A0A087Y0J3_POEFO Loading...

Uracil-DNA glycosylase

Excises uracil residues from the DNA which can arise as a result of misincorporation of dUMP residues by DNA polymerase or due to deamination of cytosine.

AlphaFold DB , UniProt , Accession A0A087Y0J3, Species POEFO (Poecilia formosa, Amazon molly), Gene UNG, Length 306 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	37.6	Very low	45.4	Very low	233 Å²	233	154.5 Å²	154.5	100%	1.148	80%	0.802	S	S	*	*				0	134.1	0	-100.6	-170.4	-86.8	0	0	108.4
2	I	40	Very low	44.8	Very low	178 Å²	178	150.8 Å²	150.8	91%	0.913	80%	0.8	S	S	*	*			trans	72.4	109.4	175.5	-48.2	156.2	0	0	0	112.9
3	G	39.1	Very low	44.6	Very low	66 Å²	66	148 Å²	148	68%	0.68	80%	0.795	S	S	*	*			cis	154.3	99.2	7.9	0	0	0	0	0	107.8	K5	G3-K5 PolarHBondContact O-N 2.95Å
4	Q	45.3	Very low	44	Very low	196 Å²	196	146.4 Å²	146.4	92%	0.916	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59.4	125	170.6	-108	168.4	-29.5	0	0	109.4
5	K	48.8	Very low	43.3	Very low	201 Å²	201	142.9 Å²	142.9	87%	0.874	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82	122.2	170.8	-70.5	-175.4	178.4	-179.3	0	109.1	G3	G3-K5 PolarHBondContact O-N 2.95Å
6	T	54.3	Low	42.7	Very low	111 Å²	111	146.1 Å²	146.1	68%	0.681	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-83.2	154.9	-180	38.9	0	0	0	0	112.3	N8 S9	T6-N8 PolarHBondContact O-N 3.16Å; T6-S9 PolarHBondContact O-N 3.05Å
7	I	51.7	Low	42	Very low	149 Å²	149	148.2 Å²	148.2	76%	0.764	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	2.6	-169.5	-152.6	161.8	0	0	0	115.8
8	N	46.9	Very low	41.2	Very low	140 Å²	140	153.3 Å²	153.3	75%	0.749	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	9.3	179.6	-76.9	-13.2	0	0	0	113.9	T6 F10	T6-N8 PolarHBondContact O-N 3.16Å; N8-F10 PolarHBondContact O-N 2.94Å
9	S	48.5	Very low	40.7	Very low	88 Å²	88	150.6 Å²	150.6	62%	0.615	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	4.6	169.9	69.4	0	0	0	0	113.9	T6	T6-S9 PolarHBondContact O-N 3.05Å
10	F	46.1	Very low	40.3	Very low	159 Å²	159	148.8 Å²	148.8	70%	0.697	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-6.1	-173.3	-85.2	-82.2	0	0	0	115.6	N8	N8-F10 PolarHBondContact O-N 2.94Å
11	F	41.2	Very low	39.8	Very low	178 Å²	178	149.7 Å²	149.7	78%	0.781	80%	0.802	S	S	*	*			trans	-150.4	118	178.4	-63.7	-78.5	0	0	0	110.3
12	S	37.7	Very low	39.5	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	79%	0.789	S	S	*	*				169	179.2	88.1	-59.5	0	0	0	0	109
13	P	42.8	Very low	39.2	Very low	114 Å²	114	145 Å²	145	74%	0.74	78%	0.782	S	S	*	*				-133.2	177.8	-51.8	32.4	-11.3	0	0	0	114.4
14	V	35.7	Very low	38.8	Very low	126 Å²	126	149 Å²	149	76%	0.764	79%	0.787	S	S	*	*			trans	100	103.8	148	-161.8	0	0	0	0	121.9
15	S	33.2	Very low	38	Very low	94 Å²	94	148.7 Å²	148.7	66%	0.657	79%	0.786	S	S	*	*				88.1	120.1	129.5	-67.2	0	0	0	0	126.6
16	K	33.8	Very low	37.4	Very low	194 Å²	194	145.2 Å²	145.2	84%	0.843	78%	0.784	S	S	*	*			trans	69.3	133.8	139.7	-66.6	178.1	-179.4	174.1	0	117.3
17	K	31.5	Very low	36.3	Very low	182 Å²	182	149.2 Å²	149.2	79%	0.791	80%	0.795	S	S	*	*			cis	-170.6	158.2	26	-139.5	179.2	-173.7	178.9	0	110.7
18	R	28	Very low	35.4	Very low	239 Å²	239	151 Å²	151	90%	0.902	80%	0.8	S	S	*	*			trans	68	140.2	164.7	-83.9	173.3	169.8	176.1	-3.6	117.4
19	A	31.7	Very low	34.5	Very low	103 Å²	103	152.5 Å²	152.5	85%	0.851	81%	0.808	S	S	*	*			cis	-153.4	156.4	7	0	0	0	0	0	109.2
20	S	32.7	Very low	33.7	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	81%	0.808	S	S	*	*			trans	-120.4	136.5	-175.7	50.4	0	0	0	0	111.4
21	N	29.8	Very low	32.9	Very low	168 Å²	168	152.8 Å²	152.8	90%	0.898	81%	0.814	S	S	*	*			trans	-131.1	122.4	166.8	-95.9	-4.9	0	0	0	109.3
22	E	31.5	Very low	32.4	Very low	188 Å²	188	153 Å²	153	88%	0.879	82%	0.818	S	S	*	*			trans	173.7	104.9	133.8	-96.3	-173.2	171.4	0	0	107.1
23	V	32.6	Very low	32.9	Very low	125 Å²	125	152.3 Å²	152.3	76%	0.758	81%	0.81	S	S	*	*				96.1	106.4	83.2	168.2	0	0	0	0	112.9
24	N	30.7	Very low	32.1	Very low	149 Å²	149	157.8 Å²	157.8	80%	0.797	82%	0.818	S	S	*	*			trans	56.7	112	139.8	-63.8	-11.3	0	0	0	122.9
25	Q	29.5	Very low	32	Very low	189 Å²	189	157.8 Å²	157.8	88%	0.883	82%	0.818	S	S	*	*			trans	-130.6	152	134	-73.9	-171	20.5	0	0	109.1
26	P	36.4	Very low	32	Very low	128 Å²	128	162.7 Å²	162.7	83%	0.831	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-88.9	164.1	-178.7	34.6	-29.3	0	0	0	113.7
27	E	31.4	Very low	32	Very low	195 Å²	195	160.6 Å²	160.6	91%	0.911	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64.2	149	-160.6	-65.9	170.7	156	0	0	118.1
28	E	31.1	Very low	32.1	Very low	186 Å²	186	159.2 Å²	159.2	87%	0.869	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-70.3	151.1	153.7	-80.8	178.4	138.7	0	0	111.4
29	N	29.6	Very low	32.2	Very low	173 Å²	173	157.4 Å²	157.4	93%	0.925	83%	0.827	S	S	*	*				-158.5	144.9	125.8	-118.4	-27.6	0	0	0	113.1
30	A	31	Very low	32.3	Very low	74 Å²	74	161.8 Å²	161.8	61%	0.612	83%	0.826	S	S	*	*			trans	-99.3	165.5	-169.6	0	0	0	0	0	114.1
31	Q	29.4	Very low	32.3	Very low	179 Å²	179	166.5 Å²	166.5	84%	0.836	83%	0.833	S	S	*	*			trans	85.6	97.5	148.7	-77.9	154.9	-33.5	0	0	121.5
32	E	29.9	Very low	32.4	Very low	182 Å²	182	167.1 Å²	167.1	85%	0.85	83%	0.83	S	S	*	*				52.2	166.4	122.4	-79.3	-165	174.9	0	0	122.7
33	P	47.8	Very low	32.5	Very low	96 Å²	96	168.3 Å²	168.3	62%	0.623	83%	0.832	S	S	*	*			cis	-133.1	167.1	-42.5	36.2	-20.4	0	0	0	111.3
34	Y	27.1	Very low	32.4	Very low	230 Å²	230	168.1 Å²	168.1	90%	0.902	84%	0.835	S	S	*	*			trans	-169.7	125.7	148	-115.9	-80.4	0	0	0	113.4
35	T	33.9	Very low	32.8	Very low	125 Å²	125	167.1 Å²	167.1	77%	0.767	84%	0.837	S	S	*	*			trans	-77.5	135.7	175.2	9.6	0	0	0	0	112.5
36	K	33.7	Very low	33.3	Very low	197 Å²	197	163 Å²	163	86%	0.857	83%	0.829	S	S	*	*			trans	-147.8	101.2	155.2	-84.3	-174.5	179.4	172.3	0	108.3
37	I	33	Very low	33.8	Very low	151 Å²	151	163.5 Å²	163.5	77%	0.774	83%	0.829	S	S	*	*				63.5	104.5	92.4	-59.1	172.1	0	0	0	113.7
38	L	33.1	Very low	34.3	Very low	153 Å²	153	161.7 Å²	161.7	80%	0.801	83%	0.825	S	S	*	*			trans	-2	132.3	145.4	-78.7	137.2	0	0	0	117.8
39	Q	31.4	Very low	34.8	Very low	201 Å²	201	156.9 Å²	156.9	94%	0.939	82%	0.817	S	S	*	*			trans	-150	124.2	132.3	-109.5	170.7	37.2	0	0	113.3
40	K	32	Very low	35.4	Very low	194 Å²	194	156.7 Å²	156.7	84%	0.843	81%	0.811	S	S	*	*			trans	-62.4	136.5	176.3	-127.2	169.5	177.4	175.2	0	110.9
41	K	34	Very low	36.1	Very low	213 Å²	213	162.2 Å²	162.2	93%	0.926	82%	0.824	S	S	*	*			trans	-134	121.7	148.6	-97.4	-176.4	178	177.7	0	110.2
42	Q	32.3	Very low	36.9	Very low	182 Å²	182	161.7 Å²	161.7	85%	0.85	82%	0.822	S	S	*	*			trans	-60.6	145.3	-177.6	-75.2	153.7	-52.6	0	0	113
43	K	31.8	Very low	37.8	Very low	213 Å²	213	157.9 Å²	157.9	93%	0.926	82%	0.815	S	S	*	*			trans	-128.2	127.6	150.4	-105.5	180	175.5	-179.2	0	108.5
44	C	30.4	Very low	38.1	Very low	120 Å²	120	158.6 Å²	158.6	81%	0.811	82%	0.819	S	S	*	*			trans	-66.3	155.9	173.6	-69.1	0	0	0	0	111.5
45	P	40.6	Very low	39.6	Very low	129 Å²	129	153 Å²	153	84%	0.838	81%	0.812	S	S	*	*			trans	-87.9	127.6	-174.4	33.4	-28.7	0	0	0	111
46	S	39.7	Very low	41.1	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	82%	0.815	S	S	*	*			trans	-110.9	114.5	159.3	63.6	0	0	0	0	108.4	L48	S46-L48 PolarHBondContact O-N 3.44Å
47	V	46.5	Very low	42.8	Very low	138 Å²	138	146.4 Å²	146.4	84%	0.836	80%	0.8	S	S	*	*			trans	-58.1	112.3	174.9	-175	0	0	0	0	108.8
48	L	41.5	Very low	44.9	Very low	156 Å²	156	145.6 Å²	145.6	82%	0.817	81%	0.805	S	S	*	*			trans	-115.5	109.8	158.8	-76.2	170.4	0	0	0	105.9	S46 E50	S46-L48 PolarHBondContact O-N 3.44Å; L48-E50 PolarHBondContact O-N 3.2Å
49	A	42	Very low	47.3	Very low	85 Å²	85	142.4 Å²	142.4	70%	0.702	79%	0.788	S	S	*	*			trans	-54	118.7	174.2	0	0	0	0	0	109.1	Q51	A49-Q51 VanDerWaalsContact C-N 3.34Å; A49-Q51 PolarHBondContact O-N 2.95Å
50	E	43.3	Very low	50	Low	170 Å²	170	134.9 Å²	134.9	79%	0.794	76%	0.758	S	S	*	*			trans	-62.6	101.4	161.3	-76.1	179.4	160.2	0	0	107	L48 Q52	L48-E50 PolarHBondContact O-N 3.2Å; E50-Q52 PolarHBondContact O-N 3.39Å
51	Q	45.6	Very low	52.7	Low	189 Å²	189	130.9 Å²	130.9	88%	0.883	75%	0.752	S	S	*	*			trans	-64	94	158.8	-77.3	-178.3	-22.5	0	0	106.6	A49 S53	A49-Q51 VanDerWaalsContact C-N 3.34Å; A49-Q51 PolarHBondContact O-N 2.95Å; Q51-S53 PolarHBondContact O-N 2.98Å
52	Q	45.2	Very low	55.2	Low	169 Å²	169	128.2 Å²	128.2	79%	0.79	74%	0.743	S	S	*	*			trans	-59.7	105.2	166.5	-72.2	179.5	-7.9	0	0	107	E50	E50-Q52 PolarHBondContact O-N 3.39Å
53	S	49.9	Very low	57.9	Low	102 Å²	102	123.3 Å²	123.3	71%	0.713	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-51.9	130.9	165.9	44.4	0	0	0	0	108	Q51	Q51-S53 PolarHBondContact O-N 2.98Å
54	P	54.1	Low	60.6	Low	110 Å²	110	117.5 Å²	117.5	71%	0.714	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.1	144.9	-179.4	21.5	-31.1	0	0	0	109.6
55	P	58.7	Low	63.4	Low	114 Å²	114	117.2 Å²	117.2	74%	0.74	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-53.2	140.2	175.3	23.7	-32.4	0	0	0	108.3	G57	P55-G57 PolarHBondContact O-N 2.84Å
56	P	64.6	Low	65.7	Low	130 Å²	130	118.6 Å²	118.6	84%	0.844	67%	0.673	S	S	*	*			trans	-54.7	113.9	-175.3	19.7	-29.7	0	0	0	108.7
57	G	68.6	Low	68	Low	52 Å²	52	118.7 Å²	118.7	54%	0.536	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-59.9	160.2	174.6	0	0	0	0	0	110.3	P55 L59	P55-G57 PolarHBondContact O-N 2.84Å; G57-L59 PolarHBondContact O-N 2.91Å
58	P	78.8	Confident	70	Confident	135 Å²	135	114.9 Å²	114.9	88%	0.877	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-53.6	135.3	175.9	18	-26.6	0	0	0	110.3	S60	P58-S60 PolarHBondContact O-N 3.24Å
59	L	82.1	Confident	72.3	Confident	85 Å²	85	115 Å²	115	45%	0.445	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-56.2	135.7	-176.8	-67.3	167.7	0	0	0	110.6	G57 Q63 L64 M67	G57-L59 PolarHBondContact O-N 2.91Å; L59-Q63 HydrophobicContact CB-CB 4.44Å; L59-Q63 HydrophobicContact CD2-CB 4.33Å; L59-L64 HydrophobicContact CB-CD1 4.49Å; L59-L64 HydrophobicContact CB-CD2 3.95Å; L59-L64 HydrophobicContact CB-CG 3.85Å; L59-L64 HydrophobicContact CD1-CD2 3.69Å; L59-L64 HydrophobicContact CD1-CG 4.46Å; L59-L64 HydrophobicContact CG-CD2 4.49Å; L59-M67 HydrophobicContact CD1-CE 4.22Å; L59-M67 HydrophobicContact CD1-SD 3.7Å; L59-M67 HydrophobicContact CD2-SD 4.25Å
60	S	89	Confident	74.5	Confident	43 Å²	43	115.7 Å²	115.7	30%	0.301	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-66	154.9	174.1	81.2	0	0	0	0	110.8	P58 E62 Q63 L64	P58-S60 PolarHBondContact O-N 3.24Å; S60-E62 PolarHBondContact O-N 3.35Å; S60-Q63 WeakPolarHBondContact O-CB 3.35Å; S60-Q63 PolarHBondContact O-N 2.85Å; S60-Q63 VanDerWaalsContact OG-CG 3.32Å; S60-Q63 WeakPolarHBondContact OG-CG 3.35Å; S60-Q63 PolarHBondContact OG-N 3.27Å; S60-Q63 VanDerWaalsContact OG-N 3.16Å; S60-L64 PolarHBondContact O-N 3.48Å
61	P	87.4	Confident	76.5	Confident	111 Å²	111	114.5 Å²	114.5	72%	0.721	62%	0.621	S	S	*	*	H	α-helix	trans	-52.7	-38.9	175	-28	35.6	0	0	0	113.1	L64 E65	P61-L64 PolarHBondContact O-N 3.22Å; P61-E65 PolarHBondContact O-N 3.4Å
62	E	87.7	Confident	78.3	Confident	157 Å²	157	114.5 Å²	114.5	73%	0.734	61%	0.612	S	S	*	*	H	α-helix	trans	-68.4	-38.6	177.8	-166.8	-177.9	-179.9	0	0	112.4	S60 E65 R66	S60-E62 PolarHBondContact O-N 3.35Å; E62-E65 PolarHBondContact O-N 2.9Å; E62-R66 WeakPolarHBondContact O-CB 3.32Å; E62-R66 PolarHBondContact O-N 3.38Å
63	Q	87.8	Confident	80.1	Confident	79 Å²	79	108.1 Å²	108.1	37%	0.369	59%	0.588	S	S	.	*	H	α-helix	trans	-65	-41.6	173.9	-72.8	172.1	-35.2	0	0	111.6	L59 S60 R66 M67	L59-Q63 HydrophobicContact CB-CB 4.44Å; L59-Q63 HydrophobicContact CD2-CB 4.33Å; S60-Q63 WeakPolarHBondContact O-CB 3.35Å; S60-Q63 PolarHBondContact O-N 2.85Å; S60-Q63 VanDerWaalsContact OG-CG 3.32Å; S60-Q63 WeakPolarHBondContact OG-CG 3.35Å; S60-Q63 PolarHBondContact OG-N 3.27Å; S60-Q63 VanDerWaalsContact OG-N 3.16Å; Q63-R66 PolarHBondContact O-N 3.44Å; Q63-M67 WeakPolarHBondContact O-CB 3.44Å; Q63-M67 VanDerWaalsContact O-CG 3.24Å; Q63-M67 WeakPolarHBondContact O-CG 3.38Å; Q63-M67 PolarHBondContact O-N 3.34Å
64	L	88.5	Confident	81.5	Confident	90 Å²	90	105.5 Å²	105.5	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-62.7	-44.5	175.3	-72.7	169.6	0	0	0	111.6	L59 S60 P61 M67 A68	L59-L64 HydrophobicContact CB-CD1 4.49Å; L59-L64 HydrophobicContact CB-CD2 3.95Å; L59-L64 HydrophobicContact CB-CG 3.85Å; L59-L64 HydrophobicContact CD1-CD2 3.69Å; L59-L64 HydrophobicContact CD1-CG 4.46Å; L59-L64 HydrophobicContact CG-CD2 4.49Å; S60-L64 PolarHBondContact O-N 3.48Å; P61-L64 PolarHBondContact O-N 3.22Å; L64-M67 PolarHBondContact O-N 2.89Å; L64-A68 WeakPolarHBondContact O-CB 3.4Å; L64-A68 PolarHBondContact O-N 3.35Å
65	E	89.9	Confident	82.7	Confident	114 Å²	114	104 Å²	104	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-42.8	178	-161.7	-167.6	146.5	0	0	111.5	P61 E62 M67 A68 R69	P61-E65 PolarHBondContact O-N 3.4Å; E62-E65 PolarHBondContact O-N 2.9Å; E65-M67 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 2.9Å; E65-R69 WeakPolarHBondContact O-CB 3.24Å; E65-R69 PolarHBondContact O-N 3.08Å; E65-R69 IonicContact OE1-NH2 2.95Å; E65-R69 PolarHBondContact OE1-NH2 3.39Å
