CD2-CB 3.54Å; L132-L146 HydrophobicContact CD2-CD1 3.96Å; L132-L146 HydrophobicContact CD2-CG 4.41Å; L132-L146 HydrophobicContact CG-CB 3.73Å; L132-L146 HydrophobicContact CG-CD1 4.15Å; C135-L146 HydrophobicContact CB-CD1 3.8Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 2.83Å; R143-L146 PolarHBondContact O-N 3.28Å; A144-L146 PolarHBondContact O-N 2.92Å; L146-N149 PolarHBondContact O-N 2.72Å; L146-R150 WeakPolarHBondContact O-CB 3.45Å; L146-R150 PolarHBondContact O-N 3.34Å
147	F	97.8	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-46.3	174	-77.8	-63.1	0	0	0	111.5	L132 R143 A144 V145 N149 R150 A151 D166 R169 A170 L173	L132-F147 HydrophobicContact CD1-CD1 3.75Å; L132-F147 HydrophobicContact CD1-CE1 3.63Å; L132-F147 HydrophobicContact CD1-CG 4.31Å; L132-F147 HydrophobicContact CD1-CZ 4.09Å; L132-F147 HydrophobicContact CD2-CD1 4.33Å; L132-F147 HydrophobicContact CD2-CD2 3.91Å; L132-F147 HydrophobicContact CD2-CE1 4.11Å; L132-F147 HydrophobicContact CD2-CE2 3.65Å; L132-F147 HydrophobicContact CD2-CG 4.22Å; L132-F147 HydrophobicContact CD2-CZ 3.74Å; R143-F147 HydrophobicContact CB-CE2 4.45Å; R143-F147 WeakPolarHBondContact O-CD2 3.43Å; R143-F147 PolarHBondContact O-N 3.21Å; A144-F147 PolarHBondContact O-N 3.43Å; V145-F147 PolarHBondContact O-N 3.42Å; F147-N149 PolarHBondContact O-N 3.15Å; F147-R150 PolarHBondContact O-N 3.39Å; F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 3.06Å; F147-D166 HydrophobicContact CB-CB 4.47Å; F147-D166 WeakPolarHBondContact CB-O 3.32Å; F147-D166 HydrophobicContact CD1-CB 4.45Å; F147-D166 WeakPolarHBondContact CD1-OD1 3.48Å; F147-D166 WeakPolarHBondContact O-CB 3.43Å; F147-R169 HydrophobicContact CD1-CB 4.15Å; F147-R169 HydrophobicContact CD2-CB 4.11Å; F147-R169 HydrophobicContact CE1-CB 4.33Å; F147-R169 HydrophobicContact CE2-CB 4.3Å; F147-R169 HydrophobicContact CG-CB 4.07Å; F147-R169 HydrophobicContact CZ-CB 4.43Å; F147-A170 HydrophobicContact CB-CB 3.91Å; F147-L173 HydrophobicContact CD2-CD1 3.67Å; F147-L173 HydrophobicContact CE2-CD1 3.66Å
148	S	97.9	Very high	96	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-36.4	178.2	-177	0	0	0	0	113.5	A144 V145 A151 A152 Y177	A144-S148 PolarHBondContact O-N 2.86Å; V145-S148 PolarHBondContact O-N 3.43Å; S148-A151 WeakPolarHBondContact O-CB 3.49Å; S148-A151 PolarHBondContact O-N 3.23Å; S148-A152 PolarHBondContact O-N 3.41Å; S148-Y177 WeakPolarHBondContact CB-OH 3.33Å; S148-Y177 PolarHBondContact OG-OH 3.41Å
149	N	97.7	Very high	96.2	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-39.2	175.4	-72.8	7	0	0	0	111.8	N113 Y128 V145 L146 F147 A152 A153 R179	N113-N149 PolarHBondContact OD1-ND2 3.04Å; N113-N149 VanDerWaalsContact OD1-ND2 3.12Å; Y128-N149 HydrophobicContact CD1-CB 3.99Å; Y128-N149 HydrophobicContact CD2-CB 4.16Å; Y128-N149 HydrophobicContact CE1-CB 3.68Å; Y128-N149 HydrophobicContact CE2-CB 3.86Å; Y128-N149 WeakPolarHBondContact CE2-O 3.45Å; Y128-N149 HydrophobicContact CG-CB 4.22Å; V145-N149 WeakPolarHBondContact O-CB 3.37Å; V145-N149 PolarHBondContact O-N 2.97Å; V145-N149 PolarHBondContact O-OD1 3.41Å; L146-N149 PolarHBondContact O-N 2.72Å; F147-N149 PolarHBondContact O-N 3.15Å; N149-A152 VanDerWaalsContact O-CB 3.25Å; N149-A152 WeakPolarHBondContact O-CB 3.48Å; N149-A152 PolarHBondContact O-N 2.96Å; N149-A153 PolarHBondContact O-N 3.33Å; N149-A153 VanDerWaalsContact O-N 3.12Å; N149-R179 PolarHBondContact OD1-NH2 3.46Å
150	R	97.9	Very high	96.3	Very high	9 Å²	9	36.1 Å²	36.1	3%	0.034	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-39	172.9	-167.3	173	65.3	178.9	0.2	111.9	E125 Y128 T129 L146 F147 A152 A153 R154 D166	E125-R150 HydrophobicContact CG-CG 3.74Å; Y128-R150 HydrophobicContact CD2-CB 4.29Å; Y128-R150 HydrophobicContact CG-CB 4.44Å; T129-R150 WeakPolarHBondContact OG1-CD 3.46Å; T129-R150 PolarHBondContact OG1-NH1 3.35Å; T129-R150 VanDerWaalsContact OG1-NH1 3.13Å; L146-R150 WeakPolarHBondContact O-CB 3.45Å; L146-R150 PolarHBondContact O-N 3.34Å; F147-R150 PolarHBondContact O-N 3.39Å; R150-A152 VanDerWaalsContact C-N 3.25Å; R150-A152 PolarHBondContact O-N 3.46Å; R150-A153 PolarHBondContact O-N 2.89Å; R150-R154 WeakPolarHBondContact O-CB 3.45Å; R150-R154 WeakPolarHBondContact O-CG 3.14Å; R150-R154 PolarHBondContact O-N 2.97Å; R150-D166 WeakPolarHBondContact CG-OD2 3.41Å; R150-D166 IonicContact CZ-OD1 2.69Å; R150-D166 IonicContact CZ-OD2 3.68Å; R150-D166 IonicContact NE-OD1 3.44Å; R150-D166 PolarHBondContact NE-OD1 2.97Å; R150-D166 IonicContact NE-OD2 3.68Å; R150-D166 PolarHBondContact NE-OD2 3.18Å; R150-D166 IonicContact NH2-OD1 3.41Å; R150-D166 PolarHBondContact NH2-OD1 3.5Å; R150-D166 IonicContact NH2-OD2 3.64Å
151	A	97.9	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-37.5	171.7	0	0	0	0	0	111.9	F147 S148 R154 L155 A163 D166 C167	F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 3.06Å; S148-A151 WeakPolarHBondContact O-CB 3.49Å; S148-A151 PolarHBondContact O-N 3.23Å; A151-R154 PolarHBondContact O-N 3.47Å; A151-L155 WeakPolarHBondContact O-CB 3.42Å; A151-L155 PolarHBondContact O-N 3.18Å; A151-A163 HydrophobicContact CB-CB 4.29Å; A151-A163 WeakPolarHBondContact CB-O 3.48Å; A151-D166 HydrophobicContact CB-CB 3.75Å; A151-C167 VanDerWaalsContact CB-SG 3.56Å
152	A	96.9	Very high	96.4	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-49.1	173.9	0	0	0	0	0	111.6	F116 S148 N149 R150 R154 L155 H156	F116-A152 HydrophobicContact CE2-CB 3.64Å; F116-A152 HydrophobicContact CZ-CB 3.8Å; S148-A152 PolarHBondContact O-N 3.41Å; N149-A152 VanDerWaalsContact O-CB 3.25Å; N149-A152 WeakPolarHBondContact O-CB 3.48Å; N149-A152 PolarHBondContact O-N 2.96Å; R150-A152 VanDerWaalsContact C-N 3.25Å; R150-A152 PolarHBondContact O-N 3.46Å; A152-R154 VanDerWaalsContact C-N 3.34Å; A152-R154 PolarHBondContact O-N 3.3Å; A152-L155 WeakPolarHBondContact O-CB 3.36Å; A152-L155 PolarHBondContact O-N 3.29Å; A152-H156 PolarHBondContact O-CD2 3.3Å; A152-H156 VanDerWaalsContact O-CD2 3.29Å; A152-H156 PolarHBondContact O-N 3.34Å
153	A	97.4	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-45.1	177.7	0	0	0	0	0	111.5	F116 A124 E125 Y128 N149 R150 L155 H156 L157	F116-A153 HydrophobicContact CD2-CB 4.23Å; F116-A153 HydrophobicContact CE2-CB 4.42Å; A124-A153 HydrophobicContact CB-CB 4.36Å; E125-A153 HydrophobicContact CB-CB 4.08Å; Y128-A153 HydrophobicContact CE2-CB 4.45Å; N149-A153 PolarHBondContact O-N 3.33Å; N149-A153 VanDerWaalsContact O-N 3.12Å; R150-A153 PolarHBondContact O-N 2.89Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 3.22Å; A153-H156 PolarHBondContact O-N 3.46Å; A153-H156 VanDerWaalsContact O-N 3.14Å; A153-L157 WeakPolarHBondContact O-CG 3.25Å; A153-L157 PolarHBondContact O-N 2.89Å; A153-L157 VanDerWaalsContact O-N 3.16Å
154	R	97.1	Very high	96.6	Very high	25 Å²	25	31.4 Å²	31.4	9%	0.094	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-35.1	177.6	-75.1	168.8	168.7	-171.3	-8.4	113.5	E125 R150 A151 A152 H156 L157 E158 L159 E162 A163 D166	E125-R154 HydrophobicContact CG-CG 4.07Å; E125-R154 IonicContact OE1-CZ 2.73Å; E125-R154 VanDerWaalsContact OE1-CZ 3.29Å; E125-R154 IonicContact OE1-NE 2.76Å; E125-R154 PolarHBondContact OE1-NE 2.73Å; E125-R154 IonicContact OE1-NH2 3.14Å; E125-R154 PolarHBondContact OE1-NH2 2.96Å; R150-R154 WeakPolarHBondContact O-CB 3.45Å; R150-R154 WeakPolarHBondContact O-CG 3.14Å; R150-R154 PolarHBondContact O-N 2.97Å; A151-R154 PolarHBondContact O-N 3.47Å; A152-R154 VanDerWaalsContact C-N 3.34Å; A152-R154 PolarHBondContact O-N 3.3Å; R154-H156 VanDerWaalsContact C-N 3.3Å; R154-H156 PolarHBondContact O-N 3.26Å; R154-L157 CarbonylContact O-C 3.4Å; R154-L157 PolarHBondContact O-N 3.08Å; R154-L157 VanDerWaalsContact O-N 3.12Å; R154-E158 PolarHBondContact O-N 3.33Å; R154-L159 HydrophobicContact CB-CB 4.03Å; R154-L159 HydrophobicContact CG-CB 4.32Å; R154-L159 HydrophobicContact CG-CD1 4.28Å; R154-L159 PolarHBondContact O-N 3.35Å; R154-E162 HydrophobicContact CG-CB 4.44Å; R154-A163 HydrophobicContact CB-CB 3.83Å; R154-D166 WeakPolarHBondContact CD-OD2 3.44Å; R154-D166 IonicContact CZ-OD2 2.64Å; R154-D166 IonicContact NE-OD2 3.57Å; R154-D166 IonicContact NH1-OD1 2.72Å; R154-D166 PolarHBondContact NH1-OD1 3.01Å; R154-D166 VanDerWaalsContact NH1-OD1 3.15Å; R154-D166 IonicContact NH1-OD2 2.88Å; R154-D166 PolarHBondContact NH1-OD2 3.1Å
155	L	95.1	Very high	96.6	Very high	16 Å²	16	33 Å²	33	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-41.3	173.2	175.9	68.5	0	0	0	111.5	A151 A152 A153 L157 E158 L187 K190	A151-L155 WeakPolarHBondContact O-CB 3.42Å; A151-L155 PolarHBondContact O-N 3.18Å; A152-L155 WeakPolarHBondContact O-CB 3.36Å; A152-L155 PolarHBondContact O-N 3.29Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 3.22Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L155-E158 PolarHBondContact O-N 3.09Å; L155-L187 HydrophobicContact CD1-CD2 3.36Å; L155-L187 HydrophobicContact CD1-CG 3.96Å; L155-L187 HydrophobicContact CG-CD2 4.48Å; L155-K190 HydrophobicContact CD1-CD 3.98Å
156	H	95.1	Very high	96.6	Very high	67 Å²	67	32.9 Å²	32.9	31%	0.31	16%	0.163	S	C	.	.	H	α-helix	trans	-72.5	-22.8	175.8	-74.9	-76.2	0	0	0	113.6	F116 W121 A152 A153 R154 E158	F116-H156 AromaticContact CE2-CD2 3.73Å; F116-H156 AromaticContact CZ-CD2 3.66Å; F116-H156 AromaticContact CZ-NE2 3.68Å; W121-H156 HydrophobicContact CB-CB 4.17Å; W121-H156 HydrophobicContact CD2-CB 3.65Å; W121-H156 AromaticContact CD2-CG 3.81Å; W121-H156 AromaticContact CE2-CG 3.74Å; W121-H156 AromaticContact CE2-ND1 3.93Å; W121-H156 HydrophobicContact CE3-CB 4.28Å; W121-H156 AromaticContact CE3-CD2 3.9Å; W121-H156 HydrophobicContact CG-CB 3.56Å; W121-H156 AromaticContact CH2-NE2 3.99Å; W121-H156 AromaticContact CZ2-ND1 3.88Å; W121-H156 AromaticContact CZ3-CD2 3.89Å; A152-H156 PolarHBondContact O-CD2 3.3Å; A152-H156 VanDerWaalsContact O-CD2 3.29Å; A152-H156 PolarHBondContact O-N 3.34Å; A153-H156 PolarHBondContact O-N 3.46Å; A153-H156 VanDerWaalsContact O-N 3.14Å; R154-H156 VanDerWaalsContact C-N 3.3Å; R154-H156 PolarHBondContact O-N 3.26Å; H156-E158 VanDerWaalsContact C-N 3.29Å
157	L	95.6	Very high	96.6	Very high	57 Å²	57	32.8 Å²	32.8	30%	0.298	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	6.1	174.5	-63.6	170.7	0	0	0	113.2	W121 K122 E125 A153 R154 L155 L159	W121-L157 HydrophobicContact CB-CD1 4.46Å; W121-L157 HydrophobicContact CB-CD2 3.95Å; W121-L157 HydrophobicContact CB-CG 3.96Å; K122-L157 HydrophobicContact CB-CD2 4.38Å; E125-L157 HydrophobicContact CB-CD1 4.4Å; A153-L157 WeakPolarHBondContact O-CG 3.25Å; A153-L157 PolarHBondContact O-N 2.89Å; A153-L157 VanDerWaalsContact O-N 3.16Å; R154-L157 CarbonylContact O-C 3.4Å; R154-L157 PolarHBondContact O-N 3.08Å; R154-L157 VanDerWaalsContact O-N 3.12Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L157-L159 HydrophobicContact CB-CD1 4.08Å; L157-L159 HydrophobicContact CB-CG 4Å; L157-L159 HydrophobicContact CD1-CD1 4.31Å; L157-L159 PolarHBondContact O-N 3Å; L157-L159 VanDerWaalsContact O-N 3.15Å