66	R	89.8	Confident	83.6	Confident	158 Å²	158	103.8 Å²	103.8	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-61.6	-43.2	174.9	-171.4	175.8	71.1	-178.1	3.1	111.7	E62 Q63 R69 N70	E62-R66 WeakPolarHBondContact O-CB 3.32Å; E62-R66 PolarHBondContact O-N 3.38Å; Q63-R66 PolarHBondContact O-N 3.44Å; R66-R69 PolarHBondContact O-N 2.96Å; R66-N70 WeakPolarHBondContact O-CB 3.38Å; R66-N70 VanDerWaalsContact O-CG 3.23Å; R66-N70 PolarHBondContact O-N 3.45Å
67	M	87	Confident	84.2	Confident	105 Å²	105	106.9 Å²	106.9	52%	0.517	54%	0.542	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.4	-74.8	174.4	69.4	0	0	111.7	L59 Q63 L64 E65 N70 K71	L59-M67 HydrophobicContact CD1-CE 4.22Å; L59-M67 HydrophobicContact CD1-SD 3.7Å; L59-M67 HydrophobicContact CD2-SD 4.25Å; Q63-M67 WeakPolarHBondContact O-CB 3.44Å; Q63-M67 VanDerWaalsContact O-CG 3.24Å; Q63-M67 WeakPolarHBondContact O-CG 3.38Å; Q63-M67 PolarHBondContact O-N 3.34Å; L64-M67 PolarHBondContact O-N 2.89Å; E65-M67 PolarHBondContact O-N 3.32Å; M67-N70 PolarHBondContact O-N 3.49Å; M67-K71 VanDerWaalsContact O-CB 3.24Å; M67-K71 WeakPolarHBondContact O-CB 3.47Å; M67-K71 PolarHBondContact O-N 3.41Å
68	A	88.9	Confident	84.5	Confident	59 Å²	59	108.9 Å²	108.9	49%	0.488	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-43.8	175.8	0	0	0	0	0	111.7	L64 E65 K71 R72	L64-A68 WeakPolarHBondContact O-CB 3.4Å; L64-A68 PolarHBondContact O-N 3.35Å; E65-A68 PolarHBondContact O-N 2.9Å; A68-K71 PolarHBondContact O-N 3.21Å; A68-R72 WeakPolarHBondContact O-CB 3.49Å; A68-R72 PolarHBondContact O-N 3.05Å
69	R	89.2	Confident	84.2	Confident	158 Å²	158	103.2 Å²	103.2	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-46.7	176.7	-167.5	-179.8	-62.2	-178.1	2.7	111.8	E65 R66 R72 A73	E65-R69 WeakPolarHBondContact O-CB 3.24Å; E65-R69 PolarHBondContact O-N 3.08Å; E65-R69 IonicContact OE1-NH2 2.95Å; E65-R69 PolarHBondContact OE1-NH2 3.39Å; R66-R69 PolarHBondContact O-N 2.96Å; R69-R72 PolarHBondContact O-N 2.77Å; R69-A73 WeakPolarHBondContact O-CB 3.34Å; R69-A73 PolarHBondContact O-N 3.06Å
70	N	88.1	Confident	83.8	Confident	99 Å²	99	102.4 Å²	102.4	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-41.6	177	-72.1	-9.9	0	0	0	111.8	R66 M67 A73 A74	R66-N70 WeakPolarHBondContact O-CB 3.38Å; R66-N70 VanDerWaalsContact O-CG 3.23Å; R66-N70 PolarHBondContact O-N 3.45Å; M67-N70 PolarHBondContact O-N 3.49Å; N70-A73 PolarHBondContact O-N 2.98Å; N70-A74 WeakPolarHBondContact O-CB 3.41Å; N70-A74 PolarHBondContact O-N 2.91Å
71	K	85.9	Confident	83.1	Confident	146 Å²	146	104.4 Å²	104.4	64%	0.635	53%	0.525	S	S	*	.	H	α-helix	trans	-61.8	-44.3	175	-174.8	178.2	-178.9	180	0	111.2	M67 A68 A74 L75	M67-K71 VanDerWaalsContact O-CB 3.24Å; M67-K71 WeakPolarHBondContact O-CB 3.47Å; M67-K71 PolarHBondContact O-N 3.41Å; A68-K71 PolarHBondContact O-N 3.21Å; K71-A74 PolarHBondContact O-N 3.18Å; K71-L75 HydrophobicContact CG-CD1 4.24Å; K71-L75 WeakPolarHBondContact O-CB 3.27Å; K71-L75 VanDerWaalsContact O-CG 3.29Å; K71-L75 WeakPolarHBondContact O-CG 3.4Å; K71-L75 PolarHBondContact O-N 2.88Å
72	R	83.9	Confident	82.6	Confident	189 Å²	189	102.2 Å²	102.2	71%	0.713	51%	0.506	S	S	*	.	H	α-helix	trans	-60.9	-48.9	176	-176.4	176.1	174.4	173.6	-1.7	111.4	A68 R69 A74 L75 E76	A68-R72 WeakPolarHBondContact O-CB 3.49Å; A68-R72 PolarHBondContact O-N 3.05Å; R69-R72 PolarHBondContact O-N 2.77Å; R72-A74 VanDerWaalsContact C-N 3.33Å; R72-A74 PolarHBondContact O-N 3.49Å; R72-L75 PolarHBondContact O-N 3.07Å; R72-E76 WeakPolarHBondContact O-CB 3.45Å; R72-E76 PolarHBondContact O-N 3.47Å
73	A	82.3	Confident	82.4	Confident	34 Å²	34	96 Å²	96	28%	0.281	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-38.6	178.2	0	0	0	0	0	112.6	R69 N70 E76 R77	R69-A73 WeakPolarHBondContact O-CB 3.34Å; R69-A73 PolarHBondContact O-N 3.06Å; N70-A73 PolarHBondContact O-N 2.98Å; A73-E76 PolarHBondContact O-N 3.22Å; A73-R77 WeakPolarHBondContact O-CG 3.35Å; A73-R77 PolarHBondContact O-N 3.18Å
74	A	80.2	Confident	82.2	Confident	47 Å²	47	93 Å²	93	39%	0.388	47%	0.466	S	S	.	.	H	α-helix	trans	-65.9	-43.8	175.5	0	0	0	0	0	112	N70 K71 R72 E76 R77 L78	N70-A74 WeakPolarHBondContact O-CB 3.41Å; N70-A74 PolarHBondContact O-N 2.91Å; K71-A74 PolarHBondContact O-N 3.18Å; R72-A74 VanDerWaalsContact C-N 3.33Å; R72-A74 PolarHBondContact O-N 3.49Å; A74-E76 VanDerWaalsContact C-N 3.31Å; A74-E76 PolarHBondContact O-N 3Å; A74-R77 PolarHBondContact O-N 3.35Å; A74-L78 WeakPolarHBondContact O-CG 3.39Å; A74-L78 PolarHBondContact O-N 2.93Å
75	L	79.3	Confident	82	Confident	79 Å²	79	93.3 Å²	93.3	41%	0.414	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-38.3	175.9	-72.7	171.6	0	0	0	112.1	K71 R72 L78 A79	K71-L75 HydrophobicContact CG-CD1 4.24Å; K71-L75 WeakPolarHBondContact O-CB 3.27Å; K71-L75 VanDerWaalsContact O-CG 3.29Å; K71-L75 WeakPolarHBondContact O-CG 3.4Å; K71-L75 PolarHBondContact O-N 2.88Å; R72-L75 PolarHBondContact O-N 3.07Å; L75-L78 PolarHBondContact O-N 3.46Å; L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 3.16Å
76	E	76.8	Confident	81.7	Confident	109 Å²	109	89 Å²	89	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-67.1	-44.1	177.5	-173.2	167.2	-158.2	0	0	112	R72 A73 A74 L78 A79 S80	R72-E76 WeakPolarHBondContact O-CB 3.45Å; R72-E76 PolarHBondContact O-N 3.47Å; A73-E76 PolarHBondContact O-N 3.22Å; A74-E76 VanDerWaalsContact C-N 3.31Å; A74-E76 PolarHBondContact O-N 3Å; E76-L78 PolarHBondContact O-N 3.31Å; E76-A79 PolarHBondContact O-N 3.29Å; E76-S80 WeakPolarHBondContact O-CB 3.43Å; E76-S80 PolarHBondContact O-N 3.02Å
77	R	77	Confident	81.9	Confident	195 Å²	195	82.4 Å²	82.4	74%	0.736	44%	0.436	S	S	*	.	H	α-helix	trans	-60.4	-44.2	172.9	-74.5	177.2	-175.9	159.3	1.8	112.3	A73 A74 S80 A81	A73-R77 WeakPolarHBondContact O-CG 3.35Å; A73-R77 PolarHBondContact O-N 3.18Å; A74-R77 PolarHBondContact O-N 3.35Å; R77-S80 PolarHBondContact O-N 3.26Å; R77-A81 WeakPolarHBondContact O-CB 3.28Å; R77-A81 PolarHBondContact O-N 2.87Å
78	L	75.1	Confident	82.3	Confident	94 Å²	94	78 Å²	78	49%	0.492	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-39.5	177	-73.8	170.8	0	0	0	112.1	A74 L75 E76 Q82	A74-L78 WeakPolarHBondContact O-CG 3.39Å; A74-L78 PolarHBondContact O-N 2.93Å; L75-L78 PolarHBondContact O-N 3.46Å; E76-L78 PolarHBondContact O-N 3.31Å; L78-Q82 WeakPolarHBondContact O-CG 3.46Å; L78-Q82 PolarHBondContact O-N 2.97Å; L78-Q82 PolarHBondContact O-NE2 3.41Å
79	A	72.7	Confident	82.4	Confident	17 Å²	17	80.2 Å²	80.2	14%	0.14	42%	0.417	C	S	.	.	H	α-helix	trans	-64.5	-46.1	175.5	0	0	0	0	0	111.1	L75 E76 A81 Q82 T83	L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 3.16Å; E76-A79 PolarHBondContact O-N 3.29Å; A79-A81 VanDerWaalsContact C-N 3.33Å; A79-A81 PolarHBondContact O-N 3.49Å; A79-Q82 PolarHBondContact O-N 3.11Å; A79-T83 PolarHBondContact O-N 3.18Å; A79-T83 VanDerWaalsContact O-N 3.12Å; A79-T83 PolarHBondContact O-OG1 3.02Å
80	S	73.5	Confident	82.8	Confident	67 Å²	67	73.6 Å²	73.6	47%	0.469	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-39.4	178	-170.1	0	0	0	0	112.6	E76 R77 Q82 T83	E76-S80 WeakPolarHBondContact O-CB 3.43Å; E76-S80 PolarHBondContact O-N 3.02Å; R77-S80 PolarHBondContact O-N 3.26Å; S80-Q82 PolarHBondContact O-N 3.12Å; S80-T83 PolarHBondContact O-N 3.12Å
81	A	75.1	Confident	83.2	Confident	85 Å²	85	69 Å²	69	70%	0.702	37%	0.37	S	S	*	.	H	α-helix	trans	-68.8	-21.9	179.4	0	0	0	0	0	113.7	R77 A79	R77-A81 WeakPolarHBondContact O-CB 3.28Å; R77-A81 PolarHBondContact O-N 2.87Å; A79-A81 VanDerWaalsContact C-N 3.33Å; A79-A81 PolarHBondContact O-N 3.49Å
82	Q	76.9	Confident	83.6	Confident	66 Å²	66	64.2 Å²	64.2	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-104.3	-4.5	-176.8	-65.3	176.3	41.9	0	0	113	L78 A79 S80 F99	L78-Q82 WeakPolarHBondContact O-CG 3.46Å; L78-Q82 PolarHBondContact O-N 2.97Å; L78-Q82 PolarHBondContact O-NE2 3.41Å; A79-Q82 PolarHBondContact O-N 3.11Å; S80-Q82 PolarHBondContact O-N 3.12Å; Q82-F99 HydrophobicContact CB-CB 4.45Å
83	T	82.9	Confident	84	Confident	26 Å²	26	62.5 Å²	62.5	16%	0.16	35%	0.346	C	S	.	.	S	Bend	trans	-81.9	132.2	-179.9	-57.4	0	0	0	0	109.6	A79 S80 F87 R92 F99	A79-T83 PolarHBondContact O-N 3.18Å; A79-T83 VanDerWaalsContact O-N 3.12Å; A79-T83 PolarHBondContact O-OG1 3.02Å; S80-T83 PolarHBondContact O-N 3.12Å; T83-F87 HydrophobicContact CG2-CB 3.64Å; T83-F87 HydrophobicContact CG2-CG 4.19Å; T83-R92 HydrophobicContact CG2-CG 3.66Å; T83-R92 WeakPolarHBondContact OG1-CD 3.46Å; T83-R92 WeakPolarHBondContact OG1-CG 3.39Å; T83-F99 HydrophobicContact CG2-CE2 3.93Å; T83-F99 HydrophobicContact CG2-CZ 4.44Å
84	P	83.6	Confident	84.6	Confident	15 Å²	15	64.5 Å²	64.5	10%	0.097	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-59	150.4	170.5	-21.5	31.9	0	0	0	112.4	F104 M108 F128	P84-F104 HydrophobicContact CG-CE1 3.78Å; P84-F104 HydrophobicContact CG-CZ 3.7Å; P84-M108 HydrophobicContact CG-SD 4.2Å; P84-F128 HydrophobicContact CB-CD2 4.02Å; P84-F128 HydrophobicContact CB-CE2 3.28Å; P84-F128 HydrophobicContact CB-CZ 3.87Å; P84-F128 HydrophobicContact CG-CE2 3.81Å; P84-F128 HydrophobicContact CG-CZ 3.84Å
85	P	83.7	Confident	85.4	Confident	97 Å²	97	62.5 Å²	62.5	63%	0.63	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	148.5	173.1	28	-34.7	0	0	0	111.1
86	G	84.5	Confident	86	Confident	25 Å²	25	59.5 Å²	59.5	26%	0.258	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	17.1	177.3	0	0	0	0	0	115.2	F128 E132	G86-F128 WeakPolarHBondContact O-CB 3.44Å; G86-E132 VanDerWaalsContact O-CD 3.26Å; G86-E132 VanDerWaalsContact O-CG 3.26Å; G86-E132 WeakPolarHBondContact O-CG 3.43Å
87	F	93.5	Very high	86.8	Confident	19 Å²	19	57 Å²	57	8%	0.083	32%	0.317	C	S	.	.			trans	-92.4	124	179.5	-147.9	-80.7	0	0	0	111.6	T83 W91 R92 L95 F99 F128 W130 F227	T83-F87 HydrophobicContact CG2-CB 3.64Å; T83-F87 HydrophobicContact CG2-CG 4.19Å; F87-W91 HydrophobicContact CD1-CB 4.15Å; F87-W91 HydrophobicContact CE1-CB 3.45Å; F87-W91 VanDerWaalsContact CE1-CB 3.45Å; F87-W91 HydrophobicContact CZ-CB 4.25Å; F87-R92 HydrophobicContact CD1-CB 3.84Å; F87-R92 HydrophobicContact CE1-CB 4.42Å; F87-L95 HydrophobicContact CE1-CD1 4.23Å; F87-L95 HydrophobicContact CZ-CD1 3.84Å; F87-F99 HydrophobicContact CD1-CZ 4.11Å; F87-F99 HydrophobicContact CD2-CE1 4.49Å; F87-F99 HydrophobicContact CD2-CZ 4.08Å; F87-F99 AromaticContact CE1-CZ 3.84Å; F87-F99 HydrophobicContact CE1-CZ 3.84Å; F87-F99 HydrophobicContact CE2-CE1 4.07Å; F87-F99 AromaticContact CE2-CZ 3.86Å; F87-F99 HydrophobicContact CE2-CZ 3.86Å; F87-F99 HydrophobicContact CG-CZ 4.22Å; F87-F99 HydrophobicContact CZ-CE1 4.21Å; F87-F99 AromaticContact CZ-CZ 3.74Å; F87-F99 HydrophobicContact CZ-CZ 3.74Å; F87-F128 HydrophobicContact CD2-CB 3.89Å; F87-F128 AromaticContact CD2-CD1 3.41Å; F87-F128 HydrophobicContact CD2-CD1 3.41Å; F87-F128 VanDerWaalsContact CD2-CD1 3.41Å; F87-F128 AromaticContact CD2-CD2 3.91Å; F87-F128 HydrophobicContact CD2-CD2 3.91Å; F87-F128 AromaticContact CD2-CE1 3.8Å; F87-F128 HydrophobicContact CD2-CE1 3.8Å; F87-F128 HydrophobicContact CD2-CE2 4.28Å; F87-F128 AromaticContact CD2-CG 3.44Å; F87-F128 HydrophobicContact CD2-CG 3.44Å; F87-F128 VanDerWaalsContact CD2-CG 3.44Å; F87-F128 HydrophobicContact CD2-CZ 4.2Å; F87-F128 HydrophobicContact CE2-CB 4.41Å; F87-F128 AromaticContact CE2-CD1 3.31Å; F87-F128 HydrophobicContact CE2-CD1 3.31Å; F87-F128 AromaticContact CE2-CE1 3.57Å; F87-F128 HydrophobicContact CE2-CE1 3.57Å; F87-F128 AromaticContact CE2-CG 3.88Å; F87-F128 HydrophobicContact CE2-CG 3.88Å; F87-F128 HydrophobicContact CE2-CZ 4.33Å; F87-F128 HydrophobicContact CG-CB 4.5Å; F87-F128 HydrophobicContact CG-CG 4.43Å; F87-W130 HydrophobicContact CE2-CH2 4.4Å; F87-W130 HydrophobicContact CE2-CZ2 4.21Å; F87-W130 AromaticContact CZ-CH2 3.96Å; F87-W130 HydrophobicContact CZ-CH2 3.96Å; F87-W130 HydrophobicContact CZ-CZ2 4.24Å; F87-F227 HydrophobicContact CE2-CE1 4.32Å; F87-F227 AromaticContact CE2-CZ 3.71Å; F87-F227 HydrophobicContact CE2-CZ 3.71Å; F87-F227 AromaticContact CZ-CZ 3.79Å; F87-F227 HydrophobicContact CZ-CZ 3.79Å
88	G	94.3	Very high	87.7	Confident	11 Å²	11	48.8 Å²	48.8	11%	0.113	29%	0.286	C	S	.	.			trans	-64.5	139.9	-179.5	0	0	0	0	0	113.3	S90 W91 R92 S131	G88-S90 PolarHBondContact O-N 3.04Å; G88-W91 PolarHBondContact O-N 3.23Å; G88-R92 WeakPolarHBondContact O-CB 3.3Å; G88-R92 PolarHBondContact O-N 2.82Å; G88-S131 PolarHBondContact N-OG 2.79Å
89	E	92.9	Very high	88.6	Confident	107 Å²	107	44.5 Å²	44.5	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-57.8	-44.9	-170.3	-174.2	57.5	-137.2	0	0	113.7	W91 R92 K93	E89-W91 VanDerWaalsContact C-N 3.29Å; E89-W91 PolarHBondContact O-N 3.23Å; E89-R92 WeakPolarHBondContact O-CB 3.25Å; E89-R92 PolarHBondContact O-N 3.46Å; E89-R92 IonicContact OE1-CZ 2.7Å; E89-R92 IonicContact OE1-NE 3.86Å; E89-R92 PolarHBondContact OE1-NE 2.9Å; E89-R92 VanDerWaalsContact OE1-NE 3.13Å; E89-R92 IonicContact OE1-NH2 2.77Å; E89-R92 PolarHBondContact OE1-NH2 2.91Å; E89-R92 IonicContact OE2-CZ 3.26Å; E89-R92 IonicContact OE2-NE 3.89Å; E89-R92 PolarHBondContact OE2-NE 2.91Å; E89-R92 VanDerWaalsContact OE2-NE 3.1Å; E89-R92 IonicContact OE2-NH1 3.26Å; E89-R92 PolarHBondContact OE2-NH1 3.19Å; E89-R92 IonicContact OE2-NH2 3.49Å; E89-R92 PolarHBondContact OE2-NH2 2.65Å; E89-K93 PolarHBondContact O-N 3.41Å
90	S	95.9	Very high	89.5	Confident	19 Å²	19	48.9 Å²	48.9	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-40	-177.5	68.9	0	0	0	0	112	G88 E94 H135 I136	G88-S90 PolarHBondContact O-N 3.04Å; S90-E94 WeakPolarHBondContact O-CG 3.4Å; S90-H135 WeakPolarHBondContact CB-CD2 3.48Å; S90-H135 WeakPolarHBondContact CB-NE2 3.33Å; S90-H135 PolarHBondContact OG-CD2 3.2Å; S90-I136 PolarHBondContact OG-N 3.22Å
91	W	97.1	Very high	90.6	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-75.4	-39.7	176.8	-63.9	89.5	0	0	0	111.2	F87 G88 E89 K93 E94 L95 W130 S131 C134 I136 V139 L203 V231 L235	F87-W91 HydrophobicContact CD1-CB 4.15Å; F87-W91 HydrophobicContact CE1-CB 3.45Å; F87-W91 VanDerWaalsContact CE1-CB 3.45Å; F87-W91 HydrophobicContact CZ-CB 4.25Å; G88-W91 PolarHBondContact O-N 3.23Å; E89-W91 VanDerWaalsContact C-N 3.29Å; E89-W91 PolarHBondContact O-N 3.23Å; W91-K93 VanDerWaalsContact C-N 3.28Å; W91-K93 PolarHBondContact O-N 2.99Å; W91-E94 PolarHBondContact O-N 3.32Å; W91-L95 HydrophobicContact CB-CD1 4.35Å; W91-L95 HydrophobicContact CE3-CD1 4.07Å; W91-L95 WeakPolarHBondContact O-CB 3.33Å; W91-L95 WeakPolarHBondContact O-CG 3.1Å; W91-L95 PolarHBondContact O-N 3.19Å; W91-W130 HydrophobicContact CD2-CE3 4.44Å; W91-W130 AromaticContact CD2-CZ3 3.69Å; W91-W130 HydrophobicContact CD2-CZ3 3.69Å; W91-W130 HydrophobicContact CE3-CH2 4.3Å; W91-W130 AromaticContact CE3-CZ3 3.59Å; W91-W130 HydrophobicContact CE3-CZ3 3.59Å; W91-W130 HydrophobicContact CG-CZ3 4.25Å; W91-W130 HydrophobicContact CH2-CZ3 4.22Å; W91-W130 HydrophobicContact CZ2-CE3 4.45Å; W91-W130 HydrophobicContact CZ2-CZ3 4.3Å; W91-W130 AromaticContact CZ3-CZ3 3.89Å; W91-W130 HydrophobicContact CZ3-CZ3 3.89Å; W91-S131 PolarHBondContact NE1-O 3.17Å; W91-C134 PolarHBondContact NE1-O 2.94Å; W91-I136 HydrophobicContact CD2-CB 3.66Å; W91-I136 HydrophobicContact CD2-CD1 3.81Å; W91-I136 HydrophobicContact CD2-CG1 3.67Å; W91-I136 HydrophobicContact CE3-CB 4Å; W91-I136 HydrophobicContact CE3-CD1 3.3Å; W91-I136 HydrophobicContact CE3-CG1 3.44Å; W91-I136 VanDerWaalsContact CE3-CG1 3.44Å; W91-I136 HydrophobicContact CG-CB 4.07Å; W91-I136 HydrophobicContact CG-CD1 4.41Å; W91-I136 HydrophobicContact CG-CG1 4.46Å; W91-I136 HydrophobicContact CH2-CB 4.32Å; W91-I136 HydrophobicContact CH2-CD1 4.44Å; W91-I136 HydrophobicContact CH2-CG1 3.74Å; W91-I136 HydrophobicContact CZ2-CB 4.01Å; W91-I136 HydrophobicContact CZ2-CG1 3.96Å; W91-I136 HydrophobicContact CZ3-CB 4.3Å; W91-I136 HydrophobicContact CZ3-CD1 3.66Å; W91-I136 HydrophobicContact CZ3-CG1 3.46Å; W91-I136 VanDerWaalsContact CZ3-CG1 3.46Å; W91-V139 HydrophobicContact CH2-CG2 3.88Å; W91-V139 HydrophobicContact CZ2-CG2 3.78Å; W91-L203 HydrophobicContact CH2-CD1 4.13Å; W91-L203 HydrophobicContact CH2-CD2 3.86Å; W91-L203 HydrophobicContact CZ2-CD1 4.13Å; W91-V231 HydrophobicContact CE3-CG1 4.39Å; W91-V231 HydrophobicContact CH2-CG1 4.38Å; W91-V231 HydrophobicContact CZ3-CG1 3.66Å; W91-L235 HydrophobicContact CH2-CD1 4.3Å; W91-L235 HydrophobicContact CH2-CD2 4.22Å
92	R	94.6	Very high	91.6	Very high	46 Å²	46	50.3 Å²	50.3	17%	0.174	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-48.1	-179.9	-177.9	-178.3	77.9	167.8	9.5	110.6	T83 F87 G88 E89 E94 L95 A96 F99	T83-R92 HydrophobicContact CG2-CG 3.66Å; T83-R92 WeakPolarHBondContact OG1-CD 3.46Å; T83-R92 WeakPolarHBondContact OG1-CG 3.39Å; F87-R92 HydrophobicContact CD1-CB 3.84Å; F87-R92 HydrophobicContact CE1-CB 4.42Å; G88-R92 WeakPolarHBondContact O-CB 3.3Å; G88-R92 PolarHBondContact O-N 2.82Å; E89-R92 WeakPolarHBondContact O-CB 3.25Å; E89-R92 PolarHBondContact O-N 3.46Å; E89-R92 IonicContact OE1-CZ 2.7Å; E89-R92 IonicContact OE1-NE 3.86Å; E89-R92 PolarHBondContact OE1-NE 2.9Å; E89-R92 VanDerWaalsContact OE1-NE 3.13Å; E89-R92 IonicContact OE1-NH2 2.77Å; E89-R92 PolarHBondContact OE1-NH2 2.91Å; E89-R92 IonicContact OE2-CZ 3.26Å; E89-R92 IonicContact OE2-NE 3.89Å; E89-R92 PolarHBondContact OE2-NE 2.91Å; E89-R92 VanDerWaalsContact OE2-NE 3.1Å; E89-R92 IonicContact OE2-NH1 3.26Å; E89-R92 PolarHBondContact OE2-NH1 3.19Å; E89-R92 IonicContact OE2-NH2 3.49Å; E89-R92 PolarHBondContact OE2-NH2 2.65Å; R92-E94 VanDerWaalsContact C-N 3.31Å; R92-E94 PolarHBondContact O-N 3.02Å; R92-L95 PolarHBondContact O-N 3.23Å; R92-A96 WeakPolarHBondContact O-CA 3.43Å; R92-A96 VanDerWaalsContact O-CB 3.29Å; R92-A96 WeakPolarHBondContact O-CB 3.39Å; R92-A96 PolarHBondContact O-N 3.24Å; R92-F99 HydrophobicContact CG-CE2 4.18Å
93	K	92.7	Very high	92.6	Very high	154 Å²	154	49.2 Å²	49.2	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-57.6	-45.6	-179.4	-177.1	-175.8	172	-164.4	0	111.9	E89 W91	E89-K93 PolarHBondContact O-N 3.41Å; W91-K93 VanDerWaalsContact C-N 3.28Å; W91-K93 PolarHBondContact O-N 2.99Å
94	E	95.3	Very high	93.3	Very high	76 Å²	76	48.1 Å²	48.1	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-80.2	-28.2	-174	-63.5	-53.9	138.7	0	0	113.1	S90 W91 R92 I136 W234	S90-E94 WeakPolarHBondContact O-CG 3.4Å; W91-E94 PolarHBondContact O-N 3.32Å; R92-E94 VanDerWaalsContact C-N 3.31Å; R92-E94 PolarHBondContact O-N 3.02Å; E94-I136 HydrophobicContact CB-CD1 3.89Å; E94-I136 HydrophobicContact CG-CD1 4.08Å; E94-W234 HydrophobicContact CB-CZ2 4.14Å; E94-W234 HydrophobicContact CG-CZ2 3.61Å; E94-W234 PolarHBondContact OE2-NE1 3.45Å
95	L	95.9	Very high	93.8	Very high	5 Å²	5	53 Å²	53	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-102.7	3	-178.7	-61	171.7	0	0	0	113.6	F87 W91 R92 A97 E98 F99 W130 F227 V231	F87-L95 HydrophobicContact CE1-CD1 4.23Å; F87-L95 HydrophobicContact CZ-CD1 3.84Å; W91-L95 HydrophobicContact CB-CD1 4.35Å; W91-L95 HydrophobicContact CE3-CD1 4.07Å; W91-L95 WeakPolarHBondContact O-CB 3.33Å; W91-L95 WeakPolarHBondContact O-CG 3.1Å; W91-L95 PolarHBondContact O-N 3.19Å; R92-L95 PolarHBondContact O-N 3.23Å; L95-A97 PolarHBondContact O-N 3.45Å; L95-E98 WeakPolarHBondContact O-CB 3.35Å; L95-E98 PolarHBondContact O-N 3.25Å; L95-F99 HydrophobicContact CB-CZ 4.37Å; L95-W130 HydrophobicContact CD1-CH2 4.27Å; L95-F227 HydrophobicContact CD1-CZ 4.26Å; L95-V231 HydrophobicContact CD1-CG2 3.82Å; L95-V231 HydrophobicContact CD2-CG2 4.42Å
96	A	92.6	Very high	94.5	Very high	15 Å²	15	54.5 Å²	54.5	12%	0.124	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-27.7	-176.7	0	0	0	0	0	114	R92 E98	R92-A96 WeakPolarHBondContact O-CA 3.43Å; R92-A96 VanDerWaalsContact O-CB 3.29Å; R92-A96 WeakPolarHBondContact O-CB 3.39Å; R92-A96 PolarHBondContact O-N 3.24Å; A96-E98 VanDerWaalsContact C-N 3.33Å
97	A	93.2	Very high	95.1	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-34.3	176.3	0	0	0	0	0	112.4	L95 F99 R100	L95-A97 PolarHBondContact O-N 3.45Å; A97-F99 PolarHBondContact O-N 3.49Å; A97-R100 PolarHBondContact O-N 3.32Å
98	E	96.3	Very high	95.3	Very high	21 Å²	21	54.9 Å²	54.9	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-39.7	179.4	-63.1	-52.2	126.5	0	0	111.6	L95 A96 R100 K101 Y103 F104 F227 A230	L95-E98 WeakPolarHBondContact O-CB 3.35Å; L95-E98 PolarHBondContact O-N 3.25Å; A96-E98 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 3.21Å; E98-R100 VanDerWaalsContact O-N 3.1Å; E98-K101 WeakPolarHBondContact O-CB 3.24Å; E98-K101 PolarHBondContact O-N 3.24Å; E98-K101 WeakPolarHBondContact OE1-CE 3.47Å; E98-K101 IonicContact OE1-NZ 3.67Å; E98-K101 PolarHBondContact OE1-NZ 3.36Å; E98-K101 WeakPolarHBondContact OE2-CD 3.49Å; E98-K101 IonicContact OE2-NZ 2.81Å; E98-K101 PolarHBondContact OE2-NZ 2.78Å; E98-Y103 VanDerWaalsContact OE2-CE1 3.27Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.41Å; E98-Y103 PolarHBondContact OE2-OH 3.46Å; E98-F104 WeakPolarHBondContact O-CB 3.44Å; E98-F227 HydrophobicContact CB-CD2 3.98Å; E98-F227 HydrophobicContact CB-CE2 4.11Å; E98-F227 HydrophobicContact CG-CD2 4.31Å; E98-F227 HydrophobicContact CG-CE2 4.49Å; E98-A230 HydrophobicContact CG-CB 3.73Å
99	F	94	Very high	95.4	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.022	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-24.3	-178.1	-51.3	-30.7	0	0	0	113.6	Q82 T83 F87 R92 L95 A97 F104 F227	Q82-F99 HydrophobicContact CB-CB 4.45Å; T83-F99 HydrophobicContact CG2-CE2 3.93Å; T83-F99 HydrophobicContact CG2-CZ 4.44Å; F87-F99 HydrophobicContact CD1-CZ 4.11Å; F87-F99 HydrophobicContact CD2-CE1 4.49Å; F87-F99 HydrophobicContact CD2-CZ 4.08Å; F87-F99 AromaticContact CE1-CZ 3.84Å; F87-F99 HydrophobicContact CE1-CZ 3.84Å; F87-F99 HydrophobicContact CE2-CE1 4.07Å; F87-F99 AromaticContact CE2-CZ 3.86Å; F87-F99 HydrophobicContact CE2-CZ 3.86Å; F87-F99 HydrophobicContact CG-CZ 4.22Å; F87-F99 HydrophobicContact CZ-CE1 4.21Å; F87-F99 AromaticContact CZ-CZ 3.74Å; F87-F99 HydrophobicContact CZ-CZ 3.74Å; R92-F99 HydrophobicContact CG-CE2 4.18Å; L95-F99 HydrophobicContact CB-CZ 4.37Å; A97-F99 PolarHBondContact O-N 3.49Å; F99-F104 HydrophobicContact CB-CD1 4.3Å; F99-F104 HydrophobicContact CB-CE1 4.39Å; F99-F104 AromaticContact CD1-CD1 3.98Å; F99-F104 HydrophobicContact CD1-CD1 3.98Å; F99-F104 HydrophobicContact CD1-CD2 4.43Å; F99-F104 AromaticContact CD1-CE1 3.51Å; F99-F104 HydrophobicContact CD1-CE1 3.51Å; F99-F104 HydrophobicContact CD1-CE2 4.03Å; F99-F104 HydrophobicContact CD1-CG 4.41Å; F99-F104 AromaticContact CD1-CZ 3.54Å; F99-F104 HydrophobicContact CD1-CZ 3.54Å; F99-F104 HydrophobicContact CE1-CE1 4.23Å; F99-F104 HydrophobicContact CE1-CE2 4.26Å; F99-F104 AromaticContact CE1-CZ 3.83Å; F99-F104 HydrophobicContact CE1-CZ 3.83Å; F99-F104 HydrophobicContact CG-CE1 4.29Å; F99-F227 HydrophobicContact CD1-CE2 4.42Å; F99-F227 AromaticContact CE1-CE2 3.78Å; F99-F227 HydrophobicContact CE1-CE2 3.78Å; F99-F227 HydrophobicContact CE1-CZ 4.12Å
100	R	91.4	Very high	95.6	Very high	109 Å²	109	57.2 Å²	57.2	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-82.7	-21.8	178.8	-68.2	167.8	-161.6	-177.1	8	112.8	A97 E98 K105	A97-R100 PolarHBondContact O-N 3.32Å; E98-R100 PolarHBondContact O-N 3.21Å; E98-R100 VanDerWaalsContact O-N 3.1Å; R100-K105 WeakPolarHBondContact O-CE 3.38Å; R100-K105 PolarHBondContact O-NZ 3.13Å
101	K	95.4	Very high	95.7	Very high	88 Å²	88	56.9 Å²	56.9	38%	0.383	27%	0.273	S	S	.	.	S	Bend	trans	-70.4	147.2	-172.7	-70.8	175.1	179.2	175.8	0	111.1	E98 Y103 F104 K105	E98-K101 WeakPolarHBondContact O-CB 3.24Å; E98-K101 PolarHBondContact O-N 3.24Å; E98-K101 WeakPolarHBondContact OE1-CE 3.47Å; E98-K101 IonicContact OE1-NZ 3.67Å; E98-K101 PolarHBondContact OE1-NZ 3.36Å; E98-K101 WeakPolarHBondContact OE2-CD 3.49Å; E98-K101 IonicContact OE2-NZ 2.81Å; E98-K101 PolarHBondContact OE2-NZ 2.78Å; K101-Y103 VanDerWaalsContact C-N 3.29Å; K101-Y103 HydrophobicContact CB-CD1 3.67Å; K101-Y103 HydrophobicContact CB-CE1 3.74Å; K101-Y103 HydrophobicContact CD-CD1 4.12Å; K101-Y103 HydrophobicContact CD-CE1 3.6Å; K101-Y103 HydrophobicContact CG-CE1 4.33Å; K101-Y103 PolarHBondContact O-N 3.06Å; K101-F104 PolarHBondContact O-N 2.77Å; K101-K105 PolarHBondContact O-N 3.4Å
102	P	97	Very high	95.7	Very high	94 Å²	94	59.6 Å²	59.6	61%	0.61	29%	0.293	S	S	*	.	H	α-helix	trans	-55.2	-40.8	-179.4	-27.9	35.5	0	0	0	113.9	F104 K105 Q106	P102-F104 VanDerWaalsContact C-N 3.32Å; P102-F104 PolarHBondContact O-N 2.69Å; P102-K105 PolarHBondContact O-N 3.1Å; P102-Q106 WeakPolarHBondContact O-CG 3.5Å; P102-Q106 PolarHBondContact O-N 2.99Å
103	Y	97.9	Very high	95.9	Very high	42 Å²	42	60.5 Å²	60.5	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-39.7	-178.6	87.4	-93.7	0	0	0	112.1	E98 K101 Q106 L107 G223 T226 F227	E98-Y103 VanDerWaalsContact OE2-CE1 3.27Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.41Å; E98-Y103 PolarHBondContact OE2-OH 3.46Å; K101-Y103 VanDerWaalsContact C-N 3.29Å; K101-Y103 HydrophobicContact CB-CD1 3.67Å; K101-Y103 HydrophobicContact CB-CE1 3.74Å; K101-Y103 HydrophobicContact CD-CD1 4.12Å; K101-Y103 HydrophobicContact CD-CE1 3.6Å; K101-Y103 HydrophobicContact CG-CE1 4.33Å; K101-Y103 PolarHBondContact O-N 3.06Å; Y103-Q106 PolarHBondContact O-N 3.45Å; Y103-L107 VanDerWaalsContact O-CB 3.28Å; Y103-L107 WeakPolarHBondContact O-CB 3.24Å; Y103-L107 PolarHBondContact O-N 3.41Å; Y103-G223 WeakPolarHBondContact CE2-O 3.38Å; Y103-T226 HydrophobicContact CD1-CG2 4.04Å; Y103-T226 HydrophobicContact CD2-CG2 4.04Å; Y103-T226 HydrophobicContact CE1-CG2 3.75Å; Y103-T226 HydrophobicContact CE2-CG2 3.8Å; Y103-T226 HydrophobicContact CG-CG2 4.18Å; Y103-F227 HydrophobicContact CE2-CB 4.06Å; Y103-F227 WeakPolarHBondContact OH-CA 3.33Å