158	E	94.3	Very high	96.6	Very high	164 Å²	164	34 Å²	34	77%	0.766	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	16	-175.4	-52.9	-168.5	157.9	0	0	115.1	R154 L155 H156 K160	R154-E158 PolarHBondContact O-N 3.33Å; L155-E158 PolarHBondContact O-N 3.09Å; H156-E158 VanDerWaalsContact C-N 3.29Å; E158-K160 PolarHBondContact O-N 2.94Å
159	L	95.4	Very high	96.6	Very high	61 Å²	61	36 Å²	36	32%	0.319	18%	0.178	S	C	.	.			trans	-81.9	66.5	175.9	-61.8	178.4	0	0	0	110.5	R154 L157 E162 A163	R154-L159 HydrophobicContact CB-CB 4.03Å; R154-L159 HydrophobicContact CG-CB 4.32Å; R154-L159 HydrophobicContact CG-CD1 4.28Å; R154-L159 PolarHBondContact O-N 3.35Å; L157-L159 HydrophobicContact CB-CD1 4.08Å; L157-L159 HydrophobicContact CB-CG 4Å; L157-L159 HydrophobicContact CD1-CD1 4.31Å; L157-L159 PolarHBondContact O-N 3Å; L157-L159 VanDerWaalsContact O-N 3.15Å; L159-E162 WeakPolarHBondContact CA-OE2 3.43Å; L159-E162 HydrophobicContact CB-CB 4.13Å; L159-E162 HydrophobicContact CB-CG 4.11Å; L159-E162 WeakPolarHBondContact CB-OE2 3.47Å; L159-A163 WeakPolarHBondContact O-CB 3.28Å; L159-A163 PolarHBondContact O-N 3.46Å
160	K	94.6	Very high	96.6	Very high	84 Å²	84	35.6 Å²	35.6	37%	0.365	18%	0.176	S	C	.	.	H	α-helix	trans	-63	-44	-169.3	-67	-178.8	-175.6	176.1	0	113	E158 A163 I164 L187 K190	E158-K160 PolarHBondContact O-N 2.94Å; K160-A163 PolarHBondContact O-N 2.72Å; K160-I164 VanDerWaalsContact O-CG1 3.28Å; K160-I164 WeakPolarHBondContact O-CG1 3.47Å; K160-I164 PolarHBondContact O-N 3.36Å; K160-L187 HydrophobicContact CB-CD2 4.3Å; K160-L187 HydrophobicContact CG-CD2 4.35Å; K160-K190 PolarHBondContact NZ-O 3.27Å
161	D	95.4	Very high	96.5	Very high	103 Å²	103	36.1 Å²	36.1	55%	0.551	18%	0.179	S	C	*	.	H	α-helix	trans	-71.2	-38.4	-176.1	-72.6	-38.6	0	0	0	111.5	I164 S165	D161-I164 PolarHBondContact O-N 3.43Å; D161-S165 WeakPolarHBondContact O-CB 3.45Å; D161-S165 PolarHBondContact O-N 3.42Å
162	E	95.9	Very high	96.5	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-45.1	171.6	-60.9	59.7	-146.8	0	0	111.1	R78 R154 L159 S165 D166	R78-E162 IonicContact CZ-OE1 3.29Å; R78-E162 IonicContact NH1-OE1 2.91Å; R78-E162 PolarHBondContact NH1-OE1 3.42Å; R78-E162 VanDerWaalsContact NH2-CG 3.34Å; R78-E162 IonicContact NH2-OE1 2.67Å; R154-E162 HydrophobicContact CG-CB 4.44Å; L159-E162 WeakPolarHBondContact CA-OE2 3.43Å; L159-E162 HydrophobicContact CB-CB 4.13Å; L159-E162 HydrophobicContact CB-CG 4.11Å; L159-E162 WeakPolarHBondContact CB-OE2 3.47Å; E162-S165 PolarHBondContact O-N 3.43Å; E162-D166 PolarHBondContact O-N 2.84Å
163	A	97.2	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-39.9	178.9	0	0	0	0	0	111.8	A151 R154 L159 K160 D166 C167 L187	A151-A163 HydrophobicContact CB-CB 4.29Å; A151-A163 WeakPolarHBondContact CB-O 3.48Å; R154-A163 HydrophobicContact CB-CB 3.83Å; L159-A163 WeakPolarHBondContact O-CB 3.28Å; L159-A163 PolarHBondContact O-N 3.46Å; K160-A163 PolarHBondContact O-N 2.72Å; A163-D166 PolarHBondContact O-N 2.92Å; A163-C167 WeakPolarHBondContact O-CB 3.47Å; A163-C167 PolarHBondContact O-N 2.9Å; A163-C167 PolarHBondContact O-SG 3.15Å; A163-L187 HydrophobicContact CB-CD1 3.53Å; A163-L187 HydrophobicContact CB-CD2 3.85Å; A163-L187 HydrophobicContact CB-CG 4.36Å
164	I	97.8	Very high	96.3	Very high	14 Å²	14	45 Å²	45	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.6	-71.2	166.5	0	0	0	111	K160 D161 C167 S168 R184 L187 Y188	K160-I164 VanDerWaalsContact O-CG1 3.28Å; K160-I164 WeakPolarHBondContact O-CG1 3.47Å; K160-I164 PolarHBondContact O-N 3.36Å; D161-I164 PolarHBondContact O-N 3.43Å; I164-C167 PolarHBondContact O-N 3.06Å; I164-S168 WeakPolarHBondContact O-CB 3.48Å; I164-S168 PolarHBondContact O-N 2.91Å; I164-S168 PolarHBondContact O-OG 3.47Å; I164-R184 HydrophobicContact CG2-CG 4.41Å; I164-L187 HydrophobicContact CD1-CB 4.16Å; I164-L187 HydrophobicContact CG1-CB 3.63Å; I164-L187 HydrophobicContact CG1-CD1 4.1Å; I164-L187 HydrophobicContact CG1-CG 4.31Å; I164-Y188 HydrophobicContact CD1-CD1 3.88Å; I164-Y188 HydrophobicContact CD1-CE1 3.98Å; I164-Y188 HydrophobicContact CG1-CD1 4.36Å; I164-Y188 HydrophobicContact CG1-CE1 4.27Å; I164-Y188 HydrophobicContact CG2-CE1 3.65Å
165	S	96.8	Very high	96.2	Very high	35 Å²	35	48 Å²	48	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-48.1	176.1	-177.8	0	0	0	0	110.9	D161 E162 C167 S168 R169	D161-S165 WeakPolarHBondContact O-CB 3.45Å; D161-S165 PolarHBondContact O-N 3.42Å; E162-S165 PolarHBondContact O-N 3.43Å; S165-C167 PolarHBondContact O-N 3.14Å; S165-S168 WeakPolarHBondContact O-CB 3.42Å; S165-S168 PolarHBondContact O-N 3.01Å; S165-S168 VanDerWaalsContact O-N 3.14Å; S165-R169 PolarHBondContact O-N 3.41Å
166	D	97.5	Very high	96	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-45.6	176.2	-82.8	-12.3	0	0	0	112.4	F147 R150 A151 R154 E162 A163 S168 R169 A170	F147-D166 HydrophobicContact CB-CB 4.47Å; F147-D166 WeakPolarHBondContact CB-O 3.32Å; F147-D166 HydrophobicContact CD1-CB 4.45Å; F147-D166 WeakPolarHBondContact CD1-OD1 3.48Å; F147-D166 WeakPolarHBondContact O-CB 3.43Å; R150-D166 WeakPolarHBondContact CG-OD2 3.41Å; R150-D166 IonicContact CZ-OD1 2.69Å; R150-D166 IonicContact CZ-OD2 3.68Å; R150-D166 IonicContact NE-OD1 3.44Å; R150-D166 PolarHBondContact NE-OD1 2.97Å; R150-D166 IonicContact NE-OD2 3.68Å; R150-D166 PolarHBondContact NE-OD2 3.18Å; R150-D166 IonicContact NH2-OD1 3.41Å; R150-D166 PolarHBondContact NH2-OD1 3.5Å; R150-D166 IonicContact NH2-OD2 3.64Å; A151-D166 HydrophobicContact CB-CB 3.75Å; R154-D166 WeakPolarHBondContact CD-OD2 3.44Å; R154-D166 IonicContact CZ-OD2 2.64Å; R154-D166 IonicContact NE-OD2 3.57Å; R154-D166 IonicContact NH1-OD1 2.72Å; R154-D166 PolarHBondContact NH1-OD1 3.01Å; R154-D166 VanDerWaalsContact NH1-OD1 3.15Å; R154-D166 IonicContact NH1-OD2 2.88Å; R154-D166 PolarHBondContact NH1-OD2 3.1Å; E162-D166 PolarHBondContact O-N 2.84Å; A163-D166 PolarHBondContact O-N 2.92Å; D166-S168 VanDerWaalsContact C-N 3.27Å; D166-S168 PolarHBondContact O-N 2.88Å; D166-R169 PolarHBondContact O-N 3.28Å; D166-A170 WeakPolarHBondContact O-CB 3.36Å; D166-A170 PolarHBondContact O-N 3.36Å
167	C	98.1	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-39.6	174.9	-77	0	0	0	0	112.1	A151 A163 I164 S165 A170 I171 R184	A151-C167 VanDerWaalsContact CB-SG 3.56Å; A163-C167 WeakPolarHBondContact O-CB 3.47Å; A163-C167 PolarHBondContact O-N 2.9Å; A163-C167 PolarHBondContact O-SG 3.15Å; I164-C167 PolarHBondContact O-N 3.06Å; S165-C167 PolarHBondContact O-N 3.14Å; C167-A170 WeakPolarHBondContact O-CB 3.26Å; C167-A170 PolarHBondContact O-N 3.5Å; C167-I171 WeakPolarHBondContact O-CD1 3.5Å; C167-I171 VanDerWaalsContact O-CG1 3.26Å; C167-I171 WeakPolarHBondContact O-CG1 3.3Å; C167-I171 PolarHBondContact O-N 3.04Å; C167-R184 HydrophobicContact CB-CB 3.7Å; C167-R184 HydrophobicContact CB-CG 3.88Å
168	S	97.9	Very high	95.9	Very high	26 Å²	26	49.7 Å²	49.7	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-44.3	177.8	-58.5	0	0	0	0	111.4	I164 S165 D166 A170 I171 D172 R184	I164-S168 WeakPolarHBondContact O-CB 3.48Å; I164-S168 PolarHBondContact O-N 2.91Å; I164-S168 PolarHBondContact O-OG 3.47Å; S165-S168 WeakPolarHBondContact O-CB 3.42Å; S165-S168 PolarHBondContact O-N 3.01Å; S165-S168 VanDerWaalsContact O-N 3.14Å; D166-S168 VanDerWaalsContact C-N 3.27Å; D166-S168 PolarHBondContact O-N 2.88Å; S168-A170 VanDerWaalsContact C-N 3.3Å; S168-A170 PolarHBondContact O-N 3.08Å; S168-I171 PolarHBondContact O-N 2.96Å; S168-I171 VanDerWaalsContact O-N 3.15Å; S168-D172 VanDerWaalsContact O-CG 3.24Å; S168-D172 PolarHBondContact O-N 3.37Å; S168-R184 WeakPolarHBondContact OG-CD 3.4Å; S168-R184 PolarHBondContact OG-NH1 3.31Å
169	R	96.4	Very high	95.9	Very high	40 Å²	40	44 Å²	44	15%	0.151	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-39.2	172.7	-70.2	-162.9	65.9	171.6	-3.2	112.5	F81 D83 F147 S165 D166 I171 D172 L173	F81-R169 PolarHBondContact O-NH1 2.86Å; D83-R169 IonicContact OD1-CZ 2.61Å; D83-R169 IonicContact OD1-NH2 3.33Å; D83-R169 PolarHBondContact OD1-NH2 3.41Å; D83-R169 IonicContact OD2-CZ 3.93Å; D83-R169 IonicContact OD2-NH2 3.91Å; D83-R169 PolarHBondContact OD2-NH2 3.46Å; F147-R169 HydrophobicContact CD1-CB 4.15Å; F147-R169 HydrophobicContact CD2-CB 4.11Å; F147-R169 HydrophobicContact CE1-CB 4.33Å; F147-R169 HydrophobicContact CE2-CB 4.3Å; F147-R169 HydrophobicContact CG-CB 4.07Å; F147-R169 HydrophobicContact CZ-CB 4.43Å; S165-R169 PolarHBondContact O-N 3.41Å; D166-R169 PolarHBondContact O-N 3.28Å; R169-I171 VanDerWaalsContact C-N 3.34Å; R169-D172 PolarHBondContact O-N 3.11Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.49Å; R169-L173 PolarHBondContact O-N 2.87Å; R169-L173 VanDerWaalsContact O-N 3.11Å
170	A	97.5	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-42.2	175.7	0	0	0	0	0	111.9	A144 F147 D166 C167 S168 L173 D174 Y177 A180	A144-A170 HydrophobicContact CB-CB 4.36Å; A144-A170 WeakPolarHBondContact CB-O 3.43Å; A144-A170 VanDerWaalsContact O-CB 3.3Å; A144-A170 WeakPolarHBondContact O-CB 3.3Å; F147-A170 HydrophobicContact CB-CB 3.91Å; D166-A170 WeakPolarHBondContact O-CB 3.36Å; D166-A170 PolarHBondContact O-N 3.36Å; C167-A170 WeakPolarHBondContact O-CB 3.26Å; C167-A170 PolarHBondContact O-N 3.5Å; S168-A170 VanDerWaalsContact C-N 3.3Å; S168-A170 PolarHBondContact O-N 3.08Å; A170-L173 PolarHBondContact O-N 2.95Å; A170-D174 PolarHBondContact O-N 2.65Å; A170-Y177 HydrophobicContact CB-CD1 4.24Å; A170-A180 HydrophobicContact CB-CB 3.77Å
171	I	97.4	Very high	96.1	Very high	20 Å²	20	37.3 Å²	37.3	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-70.8	-35.6	178.3	-67.1	159.9	0	0	0	111.6	C167 S168 R169 L173 D174 P175 A180 L181	C167-I171 WeakPolarHBondContact O-CD1 3.5Å; C167-I171 VanDerWaalsContact O-CG1 3.26Å; C167-I171 WeakPolarHBondContact O-CG1 3.3Å; C167-I171 PolarHBondContact O-N 3.04Å; S168-I171 PolarHBondContact O-N 2.96Å; S168-I171 VanDerWaalsContact O-N 3.15Å; R169-I171 VanDerWaalsContact C-N 3.34Å; I171-L173 VanDerWaalsContact C-N 3.28Å; I171-L173 PolarHBondContact O-N 2.91Å; I171-D174 CarbonylContact O-C 3.59Å; I171-P175 VanDerWaalsContact O-CA 3.24Å; I171-P175 WeakPolarHBondContact O-CA 3.41Å; I171-P175 WeakPolarHBondContact O-CD 3.3Å; I171-P175 WeakPolarHBondContact O-CG 3.48Å; I171-A180 HydrophobicContact CD1-CB 4.39Å; I171-A180 HydrophobicContact CG1-CB 3.85Å; I171-L181 HydrophobicContact CD1-CD2 3.72Å; I171-L181 HydrophobicContact CD1-CG 4.11Å; I171-L181 HydrophobicContact CG1-CD2 4.2Å; I171-L181 HydrophobicContact CG1-CG 4.24Å
172	D	96.4	Very high	96.2	Very high	129 Å²	129	34.2 Å²	34.2	69%	0.69	18%	0.18	S	C	*	.	H	α-helix	trans	-65	-35.1	175.6	-68.5	-23.2	0	0	0	111.7	S168 R169	S168-D172 VanDerWaalsContact O-CG 3.24Å; S168-D172 PolarHBondContact O-N 3.37Å; R169-D172 PolarHBondContact O-N 3.11Å
173	L	95.6	Very high	96.3	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.225	17%	0.174	C	C	.	.	H	α-helix	trans	-80.1	-38.7	177	-70.3	171.6	0	0	0	113.1	R143 A144 F147 R169 A170 I171	R143-L173 HydrophobicContact CB-CD1 3.68Å; A144-L173 HydrophobicContact CB-CB 3.97Å; F147-L173 HydrophobicContact CD2-CD1 3.67Å; F147-L173 HydrophobicContact CE2-CD1 3.66Å; R169-L173 VanDerWaalsContact O-CG 3.3Å; R169-L173 WeakPolarHBondContact O-CG 3.49Å; R169-L173 PolarHBondContact O-N 2.87Å; R169-L173 VanDerWaalsContact O-N 3.11Å; A170-L173 PolarHBondContact O-N 2.95Å; I171-L173 VanDerWaalsContact C-N 3.28Å; I171-L173 PolarHBondContact O-N 2.91Å