104	F	96.9	Very high	96.2	Very high	3 Å²	3	54 Å²	54	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-37.9	-177.6	-166.9	-89.6	0	0	0	111.3	P84 E98 F99 K101 P102 L107 M108 F227	P84-F104 HydrophobicContact CG-CE1 3.78Å; P84-F104 HydrophobicContact CG-CZ 3.7Å; E98-F104 WeakPolarHBondContact O-CB 3.44Å; F99-F104 HydrophobicContact CB-CD1 4.3Å; F99-F104 HydrophobicContact CB-CE1 4.39Å; F99-F104 AromaticContact CD1-CD1 3.98Å; F99-F104 HydrophobicContact CD1-CD1 3.98Å; F99-F104 HydrophobicContact CD1-CD2 4.43Å; F99-F104 AromaticContact CD1-CE1 3.51Å; F99-F104 HydrophobicContact CD1-CE1 3.51Å; F99-F104 HydrophobicContact CD1-CE2 4.03Å; F99-F104 HydrophobicContact CD1-CG 4.41Å; F99-F104 AromaticContact CD1-CZ 3.54Å; F99-F104 HydrophobicContact CD1-CZ 3.54Å; F99-F104 HydrophobicContact CE1-CE1 4.23Å; F99-F104 HydrophobicContact CE1-CE2 4.26Å; F99-F104 AromaticContact CE1-CZ 3.83Å; F99-F104 HydrophobicContact CE1-CZ 3.83Å; F99-F104 HydrophobicContact CG-CE1 4.29Å; K101-F104 PolarHBondContact O-N 2.77Å; P102-F104 VanDerWaalsContact C-N 3.32Å; P102-F104 PolarHBondContact O-N 2.69Å; F104-L107 HydrophobicContact CD2-CD2 4.26Å; F104-L107 HydrophobicContact CE2-CD2 4.41Å; F104-L107 WeakPolarHBondContact O-CB 3.26Å; F104-L107 PolarHBondContact O-N 3.39Å; F104-M108 HydrophobicContact CD1-CG 3.88Å; F104-M108 HydrophobicContact CE1-CE 4.18Å; F104-M108 HydrophobicContact CE1-CG 3.54Å; F104-M108 HydrophobicContact CE1-SD 4.02Å; F104-M108 HydrophobicContact CE2-CE 4.23Å; F104-M108 HydrophobicContact CZ-CE 3.87Å; F104-M108 HydrophobicContact CZ-CG 4.19Å; F104-M108 HydrophobicContact CZ-SD 4.11Å; F104-M108 WeakPolarHBondContact O-CG 3.12Å; F104-M108 PolarHBondContact O-N 3.24Å; F104-F227 HydrophobicContact CD2-CB 4.31Å; F104-F227 AromaticContact CD2-CD2 3.69Å; F104-F227 HydrophobicContact CD2-CD2 3.69Å; F104-F227 HydrophobicContact CD2-CE2 4.28Å; F104-F227 HydrophobicContact CD2-CG 4.09Å; F104-F227 HydrophobicContact CE2-CB 4.39Å; F104-F227 HydrophobicContact CE2-CD1 4.29Å; F104-F227 AromaticContact CE2-CD2 3.47Å; F104-F227 HydrophobicContact CE2-CD2 3.47Å; F104-F227 VanDerWaalsContact CE2-CD2 3.47Å; F104-F227 HydrophobicContact CE2-CE1 4.49Å; F104-F227 AromaticContact CE2-CE2 3.73Å; F104-F227 HydrophobicContact CE2-CE2 3.73Å; F104-F227 AromaticContact CE2-CG 3.78Å; F104-F227 HydrophobicContact CE2-CG 3.78Å; F104-F227 HydrophobicContact CE2-CZ 4.23Å; F104-F227 HydrophobicContact CZ-CE2 4.5Å
105	K	95.4	Very high	96.3	Very high	117 Å²	117	54 Å²	54	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-45.5	173.6	-66.4	178.4	-179.9	174.2	0	111.5	R100 K101 P102 L107 M108 Q109	R100-K105 WeakPolarHBondContact O-CE 3.38Å; R100-K105 PolarHBondContact O-NZ 3.13Å; K101-K105 PolarHBondContact O-N 3.4Å; P102-K105 PolarHBondContact O-N 3.1Å; K105-L107 VanDerWaalsContact C-N 3.33Å; K105-L107 PolarHBondContact O-N 2.9Å; K105-M108 PolarHBondContact O-N 3.29Å; K105-Q109 WeakPolarHBondContact O-CB 3.47Å; K105-Q109 PolarHBondContact O-N 3.39Å
106	Q	97.4	Very high	96.4	Very high	129 Å²	129	60.6 Å²	60.6	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-61.8	-41.8	175.4	-71.3	173.1	7.3	0	0	111.6	P102 Y103 Q109 F110	P102-Q106 WeakPolarHBondContact O-CG 3.5Å; P102-Q106 PolarHBondContact O-N 2.99Å; Y103-Q106 PolarHBondContact O-N 3.45Å; Q106-Q109 PolarHBondContact O-N 2.87Å; Q106-F110 WeakPolarHBondContact O-CB 3.22Å; Q106-F110 PolarHBondContact O-N 3.45Å
107	L	97.9	Very high	96.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-49.1	175.3	172.9	68.2	0	0	0	111.8	Y103 F104 K105 Q109 F110 V111 R222 W224	Y103-L107 VanDerWaalsContact O-CB 3.28Å; Y103-L107 WeakPolarHBondContact O-CB 3.24Å; Y103-L107 PolarHBondContact O-N 3.41Å; F104-L107 HydrophobicContact CD2-CD2 4.26Å; F104-L107 HydrophobicContact CE2-CD2 4.41Å; F104-L107 WeakPolarHBondContact O-CB 3.26Å; F104-L107 PolarHBondContact O-N 3.39Å; K105-L107 VanDerWaalsContact C-N 3.33Å; K105-L107 PolarHBondContact O-N 2.9Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 3.41Å; L107-F110 WeakPolarHBondContact O-CB 3.19Å; L107-F110 PolarHBondContact O-N 2.91Å; L107-V111 HydrophobicContact CD1-CG2 4.33Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 2.92Å; L107-R222 HydrophobicContact CD1-CB 4.15Å; L107-R222 VanDerWaalsContact CD1-O 3.27Å; L107-R222 WeakPolarHBondContact CD1-O 3.43Å; L107-W224 HydrophobicContact CD1-CD2 4.02Å; L107-W224 HydrophobicContact CD1-CG 3.92Å; L107-W224 HydrophobicContact CD2-CD2 3.68Å; L107-W224 HydrophobicContact CD2-CE3 3.64Å; L107-W224 HydrophobicContact CD2-CG 4.17Å; L107-W224 HydrophobicContact CD2-CH2 4.29Å; L107-W224 HydrophobicContact CD2-CZ2 4.34Å; L107-W224 HydrophobicContact CD2-CZ3 3.92Å; L107-W224 HydrophobicContact CG-CD2 4.3Å; L107-W224 HydrophobicContact CG-CZ2 4.48Å
108	M	96.3	Very high	96.9	Very high	52 Å²	52	69.1 Å²	69.1	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-38.9	179	-70.2	-55.8	99.4	0	0	111.8	P84 F104 K105 V111 S112 W224	P84-M108 HydrophobicContact CG-SD 4.2Å; F104-M108 HydrophobicContact CD1-CG 3.88Å; F104-M108 HydrophobicContact CE1-CE 4.18Å; F104-M108 HydrophobicContact CE1-CG 3.54Å; F104-M108 HydrophobicContact CE1-SD 4.02Å; F104-M108 HydrophobicContact CE2-CE 4.23Å; F104-M108 HydrophobicContact CZ-CE 3.87Å; F104-M108 HydrophobicContact CZ-CG 4.19Å; F104-M108 HydrophobicContact CZ-SD 4.11Å; F104-M108 WeakPolarHBondContact O-CG 3.12Å; F104-M108 PolarHBondContact O-N 3.24Å; K105-M108 PolarHBondContact O-N 3.29Å; M108-V111 PolarHBondContact O-N 2.88Å; M108-S112 WeakPolarHBondContact O-CB 3.19Å; M108-S112 PolarHBondContact O-N 2.88Å; M108-W224 HydrophobicContact CE-CH2 3.38Å; M108-W224 HydrophobicContact CE-CZ2 3.75Å; M108-W224 HydrophobicContact CE-CZ3 4.02Å
109	Q	96.8	Very high	97	Very high	128 Å²	128	72.1 Å²	72.1	60%	0.598	34%	0.335	S	S	*	.	H	α-helix	trans	-62.4	-46.4	173.3	-174.7	178.1	3.8	0	0	111.3	K105 Q106 L107 V111 S112 E113	K105-Q109 WeakPolarHBondContact O-CB 3.47Å; K105-Q109 PolarHBondContact O-N 3.39Å; Q106-Q109 PolarHBondContact O-N 2.87Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 3.41Å; Q109-V111 PolarHBondContact O-N 2.86Å; Q109-S112 WeakPolarHBondContact O-CB 3.45Å; Q109-S112 PolarHBondContact O-N 2.97Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 2.92Å
110	F	98.4	Very high	97.2	Very high	40 Å²	40	72.2 Å²	72.2	18%	0.175	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-49.2	176.1	164.1	-97.5	0	0	0	111.8	Q106 L107 S112 E113 E114 H219 R222	Q106-F110 WeakPolarHBondContact O-CB 3.22Å; Q106-F110 PolarHBondContact O-N 3.45Å; L107-F110 WeakPolarHBondContact O-CB 3.19Å; L107-F110 PolarHBondContact O-N 2.91Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 3.18Å; F110-E113 PolarHBondContact O-N 3.35Å; F110-E114 HydrophobicContact CD2-CG 4.29Å; F110-E114 HydrophobicContact CE1-CG 4.06Å; F110-E114 HydrophobicContact CE2-CG 3.69Å; F110-E114 HydrophobicContact CZ-CG 3.55Å; F110-E114 PolarHBondContact O-N 2.85Å; F110-H219 HydrophobicContact CE1-CB 4.06Å; F110-H219 AromaticContact CE1-CD2 3.77Å; F110-H219 AromaticContact CE1-CG 3.68Å; F110-H219 AromaticContact CE1-ND1 3.92Å; F110-H219 AromaticContact CZ-CD2 3.65Å; F110-R222 HydrophobicContact CD1-CB 3.86Å; F110-R222 HydrophobicContact CD1-CG 3.96Å; F110-R222 HydrophobicContact CE1-CB 3.85Å; F110-R222 HydrophobicContact CE1-CG 3.54Å; F110-R222 HydrophobicContact CE2-CG 4.15Å; F110-R222 HydrophobicContact CG-CB 4.48Å; F110-R222 HydrophobicContact CG-CG 4.45Å; F110-R222 HydrophobicContact CZ-CB 4.44Å; F110-R222 HydrophobicContact CZ-CG 3.64Å
111	V	97.8	Very high	97.5	Very high	11 Å²	11	68.5 Å²	68.5	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-38.9	179.1	173.8	0	0	0	0	111.3	L107 M108 Q109 E114 R115 T210 W224	L107-V111 HydrophobicContact CD1-CG2 4.33Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 2.92Å; M108-V111 PolarHBondContact O-N 2.88Å; Q109-V111 PolarHBondContact O-N 2.86Å; V111-E114 PolarHBondContact O-N 2.96Å; V111-R115 WeakPolarHBondContact O-CG 3.21Å; V111-R115 PolarHBondContact O-N 3.25Å; V111-T210 HydrophobicContact CG1-CG2 4.21Å; V111-W224 HydrophobicContact CG2-CZ2 4.11Å
112	S	96.9	Very high	97.7	Very high	58 Å²	58	64.4 Å²	64.4	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-46.3	175.7	-175.8	0	0	0	0	111.8	M108 Q109 F110 R115 K116	M108-S112 WeakPolarHBondContact O-CB 3.19Å; M108-S112 PolarHBondContact O-N 2.88Å; Q109-S112 WeakPolarHBondContact O-CB 3.45Å; Q109-S112 PolarHBondContact O-N 2.97Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 3.18Å; S112-R115 PolarHBondContact O-N 2.88Å; S112-K116 WeakPolarHBondContact O-CG 3.2Å; S112-K116 PolarHBondContact O-N 3.43Å
113	E	98.2	Very high	97.6	Very high	66 Å²	66	62.1 Å²	62.1	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-38.6	176	-68.9	-55	133.3	0	0	112.6	Q109 F110 R115 K116 R117	Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 2.92Å; F110-E113 PolarHBondContact O-N 3.35Å; E113-R115 VanDerWaalsContact C-N 3.34Å; E113-R115 PolarHBondContact O-N 3.49Å; E113-K116 PolarHBondContact O-N 3.08Å; E113-K116 IonicContact OE1-NZ 3.49Å; E113-K116 PolarHBondContact OE1-NZ 3.18Å; E113-K116 IonicContact OE2-NZ 3.92Å; E113-R117 PolarHBondContact O-N 3.2Å
114	E	98.4	Very high	97.5	Very high	17 Å²	17	62.1 Å²	62.1	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-42.2	173.7	-83.5	-70.1	107.8	0	0	111.6	F110 V111 K116 R117 H118 V120 R212 H219	F110-E114 HydrophobicContact CD2-CG 4.29Å; F110-E114 HydrophobicContact CE1-CG 4.06Å; F110-E114 HydrophobicContact CE2-CG 3.69Å; F110-E114 HydrophobicContact CZ-CG 3.55Å; F110-E114 PolarHBondContact O-N 2.85Å; V111-E114 PolarHBondContact O-N 2.96Å; E114-K116 VanDerWaalsContact C-N 3.27Å; E114-K116 PolarHBondContact O-N 2.89Å; E114-R117 PolarHBondContact O-N 3.05Å; E114-R117 VanDerWaalsContact O-N 3.14Å; E114-H118 WeakPolarHBondContact O-CA 3.35Å; E114-H118 PolarHBondContact O-N 3.3Å; E114-H118 IonicContact OE1-CE1 3.63Å; E114-H118 PolarHBondContact OE1-CE1 2.56Å; E114-H118 IonicContact OE1-ND1 2.63Å; E114-H118 PolarHBondContact OE1-ND1 2.9Å; E114-H118 IonicContact OE2-ND1 3.46Å; E114-H118 PolarHBondContact OE2-ND1 3.17Å; E114-V120 HydrophobicContact CB-CG2 3.8Å; E114-R212 IonicContact OE1-CZ 3.63Å; E114-R212 IonicContact OE1-NH2 2.62Å; E114-R212 PolarHBondContact OE1-NH2 3.04Å; E114-R212 IonicContact OE2-CZ 3.74Å; E114-R212 VanDerWaalsContact OE2-CZ 3.22Å; E114-R212 IonicContact OE2-NE 3.04Å; E114-R212 PolarHBondContact OE2-NE 3.14Å; E114-R212 IonicContact OE2-NH2 2.85Å; E114-R212 PolarHBondContact OE2-NH2 3.04Å; E114-H219 IonicContact OE2-NE2 3.21Å; E114-H219 PolarHBondContact OE2-NE2 3.39Å
115	R	97.9	Very high	97.4	Very high	76 Å²	76	67.2 Å²	67.2	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-66.3	-25.6	177.6	-75.4	-179.6	-172.5	-70.2	0	113.7	V111 S112 E113 R117 V120 P122	V111-R115 WeakPolarHBondContact O-CG 3.21Å; V111-R115 PolarHBondContact O-N 3.25Å; S112-R115 PolarHBondContact O-N 2.88Å; E113-R115 VanDerWaalsContact C-N 3.34Å; E113-R115 PolarHBondContact O-N 3.49Å; R115-R117 VanDerWaalsContact C-N 3.32Å; R115-V120 HydrophobicContact CG-CB 3.81Å; R115-V120 HydrophobicContact CG-CG1 4.42Å; R115-V120 HydrophobicContact CG-CG2 3.91Å; R115-V120 PolarHBondContact NH1-O 3.49Å; R115-P122 PolarHBondContact NH1-O 3.49Å; R115-P122 PolarHBondContact NH2-O 3.16Å
116	K	98.1	Very high	97.4	Very high	143 Å²	143	63.4 Å²	63.4	62%	0.622	31%	0.306	S	S	*	.	H	α-helix	trans	-72.3	-27.1	173.7	-68.8	173	-172.5	174.1	0	112.7	S112 E113 E114	S112-K116 WeakPolarHBondContact O-CG 3.2Å; S112-K116 PolarHBondContact O-N 3.43Å; E113-K116 PolarHBondContact O-N 3.08Å; E113-K116 IonicContact OE1-NZ 3.49Å; E113-K116 PolarHBondContact OE1-NZ 3.18Å; E113-K116 IonicContact OE2-NZ 3.92Å; E114-K116 VanDerWaalsContact C-N 3.27Å; E114-K116 PolarHBondContact O-N 2.89Å
117	R	98.1	Very high	97.5	Very high	182 Å²	182	57.6 Å²	57.6	69%	0.687	28%	0.28	S	S	*	.	H	α-helix	trans	-108.6	-27.5	-171.1	-62.4	178.6	-174.6	-163.9	0.4	113.4	E113 E114 R115	E113-R117 PolarHBondContact O-N 3.2Å; E114-R117 PolarHBondContact O-N 3.05Å; E114-R117 VanDerWaalsContact O-N 3.14Å; R115-R117 VanDerWaalsContact C-N 3.32Å
118	H	98.3	Very high	97.5	Very high	71 Å²	71	57.8 Å²	57.8	33%	0.329	28%	0.281	S	S	.	.	S	Bend	trans	-141.3	159.4	-171.3	-47.9	113.6	0	0	0	110.8	E114 V120 R212	E114-H118 WeakPolarHBondContact O-CA 3.35Å; E114-H118 PolarHBondContact O-N 3.3Å; E114-H118 IonicContact OE1-CE1 3.63Å; E114-H118 PolarHBondContact OE1-CE1 2.56Å; E114-H118 IonicContact OE1-ND1 2.63Å; E114-H118 PolarHBondContact OE1-ND1 2.9Å; E114-H118 IonicContact OE2-ND1 3.46Å; E114-H118 PolarHBondContact OE2-ND1 3.17Å; H118-V120 PolarHBondContact O-N 3.25Å; H118-R212 HydrophobicContact CB-CG 3.89Å; H118-R212 PolarHBondContact CE1-NH2 3.46Å; H118-R212 PolarHBondContact ND1-NE 2.93Å
119	T	98.3	Very high	97.5	Very high	83 Å²	83	56 Å²	56	51%	0.509	27%	0.273	S	S	.	.			trans	-72.7	126	163.9	-60.9	0	0	0	0	109.3	Y121 A213	T119-Y121 HydrophobicContact CG2-CD1 4.34Å; T119-Y121 HydrophobicContact CG2-CE1 3.63Å; T119-Y121 HydrophobicContact CG2-CE2 4.27Å; T119-A213 HydrophobicContact CG2-CB 4.1Å; T119-A213 PolarHBondContact O-N 2.7Å
120	V	98.5	Very high	97.6	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129	178.4	175.8	0	0	0	0	109.3	E114 R115 H118 T210 V211	E114-V120 HydrophobicContact CB-CG2 3.8Å; R115-V120 HydrophobicContact CG-CB 3.81Å; R115-V120 HydrophobicContact CG-CG1 4.42Å; R115-V120 HydrophobicContact CG-CG2 3.91Å; R115-V120 PolarHBondContact NH1-O 3.49Å; H118-V120 PolarHBondContact O-N 3.25Å; V120-T210 HydrophobicContact CG1-CG2 4.26Å; V120-V211 CarbonylContact C-O 3.42Å; V120-V211 VanDerWaalsContact CA-O 3.32Å; V120-V211 WeakPolarHBondContact CA-O 3.4Å
121	Y	98.4	Very high	97.6	Very high	32 Å²	32	48.3 Å²	48.3	13%	0.125	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	150.8	175.6	-59.1	-54.6	0	0	0	111.9	T119 H150 P152 T210 V211 A213	T119-Y121 HydrophobicContact CG2-CD1 4.34Å; T119-Y121 HydrophobicContact CG2-CE1 3.63Å; T119-Y121 HydrophobicContact CG2-CE2 4.27Å; Y121-H150 WeakPolarHBondContact CE2-O 3.34Å; Y121-P152 VanDerWaalsContact OH-CA 3.32Å; Y121-P152 WeakPolarHBondContact OH-CA 3.46Å; Y121-T210 CarbonylContact O-C 3.42Å; Y121-T210 WeakPolarHBondContact O-CA 3.36Å; Y121-V211 PolarHBondContact N-O 3.4Å; Y121-V211 PolarHBondContact O-N 2.91Å; Y121-A213 HydrophobicContact CD2-CB 4.18Å; Y121-A213 HydrophobicContact CE2-CB 3.48Å; Y121-A213 VanDerWaalsContact CE2-CB 3.48Å
122	P	97.9	Very high	97.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.258	C	S	.	.	S	Bend	cis	-67.9	174.4	-13.4	34.4	-37.5	0	0	0	111.2	R115 Q126 V127 A155 L209	R115-P122 PolarHBondContact NH1-O 3.49Å; R115-P122 PolarHBondContact NH2-O 3.16Å; P122-Q126 HydrophobicContact CB-CB 4.01Å; P122-Q126 HydrophobicContact CG-CB 4.46Å; P122-V127 HydrophobicContact CG-CB 4.45Å; P122-V127 HydrophobicContact CG-CG2 3.99Å; P122-A155 HydrophobicContact CB-CB 4.18Å; P122-A155 WeakPolarHBondContact CB-O 3.41Å; P122-L209 VanDerWaalsContact CD-O 3.25Å; P122-L209 WeakPolarHBondContact CD-O 3.48Å
123	P	96.3	Very high	97.4	Very high	47 Å²	47	51.9 Å²	51.9	31%	0.305	25%	0.249	S	C	.	.			trans	-48.8	152.2	163.8	-27.1	36.4	0	0	0	112	E125 Q126 V127	P123-E125 VanDerWaalsContact C-N 3.3Å; P123-E125 WeakPolarHBondContact CB-OE1 3.28Å; P123-E125 WeakPolarHBondContact CB-OE2 3.33Å; P123-E125 PolarHBondContact O-N 2.78Å; P123-Q126 PolarHBondContact O-N 3.03Å; P123-V127 PolarHBondContact O-N 2.91Å
124	A	95.2	Very high	97.2	Very high	41 Å²	41	48.9 Å²	48.9	34%	0.339	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-59.5	-40.9	-168.5	0	0	0	0	0	112.8	Q126 V127	A124-Q126 PolarHBondContact O-N 3.05Å; A124-V127 WeakPolarHBondContact O-CG2 3.44Å; A124-V127 PolarHBondContact O-N 2.59Å
125	E	94.4	Very high	97.1	Very high	110 Å²	110	52.3 Å²	52.3	51%	0.514	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-68	-15.6	177.2	69.7	-75.8	-176.7	0	0	113.7	P123	P123-E125 VanDerWaalsContact C-N 3.3Å; P123-E125 WeakPolarHBondContact CB-OE1 3.28Å; P123-E125 WeakPolarHBondContact CB-OE2 3.33Å; P123-E125 PolarHBondContact O-N 2.78Å
126	Q	96.8	Very high	97.1	Very high	37 Å²	37	48.9 Å²	48.9	17%	0.173	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-104.4	-1.3	179.8	-68.7	179	5.8	0	0	113.1	P122 P123 A124 F128 T129 H156 G157 K163	P122-Q126 HydrophobicContact CB-CB 4.01Å; P122-Q126 HydrophobicContact CG-CB 4.46Å; P123-Q126 PolarHBondContact O-N 3.03Å; A124-Q126 PolarHBondContact O-N 3.05Å; Q126-F128 PolarHBondContact O-N 3.3Å; Q126-T129 WeakPolarHBondContact CA-OG1 3.47Å; Q126-T129 PolarHBondContact O-N 3.25Å; Q126-T129 PolarHBondContact O-OG1 2.97Å; Q126-H156 VanDerWaalsContact OE1-CB 3.31Å; Q126-G157 WeakPolarHBondContact O-CA 3.29Å; Q126-G157 PolarHBondContact O-N 2.87Å; Q126-K163 VanDerWaalsContact NE2-NZ 3.13Å
127	V	97.8	Very high	97	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.4	-179.3	175.7	0	0	0	0	111.7	P122 P123 A124 W130 L209 T210 W224	P122-V127 HydrophobicContact CG-CB 4.45Å; P122-V127 HydrophobicContact CG-CG2 3.99Å; P123-V127 PolarHBondContact O-N 2.91Å; A124-V127 WeakPolarHBondContact O-CG2 3.44Å; A124-V127 PolarHBondContact O-N 2.59Å; V127-W130 PolarHBondContact O-NE1 3.33Å; V127-L209 HydrophobicContact CG1-CB 3.97Å; V127-T210 HydrophobicContact CG1-CG2 4.25Å; V127-T210 HydrophobicContact CG2-CG2 3.91Å; V127-W224 HydrophobicContact CG1-CH2 3.76Å; V127-W224 HydrophobicContact CG1-CZ2 4.09Å
128	F	97.8	Very high	97	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	19	-172.8	-57	-72.2	0	0	0	113.9	P84 G86 F87 Q126 W130 S131 L209 W224 F227	P84-F128 HydrophobicContact CB-CD2 4.02Å; P84-F128 HydrophobicContact CB-CE2 3.28Å; P84-F128 HydrophobicContact CB-CZ 3.87Å; P84-F128 HydrophobicContact CG-CE2 3.81Å; P84-F128 HydrophobicContact CG-CZ 3.84Å; G86-F128 WeakPolarHBondContact O-CB 3.44Å; F87-F128 HydrophobicContact CD2-CB 3.89Å; F87-F128 AromaticContact CD2-CD1 3.41Å; F87-F128 HydrophobicContact CD2-CD1 3.41Å; F87-F128 VanDerWaalsContact CD2-CD1 3.41Å; F87-F128 AromaticContact CD2-CD2 3.91Å; F87-F128 HydrophobicContact CD2-CD2 3.91Å; F87-F128 AromaticContact CD2-CE1 3.8Å; F87-F128 HydrophobicContact CD2-CE1 3.8Å; F87-F128 HydrophobicContact CD2-CE2 4.28Å; F87-F128 AromaticContact CD2-CG 3.44Å; F87-F128 HydrophobicContact CD2-CG 3.44Å; F87-F128 VanDerWaalsContact CD2-CG 3.44Å; F87-F128 HydrophobicContact CD2-CZ 4.2Å; F87-F128 HydrophobicContact CE2-CB 4.41Å; F87-F128 AromaticContact CE2-CD1 3.31Å; F87-F128 HydrophobicContact CE2-CD1 3.31Å; F87-F128 AromaticContact CE2-CE1 3.57Å; F87-F128 HydrophobicContact CE2-CE1 3.57Å; F87-F128 AromaticContact CE2-CG 3.88Å; F87-F128 HydrophobicContact CE2-CG 3.88Å; F87-F128 HydrophobicContact CE2-CZ 4.33Å; F87-F128 HydrophobicContact CG-CB 4.5Å; F87-F128 HydrophobicContact CG-CG 4.43Å; Q126-F128 PolarHBondContact O-N 3.3Å; F128-W130 AromaticContact CD1-CZ2 3.94Å; F128-W130 HydrophobicContact CD1-CZ2 3.94Å; F128-W130 AromaticContact CD1-NE1 3.95Å; F128-W130 PolarHBondContact O-N 3.29Å; F128-W130 VanDerWaalsContact O-N 3.08Å; F128-S131 WeakPolarHBondContact O-CA 3.39Å; F128-S131 WeakPolarHBondContact O-CB 3.38Å; F128-S131 PolarHBondContact O-N 2.87Å; F128-S131 PolarHBondContact O-OG 3.1Å; F128-L209 HydrophobicContact CD1-CD1 4.31Å; F128-L209 HydrophobicContact CE1-CD1 4.07Å; F128-W224 HydrophobicContact CE1-CH2 4.07Å; F128-W224 AromaticContact CE1-CZ3 3.93Å; F128-W224 HydrophobicContact CE1-CZ3 3.93Å; F128-W224 AromaticContact CZ-CH2 3.72Å; F128-W224 HydrophobicContact CZ-CH2 3.72Å; F128-W224 AromaticContact CZ-CZ3 4Å; F128-W224 HydrophobicContact CZ-CZ3 4Å; F128-F227 AromaticContact CE1-CE1 3.99Å; F128-F227 HydrophobicContact CE1-CE1 3.99Å; F128-F227 HydrophobicContact CE1-CZ 4.41Å
129	T	98.3	Very high	97	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-54	-32.3	179	-62.7	0	0	0	0	113.2	Q126 S131 E132 V133 H156 L158	Q126-T129 WeakPolarHBondContact CA-OG1 3.47Å; Q126-T129 PolarHBondContact O-N 3.25Å; Q126-T129 PolarHBondContact O-OG1 2.97Å; T129-S131 PolarHBondContact O-N 3.27Å; T129-E132 WeakPolarHBondContact CA-OE2 3.26Å; T129-E132 PolarHBondContact O-N 2.95Å; T129-E132 VanDerWaalsContact O-N 3.1Å; T129-V133 HydrophobicContact CG2-CG2 3.89Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 2.96Å; T129-V133 VanDerWaalsContact O-N 3.13Å; T129-H156 WeakPolarHBondContact CB-O 3.49Å; T129-H156 PolarHBondContact OG1-O 2.76Å; T129-L158 HydrophobicContact CG2-CD2 4.3Å; T129-L158 HydrophobicContact CG2-CG 4.23Å
130	W	98.3	Very high	97	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-55.7	-31.4	172.2	60.4	-94.6	0	0	0	113.8	F87 W91 L95 V127 F128 L158 L203 L205 L209 F227 V231	F87-W130 HydrophobicContact CE2-CH2 4.4Å; F87-W130 HydrophobicContact CE2-CZ2 4.21Å; F87-W130 AromaticContact CZ-CH2 3.96Å; F87-W130 HydrophobicContact CZ-CH2 3.96Å; F87-W130 HydrophobicContact CZ-CZ2 4.24Å; W91-W130 HydrophobicContact CD2-CE3 4.44Å; W91-W130 AromaticContact CD2-CZ3 3.69Å; W91-W130 HydrophobicContact CD2-CZ3 3.69Å; W91-W130 HydrophobicContact CE3-CH2 4.3Å; W91-W130 AromaticContact CE3-CZ3 3.59Å; W91-W130 HydrophobicContact CE3-CZ3 3.59Å; W91-W130 HydrophobicContact CG-CZ3 4.25Å; W91-W130 HydrophobicContact CH2-CZ3 4.22Å; W91-W130 HydrophobicContact CZ2-CE3 4.45Å; W91-W130 HydrophobicContact CZ2-CZ3 4.3Å; W91-W130 AromaticContact CZ3-CZ3 3.89Å; W91-W130 HydrophobicContact CZ3-CZ3 3.89Å; L95-W130 HydrophobicContact CD1-CH2 4.27Å; V127-W130 PolarHBondContact O-NE1 3.33Å; F128-W130 AromaticContact CD1-CZ2 3.94Å; F128-W130 HydrophobicContact CD1-CZ2 3.94Å; F128-W130 AromaticContact CD1-NE1 3.95Å; F128-W130 PolarHBondContact O-N 3.29Å; F128-W130 VanDerWaalsContact O-N 3.08Å; W130-L158 HydrophobicContact CB-CD2 3.9Å; W130-L203 HydrophobicContact CB-CD1 4.15Å; W130-L203 HydrophobicContact CD2-CD1 4.4Å; W130-L203 HydrophobicContact CE3-CD1 3.71Å; W130-L205 HydrophobicContact CD2-CD1 3.83Å; W130-L205 HydrophobicContact CE3-CD1 4.3Å; W130-L205 HydrophobicContact CG-CD1 4.09Å; W130-L205 HydrophobicContact CZ2-CD1 4.26Å; W130-L209 HydrophobicContact CZ2-CD1 4.34Å; W130-F227 HydrophobicContact CH2-CE1 4.46Å; W130-F227 HydrophobicContact CZ2-CE1 4.01Å; W130-F227 HydrophobicContact CZ2-CZ 4.48Å; W130-V231 HydrophobicContact CH2-CG1 4.46Å; W130-V231 HydrophobicContact CH2-CG2 3.93Å; W130-V231 HydrophobicContact CZ3-CG1 4.28Å
131	S	97.8	Very high	97	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-83.5	-23.3	179.1	75.7	0	0	0	0	113.2	G88 W91 F128 T129	G88-S131 PolarHBondContact N-OG 2.79Å; W91-S131 PolarHBondContact NE1-O 3.17Å; F128-S131 WeakPolarHBondContact O-CA 3.39Å; F128-S131 WeakPolarHBondContact O-CB 3.38Å; F128-S131 PolarHBondContact O-N 2.87Å; F128-S131 PolarHBondContact O-OG 3.1Å; T129-S131 PolarHBondContact O-N 3.27Å
132	E	96	Very high	97	Very high	106 Å²	106	34 Å²	34	50%	0.495	18%	0.182	S	C	.	.	H	α-helix	trans	-83.3	-36.3	-179.6	-61.2	179.5	110.4	0	0	111.6	G86 T129	G86-E132 VanDerWaalsContact O-CD 3.26Å; G86-E132 VanDerWaalsContact O-CG 3.26Å; G86-E132 WeakPolarHBondContact O-CG 3.43Å; T129-E132 WeakPolarHBondContact CA-OE2 3.26Å; T129-E132 PolarHBondContact O-N 2.95Å; T129-E132 VanDerWaalsContact O-N 3.1Å
133	V	95.8	Very high	97.1	Very high	38 Å²	38	34 Å²	34	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-85.6	-33.4	-171.6	-179	0	0	0	0	112.8	T129 T195 A198 R199	T129-V133 HydrophobicContact CG2-CG2 3.89Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 2.96Å; T129-V133 VanDerWaalsContact O-N 3.13Å; V133-T195 HydrophobicContact CG1-CG2 4.01Å; V133-T195 HydrophobicContact CG2-CG2 4.48Å; V133-A198 HydrophobicContact CB-CB 4.15Å; V133-A198 HydrophobicContact CG1-CB 3.5Å; V133-A198 VanDerWaalsContact CG1-CB 3.5Å; V133-R199 HydrophobicContact CG1-CB 4.49Å; V133-R199 HydrophobicContact CG1-CG 3.62Å
134	C	92.9	Very high	97	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.02	17%	0.168	C	C	.	.	S	Bend	trans	-116	118.5	-178	-177.6	0	0	0	0	108.9	W91 A198	W91-C134 PolarHBondContact NE1-O 2.94Å; C134-A198 WeakPolarHBondContact CB-O 3.38Å
135	H	95.8	Very high	96.9	Very high	89 Å²	89	30.1 Å²	30.1	41%	0.412	15%	0.153	S	C	.	.			trans	-66.9	144.9	173.4	-169.3	-90.2	0	0	0	110.3	S90 T137 D138	S90-H135 WeakPolarHBondContact CB-CD2 3.48Å; S90-H135 WeakPolarHBondContact CB-NE2 3.33Å; S90-H135 PolarHBondContact OG-CD2 3.2Å; H135-T137 VanDerWaalsContact C-N 3.28Å; H135-T137 PolarHBondContact CE1-OG1 3.19Å; H135-T137 VanDerWaalsContact CE1-OG1 3.24Å; H135-T137 PolarHBondContact ND1-N 2.84Å; H135-T137 PolarHBondContact ND1-OG1 3.13Å; H135-T137 PolarHBondContact O-N 3.47Å; H135-D138 HydrophobicContact CB-CB 4.23Å; H135-D138 WeakPolarHBondContact CB-OD2 3.43Å; H135-D138 PolarHBondContact O-N 2.8Å
136	I	97.6	Very high	96.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-62.2	-33.2	-170.1	-165.9	171.6	0	0	0	113.6	S90 W91 E94 D138 V139 W234 L235	S90-I136 PolarHBondContact OG-N 3.22Å; W91-I136 HydrophobicContact CD2-CB 3.66Å; W91-I136 HydrophobicContact CD2-CD1 3.81Å; W91-I136 HydrophobicContact CD2-CG1 3.67Å; W91-I136 HydrophobicContact CE3-CB 4Å; W91-I136 HydrophobicContact CE3-CD1 3.3Å; W91-I136 HydrophobicContact CE3-CG1 3.44Å; W91-I136 VanDerWaalsContact CE3-CG1 3.44Å; W91-I136 HydrophobicContact CG-CB 4.07Å; W91-I136 HydrophobicContact CG-CD1 4.41Å; W91-I136 HydrophobicContact CG-CG1 4.46Å; W91-I136 HydrophobicContact CH2-CB 4.32Å; W91-I136 HydrophobicContact CH2-CD1 4.44Å; W91-I136 HydrophobicContact CH2-CG1 3.74Å; W91-I136 HydrophobicContact CZ2-CB 4.01Å; W91-I136 HydrophobicContact CZ2-CG1 3.96Å; W91-I136 HydrophobicContact CZ3-CB 4.3Å; W91-I136 HydrophobicContact CZ3-CD1 3.66Å; W91-I136 HydrophobicContact CZ3-CG1 3.46Å; W91-I136 VanDerWaalsContact CZ3-CG1 3.46Å; E94-I136 HydrophobicContact CB-CD1 3.89Å; E94-I136 HydrophobicContact CG-CD1 4.08Å; I136-D138 VanDerWaalsContact C-N 3.34Å; I136-V139 WeakPolarHBondContact O-CG2 3.35Å; I136-W234 HydrophobicContact CD1-CD2 3.7Å; I136-W234 HydrophobicContact CD1-CE3 3.43Å; I136-W234 VanDerWaalsContact CD1-CE3 3.43Å; I136-W234 HydrophobicContact CD1-CH2 3.67Å; I136-W234 HydrophobicContact CD1-CZ2 3.89Å; I136-W234 HydrophobicContact CD1-CZ3 3.46Å; I136-W234 VanDerWaalsContact CD1-CZ3 3.46Å; I136-W234 HydrophobicContact CG1-CD2 4.48Å; I136-W234 HydrophobicContact CG1-CE3 3.74Å; I136-W234 HydrophobicContact CG1-CH2 3.72Å; I136-W234 HydrophobicContact CG1-CZ2 4.43Å; I136-W234 HydrophobicContact CG1-CZ3 3.34Å; I136-W234 HydrophobicContact CG2-CH2 4.12Å; I136-L235 HydrophobicContact CG1-CD2 4.49Å
137	T	96.9	Very high	96.4	Very high	71 Å²	71	27.9 Å²	27.9	44%	0.436	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-81.3	-13.8	177.9	55.1	0	0	0	0	113.7	H135 V139	H135-T137 VanDerWaalsContact C-N 3.28Å; H135-T137 PolarHBondContact CE1-OG1 3.19Å; H135-T137 VanDerWaalsContact CE1-OG1 3.24Å; H135-T137 PolarHBondContact ND1-N 2.84Å; H135-T137 PolarHBondContact ND1-OG1 3.13Å; H135-T137 PolarHBondContact O-N 3.47Å; T137-V139 VanDerWaalsContact C-N 3.33Å
138	D	97.5	Very high	96.3	Very high	92 Å²	92	28 Å²	28	49%	0.492	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-96.6	1.4	-173.9	-58.8	-4.5	0	0	0	110.9	H135 I136 K140 G201	H135-D138 HydrophobicContact CB-CB 4.23Å; H135-D138 WeakPolarHBondContact CB-OD2 3.43Å; H135-D138 PolarHBondContact O-N 2.8Å; I136-D138 VanDerWaalsContact C-N 3.34Å; D138-K140 PolarHBondContact O-N 3.1Å; D138-G201 VanDerWaalsContact O-CA 3.25Å; D138-G201 WeakPolarHBondContact O-CA 3.49Å