174	D	95.4	Very high	96.3	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.091	18%	0.179	C	C	.	.			trans	-138.8	92.1	177	-171.9	-2.8	0	0	0	110.9	A144 A170 I171 E176 Y177	A144-D174 HydrophobicContact CB-CB 3.74Å; A170-D174 PolarHBondContact O-N 2.65Å; I171-D174 CarbonylContact O-C 3.59Å; D174-E176 PolarHBondContact O-N 2.91Å; D174-E176 VanDerWaalsContact O-N 3.1Å; D174-E176 PolarHBondContact OD1-N 2.75Å; D174-E176 VanDerWaalsContact OD1-N 3.12Å; D174-Y177 VanDerWaalsContact O-CB 3.3Å; D174-Y177 WeakPolarHBondContact O-CB 3.42Å; D174-Y177 PolarHBondContact O-N 3.1Å; D174-Y177 VanDerWaalsContact O-N 3.07Å
175	P	94.3	Very high	96.3	Very high	90 Å²	90	33.8 Å²	33.8	58%	0.584	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.5	-180	-24.7	34.5	0	0	0	114.4	I171	I171-P175 VanDerWaalsContact O-CA 3.24Å; I171-P175 WeakPolarHBondContact O-CA 3.41Å; I171-P175 WeakPolarHBondContact O-CD 3.3Å; I171-P175 WeakPolarHBondContact O-CG 3.48Å
176	E	90.4	Very high	96.3	Very high	125 Å²	125	34.5 Å²	34.5	58%	0.584	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.1	179.4	-59.3	-167.8	146.7	0	0	112.3	D174 L178	D174-E176 PolarHBondContact O-N 2.91Å; D174-E176 VanDerWaalsContact O-N 3.1Å; D174-E176 PolarHBondContact OD1-N 2.75Å; D174-E176 VanDerWaalsContact OD1-N 3.12Å; E176-L178 PolarHBondContact O-N 3.08Å
177	Y	94.3	Very high	96.3	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.174	C	C	.	.			trans	-74.3	86.8	-177.2	-172.2	-158.1	0	0	0	112.5	Y16 A144 V145 S148 A170 D174 R179 A180 L181	Y16-Y177 HydrophobicContact CD1-CE2 4.01Å; Y16-Y177 AromaticContact CE1-CD2 3.56Å; Y16-Y177 HydrophobicContact CE1-CD2 3.56Å; Y16-Y177 AromaticContact CE1-CE2 3.27Å; Y16-Y177 HydrophobicContact CE1-CE2 3.27Å; Y16-Y177 AromaticContact CZ-CD2 3.95Å; Y16-Y177 AromaticContact CZ-CE2 3.97Å; Y16-Y177 WeakPolarHBondContact OH-CD2 3.37Å; A144-Y177 HydrophobicContact CB-CD1 4.14Å; A144-Y177 WeakPolarHBondContact O-CE1 3.5Å; V145-Y177 HydrophobicContact CG2-CE1 4.28Å; V145-Y177 HydrophobicContact CG2-CE2 4.5Å; S148-Y177 WeakPolarHBondContact CB-OH 3.33Å; S148-Y177 PolarHBondContact OG-OH 3.41Å; A170-Y177 HydrophobicContact CB-CD1 4.24Å; D174-Y177 VanDerWaalsContact O-CB 3.3Å; D174-Y177 WeakPolarHBondContact O-CB 3.42Å; D174-Y177 PolarHBondContact O-N 3.1Å; D174-Y177 VanDerWaalsContact O-N 3.07Å; Y177-R179 HydrophobicContact CD2-CB 4.1Å; Y177-R179 HydrophobicContact CE2-CB 3.56Å; Y177-R179 PolarHBondContact O-N 3.09Å; Y177-R179 VanDerWaalsContact O-N 3.12Å; Y177-A180 HydrophobicContact CD1-CB 3.57Å; Y177-A180 HydrophobicContact CE1-CB 4.07Å; Y177-A180 HydrophobicContact CG-CB 4.09Å; Y177-A180 PolarHBondContact O-N 3.26Å; Y177-L181 PolarHBondContact O-N 3.37Å
178	L	95.2	Very high	96.3	Very high	48 Å²	48	35.8 Å²	35.8	25%	0.251	18%	0.18	S	C	.	.	H	α-helix	trans	-54.9	-34.9	-175.4	-60.1	-177.3	0	0	0	113.6	E176 A180 L181 L182 R207 D208	E176-L178 PolarHBondContact O-N 3.08Å; L178-A180 VanDerWaalsContact C-N 3.33Å; L178-A180 PolarHBondContact O-N 2.85Å; L178-L181 HydrophobicContact CD2-CD1 4.34Å; L178-L181 PolarHBondContact O-N 3.27Å; L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3Å; L178-R207 HydrophobicContact CD1-CB 4.43Å; L178-R207 HydrophobicContact CD2-CB 3.64Å; L178-R207 HydrophobicContact CD2-CG 3.97Å; L178-D208 HydrophobicContact CD1-CB 4.21Å
179	R	94.4	Very high	96.2	Very high	44 Å²	44	36.5 Å²	36.5	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-35.6	-179.2	-153.8	165.7	82.1	171.8	6.8	112.1	Y16 N149 Y177 R183	Y16-R179 PolarHBondContact O-NH1 2.87Å; N149-R179 PolarHBondContact OD1-NH2 3.46Å; Y177-R179 HydrophobicContact CD2-CB 4.1Å; Y177-R179 HydrophobicContact CE2-CB 3.56Å; Y177-R179 PolarHBondContact O-N 3.09Å; Y177-R179 VanDerWaalsContact O-N 3.12Å; R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 PolarHBondContact O-N 3.3Å; R179-R183 VanDerWaalsContact O-N 3.09Å
180	A	96.8	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-40.9	174.6	0	0	0	0	0	111.7	A170 I171 Y177 L178 R183 R184	A170-A180 HydrophobicContact CB-CB 3.77Å; I171-A180 HydrophobicContact CD1-CB 4.39Å; I171-A180 HydrophobicContact CG1-CB 3.85Å; Y177-A180 HydrophobicContact CD1-CB 3.57Å; Y177-A180 HydrophobicContact CE1-CB 4.07Å; Y177-A180 HydrophobicContact CG-CB 4.09Å; Y177-A180 PolarHBondContact O-N 3.26Å; L178-A180 VanDerWaalsContact C-N 3.33Å; L178-A180 PolarHBondContact O-N 2.85Å; A180-R183 PolarHBondContact O-N 3.43Å; A180-R184 WeakPolarHBondContact O-CB 3.37Å; A180-R184 PolarHBondContact O-N 3.06Å
181	L	97.6	Very high	95.9	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-48.2	174.4	-74.3	166.3	0	0	0	111.9	I171 Y177 L178 R184 A185 D200 K203 V204	I171-L181 HydrophobicContact CD1-CD2 3.72Å; I171-L181 HydrophobicContact CD1-CG 4.11Å; I171-L181 HydrophobicContact CG1-CD2 4.2Å; I171-L181 HydrophobicContact CG1-CG 4.24Å; Y177-L181 PolarHBondContact O-N 3.37Å; L178-L181 HydrophobicContact CD2-CD1 4.34Å; L178-L181 PolarHBondContact O-N 3.27Å; L181-R184 PolarHBondContact O-N 3.38Å; L181-A185 WeakPolarHBondContact O-CB 3.45Å; L181-A185 PolarHBondContact O-N 3.29Å; L181-D200 HydrophobicContact CD2-CB 4.4Å; L181-K203 HydrophobicContact CD1-CB 4.2Å; L181-K203 HydrophobicContact CD2-CB 4.37Å; L181-K203 HydrophobicContact CD2-CD 4.13Å; L181-V204 HydrophobicContact CB-CG2 3.73Å; L181-V204 HydrophobicContact CD1-CG2 4.45Å
182	L	97.7	Very high	95.7	Very high	38 Å²	38	47.4 Å²	47.4	20%	0.199	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-47	178.2	-76.4	166.1	0	0	0	112.1	L178 A185 E186 Y201 V204 H211 A214	L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3Å; L182-A185 PolarHBondContact O-N 2.95Å; L182-E186 PolarHBondContact O-N 3.33Å; L182-Y201 HydrophobicContact CD2-CD1 4.2Å; L182-Y201 HydrophobicContact CD2-CE1 4.01Å; L182-V204 HydrophobicContact CD2-CB 4.44Å; L182-V204 HydrophobicContact CD2-CG1 3.99Å; L182-V204 HydrophobicContact CD2-CG2 3.94Å; L182-V204 HydrophobicContact CG-CG1 4.26Å; L182-V204 HydrophobicContact CG-CG2 3.86Å; L182-H211 WeakPolarHBondContact CD1-NE2 3.35Å; L182-A214 HydrophobicContact CD2-CB 4.41Å
183	R	97.1	Very high	95.7	Very high	17 Å²	17	44.8 Å²	44.8	6%	0.064	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-40.2	179.9	-170	175.9	-62.1	-74.1	-1	111.6	D20 R179 A180 E186 L187	D20-R183 IonicContact OD2-CZ 3.18Å; D20-R183 IonicContact OD2-NH1 3.53Å; D20-R183 PolarHBondContact OD2-NH1 3.47Å; D20-R183 IonicContact OD2-NH2 3.62Å; D20-R183 PolarHBondContact OD2-NH2 3.48Å; D20-R183 VanDerWaalsContact OD2-NH2 3.08Å; R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 PolarHBondContact O-N 3.3Å; R179-R183 VanDerWaalsContact O-N 3.09Å; A180-R183 PolarHBondContact O-N 3.43Å; R183-E186 PolarHBondContact O-N 3.09Å; R183-L187 HydrophobicContact CG-CD1 4.24Å; R183-L187 WeakPolarHBondContact O-CB 3.41Å; R183-L187 WeakPolarHBondContact O-CD1 3.24Å; R183-L187 WeakPolarHBondContact O-CG 3.43Å; R183-L187 PolarHBondContact O-N 2.87Å
184	R	98.4	Very high	95.8	Very high	27 Å²	27	43.7 Å²	43.7	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175.9	-157.5	171.8	62.9	-177.1	-4.4	112	I164 C167 S168 A180 L181 E186 L187 Y188 D200	I164-R184 HydrophobicContact CG2-CG 4.41Å; C167-R184 HydrophobicContact CB-CB 3.7Å; C167-R184 HydrophobicContact CB-CG 3.88Å; S168-R184 WeakPolarHBondContact OG-CD 3.4Å; S168-R184 PolarHBondContact OG-NH1 3.31Å; A180-R184 WeakPolarHBondContact O-CB 3.37Å; A180-R184 PolarHBondContact O-N 3.06Å; L181-R184 PolarHBondContact O-N 3.38Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.45Å; R184-L187 PolarHBondContact O-N 2.8Å; R184-Y188 HydrophobicContact CG-CD2 4.04Å; R184-Y188 HydrophobicContact CG-CE1 4.46Å; R184-Y188 HydrophobicContact CG-CE2 3.6Å; R184-Y188 WeakPolarHBondContact O-CB 3.44Å; R184-Y188 WeakPolarHBondContact O-CD2 3.43Å; R184-Y188 PolarHBondContact O-N 3.1Å; R184-D200 IonicContact CZ-OD1 3.15Å; R184-D200 IonicContact CZ-OD2 2.67Å; R184-D200 IonicContact NE-OD1 3.92Å; R184-D200 IonicContact NE-OD2 2.79Å; R184-D200 PolarHBondContact NE-OD2 3.31Å; R184-D200 IonicContact NH2-OD1 3.99Å; R184-D200 PolarHBondContact NH2-OD1 2.95Å; R184-D200 IonicContact NH2-OD2 3.74Å; R184-D200 PolarHBondContact NH2-OD2 3.05Å; R184-D200 VanDerWaalsContact NH2-OD2 3.13Å
185	A	98.1	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-44.7	176	0	0	0	0	0	111.5	L181 L182 Y188 E189 A197 D200 Y201	L181-A185 WeakPolarHBondContact O-CB 3.45Å; L181-A185 PolarHBondContact O-N 3.29Å; L182-A185 PolarHBondContact O-N 2.95Å; A185-Y188 PolarHBondContact O-N 3.12Å; A185-E189 WeakPolarHBondContact O-CG 3.43Å; A185-E189 PolarHBondContact O-N 3.15Å; A185-A197 WeakPolarHBondContact O-CB 3.3Å; A185-D200 HydrophobicContact CB-CB 3.78Å; A185-Y201 HydrophobicContact CB-CD1 3.91Å; A185-Y201 HydrophobicContact CB-CD2 3.83Å; A185-Y201 HydrophobicContact CB-CE1 3.67Å; A185-Y201 HydrophobicContact CB-CE2 3.57Å; A185-Y201 HydrophobicContact CB-CG 3.99Å; A185-Y201 VanDerWaalsContact CB-CZ 3.48Å
186	E	96.2	Very high	96.1	Very high	50 Å²	50	45.7 Å²	45.7	23%	0.234	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.8	-170	-164.5	153.4	0	0	112.2	L182 R183 R184 Y188 E189 K190	L182-E186 PolarHBondContact O-N 3.33Å; R183-E186 PolarHBondContact O-N 3.09Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.45Å; E186-Y188 VanDerWaalsContact C-N 3.31Å; E186-Y188 PolarHBondContact O-N 3.05Å; E186-E189 PolarHBondContact O-N 3.05Å; E186-K190 HydrophobicContact CG-CD 4.46Å; E186-K190 WeakPolarHBondContact O-CB 3.37Å; E186-K190 WeakPolarHBondContact O-CG 3.49Å; E186-K190 PolarHBondContact O-N 3.12Å; E186-K190 VanDerWaalsContact OE1-CE 3.3Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 2.72Å; E186-K190 PolarHBondContact OE1-NZ 2.89Å
187	L	97.1	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-39.5	175.1	-80.8	160	0	0	0	112.2	L155 K160 A163 I164 R183 R184 K190 S191	L155-L187 HydrophobicContact CD1-CD2 3.36Å; L155-L187 HydrophobicContact CD1-CG 3.96Å; L155-L187 HydrophobicContact CG-CD2 4.48Å; K160-L187 HydrophobicContact CB-CD2 4.3Å; K160-L187 HydrophobicContact CG-CD2 4.35Å; A163-L187 HydrophobicContact CB-CD1 3.53Å; A163-L187 HydrophobicContact CB-CD2 3.85Å; A163-L187 HydrophobicContact CB-CG 4.36Å; I164-L187 HydrophobicContact CD1-CB 4.16Å; I164-L187 HydrophobicContact CG1-CB 3.63Å; I164-L187 HydrophobicContact CG1-CD1 4.1Å; I164-L187 HydrophobicContact CG1-CG 4.31Å; R183-L187 HydrophobicContact CG-CD1 4.24Å; R183-L187 WeakPolarHBondContact O-CB 3.41Å; R183-L187 WeakPolarHBondContact O-CD1 3.24Å; R183-L187 WeakPolarHBondContact O-CG 3.43Å; R183-L187 PolarHBondContact O-N 2.87Å; R184-L187 PolarHBondContact O-N 2.8Å; L187-K190 PolarHBondContact O-N 3.07Å; L187-S191 WeakPolarHBondContact O-CB 3.46Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 VanDerWaalsContact O-N 3.09Å; L187-S191 PolarHBondContact O-OG 3.47Å