139	V	98.6	Very high	96.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.152	C	C	.	.			trans	-64.5	118.7	178.3	178.7	0	0	0	0	110.2	W91 I136 T137 V142 L203 L235 V242	W91-V139 HydrophobicContact CH2-CG2 3.88Å; W91-V139 HydrophobicContact CZ2-CG2 3.78Å; I136-V139 WeakPolarHBondContact O-CG2 3.35Å; T137-V139 VanDerWaalsContact C-N 3.33Å; V139-V142 HydrophobicContact CG1-CG2 3.79Å; V139-L203 HydrophobicContact CG1-CB 4.06Å; V139-L203 HydrophobicContact CG2-CB 4.41Å; V139-L235 HydrophobicContact CB-CD2 4.03Å; V139-L235 HydrophobicContact CG1-CD1 4.35Å; V139-L235 HydrophobicContact CG1-CD2 4.14Å; V139-L235 HydrophobicContact CG2-CD2 4.07Å; V139-V242 HydrophobicContact CG1-CG1 4.3Å
140	K	98.8	Very high	96.2	Very high	42 Å²	42	32.6 Å²	32.6	18%	0.183	16%	0.164	C	C	.	.			trans	-107.9	-41.5	176.5	-63.4	178	-163.2	169.3	0	111.4	D138 Q200 G201 V242 V243 L293 S299 I301	D138-K140 PolarHBondContact O-N 3.1Å; K140-Q200 PolarHBondContact NZ-O 3.03Å; K140-G201 PolarHBondContact N-O 2.69Å; K140-V242 WeakPolarHBondContact O-CA 3.2Å; K140-V243 PolarHBondContact O-N 3.45Å; K140-L293 HydrophobicContact CB-CD1 4.22Å; K140-L293 HydrophobicContact CB-CD2 3.81Å; K140-S299 PolarHBondContact NZ-OG 3.5Å; K140-I301 HydrophobicContact CB-CD1 4.31Å; K140-I301 HydrophobicContact CD-CD1 3.96Å
141	V	98.9	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.7	-177.3	-175.9	0	0	0	0	109.2	I143 G201 V202 L203 V243 M245 L293 I301 W303	V141-I143 HydrophobicContact CG1-CG1 4.3Å; V141-G201 PolarHBondContact N-O 3.49Å; V141-G201 VanDerWaalsContact N-O 3.1Å; V141-V202 HydrophobicContact CB-CG1 4.28Å; V141-V202 HydrophobicContact CB-CG2 4.22Å; V141-V202 HydrophobicContact CG1-CG1 4.35Å; V141-V202 CarbonylContact O-C 3.47Å; V141-V202 WeakPolarHBondContact O-CA 3.25Å; V141-L203 PolarHBondContact O-N 3.33Å; V141-V243 CarbonylContact C-O 3.59Å; V141-V243 VanDerWaalsContact CA-O 3.26Å; V141-V243 WeakPolarHBondContact CA-O 3.26Å; V141-V243 WeakPolarHBondContact CG1-O 3.35Å; V141-V243 HydrophobicContact CG2-CB 4.4Å; V141-M245 HydrophobicContact CG1-CE 4.01Å; V141-M245 HydrophobicContact CG1-CG 4.24Å; V141-M245 HydrophobicContact CG1-SD 4.22Å; V141-L293 HydrophobicContact CG2-CD1 3.9Å; V141-I301 HydrophobicContact CG2-CD1 4.42Å; V141-I301 HydrophobicContact CG2-CG1 3.9Å; V141-W303 HydrophobicContact CG1-CH2 4.36Å; V141-W303 HydrophobicContact CG2-CH2 4.49Å
142	V	98.8	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.7	172.2	-179.1	0	0	0	0	108.7	V139 L144 L203 L235 V242 V243 F244 M245	V139-V142 HydrophobicContact CG1-CG2 3.79Å; V142-L144 HydrophobicContact CG1-CD2 3.67Å; V142-L144 HydrophobicContact CG1-CG 4.06Å; V142-L203 HydrophobicContact CG1-CD2 4.18Å; V142-L203 HydrophobicContact CG2-CB 4.2Å; V142-L203 HydrophobicContact CG2-CD2 4.14Å; V142-L235 HydrophobicContact CG2-CD1 3.99Å; V142-V242 HydrophobicContact CG2-CG1 3.8Å; V142-V243 PolarHBondContact N-O 3.31Å; V142-F244 HydrophobicContact CB-CD1 3.6Å; V142-F244 HydrophobicContact CB-CE1 3.9Å; V142-F244 HydrophobicContact CB-CG 4.31Å; V142-F244 HydrophobicContact CG1-CD1 3.94Å; V142-F244 HydrophobicContact CG1-CE1 4.15Å; V142-F244 HydrophobicContact CG2-CD1 3.93Å; V142-F244 HydrophobicContact CG2-CE1 3.71Å; V142-F244 HydrophobicContact CG2-CZ 4.29Å; V142-M245 PolarHBondContact O-N 3.33Å
143	I	98.6	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.8	171.5	-58.7	177.7	0	0	0	107.5	V141 C159 F160 V202 L203 L204 L205 M245 W247	V141-I143 HydrophobicContact CG1-CG1 4.3Å; I143-C159 PolarHBondContact O-SG 3.35Å; I143-C159 VanDerWaalsContact O-SG 3.34Å; I143-F160 HydrophobicContact CG2-CD2 4.09Å; I143-F160 HydrophobicContact CG2-CE2 3.88Å; I143-V202 HydrophobicContact CD1-CG1 3.78Å; I143-V202 HydrophobicContact CG1-CG1 4.07Å; I143-L203 PolarHBondContact N-O 3.48Å; I143-L204 HydrophobicContact CB-CD2 4.1Å; I143-L204 HydrophobicContact CD1-CD2 3.95Å; I143-L204 HydrophobicContact CG1-CD2 4.44Å; I143-L205 PolarHBondContact O-N 3.31Å; I143-L205 VanDerWaalsContact O-N 3.11Å; I143-M245 HydrophobicContact CD1-SD 4.11Å; I143-M245 HydrophobicContact CG1-CB 4.15Å; I143-M245 HydrophobicContact CG1-CG 4.45Å; I143-M245 HydrophobicContact CG1-SD 3.94Å; I143-W247 HydrophobicContact CD1-CH2 3.94Å; I143-W247 HydrophobicContact CD1-CZ3 4.36Å; I143-W247 HydrophobicContact CG1-CH2 4.44Å; I143-W247 HydrophobicContact CG2-CE3 3.81Å; I143-W247 HydrophobicContact CG2-CH2 4.01Å; I143-W247 HydrophobicContact CG2-CZ3 3.48Å; I143-W247 VanDerWaalsContact CG2-CZ3 3.48Å
144	L	95.6	Very high	95.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.8	-179.2	-63.8	-176.1	0	0	0	111.6	V142 L205 I232 M245 L246 A251 K254	V142-L144 HydrophobicContact CG1-CD2 3.67Å; V142-L144 HydrophobicContact CG1-CG 4.06Å; L144-L205 CarbonylContact C-O 3.55Å; L144-L205 VanDerWaalsContact CA-O 3.31Å; L144-L205 WeakPolarHBondContact CA-O 3.48Å; L144-L205 HydrophobicContact CD2-CB 4.11Å; L144-L205 HydrophobicContact CD2-CD2 4.23Å; L144-L205 HydrophobicContact CD2-CG 4.47Å; L144-I232 HydrophobicContact CD1-CD1 3.57Å; L144-I232 HydrophobicContact CD2-CD1 3.87Å; L144-I232 HydrophobicContact CD2-CG1 4.35Å; L144-I232 HydrophobicContact CG-CD1 4.4Å; L144-M245 PolarHBondContact N-O 3.01Å; L144-L246 HydrophobicContact CD1-CD2 3.66Å; L144-L246 HydrophobicContact CG-CD2 4.17Å; L144-A251 HydrophobicContact CB-CB 3.99Å; L144-K254 HydrophobicContact CD1-CD 4.25Å; L144-K254 HydrophobicContact CD1-CG 4.16Å
145	G	92.4	Very high	95.9	Very high	4 Å²	4	34.7 Å²	34.7	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	173.7	165.8	0	0	0	0	0	112.3	L205 N206 A207	G145-L205 PolarHBondContact N-O 3.49Å; G145-N206 VanDerWaalsContact CA-OD1 3.26Å; G145-N206 WeakPolarHBondContact CA-OD1 3.45Å; G145-A207 PolarHBondContact O-N 2.92Å
146	Q	89.4	Confident	96.1	Very high	68 Å²	68	30.6 Å²	30.6	32%	0.318	18%	0.176	S	C	.	.	S	Bend	trans	-90.2	-72.3	-179.5	-179.6	172.9	-31.9	0	0	110.8	A207 V208 N217 Y250	Q146-A207 WeakPolarHBondContact O-CB 3.47Å; Q146-A207 PolarHBondContact O-N 2.67Å; Q146-V208 PolarHBondContact O-N 3.38Å; Q146-N217 PolarHBondContact NE2-ND2 3.4Å; Q146-N217 PolarHBondContact NE2-OD1 3.42Å; Q146-Y250 HydrophobicContact CG-CD1 4.41Å; Q146-Y250 HydrophobicContact CG-CD2 4.16Å; Q146-Y250 HydrophobicContact CG-CE2 4.47Å; Q146-Y250 HydrophobicContact CG-CG 4.11Å
147	D	90.4	Very high	96.1	Very high	33 Å²	33	31 Å²	31	18%	0.176	18%	0.181	C	C	.	.	S	Bend	trans	-132.8	162.4	177.7	65.3	-39.2	0	0	0	111	V208 N217	D147-V208 HydrophobicContact CB-CB 4.2Å; D147-N217 PolarHBondContact OD2-N 3.4Å
148	P	96.8	Very high	96.1	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.052	16%	0.162	C	C	.	.			trans	-67	157.9	177.7	-14.2	30.9	0	0	0	110.9	H150 A155 V208 V211	P148-H150 PolarHBondContact O-N 3.29Å; P148-A155 HydrophobicContact CB-CB 3.63Å; P148-V208 VanDerWaalsContact CD-O 3.24Å; P148-V208 WeakPolarHBondContact CD-O 3.34Å; P148-V211 HydrophobicContact CB-CG1 4.07Å; P148-V211 HydrophobicContact CG-CG1 4.38Å
149	Y	96.6	Very high	96.2	Very high	46 Å²	46	23.5 Å²	23.5	18%	0.18	14%	0.138	C	C	.	.			trans	-57.5	135.9	167.9	-68.5	-58.6	0	0	0	111.3	Q154 A155 F160 V162 P169	Y149-Q154 VanDerWaalsContact CB-CB 3.44Å; Y149-Q154 HydrophobicContact CD2-CB 4.24Å; Y149-Q154 HydrophobicContact CG-CB 4.1Å; Y149-A155 WeakPolarHBondContact O-CB 3.44Å; Y149-F160 WeakPolarHBondContact CE2-O 3.39Å; Y149-F160 PolarHBondContact OH-O 2.87Å; Y149-V162 HydrophobicContact CD2-CG1 3.78Å; Y149-V162 HydrophobicContact CE2-CG1 3.88Å; Y149-P169 HydrophobicContact CD1-CB 4.4Å; Y149-P169 HydrophobicContact CD1-CG 4.32Å; Y149-P169 HydrophobicContact CD2-CG 4.14Å; Y149-P169 HydrophobicContact CE1-CB 3.66Å; Y149-P169 HydrophobicContact CE1-CG 3.85Å; Y149-P169 HydrophobicContact CE2-CB 4.27Å; Y149-P169 HydrophobicContact CE2-CG 3.64Å; Y149-P169 HydrophobicContact CG-CG 4.46Å; Y149-P169 VanDerWaalsContact CZ-CG 3.49Å
150	H	96	Very high	96.1	Very high	72 Å²	72	24.1 Å²	24.1	33%	0.333	14%	0.141	S	C	.	.			trans	-99.3	5.1	-174	60.6	69.4	0	0	0	113.7	Y121 P148 V211 H214	Y121-H150 WeakPolarHBondContact CE2-O 3.34Å; P148-H150 PolarHBondContact O-N 3.29Å; H150-V211 HydrophobicContact CB-CG1 3.99Å; H150-V211 HydrophobicContact CB-CG2 3.97Å; H150-H214 PolarHBondContact O-N 2.98Å
151	G	94.6	Very high	96.1	Very high	9 Å²	9	22.1 Å²	22.1	9%	0.093	13%	0.132	C	C	.	.	S	Bend	trans	-92.9	156.3	175.4	0	0	0	0	0	113	G153 Q154	G151-G153 PolarHBondContact O-N 3.48Å; G151-Q154 PolarHBondContact O-N 2.88Å
152	P	95.1	Very high	96.1	Very high	83 Å²	83	22.1 Å²	22.1	54%	0.539	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133.3	179.5	-22.7	32.6	0	0	0	113.3	Y121 Q154	Y121-P152 VanDerWaalsContact OH-CA 3.32Å; Y121-P152 WeakPolarHBondContact OH-CA 3.46Å; P152-Q154 PolarHBondContact O-N 3.19Å; P152-Q154 VanDerWaalsContact O-N 3.12Å
153	G	92.5	Very high	96	Very high	51 Å²	51	26.1 Å²	26.1	53%	0.526	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	-1.7	175.6	0	0	0	0	0	116	G151	G151-G153 PolarHBondContact O-N 3.48Å
154	Q	96.3	Very high	95.9	Very high	47 Å²	47	32.4 Å²	32.4	22%	0.22	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-62.6	-174.6	-61.9	-173.9	-58.6	0	0	112.4	Y149 G151 P152 V162 V166	Y149-Q154 VanDerWaalsContact CB-CB 3.44Å; Y149-Q154 HydrophobicContact CD2-CB 4.24Å; Y149-Q154 HydrophobicContact CG-CB 4.1Å; G151-Q154 PolarHBondContact O-N 2.88Å; P152-Q154 PolarHBondContact O-N 3.19Å; P152-Q154 VanDerWaalsContact O-N 3.12Å; Q154-V162 HydrophobicContact CB-CG1 4.03Å; Q154-V166 HydrophobicContact CG-CG1 4.1Å
155	A	97.8	Very high	96	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	21%	0.213	C	C	.	.			trans	-73.9	132.6	-174.9	0	0	0	0	0	111.9	P122 P148 Y149	P122-A155 HydrophobicContact CB-CB 4.18Å; P122-A155 WeakPolarHBondContact CB-O 3.41Å; P148-A155 HydrophobicContact CB-CB 3.63Å; Y149-A155 WeakPolarHBondContact O-CB 3.44Å
156	H	98.1	Very high	96.2	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.014	22%	0.22	C	C	.	.	S	Bend	trans	-139.5	26.9	177.7	76.4	115.6	0	0	0	113.6	Q126 T129 S161 K163 D193	Q126-H156 VanDerWaalsContact OE1-CB 3.31Å; T129-H156 WeakPolarHBondContact CB-O 3.49Å; T129-H156 PolarHBondContact OG1-O 2.76Å; H156-S161 PolarHBondContact CD2-O 3.41Å; H156-S161 VanDerWaalsContact NE2-CB 3.28Å; H156-S161 WeakPolarHBondContact NE2-CB 3.47Å; H156-S161 PolarHBondContact NE2-OG 3.02Å; H156-K163 HydrophobicContact CB-CD 4.11Å; H156-K163 HydrophobicContact CB-CG 4.08Å; H156-K163 VanDerWaalsContact ND1-CE 3.28Å; H156-K163 WeakPolarHBondContact ND1-CE 3.47Å; H156-D193 IonicContact CE1-OD1 3.22Å
157	G	97.7	Very high	96.6	Very high	12 Å²	12	41.2 Å²	41.2	12%	0.124	24%	0.235	C	C	.	.	S	Bend	trans	91.8	-3	173.5	0	0	0	0	0	116.7	Q126	Q126-G157 WeakPolarHBondContact O-CA 3.29Å; Q126-G157 PolarHBondContact O-N 2.87Å
158	L	98.6	Very high	96.9	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-115	128.6	174.1	-57.9	-179.3	0	0	0	109.3	T129 W130 S161 A198 L204	T129-L158 HydrophobicContact CG2-CD2 4.3Å; T129-L158 HydrophobicContact CG2-CG 4.23Å; W130-L158 HydrophobicContact CB-CD2 3.9Å; L158-S161 PolarHBondContact O-N 3.2Å; L158-A198 HydrophobicContact CD1-CB 4.31Å; L158-A198 HydrophobicContact CD2-CB 4.49Å; L158-L204 HydrophobicContact CB-CB 4.05Å; L158-L204 HydrophobicContact CB-CD1 4.03Å; L158-L204 HydrophobicContact CD1-CD1 4.3Å; L158-L204 HydrophobicContact CD2-CB 4.28Å
159	C	97.7	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	145.2	179	73.7	0	0	0	0	111.4	I143 S161 L204 N206	I143-C159 PolarHBondContact O-SG 3.35Å; I143-C159 VanDerWaalsContact O-SG 3.34Å; C159-S161 PolarHBondContact O-N 3.22Å; C159-L204 PolarHBondContact N-O 2.86Å; C159-L204 VanDerWaalsContact N-O 3.11Å; C159-L204 WeakPolarHBondContact SG-CA 3.44Å; C159-N206 WeakPolarHBondContact CB-OD1 3.49Å
160	F	98.1	Very high	96.9	Very high	14 Å²	14	42.3 Å²	42.3	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-14.6	-174.9	-56.9	-76.2	0	0	0	117.3	I143 Y149 L172 M175 L194 W247 H270 P271	I143-F160 HydrophobicContact CG2-CD2 4.09Å; I143-F160 HydrophobicContact CG2-CE2 3.88Å; Y149-F160 WeakPolarHBondContact CE2-O 3.39Å; Y149-F160 PolarHBondContact OH-O 2.87Å; F160-L172 WeakPolarHBondContact O-CD2 3.35Å; F160-M175 HydrophobicContact CB-CE 4.24Å; F160-M175 HydrophobicContact CB-SD 3.74Å; F160-M175 HydrophobicContact CD1-SD 3.78Å; F160-M175 HydrophobicContact CD2-SD 4.14Å; F160-M175 HydrophobicContact CE1-SD 4.44Å; F160-M175 HydrophobicContact CG-CE 4.4Å; F160-M175 HydrophobicContact CG-SD 3.61Å; F160-L194 HydrophobicContact CB-CD1 4.16Å; F160-W247 HydrophobicContact CD2-CZ3 4.44Å; F160-W247 AromaticContact CE2-CE3 3.97Å; F160-W247 HydrophobicContact CE2-CE3 3.97Å; F160-W247 HydrophobicContact CE2-CZ3 4.15Å; F160-W247 HydrophobicContact CZ-CE3 4.13Å; F160-H270 AromaticContact CE1-CE1 3.89Å; F160-H270 AromaticContact CE1-NE2 3.45Å; F160-H270 WeakPolarHBondContact CE1-NE2 3.41Å; F160-H270 AromaticContact CZ-NE2 3.6Å; F160-P271 HydrophobicContact CD1-CG 4.41Å; F160-P271 HydrophobicContact CE1-CG 3.7Å; F160-P271 HydrophobicContact CZ-CG 4.12Å
161	S	98.5	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.239	C	C	.	.			trans	-86.3	147	-173.3	-169.6	0	0	0	0	112.7	H156 L158 C159 G192 L194	H156-S161 PolarHBondContact CD2-O 3.41Å; H156-S161 VanDerWaalsContact NE2-CB 3.28Å; H156-S161 WeakPolarHBondContact NE2-CB 3.47Å; H156-S161 PolarHBondContact NE2-OG 3.02Å; L158-S161 PolarHBondContact O-N 3.2Å; C159-S161 PolarHBondContact O-N 3.22Å; S161-G192 WeakPolarHBondContact CA-O 3.4Å; S161-G192 PolarHBondContact OG-O 3.04Å; S161-L194 PolarHBondContact OG-N 3.27Å
162	V	98.2	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.235	C	C	.	.			trans	-135.2	143.5	170.8	-61.5	0	0	0	0	110.8	Y149 Q154 V166 P169 G192 D193	Y149-V162 HydrophobicContact CD2-CG1 3.78Å; Y149-V162 HydrophobicContact CE2-CG1 3.88Å; Q154-V162 HydrophobicContact CB-CG1 4.03Å; V162-V166 HydrophobicContact CB-CB 4.14Å; V162-V166 HydrophobicContact CB-CG1 4.02Å; V162-V166 HydrophobicContact CG1-CG1 4.33Å; V162-V166 HydrophobicContact CG2-CB 4.19Å; V162-V166 HydrophobicContact CG2-CG1 4.13Å; V162-P169 HydrophobicContact CG1-CG 3.67Å; V162-G192 PolarHBondContact N-O 3.12Å; V162-G192 CarbonylContact O-C 3.52Å; V162-D193 WeakPolarHBondContact O-CA 3.44Å; V162-D193 PolarHBondContact O-N 2.97Å
163	K	96.8	Very high	97.3	Very high	84 Å²	84	38.1 Å²	38.1	37%	0.365	22%	0.222	S	C	.	.			trans	-75.6	150.4	178.1	-74	-175.6	174.6	175.9	0	111.6	Q126 H156 V166	Q126-K163 VanDerWaalsContact NE2-NZ 3.13Å; H156-K163 HydrophobicContact CB-CD 4.11Å; H156-K163 HydrophobicContact CB-CG 4.08Å; H156-K163 VanDerWaalsContact ND1-CE 3.28Å; H156-K163 WeakPolarHBondContact ND1-CE 3.47Å; K163-V166 WeakPolarHBondContact O-CB 3.33Å; K163-V166 WeakPolarHBondContact O-CG2 3.35Å; K163-V166 PolarHBondContact O-N 3Å
164	R	96.9	Very high	97.6	Very high	133 Å²	133	36.2 Å²	36.2	50%	0.502	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	142.4	167.4	-64.8	174.9	-174.1	86.2	-13.4	109.6	H191 D193 L306	R164-H191 HydrophobicContact CG-CB 3.66Å; R164-H191 VanDerWaalsContact CZ-CD2 3.46Å; R164-H191 VanDerWaalsContact CZ-CG 3.42Å; R164-H191 PolarHBondContact NE-CD2 2.92Å; R164-H191 PolarHBondContact NH2-CD2 3.39Å; R164-H191 PolarHBondContact NH2-CE1 3.27Å; R164-H191 PolarHBondContact NH2-ND1 2.88Å; R164-H191 PolarHBondContact NH2-NE2 2.89Å; R164-D193 IonicContact NH1-OD2 3.58Å; R164-L306 PolarHBondContact NH2-OXT 3.45Å
165	P	96.8	Very high	97.7	Very high	129 Å²	129	34 Å²	34	84%	0.838	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	cis	-93	17	3.2	38.4	-36.5	0	0	0	114
166	V	97.4	Very high	97.8	Very high	33 Å²	33	33.9 Å²	33.9	20%	0.2	19%	0.188	C	C	.	.	S	Bend	trans	-64	129.9	-175.8	-177.9	0	0	0	0	110.1	Q154 V162 K163	Q154-V166 HydrophobicContact CG-CG1 4.1Å; V162-V166 HydrophobicContact CB-CB 4.14Å; V162-V166 HydrophobicContact CB-CG1 4.02Å; V162-V166 HydrophobicContact CG1-CG1 4.33Å; V162-V166 HydrophobicContact CG2-CB 4.19Å; V162-V166 HydrophobicContact CG2-CG1 4.13Å; K163-V166 WeakPolarHBondContact O-CB 3.33Å; K163-V166 WeakPolarHBondContact O-CG2 3.35Å; K163-V166 PolarHBondContact O-N 3Å
167	P	97.3	Very high	97.8	Very high	97 Å²	97	39.3 Å²	39.3	63%	0.63	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-66.3	146.1	178.8	26.9	-34.4	0	0	0	111	P169	P167-P169 WeakPolarHBondContact O-CD 3.29Å
168	P	98	Very high	97.9	Very high	18 Å²	18	38.9 Å²	38.9	12%	0.117	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-53.5	129.1	174.5	-24.1	33.5	0	0	0	111.6	L172 E173 Y176	P168-L172 HydrophobicContact CB-CB 4.28Å; P168-L172 HydrophobicContact CB-CD2 3.94Å; P168-L172 HydrophobicContact CB-CG 4.11Å; P168-E173 HydrophobicContact CB-CG 4.05Å; P168-E173 WeakPolarHBondContact CB-OE1 3.42Å; P168-Y176 HydrophobicContact CB-CE2 4.23Å; P168-Y176 HydrophobicContact CG-CE2 4.09Å
169	P	96.4	Very high	97.9	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.058	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-68.9	162.5	174.8	-24.9	38.4	0	0	0	111.7	Y149 V162 P167 S171 L172 E173	Y149-P169 HydrophobicContact CD1-CB 4.4Å; Y149-P169 HydrophobicContact CD1-CG 4.32Å; Y149-P169 HydrophobicContact CD2-CG 4.14Å; Y149-P169 HydrophobicContact CE1-CB 3.66Å; Y149-P169 HydrophobicContact CE1-CG 3.85Å; Y149-P169 HydrophobicContact CE2-CB 4.27Å; Y149-P169 HydrophobicContact CE2-CG 3.64Å; Y149-P169 HydrophobicContact CG-CG 4.46Å; Y149-P169 VanDerWaalsContact CZ-CG 3.49Å; V162-P169 HydrophobicContact CG1-CG 3.67Å; P167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-S171 VanDerWaalsContact C-N 3.26Å; P169-S171 PolarHBondContact O-N 3.46Å; P169-L172 WeakPolarHBondContact O-CA 3.27Å; P169-L172 WeakPolarHBondContact O-CB 3.3Å; P169-L172 PolarHBondContact O-N 3.01Å; P169-E173 PolarHBondContact O-N 3.19Å
170	P	97.3	Very high	97.9	Very high	82 Å²	82	41.4 Å²	41.4	53%	0.532	23%	0.228	S	C	.	.	H	α-helix	trans	-55.6	-33.6	-172.7	-28.8	35.3	0	0	0	115.6	N174 P273	P170-N174 PolarHBondContact O-N 2.82Å; P170-N174 VanDerWaalsContact O-N 3.14Å; P170-N174 PolarHBondContact O-ND2 3.46Å; P170-P273 HydrophobicContact CB-CG 3.56Å
171	S	96.8	Very high	97.9	Very high	17 Å²	17	45.6 Å²	45.6	12%	0.119	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-40.4	174.9	-58.4	0	0	0	0	112.1	P169 N174 M175	P169-S171 VanDerWaalsContact C-N 3.26Å; P169-S171 PolarHBondContact O-N 3.46Å; S171-N174 PolarHBondContact O-N 2.77Å; S171-M175 WeakPolarHBondContact O-CG 3.49Å; S171-M175 PolarHBondContact O-N 3.49Å
172	L	98.2	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.9	-38.6	178.3	-179	57	0	0	0	111.2	F160 P168 P169 N174 M175 Y176 G192 L194	F160-L172 WeakPolarHBondContact O-CD2 3.35Å; P168-L172 HydrophobicContact CB-CB 4.28Å; P168-L172 HydrophobicContact CB-CD2 3.94Å; P168-L172 HydrophobicContact CB-CG 4.11Å; P169-L172 WeakPolarHBondContact O-CA 3.27Å; P169-L172 WeakPolarHBondContact O-CB 3.3Å; P169-L172 PolarHBondContact O-N 3.01Å; L172-N174 VanDerWaalsContact C-N 3.25Å; L172-N174 PolarHBondContact O-N 3.42Å; L172-M175 HydrophobicContact CD1-CB 4.27Å; L172-M175 HydrophobicContact CD1-CE 4.03Å; L172-M175 HydrophobicContact CD1-SD 3.98Å; L172-M175 WeakPolarHBondContact O-CA 3.41Å; L172-M175 WeakPolarHBondContact O-CB 3.3Å; L172-M175 PolarHBondContact O-N 3.47Å; L172-Y176 HydrophobicContact CD1-CD1 4.42Å; L172-Y176 HydrophobicContact CD1-CE1 3.95Å; L172-Y176 HydrophobicContact CD1-CE2 4.2Å; L172-Y176 HydrophobicContact CD2-CE2 4.1Å; L172-Y176 HydrophobicContact CG-CD2 4.25Å; L172-Y176 HydrophobicContact CG-CE1 4.44Å; L172-Y176 HydrophobicContact CG-CE2 3.78Å; L172-Y176 PolarHBondContact O-N 2.97Å; L172-G192 WeakPolarHBondContact CD2-O 3.43Å; L172-L194 HydrophobicContact CD1-CD1 4.02Å; L172-L194 HydrophobicContact CD1-CD2 4.08Å; L172-L194 HydrophobicContact CD1-CG 4.37Å
173	E	98.6	Very high	97.9	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-55.7	-41.9	171.4	-72.7	-67	173.2	0	0	112	P168 P169 Y176 K177 H188	P168-E173 HydrophobicContact CB-CG 4.05Å; P168-E173 WeakPolarHBondContact CB-OE1 3.42Å; P169-E173 PolarHBondContact O-N 3.19Å; E173-Y176 PolarHBondContact O-N 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 3.04Å; E173-H188 IonicContact OE1-NE2 3.21Å; E173-H188 IonicContact OE2-CD2 3.13Å; E173-H188 IonicContact OE2-NE2 3.1Å; E173-H188 PolarHBondContact OE2-NE2 2.83Å
174	N	98.6	Very high	98	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-69.7	-33.4	175.9	-70.4	-18.4	0	0	0	112.6	P170 S171 L172 Y176 K177 E178 P271 A276 F281	P170-N174 PolarHBondContact O-N 2.82Å; P170-N174 VanDerWaalsContact O-N 3.14Å; P170-N174 PolarHBondContact O-ND2 3.46Å; S171-N174 PolarHBondContact O-N 2.77Å; L172-N174 VanDerWaalsContact C-N 3.25Å; L172-N174 PolarHBondContact O-N 3.42Å; N174-Y176 VanDerWaalsContact C-N 3.35Å; N174-K177 PolarHBondContact O-N 2.93Å; N174-E178 PolarHBondContact O-N 3.4Å; N174-P271 HydrophobicContact CB-CB 4.42Å; N174-P271 VanDerWaalsContact CB-O 3.25Å; N174-P271 WeakPolarHBondContact CB-O 3.34Å; N174-P271 PolarHBondContact ND2-O 3.44Å; N174-A276 HydrophobicContact CB-CB 4.46Å; N174-F281 HydrophobicContact CB-CE1 3.99Å; N174-F281 HydrophobicContact CB-CZ 3.81Å; N174-F281 WeakPolarHBondContact O-CE1 3.27Å
175	M	98.7	Very high	98	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-43.7	170.4	-67.6	166.7	56.2	0	0	111.3	F160 S171 L172 E178 L179 L194 W197 W247 P271 F280 F286	F160-M175 HydrophobicContact CB-CE 4.24Å; F160-M175 HydrophobicContact CB-SD 3.74Å; F160-M175 HydrophobicContact CD1-SD 3.78Å; F160-M175 HydrophobicContact CD2-SD 4.14Å; F160-M175 HydrophobicContact CE1-SD 4.44Å; F160-M175 HydrophobicContact CG-CE 4.4Å; F160-M175 HydrophobicContact CG-SD 3.61Å; S171-M175 WeakPolarHBondContact O-CG 3.49Å; S171-M175 PolarHBondContact O-N 3.49Å; L172-M175 HydrophobicContact CD1-CB 4.27Å; L172-M175 HydrophobicContact CD1-CE 4.03Å; L172-M175 HydrophobicContact CD1-SD 3.98Å; L172-M175 WeakPolarHBondContact O-CA 3.41Å; L172-M175 WeakPolarHBondContact O-CB 3.3Å; L172-M175 PolarHBondContact O-N 3.47Å; M175-E178 PolarHBondContact O-N 2.91Å; M175-L179 WeakPolarHBondContact O-CB 3.38Å; M175-L179 WeakPolarHBondContact O-CG 3.42Å; M175-L179 PolarHBondContact O-N 2.98Å; M175-L194 HydrophobicContact CE-CD1 4.29Å; M175-W197 HydrophobicContact CE-CH2 4.26Å; M175-W197 HydrophobicContact CE-CZ3 3.82Å; M175-W247 HydrophobicContact CE-CH2 4.08Å; M175-W247 HydrophobicContact CE-CZ3 3.82Å; M175-W247 HydrophobicContact CG-CZ3 4.28Å; M175-W247 HydrophobicContact SD-CZ3 3.96Å; M175-P271 HydrophobicContact CG-CB 3.97Å; M175-P271 HydrophobicContact CG-CG 4.12Å; M175-P271 HydrophobicContact SD-CG 4.41Å; M175-F280 HydrophobicContact CB-CZ 4.34Å; M175-F280 HydrophobicContact CG-CE1 4.37Å; M175-F280 HydrophobicContact CG-CZ 3.77Å; M175-F286 HydrophobicContact CB-CZ 4.49Å
176	Y	98.8	Very high	98.1	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-36.4	176.9	-66.2	-31.3	0	0	0	113.2	P168 L172 E173 N174 L179 A180 F186 H188 P189 H191 L194 W197 L306	P168-Y176 HydrophobicContact CB-CE2 4.23Å; P168-Y176 HydrophobicContact CG-CE2 4.09Å; L172-Y176 HydrophobicContact CD1-CD1 4.42Å; L172-Y176 HydrophobicContact CD1-CE1 3.95Å; L172-Y176 HydrophobicContact CD1-CE2 4.2Å; L172-Y176 HydrophobicContact CD2-CE2 4.1Å; L172-Y176 HydrophobicContact CG-CD2 4.25Å; L172-Y176 HydrophobicContact CG-CE1 4.44Å; L172-Y176 HydrophobicContact CG-CE2 3.78Å; L172-Y176 PolarHBondContact O-N 2.97Å; E173-Y176 PolarHBondContact O-N 3.32Å; N174-Y176 VanDerWaalsContact C-N 3.35Å; Y176-L179 HydrophobicContact CD1-CD1 3.97Å; Y176-L179 PolarHBondContact O-N 3.31Å; Y176-A180 WeakPolarHBondContact O-CB 3.2Å; Y176-A180 PolarHBondContact O-N 3.07Å; Y176-F186 HydrophobicContact CD1-CE1 4.12Å; Y176-F186 AromaticContact CD1-CZ 3.61Å; Y176-F186 HydrophobicContact CD1-CZ 3.61Å; Y176-F186 HydrophobicContact CE1-CZ 4.14Å; Y176-F186 HydrophobicContact CG-CE1 4.47Å; Y176-F186 HydrophobicContact CG-CZ 4.35Å; Y176-H188 AromaticContact CD2-CD2 3.35Å; Y176-H188 WeakPolarHBondContact CD2-CD2 3.49Å; Y176-H188 AromaticContact CD2-NE2 3.3Å; Y176-H188 VanDerWaalsContact CD2-NE2 3.3Å; Y176-H188 WeakPolarHBondContact CD2-NE2 3.3Å; Y176-H188 AromaticContact CE2-NE2 3.68Å; Y176-H188 AromaticContact CG-CD2 3.96Å; Y176-P189 HydrophobicContact CE1-CG 4.17Å; Y176-P189 HydrophobicContact CE2-CG 4.17Å; Y176-H191 WeakPolarHBondContact CE2-O 3.47Å; Y176-H191 PolarHBondContact OH-O 3.34Å; Y176-L194 HydrophobicContact CE1-CD2 4.26Å; Y176-W197 HydrophobicContact CE1-CH2 4.44Å; Y176-L306 HydrophobicContact CE1-CD1 3.89Å
177	K	98.8	Very high	98.1	Very high	117 Å²	117	47.5 Å²	47.5	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-44.3	172.4	-72.4	172	-171.5	169.8	0	112.2	E173 N174 A180 T181 F281	E173-K177 WeakPolarHBondContact O-CG 3.45Å; E173-K177 PolarHBondContact O-N 3.04Å; N174-K177 PolarHBondContact O-N 2.93Å; K177-A180 PolarHBondContact O-N 2.76Å; K177-T181 PolarHBondContact O-N 3.49Å; K177-F281 HydrophobicContact CB-CE1 3.92Å; K177-F281 HydrophobicContact CD-CE1 4.45Å; K177-F281 HydrophobicContact CD-CZ 4.35Å
178	E	98.8	Very high	98.2	Very high	2 Å²	2	47 Å²	47	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-46.7	175.2	176.6	63.9	-177	0	0	111	N174 M175 A180 T181 D182 F280 F281 G282 C283 R284 F286	N174-E178 PolarHBondContact O-N 3.4Å; M175-E178 PolarHBondContact O-N 2.91Å; E178-A180 VanDerWaalsContact C-N 3.32Å; E178-A180 PolarHBondContact O-N 3.35Å; E178-T181 CarbonylContact O-C 3.04Å; E178-T181 PolarHBondContact O-N 3.14Å; E178-T181 PolarHBondContact O-OG1 3.46Å; E178-D182 VanDerWaalsContact O-CB 3.3Å; E178-D182 WeakPolarHBondContact O-CB 3.25Å; E178-D182 PolarHBondContact O-N 2.78Å; E178-F280 HydrophobicContact CB-CD1 4.29Å; E178-F280 HydrophobicContact CB-CE1 3.62Å; E178-F280 HydrophobicContact CB-CZ 4.3Å; E178-F280 HydrophobicContact CG-CE1 4.13Å; E178-F280 HydrophobicContact CG-CZ 4.5Å; E178-F281 HydrophobicContact CB-CD1 4.46Å; E178-F281 VanDerWaalsContact OE2-CA 3.27Å; E178-F281 WeakPolarHBondContact OE2-CA 3.43Å; E178-G282 PolarHBondContact OE1-N 3.34Å; E178-G282 PolarHBondContact OE2-N 3.4Å; E178-C283 PolarHBondContact OE1-N 3.31Å; E178-C283 VanDerWaalsContact OE1-N 3.07Å; E178-R284 WeakPolarHBondContact OE1-CA 3.31Å; E178-R284 PolarHBondContact OE1-N 3.05Å; E178-F286 HydrophobicContact CB-CE2 4.24Å; E178-F286 HydrophobicContact CG-CD2 4.15Å; E178-F286 HydrophobicContact CG-CE2 3.83Å