188	Y	98.2	Very high	96.7	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.122	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-41.4	175.2	-75.9	-32	0	0	0	112.2	I164 R184 A185 E186 K190 S191 E192 K193 E196	I164-Y188 HydrophobicContact CD1-CD1 3.88Å; I164-Y188 HydrophobicContact CD1-CE1 3.98Å; I164-Y188 HydrophobicContact CG1-CD1 4.36Å; I164-Y188 HydrophobicContact CG1-CE1 4.27Å; I164-Y188 HydrophobicContact CG2-CE1 3.65Å; R184-Y188 HydrophobicContact CG-CD2 4.04Å; R184-Y188 HydrophobicContact CG-CE1 4.46Å; R184-Y188 HydrophobicContact CG-CE2 3.6Å; R184-Y188 WeakPolarHBondContact O-CB 3.44Å; R184-Y188 WeakPolarHBondContact O-CD2 3.43Å; R184-Y188 PolarHBondContact O-N 3.1Å; A185-Y188 PolarHBondContact O-N 3.12Å; E186-Y188 VanDerWaalsContact C-N 3.31Å; E186-Y188 PolarHBondContact O-N 3.05Å; Y188-K190 PolarHBondContact O-N 3.41Å; Y188-S191 CarbonylContact O-C 3.21Å; Y188-S191 PolarHBondContact O-N 2.94Å; Y188-S191 VanDerWaalsContact O-N 3.08Å; Y188-E192 PolarHBondContact O-N 3.33Å; Y188-E192 VanDerWaalsContact O-N 3.15Å; Y188-K193 HydrophobicContact CD1-CB 3.9Å; Y188-K193 HydrophobicContact CD1-CD 3.69Å; Y188-K193 HydrophobicContact CD1-CG 4.43Å; Y188-K193 HydrophobicContact CE1-CD 3.97Å; Y188-K193 HydrophobicContact CG-CB 4.17Å; Y188-K193 PolarHBondContact O-N 3.14Å; Y188-E196 HydrophobicContact CD1-CB 4.39Å; Y188-E196 HydrophobicContact CD2-CB 3.57Å; Y188-E196 HydrophobicContact CE1-CB 4.48Å; Y188-E196 HydrophobicContact CE2-CB 3.67Å; Y188-E196 HydrophobicContact CG-CB 3.96Å
189	E	95.6	Very high	96.9	Very high	40 Å²	40	43.3 Å²	43.3	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-47.1	171.4	-69.4	-148.7	-123	0	0	111.8	A185 E186 S191 E192 A197 Y201 R220 L221	A185-E189 WeakPolarHBondContact O-CG 3.43Å; A185-E189 PolarHBondContact O-N 3.15Å; E186-E189 PolarHBondContact O-N 3.05Å; E189-S191 PolarHBondContact O-N 3.34Å; E189-S191 VanDerWaalsContact O-N 3.1Å; E189-E192 PolarHBondContact O-N 3.01Å; E189-E192 VanDerWaalsContact O-N 3.14Å; E189-A197 HydrophobicContact CG-CB 3.62Å; E189-Y201 HydrophobicContact CG-CE2 4.19Å; E189-Y201 WeakPolarHBondContact OE1-CE2 3.22Å; E189-Y201 PolarHBondContact OE1-OH 3.15Å; E189-R220 IonicContact OE1-CZ 2.65Å; E189-R220 IonicContact OE1-NH2 3.78Å; E189-R220 PolarHBondContact OE1-NH2 3.43Å; E189-R220 IonicContact OE2-CZ 3.33Å; E189-R220 IonicContact OE2-NH1 2.8Å; E189-R220 PolarHBondContact OE2-NH1 3.5Å; E189-R220 IonicContact OE2-NH2 3.71Å; E189-R220 PolarHBondContact OE2-NH2 2.95Å; E189-L221 HydrophobicContact CG-CD1 4.48Å; E189-L221 HydrophobicContact CG-CD2 4.24Å; E189-L221 WeakPolarHBondContact OE2-CD2 3.12Å
190	K	93.8	Very high	97	Very high	93 Å²	93	41.3 Å²	41.3	40%	0.404	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.6	176.1	-75.2	174.8	171.1	171.3	0	114.1	L155 K160 E186 L187 Y188	L155-K190 HydrophobicContact CD1-CD 3.98Å; K160-K190 PolarHBondContact NZ-O 3.27Å; E186-K190 HydrophobicContact CG-CD 4.46Å; E186-K190 WeakPolarHBondContact O-CB 3.37Å; E186-K190 WeakPolarHBondContact O-CG 3.49Å; E186-K190 PolarHBondContact O-N 3.12Å; E186-K190 VanDerWaalsContact OE1-CE 3.3Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 2.72Å; E186-K190 PolarHBondContact OE1-NZ 2.89Å; L187-K190 PolarHBondContact O-N 3.07Å; Y188-K190 PolarHBondContact O-N 3.41Å
191	S	93.7	Very high	97.1	Very high	35 Å²	35	42.3 Å²	42.3	25%	0.245	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	13.7	-179.9	-50	0	0	0	0	112.5	L187 Y188 E189 K193	L187-S191 WeakPolarHBondContact O-CB 3.46Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 VanDerWaalsContact O-N 3.09Å; L187-S191 PolarHBondContact O-OG 3.47Å; Y188-S191 CarbonylContact O-C 3.21Å; Y188-S191 PolarHBondContact O-N 2.94Å; Y188-S191 VanDerWaalsContact O-N 3.08Å; E189-S191 PolarHBondContact O-N 3.34Å; E189-S191 VanDerWaalsContact O-N 3.1Å; S191-K193 PolarHBondContact O-N 3.02Å
192	E	93.5	Very high	97.1	Very high	161 Å²	161	47.1 Å²	47.1	75%	0.752	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	15.8	-177.4	-56.2	-166.5	144.3	0	0	115.4	Y188 E189 L194	Y188-E192 PolarHBondContact O-N 3.33Å; Y188-E192 VanDerWaalsContact O-N 3.15Å; E189-E192 PolarHBondContact O-N 3.01Å; E189-E192 VanDerWaalsContact O-N 3.14Å; E192-L194 PolarHBondContact O-N 3.36Å
193	K	96.8	Very high	97.1	Very high	75 Å²	75	48.5 Å²	48.5	33%	0.326	23%	0.225	S	C	.	.			trans	-83.4	59.7	173.9	-69.2	177.5	-178.3	170.6	0	110.1	Y188 S191 D195 E196 A197	Y188-K193 HydrophobicContact CD1-CB 3.9Å; Y188-K193 HydrophobicContact CD1-CD 3.69Å; Y188-K193 HydrophobicContact CD1-CG 4.43Å; Y188-K193 HydrophobicContact CE1-CD 3.97Å; Y188-K193 HydrophobicContact CG-CB 4.17Å; Y188-K193 PolarHBondContact O-N 3.14Å; S191-K193 PolarHBondContact O-N 3.02Å; K193-D195 VanDerWaalsContact C-N 3.32Å; K193-D195 PolarHBondContact O-N 3.01Å; K193-E196 VanDerWaalsContact C-OE2 3.27Å; K193-E196 WeakPolarHBondContact CA-OE2 3.38Å; K193-E196 HydrophobicContact CB-CB 4.41Å; K193-E196 WeakPolarHBondContact CB-OE2 3.42Å; K193-E196 PolarHBondContact O-N 3.39Å; K193-A197 PolarHBondContact O-N 2.98Å
194	L	97.7	Very high	97.2	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-31.1	-167.6	-57.7	-173	0	0	0	113.6	E192 L198 L221 Q224 I225	E192-L194 PolarHBondContact O-N 3.36Å; L194-L198 WeakPolarHBondContact O-CB 3.46Å; L194-L198 PolarHBondContact O-N 2.92Å; L194-L221 HydrophobicContact CB-CD2 4.35Å; L194-L221 HydrophobicContact CD2-CD2 3.93Å; L194-Q224 HydrophobicContact CD1-CB 3.85Å; L194-I225 HydrophobicContact CB-CD1 4.21Å; L194-I225 HydrophobicContact CB-CG1 3.58Å; L194-I225 HydrophobicContact CD1-CG1 4.34Å
195	D	98.1	Very high	97.1	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-69.1	-45.1	179	-61	-73.8	0	0	0	110.6	K193 L198 E199 I225 R228	K193-D195 VanDerWaalsContact C-N 3.32Å; K193-D195 PolarHBondContact O-N 3.01Å; D195-L198 PolarHBondContact O-N 3.27Å; D195-E199 PolarHBondContact O-N 3.13Å; D195-I225 VanDerWaalsContact OD1-CG2 3.3Å; D195-I225 WeakPolarHBondContact OD1-CG2 3.39Å; D195-R228 IonicContact OD1-NH2 2.73Å; D195-R228 IonicContact OD2-CZ 3.36Å; D195-R228 IonicContact OD2-NH1 3.82Å; D195-R228 PolarHBondContact OD2-NH1 2.98Å; D195-R228 IonicContact OD2-NH2 3.13Å; D195-R228 PolarHBondContact OD2-NH2 3.36Å
196	E	98.3	Very high	97	Very high	79 Å²	79	54.6 Å²	54.6	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-41.1	176.6	-60.4	91	151	0	0	111.4	Y188 K193 L198 E199 D200	Y188-E196 HydrophobicContact CD1-CB 4.39Å; Y188-E196 HydrophobicContact CD2-CB 3.57Å; Y188-E196 HydrophobicContact CE1-CB 4.48Å; Y188-E196 HydrophobicContact CE2-CB 3.67Å; Y188-E196 HydrophobicContact CG-CB 3.96Å; K193-E196 VanDerWaalsContact C-OE2 3.27Å; K193-E196 WeakPolarHBondContact CA-OE2 3.38Å; K193-E196 HydrophobicContact CB-CB 4.41Å; K193-E196 WeakPolarHBondContact CB-OE2 3.42Å; K193-E196 PolarHBondContact O-N 3.39Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-L198 PolarHBondContact O-N 3.1Å; E196-E199 PolarHBondContact O-N 2.73Å; E196-D200 PolarHBondContact O-N 2.92Å; E196-D200 VanDerWaalsContact O-N 3.1Å
197	A	98.4	Very high	96.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-46.4	173.3	0	0	0	0	0	111.8	A185 E189 K193 E199 D200 Y201 L221	A185-A197 WeakPolarHBondContact O-CB 3.3Å; E189-A197 HydrophobicContact CG-CB 3.62Å; K193-A197 PolarHBondContact O-N 2.98Å; A197-E199 VanDerWaalsContact C-N 3.3Å; A197-E199 PolarHBondContact O-N 3.2Å; A197-D200 PolarHBondContact O-N 3.39Å; A197-Y201 HydrophobicContact CB-CE2 4.46Å; A197-Y201 WeakPolarHBondContact O-CD2 3.32Å; A197-Y201 PolarHBondContact O-N 3.19Å; A197-L221 HydrophobicContact CB-CD1 4.1Å
198	L	98.5	Very high	96.7	Very high	17 Å²	17	62 Å²	62	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-36.1	179	179.5	60.7	0	0	0	112	L194 D195 E196 K202 C218 L221 P222 I225	L194-L198 WeakPolarHBondContact O-CB 3.46Å; L194-L198 PolarHBondContact O-N 2.92Å; D195-L198 PolarHBondContact O-N 3.27Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-L198 PolarHBondContact O-N 3.1Å; L198-K202 HydrophobicContact CG-CD 4.36Å; L198-K202 VanDerWaalsContact O-CG 3.26Å; L198-K202 WeakPolarHBondContact O-CG 3.29Å; L198-K202 PolarHBondContact O-N 3.32Å; L198-C218 HydrophobicContact CD1-CB 4.3Å; L198-L221 HydrophobicContact CB-CB 4.38Å; L198-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CD1-CB 4.23Å; L198-L221 HydrophobicContact CD1-CD1 4.42Å; L198-P222 HydrophobicContact CD2-CG 4.21Å; L198-I225 HydrophobicContact CB-CD1 4.2Å; L198-I225 HydrophobicContact CD2-CD1 3.71Å
199	E	98.3	Very high	96.6	Very high	106 Å²	106	64.7 Å²	64.7	50%	0.495	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-47	175.7	-166.3	-173	148.2	0	0	111.7	D195 E196 A197 K202 K203	D195-E199 PolarHBondContact O-N 3.13Å; E196-E199 PolarHBondContact O-N 2.73Å; A197-E199 VanDerWaalsContact C-N 3.3Å; A197-E199 PolarHBondContact O-N 3.2Å; E199-K202 WeakPolarHBondContact O-CB 3.2Å; E199-K202 PolarHBondContact O-N 2.91Å; E199-K203 WeakPolarHBondContact O-CG 3.29Å; E199-K203 PolarHBondContact O-N 2.73Å; E199-K203 VanDerWaalsContact OE1-CE 3.29Å; E199-K203 WeakPolarHBondContact OE1-CE 3.44Å; E199-K203 IonicContact OE1-NZ 3.08Å; E199-K203 PolarHBondContact OE1-NZ 2.92Å
200	D	98.3	Very high	96.5	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-40.4	178.8	-78.5	-13.3	0	0	0	111.9	L181 R184 A185 E196 A197 K202 K203 V204	L181-D200 HydrophobicContact CD2-CB 4.4Å; R184-D200 IonicContact CZ-OD1 3.15Å; R184-D200 IonicContact CZ-OD2 2.67Å; R184-D200 IonicContact NE-OD1 3.92Å; R184-D200 IonicContact NE-OD2 2.79Å; R184-D200 PolarHBondContact NE-OD2 3.31Å; R184-D200 IonicContact NH2-OD1 3.99Å; R184-D200 PolarHBondContact NH2-OD1 2.95Å; R184-D200 IonicContact NH2-OD2 3.74Å; R184-D200 PolarHBondContact NH2-OD2 3.05Å; R184-D200 VanDerWaalsContact NH2-OD2 3.13Å; A185-D200 HydrophobicContact CB-CB 3.78Å; E196-D200 PolarHBondContact O-N 2.92Å; E196-D200 VanDerWaalsContact O-N 3.1Å; A197-D200 PolarHBondContact O-N 3.39Å; D200-K202 VanDerWaalsContact C-N 3.31Å; D200-K202 PolarHBondContact O-N 2.67Å; D200-K203 WeakPolarHBondContact O-CB 3.42Å; D200-K203 PolarHBondContact O-N 2.88Å; D200-K203 IonicContact OD1-NZ 2.73Å; D200-V204 WeakPolarHBondContact O-CG2 3.43Å; D200-V204 PolarHBondContact O-N 2.72Å
201	Y	98.4	Very high	96.6	Very high	20 Å²	20	64.8 Å²	64.8	8%	0.078	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-34.9	173.9	-74.8	-54.3	0	0	0	113.3	L182 A185 E189 A197 V204 L205 A214 A217 L221	L182-Y201 HydrophobicContact CD2-CD1 4.2Å; L182-Y201 HydrophobicContact CD2-CE1 4.01Å; A185-Y201 HydrophobicContact CB-CD1 3.91Å; A185-Y201 HydrophobicContact CB-CD2 3.83Å; A185-Y201 HydrophobicContact CB-CE1 3.67Å; A185-Y201 HydrophobicContact CB-CE2 3.57Å; A185-Y201 HydrophobicContact CB-CG 3.99Å; A185-Y201 VanDerWaalsContact CB-CZ 3.48Å; E189-Y201 HydrophobicContact CG-CE2 4.19Å; E189-Y201 WeakPolarHBondContact OE1-CE2 3.22Å; E189-Y201 PolarHBondContact OE1-OH 3.15Å; A197-Y201 HydrophobicContact CB-CE2 4.46Å; A197-Y201 WeakPolarHBondContact O-CD2 3.32Å; A197-Y201 PolarHBondContact O-N 3.19Å; Y201-V204 PolarHBondContact O-N 3.32Å; Y201-L205 WeakPolarHBondContact O-CG 3.32Å; Y201-L205 PolarHBondContact O-N 2.93Å; Y201-A214 HydrophobicContact CD1-CB 3.68Å; Y201-A214 HydrophobicContact CG-CB 4.39Å; Y201-A217 HydrophobicContact CD1-CB 4.14Å; Y201-A217 HydrophobicContact CD2-CB 3.36Å; Y201-A217 HydrophobicContact CE1-CB 4.15Å; Y201-A217 HydrophobicContact CE2-CB 3.38Å; Y201-A217 HydrophobicContact CG-CB 3.76Å; Y201-L221 HydrophobicContact CD2-CD1 3.77Å; Y201-L221 HydrophobicContact CE2-CD1 4.06Å
202	K	98.1	Very high	96.7	Very high	108 Å²	108	67.6 Å²	67.6	47%	0.47	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-44.5	173	-76.6	169.7	-179.9	170.4	0	111.2	L198 E199 D200 V204 L205 E206	L198-K202 HydrophobicContact CG-CD 4.36Å; L198-K202 VanDerWaalsContact O-CG 3.26Å; L198-K202 WeakPolarHBondContact O-CG 3.29Å; L198-K202 PolarHBondContact O-N 3.32Å; E199-K202 WeakPolarHBondContact O-CB 3.2Å; E199-K202 PolarHBondContact O-N 2.91Å; D200-K202 VanDerWaalsContact C-N 3.31Å; D200-K202 PolarHBondContact O-N 2.67Å; K202-V204 VanDerWaalsContact C-N 3.26Å; K202-V204 PolarHBondContact O-N 3.01Å; K202-L205 CarbonylContact O-C 3.24Å; K202-L205 PolarHBondContact O-N 3.42Å; K202-E206 WeakPolarHBondContact O-CG 3.12Å; K202-E206 PolarHBondContact O-N 2.6Å
203	K	97.5	Very high	96.7	Very high	67 Å²	67	61.4 Å²	61.4	29%	0.291	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-39.2	174.9	-70.1	171.4	-174.1	158.4	0	111.7	L181 E199 D200 E206	L181-K203 HydrophobicContact CD1-CB 4.2Å; L181-K203 HydrophobicContact CD2-CB 4.37Å; L181-K203 HydrophobicContact CD2-CD 4.13Å; E199-K203 WeakPolarHBondContact O-CG 3.29Å; E199-K203 PolarHBondContact O-N 2.73Å; E199-K203 VanDerWaalsContact OE1-CE 3.29Å; E199-K203 WeakPolarHBondContact OE1-CE 3.44Å; E199-K203 IonicContact OE1-NZ 3.08Å; E199-K203 PolarHBondContact OE1-NZ 2.92Å; D200-K203 WeakPolarHBondContact O-CB 3.42Å; D200-K203 PolarHBondContact O-N 2.88Å; D200-K203 IonicContact OD1-NZ 2.73Å; K203-E206 PolarHBondContact O-N 3.28Å
204	V	97.5	Very high	96.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-48.6	172.8	174.8	0	0	0	0	110.8	L181 L182 D200 Y201 K202 E206 R207 D208 H211 A214	L181-V204 HydrophobicContact CB-CG2 3.73Å; L181-V204 HydrophobicContact CD1-CG2 4.45Å; L182-V204 HydrophobicContact CD2-CB 4.44Å; L182-V204 HydrophobicContact CD2-CG1 3.99Å; L182-V204 HydrophobicContact CD2-CG2 3.94Å; L182-V204 HydrophobicContact CG-CG1 4.26Å; L182-V204 HydrophobicContact CG-CG2 3.86Å; D200-V204 WeakPolarHBondContact O-CG2 3.43Å; D200-V204 PolarHBondContact O-N 2.72Å; Y201-V204 PolarHBondContact O-N 3.32Å; K202-V204 VanDerWaalsContact C-N 3.26Å; K202-V204 PolarHBondContact O-N 3.01Å; V204-E206 VanDerWaalsContact C-N 3.31Å; V204-E206 PolarHBondContact O-N 3.44Å; V204-R207 PolarHBondContact O-N 2.92Å; V204-D208 PolarHBondContact O-N 2.79Å; V204-H211 HydrophobicContact CG1-CB 4.11Å; V204-A214 HydrophobicContact CB-CB 4.12Å; V204-A214 HydrophobicContact CG1-CB 3.85Å
205	L	96.8	Very high	96.7	Very high	38 Å²	38	63 Å²	63	20%	0.199	32%	0.32	C	S	.	.	H	α-helix	trans	-68.8	-24.8	-179.4	-68.7	177	0	0	0	114.4	Y201 K202 R207 P209 H211 A214 R215 C218	Y201-L205 WeakPolarHBondContact O-CG 3.32Å; Y201-L205 PolarHBondContact O-N 2.93Å; K202-L205 CarbonylContact O-C 3.24Å; K202-L205 PolarHBondContact O-N 3.42Å; L205-R207 PolarHBondContact O-N 2.67Å; L205-P209 WeakPolarHBondContact O-CA 3.45Å; L205-P209 WeakPolarHBondContact O-CG 3.23Å; L205-H211 HydrophobicContact CD2-CB 4.38Å; L205-A214 HydrophobicContact CD2-CB 3.88Å; L205-A214 HydrophobicContact CG-CB 3.88Å; L205-R215 HydrophobicContact CD2-CB 4.18Å; L205-C218 HydrophobicContact CD1-CB 3.97Å; L205-C218 VanDerWaalsContact CD1-SG 3.51Å
206	E	96.4	Very high	96.7	Very high	134 Å²	134	66.3 Å²	66.3	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-64.8	-25.3	171	-74.7	173.7	-172.4	0	0	112.1	K202 K203 V204	K202-E206 WeakPolarHBondContact O-CG 3.12Å; K202-E206 PolarHBondContact O-N 2.6Å; K203-E206 PolarHBondContact O-N 3.28Å; V204-E206 VanDerWaalsContact C-N 3.31Å; V204-E206 PolarHBondContact O-N 3.44Å
207	R	93.4	Very high	96.6	Very high	159 Å²	159	62.8 Å²	62.8	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-103.3	-48.1	-177.8	-60.8	-58.6	-175.8	-138.3	1.8	112.7	L178 V204 L205 P209	L178-R207 HydrophobicContact CD1-CB 4.43Å; L178-R207 HydrophobicContact CD2-CB 3.64Å; L178-R207 HydrophobicContact CD2-CG 3.97Å; V204-R207 PolarHBondContact O-N 2.92Å; L205-R207 PolarHBondContact O-N 2.67Å; R207-P209 WeakPolarHBondContact O-CD 3.37Å
208	D	93.8	Very high	96.6	Very high	47 Å²	47	63.5 Å²	63.5	25%	0.251	32%	0.322	S	S	.	.			trans	-119	87.4	172.2	179.5	9.5	0	0	0	110	L178 V204 S210 H211	L178-D208 HydrophobicContact CD1-CB 4.21Å; V204-D208 PolarHBondContact O-N 2.79Å; D208-S210 PolarHBondContact O-N 3.05Å; D208-S210 VanDerWaalsContact O-N 3.08Å; D208-S210 WeakPolarHBondContact OD1-CA 3.4Å; D208-S210 WeakPolarHBondContact OD1-CB 3.44Å; D208-S210 PolarHBondContact OD1-N 3.03Å; D208-S210 PolarHBondContact OD1-OG 3.31Å; D208-H211 HydrophobicContact CB-CB 4.28Å; D208-H211 WeakPolarHBondContact O-CB 3.38Å; D208-H211 PolarHBondContact O-N 3.26Å; D208-H211 PolarHBondContact OD1-N 3.47Å; D208-H211 WeakPolarHBondContact OD2-CB 3.3Å; D208-H211 IonicContact OD2-CD2 3.92Å
209	P	95.5	Very high	96.5	Very high	86 Å²	86	69.7 Å²	69.7	56%	0.558	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	176.3	-21.9	32.4	0	0	0	113.4	L205 R207 R215	L205-P209 WeakPolarHBondContact O-CA 3.45Å; L205-P209 WeakPolarHBondContact O-CG 3.23Å; R207-P209 WeakPolarHBondContact O-CD 3.37Å; P209-R215 PolarHBondContact O-NH2 2.94Å
210	S	94.4	Very high	96.5	Very high	87 Å²	87	69.1 Å²	69.1	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-11	-177.5	77.7	0	0	0	0	113.5	D208 S212	D208-S210 PolarHBondContact O-N 3.05Å; D208-S210 VanDerWaalsContact O-N 3.08Å; D208-S210 WeakPolarHBondContact OD1-CA 3.4Å; D208-S210 WeakPolarHBondContact OD1-CB 3.44Å; D208-S210 PolarHBondContact OD1-N 3.03Å; D208-S210 PolarHBondContact OD1-OG 3.31Å; S210-S212 PolarHBondContact O-N 2.98Å
211	H	95.6	Very high	96.5	Very high	49 Å²	49	69 Å²	69	23%	0.227	35%	0.345	C	S	.	.			trans	-60	109	-178.3	-164.3	-61.6	0	0	0	112.2	L182 V204 L205 D208 G213 A214 R215	L182-H211 WeakPolarHBondContact CD1-NE2 3.35Å; V204-H211 HydrophobicContact CG1-CB 4.11Å; L205-H211 HydrophobicContact CD2-CB 4.38Å; D208-H211 HydrophobicContact CB-CB 4.28Å; D208-H211 WeakPolarHBondContact O-CB 3.38Å; D208-H211 PolarHBondContact O-N 3.26Å; D208-H211 PolarHBondContact OD1-N 3.47Å; D208-H211 WeakPolarHBondContact OD2-CB 3.3Å; D208-H211 IonicContact OD2-CD2 3.92Å; H211-G213 PolarHBondContact ND1-N 3.02Å; H211-A214 HydrophobicContact CB-CB 4.22Å; H211-A214 PolarHBondContact ND1-N 2.77Å; H211-A214 VanDerWaalsContact ND1-N 3.19Å; H211-R215 WeakPolarHBondContact O-CB 3.39Å; H211-R215 PolarHBondContact O-N 3.38Å; H211-R215 VanDerWaalsContact O-N 3.1Å
212	S	95.3	Very high	96.4	Very high	93 Å²	93	70.8 Å²	70.8	65%	0.65	36%	0.359	S	S	*	.	H	α-helix	trans	-63.6	-48.1	-173.8	56.6	0	0	0	0	113.1	S210 R215 Q216	S210-S212 PolarHBondContact O-N 2.98Å; S212-R215 WeakPolarHBondContact O-CB 3.44Å; S212-R215 PolarHBondContact O-N 3.41Å; S212-Q216 PolarHBondContact O-N 3.31Å
213	G	93.9	Very high	96.3	Very high	31 Å²	31	71.8 Å²	71.8	32%	0.32	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-53.4	-179.2	0	0	0	0	0	112.8	H211 R215 Q216 A217	H211-G213 PolarHBondContact ND1-N 3.02Å; G213-R215 VanDerWaalsContact C-N 3.29Å; G213-R215 PolarHBondContact O-N 3.07Å; G213-Q216 PolarHBondContact O-N 3.35Å; G213-Q216 VanDerWaalsContact O-N 3.15Å; G213-A217 PolarHBondContact O-N 3.36Å
214	A	96.4	Very high	96.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57.8	-37.6	174.9	0	0	0	0	0	113.3	L182 Y201 V204 L205 H211 A217 C218	L182-A214 HydrophobicContact CD2-CB 4.41Å; Y201-A214 HydrophobicContact CD1-CB 3.68Å; Y201-A214 HydrophobicContact CG-CB 4.39Å; V204-A214 HydrophobicContact CB-CB 4.12Å; V204-A214 HydrophobicContact CG1-CB 3.85Å; L205-A214 HydrophobicContact CD2-CB 3.88Å; L205-A214 HydrophobicContact CG-CB 3.88Å; H211-A214 HydrophobicContact CB-CB 4.22Å; H211-A214 PolarHBondContact ND1-N 2.77Å; H211-A214 VanDerWaalsContact ND1-N 3.19Å; A214-A217 PolarHBondContact O-N 3.44Å; A214-C218 WeakPolarHBondContact O-CB 3.28Å; A214-C218 PolarHBondContact O-N 3.27Å; A214-C218 PolarHBondContact O-SG 3.06Å
215	R	97.8	Very high	96.3	Very high	129 Å²	129	72.5 Å²	72.5	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-45.4	175	-170.2	-175	-63.2	150.2	-1.8	111.5	L205 P209 H211 S212 G213 C218 M219	L205-R215 HydrophobicContact CD2-CB 4.18Å; P209-R215 PolarHBondContact O-NH2 2.94Å; H211-R215 WeakPolarHBondContact O-CB 3.39Å; H211-R215 PolarHBondContact O-N 3.38Å; H211-R215 VanDerWaalsContact O-N 3.1Å; S212-R215 WeakPolarHBondContact O-CB 3.44Å; S212-R215 PolarHBondContact O-N 3.41Å; G213-R215 VanDerWaalsContact C-N 3.29Å; G213-R215 PolarHBondContact O-N 3.07Å; R215-C218 PolarHBondContact O-N 3.28Å; R215-M219 WeakPolarHBondContact O-CG 3.26Å; R215-M219 PolarHBondContact O-N 3.38Å; R215-M219 VanDerWaalsContact O-N 3.15Å
216	Q	97.4	Very high	96.3	Very high	140 Å²	140	75.4 Å²	75.4	65%	0.654	38%	0.383	S	S	*	.	H	α-helix	trans	-63	-44.2	177.8	-173.6	179	10.3	0	0	111.3	S212 G213 M219 R220	S212-Q216 PolarHBondContact O-N 3.31Å; G213-Q216 PolarHBondContact O-N 3.35Å; G213-Q216 VanDerWaalsContact O-N 3.15Å; Q216-M219 PolarHBondContact O-N 2.9Å; Q216-M219 VanDerWaalsContact O-N 3.15Å; Q216-R220 PolarHBondContact O-N 3.02Å
217	A	97.3	Very high	96.3	Very high	4 Å²	4	74 Å²	74	3%	0.033	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-45.5	176.1	0	0	0	0	0	111.6	Y201 G213 A214 M219 R220 L221	Y201-A217 HydrophobicContact CD1-CB 4.14Å; Y201-A217 HydrophobicContact CD2-CB 3.36Å; Y201-A217 HydrophobicContact CE1-CB 4.15Å; Y201-A217 HydrophobicContact CE2-CB 3.38Å; Y201-A217 HydrophobicContact CG-CB 3.76Å; G213-A217 PolarHBondContact O-N 3.36Å; A214-A217 PolarHBondContact O-N 3.44Å; A217-M219 PolarHBondContact O-N 3.32Å; A217-R220 PolarHBondContact O-N 3.48Å; A217-R220 VanDerWaalsContact O-N 3.14Å; A217-L221 HydrophobicContact CB-CD1 4.21Å; A217-L221 VanDerWaalsContact O-CB 3.32Å; A217-L221 WeakPolarHBondContact O-CB 3.44Å; A217-L221 WeakPolarHBondContact O-CG 3.44Å; A217-L221 PolarHBondContact O-N 3.05Å
218	C	97.7	Very high	96.3	Very high	16 Å²	16	69.9 Å²	69.9	11%	0.108	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-23.1	175.8	-75.7	0	0	0	0	114.4	L198 L205 A214 R215 P222	L198-C218 HydrophobicContact CD1-CB 4.3Å; L205-C218 HydrophobicContact CD1-CB 3.97Å; L205-C218 VanDerWaalsContact CD1-SG 3.51Å; A214-C218 WeakPolarHBondContact O-CB 3.28Å; A214-C218 PolarHBondContact O-N 3.27Å; A214-C218 PolarHBondContact O-SG 3.06Å; R215-C218 PolarHBondContact O-N 3.28Å; C218-P222 VanDerWaalsContact O-CD 3.22Å; C218-P222 WeakPolarHBondContact O-CD 3.42Å; C218-P222 VanDerWaalsContact O-CG 3.28Å; C218-P222 WeakPolarHBondContact O-CG 3.46Å
219	M	97.2	Very high	96.4	Very high	146 Å²	146	70.6 Å²	70.6	72%	0.719	36%	0.364	S	S	*	.	H	α-helix	trans	-83.6	-37.5	173.5	-66.7	-66.9	96.6	0	0	112.3	R215 Q216 A217	R215-M219 WeakPolarHBondContact O-CG 3.26Å; R215-M219 PolarHBondContact O-N 3.38Å; R215-M219 VanDerWaalsContact O-N 3.15Å; Q216-M219 PolarHBondContact O-N 2.9Å; Q216-M219 VanDerWaalsContact O-N 3.15Å; A217-M219 PolarHBondContact O-N 3.32Å
220	R	97.4	Very high	96.4	Very high	94 Å²	94	71.7 Å²	71.7	36%	0.355	36%	0.362	S	S	.	.	H	α-helix	trans	-80.9	-47.6	-176.3	175.5	178.2	53.7	78	-0.4	113.2	E189 Q216 A217 P222 Q223 Q224	E189-R220 IonicContact OE1-CZ 2.65Å; E189-R220 IonicContact OE1-NH2 3.78Å; E189-R220 PolarHBondContact OE1-NH2 3.43Å; E189-R220 IonicContact OE2-CZ 3.33Å; E189-R220 IonicContact OE2-NH1 2.8Å; E189-R220 PolarHBondContact OE2-NH1 3.5Å; E189-R220 IonicContact OE2-NH2 3.71Å; E189-R220 PolarHBondContact OE2-NH2 2.95Å; Q216-R220 PolarHBondContact O-N 3.02Å; A217-R220 PolarHBondContact O-N 3.48Å; A217-R220 VanDerWaalsContact O-N 3.14Å; R220-P222 VanDerWaalsContact C-CD 3.47Å; R220-Q223 PolarHBondContact O-N 3.3Å; R220-Q224 HydrophobicContact CG-CG 4.39Å
221	L	97.8	Very high	96.4	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-39.3	-170.4	-73.7	175.4	0	0	0	114.5	E189 L194 A197 L198 Y201 A217 Q223 Q224 I225	E189-L221 HydrophobicContact CG-CD1 4.48Å; E189-L221 HydrophobicContact CG-CD2 4.24Å; E189-L221 WeakPolarHBondContact OE2-CD2 3.12Å; L194-L221 HydrophobicContact CB-CD2 4.35Å; L194-L221 HydrophobicContact CD2-CD2 3.93Å; A197-L221 HydrophobicContact CB-CD1 4.1Å; L198-L221 HydrophobicContact CB-CB 4.38Å; L198-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CD1-CB 4.23Å; L198-L221 HydrophobicContact CD1-CD1 4.42Å; Y201-L221 HydrophobicContact CD2-CD1 3.77Å; Y201-L221 HydrophobicContact CE2-CD1 4.06Å; A217-L221 HydrophobicContact CB-CD1 4.21Å; A217-L221 VanDerWaalsContact O-CB 3.32Å; A217-L221 WeakPolarHBondContact O-CB 3.44Å; A217-L221 WeakPolarHBondContact O-CG 3.44Å; A217-L221 PolarHBondContact O-N 3.05Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.87Å; L221-Q224 PolarHBondContact O-N 3.05Å; L221-Q224 VanDerWaalsContact O-N 3.13Å; L221-I225 HydrophobicContact CB-CD1 4.4Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.49Å; L221-I225 PolarHBondContact O-N 2.87Å
222	P	98.1	Very high	96.3	Very high	59 Å²	59	75.6 Å²	75.6	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-38.9	-179.5	-27.6	36.2	0	0	0	113.9	L198 C218 R220 Q226	L198-P222 HydrophobicContact CD2-CG 4.21Å; C218-P222 VanDerWaalsContact O-CD 3.22Å; C218-P222 WeakPolarHBondContact O-CD 3.42Å; C218-P222 VanDerWaalsContact O-CG 3.28Å; C218-P222 WeakPolarHBondContact O-CG 3.46Å; R220-P222 VanDerWaalsContact C-CD 3.47Å; P222-Q226 WeakPolarHBondContact O-CB 3.35Å; P222-Q226 PolarHBondContact O-N 3.22Å
223	Q	96.1	Very high	96.3	Very high	128 Å²	128	78 Å²	78	60%	0.598	37%	0.37	S	S	*	.	H	α-helix	trans	-67.5	-44.7	177	-177.6	-179.9	-15.2	0	0	111	R220 L221 I225 Q226 E227	R220-Q223 PolarHBondContact O-N 3.3Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.87Å; Q223-I225 VanDerWaalsContact C-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.19Å; Q223-Q226 WeakPolarHBondContact O-CB 3.03Å; Q223-Q226 PolarHBondContact O-N 3.34Å; Q223-E227 HydrophobicContact CG-CG 4.47Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.41Å; Q223-E227 PolarHBondContact NE2-OE1 3.04Å; Q223-E227 WeakPolarHBondContact O-CG 3.47Å; Q223-E227 PolarHBondContact O-N 3.5Å
224	Q	96.7	Very high	96.4	Very high	68 Å²	68	83.7 Å²	83.7	32%	0.318	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-39.3	178.9	-66.3	-179.1	-25.1	0	0	112.3	L194 R220 L221 Q226 E227 R228	L194-Q224 HydrophobicContact CD1-CB 3.85Å; R220-Q224 HydrophobicContact CG-CG 4.39Å; L221-Q224 PolarHBondContact O-N 3.05Å; L221-Q224 VanDerWaalsContact O-N 3.13Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q224-E227 PolarHBondContact O-N 3.43Å; Q224-R228 VanDerWaalsContact O-CB 3.3Å; Q224-R228 WeakPolarHBondContact O-CB 3.49Å; Q224-R228 PolarHBondContact O-N 2.9Å
225	I	97.3	Very high	96.3	Very high	15 Å²	15	88 Å²	88	8%	0.077	41%	0.408	C	S	.	.	H	α-helix	trans	-61.3	-45.1	173.5	-69.4	163.3	0	0	0	110.2	L194 D195 L198 L221 Q223 R228 N229	L194-I225 HydrophobicContact CB-CD1 4.21Å; L194-I225 HydrophobicContact CB-CG1 3.58Å; L194-I225 HydrophobicContact CD1-CG1 4.34Å; D195-I225 VanDerWaalsContact OD1-CG2 3.3Å; D195-I225 WeakPolarHBondContact OD1-CG2 3.39Å; L198-I225 HydrophobicContact CB-CD1 4.2Å; L198-I225 HydrophobicContact CD2-CD1 3.71Å; L221-I225 HydrophobicContact CB-CD1 4.4Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.49Å; L221-I225 PolarHBondContact O-N 2.87Å; Q223-I225 VanDerWaalsContact C-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.19Å; I225-R228 PolarHBondContact O-N 3.48Å; I225-N229 VanDerWaalsContact O-CB 3.32Å; I225-N229 WeakPolarHBondContact O-CB 3.49Å; I225-N229 PolarHBondContact O-N 3.45Å; I225-N229 PolarHBondContact O-ND2 2.98Å; I225-N229 PolarHBondContact O-OD1 3.34Å
226	Q	96.4	Very high	96.2	Very high	99 Å²	99	87.5 Å²	87.5	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-47.5	178.1	-177.6	61.3	23.1	0	0	111.6	P222 Q223 Q224 R228 N229 E230	P222-Q226 WeakPolarHBondContact O-CB 3.35Å; P222-Q226 PolarHBondContact O-N 3.22Å; Q223-Q226 WeakPolarHBondContact O-CB 3.03Å; Q223-Q226 PolarHBondContact O-N 3.34Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q226-R228 PolarHBondContact O-N 3.45Å; Q226-N229 PolarHBondContact O-N 3.13Å; Q226-E230 PolarHBondContact NE2-OE1 3.45Å; Q226-E230 WeakPolarHBondContact O-CG 3.43Å; Q226-E230 PolarHBondContact O-N 3.17Å
227	E	96	Very high	95.9	Very high	103 Å²	103	85.3 Å²	85.3	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-60	-45.4	177.3	-72.6	171.7	-172.5	0	0	111.6	Q223 Q224 N229 E230 K231	Q223-E227 HydrophobicContact CG-CG 4.47Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.41Å; Q223-E227 PolarHBondContact NE2-OE1 3.04Å; Q223-E227 WeakPolarHBondContact O-CG 3.47Å; Q223-E227 PolarHBondContact O-N 3.5Å; Q224-E227 PolarHBondContact O-N 3.43Å; E227-N229 VanDerWaalsContact C-N 3.34Å; E227-N229 PolarHBondContact O-N 2.93Å; E227-E230 PolarHBondContact O-N 2.94Å; E227-K231 WeakPolarHBondContact O-CB 3.3Å; E227-K231 PolarHBondContact O-N 3.23Å
228	R	95.1	Very high	95.7	Very high	73 Å²	73	86.5 Å²	86.5	28%	0.275	42%	0.416	S	S	.	.	H	α-helix	trans	-58.2	-46.1	173.9	-175.7	-155.5	67.4	-171.7	-4.8	111.2	D195 Q224 I225 Q226 K231 L232	D195-R228 IonicContact OD1-NH2 2.73Å; D195-R228 IonicContact OD2-CZ 3.36Å; D195-R228 IonicContact OD2-NH1 3.82Å; D195-R228 PolarHBondContact OD2-NH1 2.98Å; D195-R228 IonicContact OD2-NH2 3.13Å; D195-R228 PolarHBondContact OD2-NH2 3.36Å; Q224-R228 VanDerWaalsContact O-CB 3.3Å; Q224-R228 WeakPolarHBondContact O-CB 3.49Å; Q224-R228 PolarHBondContact O-N 2.9Å; I225-R228 PolarHBondContact O-N 3.48Å; Q226-R228 PolarHBondContact O-N 3.45Å; R228-K231 PolarHBondContact O-N 3.45Å; R228-L232 HydrophobicContact CG-CD1 4.09Å; R228-L232 WeakPolarHBondContact O-CB 3.48Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.44Å; R228-L232 PolarHBondContact O-N 3.26Å
229	N	94.3	Very high	95.6	Very high	63 Å²	63	92.7 Å²	92.7	34%	0.337	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-38.6	-179.2	-70.8	-14.3	0	0	0	112.4	I225 Q226 E227 K233	I225-N229 VanDerWaalsContact O-CB 3.32Å; I225-N229 WeakPolarHBondContact O-CB 3.49Å; I225-N229 PolarHBondContact O-N 3.45Å; I225-N229 PolarHBondContact O-ND2 2.98Å; I225-N229 PolarHBondContact O-OD1 3.34Å; Q226-N229 PolarHBondContact O-N 3.13Å; E227-N229 VanDerWaalsContact C-N 3.34Å; E227-N229 PolarHBondContact O-N 2.93Å; N229-K233 VanDerWaalsContact O-CB 3.24Å; N229-K233 WeakPolarHBondContact O-CB 3.46Å; N229-K233 PolarHBondContact O-N 3.14Å
230	E	95.8	Very high	95.5	Very high	108 Å²	108	90.8 Å²	90.8	51%	0.505	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-44.6	175.4	-75.6	179.1	-176	0	0	111.6	Q226 E227 K233 E234	Q226-E230 PolarHBondContact NE2-OE1 3.45Å; Q226-E230 WeakPolarHBondContact O-CG 3.43Å; Q226-E230 PolarHBondContact O-N 3.17Å; E227-E230 PolarHBondContact O-N 2.94Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 PolarHBondContact O-N 3.02Å; E230-E234 PolarHBondContact O-N 3.18Å
231	K	95.4	Very high	95.3	Very high	134 Å²	134	91.7 Å²	91.7	58%	0.583	44%	0.44	S	S	*	.	H	α-helix	trans	-60.1	-49.3	175	-174.7	-177.7	176.2	-171.9	0	111.7	E227 R228 K233 E234 E235	E227-K231 WeakPolarHBondContact O-CB 3.3Å; E227-K231 PolarHBondContact O-N 3.23Å; R228-K231 PolarHBondContact O-N 3.45Å; K231-K233 VanDerWaalsContact C-N 3.29Å; K231-K233 PolarHBondContact O-N 2.89Å; K231-E234 PolarHBondContact O-N 3.15Å; K231-E235 VanDerWaalsContact CE-OE1 3.29Å; K231-E235 WeakPolarHBondContact CE-OE1 3.32Å; K231-E235 WeakPolarHBondContact O-CG 3.24Å; K231-E235 PolarHBondContact O-N 3.5Å
232	L	93.8	Very high	95.1	Very high	84 Å²	84	96.7 Å²	96.7	44%	0.44	47%	0.467	S	S	.	.	H	α-helix	trans	-58.8	-41.6	176.2	-74.1	171.2	0	0	0	111.5	R228 E235 M236	R228-L232 HydrophobicContact CG-CD1 4.09Å; R228-L232 WeakPolarHBondContact O-CB 3.48Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.44Å; R228-L232 PolarHBondContact O-N 3.26Å; L232-E235 PolarHBondContact O-N 3.35Å; L232-M236 WeakPolarHBondContact O-CB 3.35Å; L232-M236 VanDerWaalsContact O-CG 3.23Å; L232-M236 WeakPolarHBondContact O-CG 3.37Å; L232-M236 PolarHBondContact O-N 2.86Å
233	K	94.9	Very high	95	Very high	145 Å²	145	99 Å²	99	63%	0.63	48%	0.475	S	S	*	.	H	α-helix	trans	-61.8	-44.3	176.2	-179.9	-177.2	177.8	-176.2	0	111.7	N229 E230 K231 M236 M237	N229-K233 VanDerWaalsContact O-CB 3.24Å; N229-K233 WeakPolarHBondContact O-CB 3.46Å; N229-K233 PolarHBondContact O-N 3.14Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 PolarHBondContact O-N 3.02Å; K231-K233 VanDerWaalsContact C-N 3.29Å; K231-K233 PolarHBondContact O-N 2.89Å; K233-M236 PolarHBondContact O-N 2.7Å; K233-M237 HydrophobicContact CG-CG 4.48Å; K233-M237 WeakPolarHBondContact O-CB 3.3Å; K233-M237 WeakPolarHBondContact O-CG 3.46Å; K233-M237 PolarHBondContact O-N 3.08Å
234	E	94.9	Very high	94.8	Very high	150 Å²	150	93.8 Å²	93.8	70%	0.701	46%	0.456	S	S	*	.	H	α-helix	trans	-63	-47.3	177.8	-174.9	171.2	-164.5	0	0	111.6	E230 K231 M236 M237 G238	E230-E234 PolarHBondContact O-N 3.18Å; K231-E234 PolarHBondContact O-N 3.15Å; E234-M236 PolarHBondContact O-N 3.15Å; E234-M237 PolarHBondContact O-N 3.39Å; E234-G238 PolarHBondContact O-N 2.93Å
235	E	95.9	Very high	94.7	Very high	91 Å²	91	91.7 Å²	91.7	43%	0.425	45%	0.447	S	S	.	.	H	α-helix	trans	-59.9	-44.8	177.1	-71.8	179.1	-168.6	0	0	112	K231 L232 G238 K239	K231-E235 VanDerWaalsContact CE-OE1 3.29Å; K231-E235 WeakPolarHBondContact CE-OE1 3.32Å; K231-E235 WeakPolarHBondContact O-CG 3.24Å; K231-E235 PolarHBondContact O-N 3.5Å; L232-E235 PolarHBondContact O-N 3.35Å; E235-G238 PolarHBondContact O-N 3.3Å; E235-K239 WeakPolarHBondContact O-CG 3.43Å; E235-K239 PolarHBondContact O-N 3.1Å
236	M	94.7	Very high	94.5	Very high	118 Å²	118	96.4 Å²	96.4	58%	0.581	47%	0.472	S	S	*	.	H	α-helix	trans	-62.7	-46.7	175.9	-73	-174.3	79.3	0	0	111.2	L232 K233 E234 G238 K239 L240	L232-M236 WeakPolarHBondContact O-CB 3.35Å; L232-M236 VanDerWaalsContact O-CG 3.23Å; L232-M236 WeakPolarHBondContact O-CG 3.37Å; L232-M236 PolarHBondContact O-N 2.86Å; K233-M236 PolarHBondContact O-N 2.7Å; E234-M236 PolarHBondContact O-N 3.15Å; M236-G238 VanDerWaalsContact C-N 3.26Å; M236-G238 PolarHBondContact O-N 3.19Å; M236-K239 PolarHBondContact O-N 3.45Å; M236-L240 WeakPolarHBondContact O-CD1 3.4Å; M236-L240 PolarHBondContact O-N 2.88Å
237	M	90.8	Very high	94.4	Very high	94 Å²	94	96.9 Å²	96.9	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-35.2	177.5	-74.3	-59.6	-61.3	0	0	112.2	K233 E234 K241	K233-M237 HydrophobicContact CG-CG 4.48Å; K233-M237 WeakPolarHBondContact O-CB 3.3Å; K233-M237 WeakPolarHBondContact O-CG 3.46Å; K233-M237 PolarHBondContact O-N 3.08Å; E234-M237 PolarHBondContact O-N 3.39Å; M237-K241 WeakPolarHBondContact O-CB 3.45Å; M237-K241 VanDerWaalsContact O-CG 3.26Å; M237-K241 WeakPolarHBondContact O-CG 3.35Å; M237-K241 PolarHBondContact O-N 3.18Å
238	G	93.6	Very high	94.2	Very high	29 Å²	29	93.6 Å²	93.6	30%	0.299	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-54.8	170.7	0	0	0	0	0	111.9	E234 E235 M236 L240 K241 D242	E234-G238 PolarHBondContact O-N 2.93Å; E235-G238 PolarHBondContact O-N 3.3Å; M236-G238 VanDerWaalsContact C-N 3.26Å; M236-G238 PolarHBondContact O-N 3.19Å; G238-L240 VanDerWaalsContact C-N 3.3Å; G238-L240 PolarHBondContact O-N 2.97Å; G238-K241 WeakPolarHBondContact O-CB 3.22Å; G238-K241 PolarHBondContact O-N 3.25Å; G238-D242 PolarHBondContact O-N 3.37Å
239	K	95.9	Very high	94	Very high	146 Å²	146	98.4 Å²	98.4	64%	0.635	48%	0.48	S	S	*	.	H	α-helix	trans	-57.9	-40.1	178.1	-69.4	175.6	-177.4	173.9	0	112.6	E235 M236 D242 L243	E235-K239 WeakPolarHBondContact O-CG 3.43Å; E235-K239 PolarHBondContact O-N 3.1Å; M236-K239 PolarHBondContact O-N 3.45Å; K239-D242 PolarHBondContact O-N 3.25Å; K239-L243 WeakPolarHBondContact O-CB 3.28Å; K239-L243 PolarHBondContact O-N 2.87Å
240	L	94.9	Very high	93.9	Very high	106 Å²	106	100.5 Å²	100.5	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-65.7	-40	175.8	-91.1	81.3	0	0	0	112	M236 G238 L243 G244	M236-L240 WeakPolarHBondContact O-CD1 3.4Å; M236-L240 PolarHBondContact O-N 2.88Å; G238-L240 VanDerWaalsContact C-N 3.3Å; G238-L240 PolarHBondContact O-N 2.97Å; L240-L243 PolarHBondContact O-N 3.2Å; L240-G244 PolarHBondContact O-N 3.29Å
241	K	91.9	Very high	93.7	Very high	112 Å²	112	102.7 Å²	102.7	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-44.2	174.9	-76.6	171.4	-179.3	176.6	0	111.3	M237 G238 L243 G244 N245	M237-K241 WeakPolarHBondContact O-CB 3.45Å; M237-K241 VanDerWaalsContact O-CG 3.26Å; M237-K241 WeakPolarHBondContact O-CG 3.35Å; M237-K241 PolarHBondContact O-N 3.18Å; G238-K241 WeakPolarHBondContact O-CB 3.22Å; G238-K241 PolarHBondContact O-N 3.25Å; K241-L243 VanDerWaalsContact C-N 3.34Å; K241-L243 PolarHBondContact O-N 2.9Å; K241-G244 PolarHBondContact O-N 2.91Å; K241-N245 WeakPolarHBondContact O-CB 3.35Å; K241-N245 VanDerWaalsContact O-CG 3.23Å; K241-N245 PolarHBondContact O-N 3.43Å; K241-N245 PolarHBondContact O-ND2 2.75Å; K241-N245 VanDerWaalsContact O-ND2 3.13Å
242	D	94.6	Very high	93.3	Very high	106 Å²	106	98.4 Å²	98.4	57%	0.567	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-42.8	178.8	-69.1	-27	0	0	0	111.9	G238 K239 N245 L246	G238-D242 PolarHBondContact O-N 3.37Å; K239-D242 PolarHBondContact O-N 3.25Å; D242-N245 PolarHBondContact O-N 2.9Å; D242-L246 PolarHBondContact O-N 3.46Å
243	L	95.8	Very high	93.2	Very high	106 Å²	106	96.6 Å²	96.6	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-62.1	-45	173.8	-178.3	61	0	0	0	111.9	K239 L240 K241 N245 L246 I247	K239-L243 WeakPolarHBondContact O-CB 3.28Å; K239-L243 PolarHBondContact O-N 2.87Å; L240-L243 PolarHBondContact O-N 3.2Å; K241-L243 VanDerWaalsContact C-N 3.34Å; K241-L243 PolarHBondContact O-N 2.9Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 3.05Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 2.82Å; L243-I247 PolarHBondContact O-N 3Å
244	G	93.1	Very high	92.9	Very high	19 Å²	19	91.1 Å²	91.1	20%	0.196	47%	0.469	C	S	.	.	H	α-helix	trans	-60.9	-42.7	175.6	0	0	0	0	0	112	L240 K241 L246 I247 L248	L240-G244 PolarHBondContact O-N 3.29Å; K241-G244 PolarHBondContact O-N 2.91Å; G244-L246 VanDerWaalsContact C-N 3.33Å; G244-L246 PolarHBondContact O-N 3.25Å; G244-I247 PolarHBondContact O-N 2.91Å; G244-L248 WeakPolarHBondContact O-CB 3.48Å; G244-L248 WeakPolarHBondContact O-CG 3.21Å; G244-L248 PolarHBondContact O-N 2.95Å
245	N	93.1	Very high	92.6	Very high	25 Å²	25	85.8 Å²	85.8	13%	0.134	45%	0.447	C	S	.	.	H	α-helix	trans	-64.2	-36.5	176.9	-74.4	-33.3	0	0	0	112.5	K241 D242 L243 I247 L248 R249 S254 T255	K241-N245 WeakPolarHBondContact O-CB 3.35Å; K241-N245 VanDerWaalsContact O-CG 3.23Å; K241-N245 PolarHBondContact O-N 3.43Å; K241-N245 PolarHBondContact O-ND2 2.75Å; K241-N245 VanDerWaalsContact O-ND2 3.13Å; D242-N245 PolarHBondContact O-N 2.9Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 3.05Å; N245-I247 VanDerWaalsContact C-N 3.27Å; N245-I247 PolarHBondContact O-N 2.87Å; N245-L248 PolarHBondContact O-N 3.4Å; N245-R249 WeakPolarHBondContact O-CB 3.49Å; N245-R249 WeakPolarHBondContact O-CG 3.48Å; N245-R249 PolarHBondContact O-N 3.49Å; N245-S254 VanDerWaalsContact OD1-CA 3.24Å; N245-S254 WeakPolarHBondContact OD1-CA 3.24Å; N245-S254 PolarHBondContact OD1-OG 3.21Å; N245-T255 PolarHBondContact ND2-OG1 3.02Å; N245-T255 PolarHBondContact OD1-N 3.38Å; N245-T255 PolarHBondContact OD1-OG1 3.13Å
246	L	94.2	Very high	92.2	Very high	114 Å²	114	85.2 Å²	85.2	60%	0.597	45%	0.453	S	S	*	.	H	α-helix	trans	-58.2	-41.8	175.1	-175	66.8	0	0	0	111.7	D242 L243 G244	D242-L246 PolarHBondContact O-N 3.46Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 2.82Å; G244-L246 VanDerWaalsContact C-N 3.33Å; G244-L246 PolarHBondContact O-N 3.25Å
247	I	93.2	Very high	91.9	Very high	109 Å²	109	80.3 Å²	80.3	56%	0.559	43%	0.429	S	S	*	.	H	α-helix	trans	-74.2	-35.2	179.3	-62	171.2	0	0	0	111.6	L243 G244 N245 P250 F251	L243-I247 PolarHBondContact O-N 3Å; G244-I247 PolarHBondContact O-N 2.91Å; N245-I247 VanDerWaalsContact C-N 3.27Å; N245-I247 PolarHBondContact O-N 2.87Å; I247-P250 WeakPolarHBondContact O-CD 3.21Å; I247-F251 WeakPolarHBondContact O-CD2 3.26Å
248	L	91.4	Very high	91.8	Very high	34 Å²	34	79.8 Å²	79.8	18%	0.178	43%	0.425	C	S	.	.	H	α-helix	trans	-85	-25	-173.8	-70.3	175.2	0	0	0	113.9	G244 N245 F251 G252 L253 T255 F258	G244-L248 WeakPolarHBondContact O-CB 3.48Å; G244-L248 WeakPolarHBondContact O-CG 3.21Å; G244-L248 PolarHBondContact O-N 2.95Å; N245-L248 PolarHBondContact O-N 3.4Å; L248-F251 WeakPolarHBondContact O-CA 3.37Å; L248-F251 WeakPolarHBondContact O-CB 3.35Å; L248-F251 PolarHBondContact O-N 3.46Å; L248-G252 PolarHBondContact O-N 2.97Å; L248-L253 CarbonylContact C-O 3.59Å; L248-L253 VanDerWaalsContact C-O 3.24Å; L248-L253 HydrophobicContact CB-CB 3.84Å; L248-L253 WeakPolarHBondContact CB-O 3.38Å; L248-L253 HydrophobicContact CD2-CB 4.09Å; L248-L253 HydrophobicContact CD2-CD1 4.23Å; L248-L253 HydrophobicContact CG-CB 4.4Å; L248-L253 PolarHBondContact O-N 2.82Å; L248-L253 VanDerWaalsContact O-N 3.11Å; L248-T255 HydrophobicContact CD1-CG2 4.03Å; L248-F258 HydrophobicContact CD1-CD2 4.48Å; L248-F258 HydrophobicContact CD1-CE2 3.98Å; L248-F258 HydrophobicContact CD2-CE2 4.48Å
249	R	91.1	Very high	91.5	Very high	173 Å²	173	83 Å²	83	65%	0.653	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-52.1	-46.2	-179.7	-87.2	169	-169	-165.8	7.2	114.3	N245 F251 G252 L253	N245-R249 WeakPolarHBondContact O-CB 3.49Å; N245-R249 WeakPolarHBondContact O-CG 3.48Å; N245-R249 PolarHBondContact O-N 3.49Å; R249-F251 PolarHBondContact O-N 3.36Å; R249-F251 VanDerWaalsContact O-N 3.08Å; R249-G252 PolarHBondContact O-N 3.11Å; R249-L253 PolarHBondContact N-O 3.35Å
250	P	93.5	Very high	91	Very high	107 Å²	107	80.2 Å²	80.2	70%	0.695	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-59	-20.8	176.9	-25.3	35.2	0	0	0	114.4	I247	I247-P250 WeakPolarHBondContact O-CD 3.21Å
251	F	90.7	Very high	90.6	Very high	155 Å²	155	78.9 Å²	78.9	68%	0.68	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-97.7	5.6	178.5	-56.8	-79.4	0	0	0	112.8	I247 L248 R249 L253	I247-F251 WeakPolarHBondContact O-CD2 3.26Å; L248-F251 WeakPolarHBondContact O-CA 3.37Å; L248-F251 WeakPolarHBondContact O-CB 3.35Å; L248-F251 PolarHBondContact O-N 3.46Å; R249-F251 PolarHBondContact O-N 3.36Å; R249-F251 VanDerWaalsContact O-N 3.08Å; F251-L253 HydrophobicContact CB-CD1 4.21Å; F251-L253 HydrophobicContact CB-CG 4.13Å; F251-L253 PolarHBondContact O-N 3.08Å
252	G	88.3	Confident	90.4	Very high	44 Å²	44	78.8 Å²	78.8	45%	0.454	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	18.4	-174.4	0	0	0	0	0	113.6	L248 R249	L248-G252 PolarHBondContact O-N 2.97Å; R249-G252 PolarHBondContact O-N 3.11Å
253	L	90.1	Very high	90	Very high	46 Å²	46	76.6 Å²	76.6	24%	0.241	41%	0.41	C	S	.	.			trans	-108	162.6	-176.5	-62.5	-178	0	0	0	111.8	L248 R249 F251 F273	L248-L253 CarbonylContact C-O 3.59Å; L248-L253 VanDerWaalsContact C-O 3.24Å; L248-L253 HydrophobicContact CB-CB 3.84Å; L248-L253 WeakPolarHBondContact CB-O 3.38Å; L248-L253 HydrophobicContact CD2-CB 4.09Å; L248-L253 HydrophobicContact CD2-CD1 4.23Å; L248-L253 HydrophobicContact CG-CB 4.4Å; L248-L253 PolarHBondContact O-N 2.82Å; L248-L253 VanDerWaalsContact O-N 3.11Å; R249-L253 PolarHBondContact N-O 3.35Å; F251-L253 HydrophobicContact CB-CD1 4.21Å; F251-L253 HydrophobicContact CB-CG 4.13Å; F251-L253 PolarHBondContact O-N 3.08Å; L253-F273 HydrophobicContact CD2-CE2 3.95Å; L253-F273 HydrophobicContact CD2-CZ 3.61Å
254	S	90.2	Very high	89.6	Confident	29 Å²	29	78 Å²	78	20%	0.203	43%	0.425	C	S	.	.			trans	-141.5	154.9	175.5	166.9	0	0	0	0	109.7	N245 S256 N257	N245-S254 VanDerWaalsContact OD1-CA 3.24Å; N245-S254 WeakPolarHBondContact OD1-CA 3.24Å; N245-S254 PolarHBondContact OD1-OG 3.21Å; S254-S256 WeakPolarHBondContact CB-OG 3.4Å; S254-S256 PolarHBondContact O-N 2.79Å; S254-S256 VanDerWaalsContact O-N 3.12Å; S254-S256 PolarHBondContact OG-N 3.14Å; S254-S256 VanDerWaalsContact OG-N 3.15Å; S254-S256 PolarHBondContact OG-OG 3.43Å; S254-N257 PolarHBondContact N-OD1 3.31Å; S254-N257 VanDerWaalsContact O-CB 3.31Å; S254-N257 WeakPolarHBondContact O-CB 3.31Å; S254-N257 PolarHBondContact O-N 2.78Å; S254-N257 PolarHBondContact O-OD1 3.04Å
255	T	87.8	Confident	89.2	Confident	38 Å²	38	82.2 Å²	82.2	23%	0.233	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-58.3	-22.9	171.5	58.6	0	0	0	0	111.9	N245 L248 N257 F258	N245-T255 PolarHBondContact ND2-OG1 3.02Å; N245-T255 PolarHBondContact OD1-N 3.38Å; N245-T255 PolarHBondContact OD1-OG1 3.13Å; L248-T255 HydrophobicContact CD1-CG2 4.03Å; T255-N257 VanDerWaalsContact C-N 3.26Å; T255-N257 PolarHBondContact O-N 3.15Å; T255-F258 PolarHBondContact O-N 2.78Å
256	S	87.3	Confident	89	Confident	80 Å²	80	84.5 Å²	84.5	56%	0.559	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.4	173.8	60.7	0	0	0	0	114	S254 F258	S254-S256 WeakPolarHBondContact CB-OG 3.4Å; S254-S256 PolarHBondContact O-N 2.79Å; S254-S256 VanDerWaalsContact O-N 3.12Å; S254-S256 PolarHBondContact OG-N 3.14Å; S254-S256 VanDerWaalsContact OG-N 3.15Å; S254-S256 PolarHBondContact OG-OG 3.43Å; S256-F258 PolarHBondContact O-N 2.93Å
257	N	89.4	Confident	88.6	Confident	14 Å²	14	80.8 Å²	80.8	8%	0.075	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-71.1	-16.9	174.1	-64.9	108.5	0	0	0	112.3	S254 T255 F273 V274	S254-N257 PolarHBondContact N-OD1 3.31Å; S254-N257 VanDerWaalsContact O-CB 3.31Å; S254-N257 WeakPolarHBondContact O-CB 3.31Å; S254-N257 PolarHBondContact O-N 2.78Å; S254-N257 PolarHBondContact O-OD1 3.04Å; T255-N257 VanDerWaalsContact C-N 3.26Å; T255-N257 PolarHBondContact O-N 3.15Å; N257-F273 HydrophobicContact CB-CD2 3.9Å; N257-F273 HydrophobicContact CB-CE2 3.44Å; N257-F273 VanDerWaalsContact CB-CE2 3.44Å; N257-F273 HydrophobicContact CB-CZ 4.22Å; N257-F273 CarbonylContact O-C 3.54Å; N257-F273 WeakPolarHBondContact O-CA 3.37Å; N257-V274 WeakPolarHBondContact CA-O 3.43Å; N257-V274 WeakPolarHBondContact CB-O 3.48Å; N257-V274 PolarHBondContact ND2-O 3.12Å; N257-V274 PolarHBondContact O-N 2.61Å
258	F	88.9	Confident	88.3	Confident	84 Å²	84	78.7 Å²	78.7	37%	0.368	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.3	-178.1	-59.2	-91.4	0	0	0	109.5	L248 T255 S256 I271 F273	L248-F258 HydrophobicContact CD1-CD2 4.48Å; L248-F258 HydrophobicContact CD1-CE2 3.98Å; L248-F258 HydrophobicContact CD2-CE2 4.48Å; T255-F258 PolarHBondContact O-N 2.78Å; S256-F258 PolarHBondContact O-N 2.93Å; F258-I271 HydrophobicContact CB-CG2 4.18Å; F258-I271 HydrophobicContact CD1-CG2 4.24Å; F258-F273 AromaticContact CD1-CD2 3.77Å; F258-F273 HydrophobicContact CD1-CD2 3.77Å; F258-F273 HydrophobicContact CD2-CD2 4.38Å; F258-F273 AromaticContact CE1-CD2 3.49Å; F258-F273 HydrophobicContact CE1-CD2 3.49Å; F258-F273 VanDerWaalsContact CE1-CD2 3.49Å; F258-F273 HydrophobicContact CE1-CE2 4.04Å; F258-F273 HydrophobicContact CE1-CG 4.41Å; F258-F273 HydrophobicContact CE2-CD2 4.13Å; F258-F273 HydrophobicContact CE2-CE2 4.02Å; F258-F273 HydrophobicContact CG-CD2 4.21Å; F258-F273 AromaticContact CZ-CD2 3.69Å; F258-F273 HydrophobicContact CZ-CD2 3.69Å; F258-F273 AromaticContact CZ-CE2 3.74Å; F258-F273 HydrophobicContact CZ-CE2 3.74Å
259	Q	85.8	Confident	88.3	Confident	97 Å²	97	84.6 Å²	84.6	45%	0.453	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.8	177	-65	179.7	8.2	0	0	109.7	I271 N272 V274	Q259-I271 WeakPolarHBondContact O-CA 3.49Å; Q259-N272 PolarHBondContact N-O 3.2Å; Q259-N272 PolarHBondContact O-N 3.49Å; Q259-V274 HydrophobicContact CG-CG2 4.35Å
260	V	86.6	Confident	88.2	Confident	87 Å²	87	79.1 Å²	79.1	53%	0.527	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124	178	-174.6	0	0	0	0	108.9	Y269 S270 I271	V260-Y269 HydrophobicContact CG1-CD1 3.78Å; V260-S270 CarbonylContact C-O 3.59Å; V260-S270 WeakPolarHBondContact CA-O 3.37Å; V260-I271 HydrophobicContact CG2-CG1 4.25Å
261	N	85.4	Confident	88	Confident	77 Å²	77	79.4 Å²	79.4	41%	0.412	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125	174.3	-65.1	-60.6	0	0	0	109.5	S270 N272	N261-S270 PolarHBondContact N-O 2.9Å; N261-S270 PolarHBondContact O-N 3.4Å; N261-S270 PolarHBondContact O-OG 2.78Å; N261-N272 PolarHBondContact ND2-ND2 2.89Å
262	Q	87.4	Confident	87.9	Confident	110 Å²	110	76 Å²	76	51%	0.514	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.1	174.3	-169.3	178.7	21	0	0	109.8	P264 S268 Y269	Q262-P264 WeakPolarHBondContact O-CD 3.43Å; Q262-S268 WeakPolarHBondContact CA-O 3.5Å; Q262-Y269 HydrophobicContact CB-CD1 3.96Å; Q262-Y269 HydrophobicContact CB-CE1 3.88Å; Q262-Y269 HydrophobicContact CG-CD1 4.06Å; Q262-Y269 HydrophobicContact CG-CE1 3.79Å; Q262-Y269 VanDerWaalsContact NE2-CZ 3.32Å; Q262-Y269 PolarHBondContact NE2-OH 3.17Å; Q262-Y269 VanDerWaalsContact NE2-OH 3.13Å
263	D	87.3	Confident	87.9	Confident	61 Å²	61	78.2 Å²	78.2	33%	0.326	44%	0.444	S	S	.	.			trans	-74.4	119	172.2	175.2	0.4	0	0	0	109.7	S265 S266 G267 S268	D263-S265 PolarHBondContact O-N 2.79Å; D263-S265 PolarHBondContact OD1-N 3.13Å; D263-S265 PolarHBondContact OD1-OG 3.22Å; D263-S265 PolarHBondContact OD2-OG 3.17Å; D263-S266 WeakPolarHBondContact CB-OG 3.45Å; D263-S266 WeakPolarHBondContact OD2-CB 3.41Å; D263-S266 PolarHBondContact OD2-OG 2.85Å; D263-G267 VanDerWaalsContact O-CA 3.28Å; D263-G267 WeakPolarHBondContact O-CA 3.48Å; D263-G267 PolarHBondContact O-N 2.83Å; D263-S268 PolarHBondContact N-O 2.9Å
264	P	87.1	Confident	87.7	Confident	134 Å²	134	78.7 Å²	78.7	87%	0.87	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.4	-178.3	-19.2	30.6	0	0	0	114.1	Q262	Q262-P264 WeakPolarHBondContact O-CD 3.43Å
265	S	84.6	Confident	87	Confident	108 Å²	108	84.2 Å²	84.2	76%	0.755	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-36.3	-172.9	68.1	0	0	0	0	113.4	D263	D263-S265 PolarHBondContact O-N 2.79Å; D263-S265 PolarHBondContact OD1-N 3.13Å; D263-S265 PolarHBondContact OD1-OG 3.22Å; D263-S265 PolarHBondContact OD2-OG 3.17Å
266	S	88.2	Confident	85.7	Confident	73 Å²	73	87.8 Å²	87.8	51%	0.51	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-14.3	-179.3	65.3	0	0	0	0	113.4	D263 S268	D263-S266 WeakPolarHBondContact CB-OG 3.45Å; D263-S266 WeakPolarHBondContact OD2-CB 3.41Å; D263-S266 PolarHBondContact OD2-OG 2.85Å; S266-S268 PolarHBondContact O-N 2.83Å; S266-S268 VanDerWaalsContact O-N 3.17Å; S266-S268 WeakPolarHBondContact OG-CB 3.28Å; S266-S268 PolarHBondContact OG-N 2.76Å; S266-S268 PolarHBondContact OG-OG 3.33Å
267	G	85.8	Confident	84.3	Confident	36 Å²	36	89.1 Å²	89.1	37%	0.371	50%	0.496	S	S	.	.			trans	67.6	3.6	-171.4	0	0	0	0	0	113.9	D263	D263-G267 VanDerWaalsContact O-CA 3.28Å; D263-G267 WeakPolarHBondContact O-CA 3.48Å; D263-G267 PolarHBondContact O-N 2.83Å
268	S	87.9	Confident	82.5	Confident	65 Å²	65	95.6 Å²	95.6	46%	0.455	53%	0.531	S	S	.	.			trans	-71.6	144.9	-179	67.3	0	0	0	0	111.6	Q262 D263 S266	Q262-S268 WeakPolarHBondContact CA-O 3.5Å; D263-S268 PolarHBondContact N-O 2.9Å; S266-S268 PolarHBondContact O-N 2.83Å; S266-S268 VanDerWaalsContact O-N 3.17Å; S266-S268 WeakPolarHBondContact OG-CB 3.28Å; S266-S268 PolarHBondContact OG-N 2.76Å; S266-S268 PolarHBondContact OG-OG 3.33Å
269	Y	90.2	Very high	80.7	Confident	159 Å²	159	97.6 Å²	97.6	62%	0.624	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.2	177.9	-67.4	-89.5	0	0	0	110.1	V260 Q262	V260-Y269 HydrophobicContact CG1-CD1 3.78Å; Q262-Y269 HydrophobicContact CB-CD1 3.96Å; Q262-Y269 HydrophobicContact CB-CE1 3.88Å; Q262-Y269 HydrophobicContact CG-CD1 4.06Å; Q262-Y269 HydrophobicContact CG-CE1 3.79Å; Q262-Y269 VanDerWaalsContact NE2-CZ 3.32Å; Q262-Y269 PolarHBondContact NE2-OH 3.17Å; Q262-Y269 VanDerWaalsContact NE2-OH 3.13Å
270	S	90.1	Very high	78.8	Confident	58 Å²	58	100 Å²	100	41%	0.406	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	170.5	61	0	0	0	0	109.6	V260 N261	V260-S270 CarbonylContact C-O 3.59Å; V260-S270 WeakPolarHBondContact CA-O 3.37Å; N261-S270 PolarHBondContact N-O 2.9Å; N261-S270 PolarHBondContact O-N 3.4Å; N261-S270 PolarHBondContact O-OG 2.78Å
271	I	89.3	Confident	76.8	Confident	113 Å²	113	104.2 Å²	104.2	58%	0.579	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	-179.8	-53.6	179	0	0	0	107.9	F258 Q259 V260	F258-I271 HydrophobicContact CB-CG2 4.18Å; F258-I271 HydrophobicContact CD1-CG2 4.24Å; Q259-I271 WeakPolarHBondContact O-CA 3.49Å; V260-I271 HydrophobicContact CG2-CG1 4.25Å
272	N	88.6	Confident	74.6	Confident	84 Å²	84	106.7 Å²	106.7	45%	0.449	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	133.5	175.4	-67.6	-33.2	0	0	0	109.4	Q259 N261	Q259-N272 PolarHBondContact N-O 3.2Å; Q259-N272 PolarHBondContact O-N 3.49Å; N261-N272 PolarHBondContact ND2-ND2 2.89Å
273	F	89.1	Confident	72.2	Confident	89 Å²	89	108.7 Å²	108.7	39%	0.39	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	175.2	-179.6	-103.7	0	0	0	110.2	L253 N257 F258 Q275	L253-F273 HydrophobicContact CD2-CE2 3.95Å; L253-F273 HydrophobicContact CD2-CZ 3.61Å; N257-F273 HydrophobicContact CB-CD2 3.9Å; N257-F273 HydrophobicContact CB-CE2 3.44Å; N257-F273 VanDerWaalsContact CB-CE2 3.44Å; N257-F273 HydrophobicContact CB-CZ 4.22Å; N257-F273 CarbonylContact O-C 3.54Å; N257-F273 WeakPolarHBondContact O-CA 3.37Å; F258-F273 AromaticContact CD1-CD2 3.77Å; F258-F273 HydrophobicContact CD1-CD2 3.77Å; F258-F273 HydrophobicContact CD2-CD2 4.38Å; F258-F273 AromaticContact CE1-CD2 3.49Å; F258-F273 HydrophobicContact CE1-CD2 3.49Å; F258-F273 VanDerWaalsContact CE1-CD2 3.49Å; F258-F273 HydrophobicContact CE1-CE2 4.04Å; F258-F273 HydrophobicContact CE1-CG 4.41Å; F258-F273 HydrophobicContact CE2-CD2 4.13Å; F258-F273 HydrophobicContact CE2-CE2 4.02Å; F258-F273 HydrophobicContact CG-CD2 4.21Å; F258-F273 AromaticContact CZ-CD2 3.69Å; F258-F273 HydrophobicContact CZ-CD2 3.69Å; F258-F273 AromaticContact CZ-CE2 3.74Å; F258-F273 HydrophobicContact CZ-CE2 3.74Å; F273-Q275 HydrophobicContact CE1-CB 4.35Å; F273-Q275 HydrophobicContact CE1-CG 3.58Å; F273-Q275 HydrophobicContact CZ-CG 3.92Å
274	V	84.9	Confident	71.5	Confident	56 Å²	56	111.1 Å²	111.1	34%	0.339	66%	0.659	S	S	.	*			trans	-120.2	112.8	178.7	-175.5	0	0	0	0	108.8	N257 Q259 N276	N257-V274 WeakPolarHBondContact CA-O 3.43Å; N257-V274 WeakPolarHBondContact CB-O 3.48Å; N257-V274 PolarHBondContact ND2-O 3.12Å; N257-V274 PolarHBondContact O-N 2.61Å; Q259-V274 HydrophobicContact CG-CG2 4.35Å; V274-N276 PolarHBondContact O-N 3.25Å
275	Q	74.8	Confident	70.7	Confident	146 Å²	146	109.9 Å²	109.9	68%	0.682	65%	0.648	S	S	*	*			trans	-78.8	116.4	170.7	-106.6	164.3	8.1	0	0	109.2	F273 P277	F273-Q275 HydrophobicContact CE1-CB 4.35Å; F273-Q275 HydrophobicContact CE1-CG 3.58Å; F273-Q275 HydrophobicContact CZ-CG 3.92Å; Q275-P277 WeakPolarHBondContact O-CD 3.44Å
276	N	61.8	Low	69.9	Low	112 Å²	112	110 Å²	110	60%	0.599	64%	0.642	S	S	*	*			trans	-73.1	125.1	168.8	-86.9	3	0	0	0	108.9	V274 N278	V274-N276 PolarHBondContact O-N 3.25Å; N276-N278 PolarHBondContact O-N 2.72Å
277	P	57	Low	68.8	Low	109 Å²	109	112.2 Å²	112.2	71%	0.708	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-2.5	-174.7	23.9	-31.6	0	0	0	115.3	Q275	Q275-P277 WeakPolarHBondContact O-CD 3.44Å
278	N	51.8	Low	67.8	Low	150 Å²	150	116.9 Å²	116.9	80%	0.802	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	9.4	-171.8	-81	3.1	0	0	0	116.3	N276 N280	N276-N278 PolarHBondContact O-N 2.72Å; N278-N280 VanDerWaalsContact C-N 3.33Å
279	N	50.2	Low	66.4	Low	125 Å²	125	120.4 Å²	120.4	67%	0.668	68%	0.681	S	S	*	*			trans	-89.6	11	173.8	-102.7	13.7	0	0	0	114.5	H281	N279-H281 PolarHBondContact O-N 2.92Å
280	N	46.6	Very low	64.7	Low	148 Å²	148	117.6 Å²	117.6	79%	0.791	69%	0.685	S	S	*	*			trans	-94.2	65.1	177.3	-75.8	-5.2	0	0	0	112.4	N278	N278-N280 VanDerWaalsContact C-N 3.33Å
281	H	43.9	Very low	62.8	Low	175 Å²	175	122.2 Å²	122.2	81%	0.81	71%	0.707	S	S	*	*			trans	-139.1	123.8	160.7	-84.9	14.5	0	0	0	106.2	N279	N279-H281 PolarHBondContact O-N 2.92Å
282	T	40.2	Very low	60.5	Low	129 Å²	129	123 Å²	123	79%	0.791	72%	0.717	S	S	*	*			cis	-162.1	138.5	6	31.5	0	0	0	0	104.7
283	G	37.6	Very low	58	Low	153 Å²	153	126.5 Å²	126.5	100%	1.577	74%	0.742	S	S	*	*			trans	-74.5	0	165.7	0	0	0	0	0	112.4

Retrieved 283 of 283 residues in 84.9 ms (Link to these results)

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