179	L	98.8	Very high	98.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.7	-43.6	176.3	-84.8	158.7	0	0	0	112.8	M175 Y176 T181 D182 I183 F186 W197 F286 W303	M175-L179 WeakPolarHBondContact O-CB 3.38Å; M175-L179 WeakPolarHBondContact O-CG 3.42Å; M175-L179 PolarHBondContact O-N 2.98Å; Y176-L179 HydrophobicContact CD1-CD1 3.97Å; Y176-L179 PolarHBondContact O-N 3.31Å; L179-T181 PolarHBondContact O-N 3.45Å; L179-D182 PolarHBondContact O-N 2.91Å; L179-D182 VanDerWaalsContact O-N 3.17Å; L179-I183 HydrophobicContact CD2-CB 4.5Å; L179-I183 HydrophobicContact CD2-CG1 3.76Å; L179-I183 PolarHBondContact O-N 2.79Å; L179-F186 HydrophobicContact CB-CD1 3.57Å; L179-F186 HydrophobicContact CB-CD2 4.14Å; L179-F186 HydrophobicContact CB-CE1 3.61Å; L179-F186 HydrophobicContact CB-CE2 4.19Å; L179-F186 HydrophobicContact CB-CG 3.86Å; L179-F186 HydrophobicContact CB-CZ 3.95Å; L179-F186 HydrophobicContact CD1-CE1 4.31Å; L179-F186 HydrophobicContact CD1-CE2 3.97Å; L179-F186 HydrophobicContact CD1-CZ 3.83Å; L179-F186 HydrophobicContact CD2-CD2 4.34Å; L179-F186 HydrophobicContact CD2-CE2 4.47Å; L179-F186 HydrophobicContact CG-CE2 4.45Å; L179-F186 HydrophobicContact CG-CZ 4.43Å; L179-W197 HydrophobicContact CD1-CH2 3.49Å; L179-W197 VanDerWaalsContact CD1-CH2 3.49Å; L179-W197 HydrophobicContact CD1-CZ2 3.56Å; L179-F286 HydrophobicContact CD1-CD1 4.48Å; L179-F286 HydrophobicContact CD1-CE1 4Å; L179-F286 HydrophobicContact CD1-CE2 4.32Å; L179-F286 HydrophobicContact CD1-CZ 3.91Å; L179-F286 HydrophobicContact CD2-CB 3.84Å; L179-F286 HydrophobicContact CD2-CD1 3.53Å; L179-F286 HydrophobicContact CD2-CD2 3.65Å; L179-F286 HydrophobicContact CD2-CE1 3.89Å; L179-F286 HydrophobicContact CD2-CE2 4.03Å; L179-F286 HydrophobicContact CD2-CG 3.38Å; L179-F286 HydrophobicContact CD2-CZ 4.13Å; L179-F286 HydrophobicContact CG-CD1 4.05Å; L179-F286 HydrophobicContact CG-CD2 3.72Å; L179-F286 HydrophobicContact CG-CE1 3.92Å; L179-F286 HydrophobicContact CG-CE2 3.6Å; L179-F286 HydrophobicContact CG-CG 3.95Å; L179-F286 HydrophobicContact CG-CZ 3.69Å; L179-W303 HydrophobicContact CD2-CB 3.76Å; L179-W303 HydrophobicContact CD2-CG 4.16Å
180	A	98.6	Very high	98.2	Very high	59 Å²	59	50.8 Å²	50.8	49%	0.488	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-26.4	178.5	0	0	0	0	0	113	Y176 K177 E178 F186	Y176-A180 WeakPolarHBondContact O-CB 3.2Å; Y176-A180 PolarHBondContact O-N 3.07Å; K177-A180 PolarHBondContact O-N 2.76Å; E178-A180 VanDerWaalsContact C-N 3.32Å; E178-A180 PolarHBondContact O-N 3.35Å; A180-F186 HydrophobicContact CB-CD1 4.25Å
181	T	98.4	Very high	98.3	Very high	103 Å²	103	47.5 Å²	47.5	63%	0.632	28%	0.279	S	S	*	.	H	α-helix	trans	-93.2	-21.4	175.3	63.1	0	0	0	0	113.8	K177 E178 L179	K177-T181 PolarHBondContact O-N 3.49Å; E178-T181 CarbonylContact O-C 3.04Å; E178-T181 PolarHBondContact O-N 3.14Å; E178-T181 PolarHBondContact O-OG1 3.46Å; L179-T181 PolarHBondContact O-N 3.45Å
182	D	98.7	Very high	98.3	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-98.1	-39.1	-173.3	-170.1	28.9	0	0	0	113.3	E178 L179 R284 F286 S287	E178-D182 VanDerWaalsContact O-CB 3.3Å; E178-D182 WeakPolarHBondContact O-CB 3.25Å; E178-D182 PolarHBondContact O-N 2.78Å; L179-D182 PolarHBondContact O-N 2.91Å; L179-D182 VanDerWaalsContact O-N 3.17Å; D182-R284 VanDerWaalsContact CG-CA 3.43Å; D182-R284 WeakPolarHBondContact OD1-CA 3.41Å; D182-R284 WeakPolarHBondContact OD1-CB 3.28Å; D182-R284 WeakPolarHBondContact OD1-CG 3.42Å; D182-R284 IonicContact OD1-CZ 2.69Å; D182-R284 IonicContact OD1-NE 3.4Å; D182-R284 PolarHBondContact OD1-NE 3.31Å; D182-R284 IonicContact OD1-NH2 2.81Å; D182-R284 VanDerWaalsContact OD2-CA 3.24Å; D182-R284 WeakPolarHBondContact OD2-CA 3.46Å; D182-F286 WeakPolarHBondContact OD2-CA 3.48Å; D182-F286 WeakPolarHBondContact OD2-CB 3.47Å; D182-F286 PolarHBondContact OD2-N 2.98Å; D182-S287 VanDerWaalsContact CG-OG 3.28Å; D182-S287 VanDerWaalsContact OD1-CB 3.26Å; D182-S287 WeakPolarHBondContact OD1-CB 3.12Å; D182-S287 PolarHBondContact OD1-OG 3.16Å; D182-S287 PolarHBondContact OD2-N 2.96Å; D182-S287 PolarHBondContact OD2-OG 3.37Å
183	I	98.6	Very high	98.4	Very high	23 Å²	23	48 Å²	48	12%	0.118	28%	0.28	C	S	.	.	S	Bend	trans	-109.7	114.4	-175	-57.9	-58.1	0	0	0	109.6	L179 G185 F186 F286 W303 K304	L179-I183 HydrophobicContact CD2-CB 4.5Å; L179-I183 HydrophobicContact CD2-CG1 3.76Å; L179-I183 PolarHBondContact O-N 2.79Å; I183-G185 PolarHBondContact O-N 2.85Å; I183-F186 HydrophobicContact CB-CB 4.04Å; I183-F186 HydrophobicContact CG2-CB 4.16Å; I183-F186 WeakPolarHBondContact O-CB 3.02Å; I183-F186 PolarHBondContact O-N 3.38Å; I183-F186 VanDerWaalsContact O-N 3.08Å; I183-F286 HydrophobicContact CD1-CB 3.83Å; I183-F286 HydrophobicContact CG1-CB 3.87Å; I183-W303 HydrophobicContact CG1-CB 4.3Å; I183-W303 HydrophobicContact CG1-CG 4.38Å; I183-K304 HydrophobicContact CG2-CG 4.37Å
184	D	97.9	Very high	98.4	Very high	159 Å²	159	45.2 Å²	45.2	85%	0.85	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	133.1	179.9	-170.5	34.1	0	0	0	112.1	F186 K304	D184-F186 VanDerWaalsContact C-N 3.26Å; D184-F186 PolarHBondContact O-N 2.8Å; D184-K304 PolarHBondContact O-NZ 3.41Å
185	G	97	Very high	98.4	Very high	49 Å²	49	45.8 Å²	45.8	51%	0.505	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	9.5	-175.2	0	0	0	0	0	115.8	I183 K304	I183-G185 PolarHBondContact O-N 2.85Å; G185-K304 WeakPolarHBondContact O-CD 3.43Å
186	F	98.5	Very high	98.4	Very high	15 Å²	15	46.7 Å²	46.7	7%	0.066	28%	0.281	C	S	.	.			trans	-68.4	133.2	170.6	-179.3	-87.8	0	0	0	110.7	Y176 L179 A180 I183 D184 W303 K304	Y176-F186 HydrophobicContact CD1-CE1 4.12Å; Y176-F186 AromaticContact CD1-CZ 3.61Å; Y176-F186 HydrophobicContact CD1-CZ 3.61Å; Y176-F186 HydrophobicContact CE1-CZ 4.14Å; Y176-F186 HydrophobicContact CG-CE1 4.47Å; Y176-F186 HydrophobicContact CG-CZ 4.35Å; L179-F186 HydrophobicContact CB-CD1 3.57Å; L179-F186 HydrophobicContact CB-CD2 4.14Å; L179-F186 HydrophobicContact CB-CE1 3.61Å; L179-F186 HydrophobicContact CB-CE2 4.19Å; L179-F186 HydrophobicContact CB-CG 3.86Å; L179-F186 HydrophobicContact CB-CZ 3.95Å; L179-F186 HydrophobicContact CD1-CE1 4.31Å; L179-F186 HydrophobicContact CD1-CE2 3.97Å; L179-F186 HydrophobicContact CD1-CZ 3.83Å; L179-F186 HydrophobicContact CD2-CD2 4.34Å; L179-F186 HydrophobicContact CD2-CE2 4.47Å; L179-F186 HydrophobicContact CG-CE2 4.45Å; L179-F186 HydrophobicContact CG-CZ 4.43Å; A180-F186 HydrophobicContact CB-CD1 4.25Å; I183-F186 HydrophobicContact CB-CB 4.04Å; I183-F186 HydrophobicContact CG2-CB 4.16Å; I183-F186 WeakPolarHBondContact O-CB 3.02Å; I183-F186 PolarHBondContact O-N 3.38Å; I183-F186 VanDerWaalsContact O-N 3.08Å; D184-F186 VanDerWaalsContact C-N 3.26Å; D184-F186 PolarHBondContact O-N 2.8Å; F186-W303 WeakPolarHBondContact CE2-O 3.4Å; F186-K304 HydrophobicContact CB-CG 4.19Å; F186-K304 HydrophobicContact CD2-CG 3.96Å
187	Q	97.7	Very high	98.3	Very high	164 Å²	164	46.5 Å²	46.5	77%	0.766	28%	0.28	S	S	*	.			trans	-125.6	147.6	174.4	-64.1	-173.4	-7.3	0	0	109.5	P189	Q187-P189 WeakPolarHBondContact O-CD 3.44Å
188	H	98.3	Very high	98.3	Very high	88 Å²	88	41 Å²	41	41%	0.407	26%	0.256	S	S	.	.			trans	-59.1	121.5	176.3	-177.3	-75.9	0	0	0	109.8	E173 Y176 G190	E173-H188 IonicContact OE1-NE2 3.21Å; E173-H188 IonicContact OE2-CD2 3.13Å; E173-H188 IonicContact OE2-NE2 3.1Å; E173-H188 PolarHBondContact OE2-NE2 2.83Å; Y176-H188 AromaticContact CD2-CD2 3.35Å; Y176-H188 WeakPolarHBondContact CD2-CD2 3.49Å; Y176-H188 AromaticContact CD2-NE2 3.3Å; Y176-H188 VanDerWaalsContact CD2-NE2 3.3Å; Y176-H188 WeakPolarHBondContact CD2-NE2 3.3Å; Y176-H188 AromaticContact CE2-NE2 3.68Å; Y176-H188 AromaticContact CG-CD2 3.96Å; H188-G190 PolarHBondContact ND1-N 3.11Å; H188-G190 PolarHBondContact O-N 3.46Å
189	P	97.8	Very high	98.3	Very high	42 Å²	42	50.2 Å²	50.2	27%	0.273	29%	0.291	S	S	.	.			trans	-79	-4.8	-166.7	33.3	-38.9	0	0	0	113.7	Y176 Q187 H191 L306	Y176-P189 HydrophobicContact CE1-CG 4.17Å; Y176-P189 HydrophobicContact CE2-CG 4.17Å; Q187-P189 WeakPolarHBondContact O-CD 3.44Å; P189-H191 VanDerWaalsContact C-N 3.31Å; P189-H191 PolarHBondContact O-CD2 3.11Å; P189-H191 PolarHBondContact O-N 2.9Å; P189-L306 HydrophobicContact CB-CB 4.19Å; P189-L306 HydrophobicContact CG-CB 4.35Å; P189-L306 HydrophobicContact CG-CD1 4.11Å
190	G	97.9	Very high	98.3	Very high	63 Å²	63	52.3 Å²	52.3	65%	0.649	30%	0.301	S	S	*	.	S	Bend	trans	81.4	8.1	179.1	0	0	0	0	0	114.2	H188	H188-G190 PolarHBondContact ND1-N 3.11Å; H188-G190 PolarHBondContact O-N 3.46Å
191	H	98.5	Very high	98.3	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.065	28%	0.278	C	S	.	.	S	Bend	trans	-150.7	170.8	175.2	61.4	86.7	0	0	0	111.5	R164 Y176 P189 D193 L306	R164-H191 HydrophobicContact CG-CB 3.66Å; R164-H191 VanDerWaalsContact CZ-CD2 3.46Å; R164-H191 VanDerWaalsContact CZ-CG 3.42Å; R164-H191 PolarHBondContact NE-CD2 2.92Å; R164-H191 PolarHBondContact NH2-CD2 3.39Å; R164-H191 PolarHBondContact NH2-CE1 3.27Å; R164-H191 PolarHBondContact NH2-ND1 2.88Å; R164-H191 PolarHBondContact NH2-NE2 2.89Å; Y176-H191 WeakPolarHBondContact CE2-O 3.47Å; Y176-H191 PolarHBondContact OH-O 3.34Å; P189-H191 VanDerWaalsContact C-N 3.31Å; P189-H191 PolarHBondContact O-CD2 3.11Å; P189-H191 PolarHBondContact O-N 2.9Å; H191-D193 PolarHBondContact CE1-O 3Å; H191-D193 PolarHBondContact ND1-N 2.85Å; H191-D193 VanDerWaalsContact ND1-N 3.16Å; H191-D193 PolarHBondContact ND1-O 2.8Å; H191-L306 PolarHBondContact CE1-OXT 2.9Å; H191-L306 PolarHBondContact NE2-OXT 3.38Å
192	G	98.3	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.			trans	-104	6.2	179.1	0	0	0	0	0	116.2	S161 V162 L172 L194	S161-G192 WeakPolarHBondContact CA-O 3.4Å; S161-G192 PolarHBondContact OG-O 3.04Å; V162-G192 PolarHBondContact N-O 3.12Å; V162-G192 CarbonylContact O-C 3.52Å; L172-G192 WeakPolarHBondContact CD2-O 3.43Å; G192-L194 PolarHBondContact O-N 3.2Å
193	D	98.6	Very high	98.3	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	25%	0.246	C	C	.	.			trans	-78.8	109.6	-176.4	-170.2	-8.5	0	0	0	112.5	H156 V162 R164 H191 T195	H156-D193 IonicContact CE1-OD1 3.22Å; V162-D193 WeakPolarHBondContact O-CA 3.44Å; V162-D193 PolarHBondContact O-N 2.97Å; R164-D193 IonicContact NH1-OD2 3.58Å; H191-D193 PolarHBondContact CE1-O 3Å; H191-D193 PolarHBondContact ND1-N 2.85Å; H191-D193 VanDerWaalsContact ND1-N 3.16Å; H191-D193 PolarHBondContact ND1-O 2.8Å; D193-T195 WeakPolarHBondContact OD1-CB 3.43Å; D193-T195 PolarHBondContact OD1-N 3.45Å; D193-T195 PolarHBondContact OD1-OG1 3.38Å
194	L	98.7	Very high	98.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.			trans	-91.1	13.2	179.4	-55.3	-178.6	0	0	0	114.7	F160 S161 L172 M175 Y176 G192 G196 W197 A198 L204 L306	F160-L194 HydrophobicContact CB-CD1 4.16Å; S161-L194 PolarHBondContact OG-N 3.27Å; L172-L194 HydrophobicContact CD1-CD1 4.02Å; L172-L194 HydrophobicContact CD1-CD2 4.08Å; L172-L194 HydrophobicContact CD1-CG 4.37Å; M175-L194 HydrophobicContact CE-CD1 4.29Å; Y176-L194 HydrophobicContact CE1-CD2 4.26Å; G192-L194 PolarHBondContact O-N 3.2Å; L194-G196 PolarHBondContact O-N 3.03Å; L194-W197 HydrophobicContact CB-CE3 4.22Å; L194-W197 HydrophobicContact CD1-CE3 4.05Å; L194-W197 HydrophobicContact CD1-CZ3 3.81Å; L194-W197 HydrophobicContact CD2-CD2 4.2Å; L194-W197 HydrophobicContact CD2-CE3 3.81Å; L194-W197 HydrophobicContact CD2-CH2 3.79Å; L194-W197 HydrophobicContact CD2-CZ2 4.22Å; L194-W197 HydrophobicContact CD2-CZ3 3.6Å; L194-W197 HydrophobicContact CG-CE3 4.25Å; L194-W197 HydrophobicContact CG-CZ3 4.22Å; L194-W197 PolarHBondContact O-N 3.35Å; L194-W197 VanDerWaalsContact O-N 3.11Å; L194-A198 PolarHBondContact O-N 3.47Å; L194-L204 HydrophobicContact CB-CD1 3.57Å; L194-L204 HydrophobicContact CD1-CD1 4.24Å; L194-L204 HydrophobicContact CD1-CD2 4.47Å; L194-L306 HydrophobicContact CD2-CD1 3.91Å; L194-L306 HydrophobicContact CD2-CD2 4.1Å
195	T	98.5	Very high	98.3	Very high	24 Å²	24	35.7 Å²	35.7	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-32.1	179.6	-60.4	0	0	0	0	112.2	V133 D193 W197 A198 R199	V133-T195 HydrophobicContact CG1-CG2 4.01Å; V133-T195 HydrophobicContact CG2-CG2 4.48Å; D193-T195 WeakPolarHBondContact OD1-CB 3.43Å; D193-T195 PolarHBondContact OD1-N 3.45Å; D193-T195 PolarHBondContact OD1-OG1 3.38Å; T195-W197 VanDerWaalsContact C-N 3.33Å; T195-W197 PolarHBondContact O-N 3.16Å; T195-A198 PolarHBondContact O-N 3.41Å; T195-R199 HydrophobicContact CG2-CG 4.45Å; T195-R199 WeakPolarHBondContact O-CG 3.32Å; T195-R199 PolarHBondContact O-N 3.08Å
196	G	98.4	Very high	98.3	Very high	20 Å²	20	34 Å²	34	21%	0.206	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-39.5	176.3	0	0	0	0	0	113.5	L194 Q200 A305	L194-G196 PolarHBondContact O-N 3.03Å; G196-Q200 WeakPolarHBondContact O-CG 3.4Å; G196-Q200 PolarHBondContact O-NE2 3.3Å; G196-Q200 VanDerWaalsContact O-NE2 3.12Å; G196-A305 CarbonylContact C-O 3.6Å; G196-A305 WeakPolarHBondContact CA-O 3.21Å
197	W	98.7	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-71.5	-40.7	173.6	-62.4	-12.1	0	0	0	112	M175 Y176 L179 L194 T195 R199 Q200 V202 F286 W303 L306	M175-W197 HydrophobicContact CE-CH2 4.26Å; M175-W197 HydrophobicContact CE-CZ3 3.82Å; Y176-W197 HydrophobicContact CE1-CH2 4.44Å; L179-W197 HydrophobicContact CD1-CH2 3.49Å; L179-W197 VanDerWaalsContact CD1-CH2 3.49Å; L179-W197 HydrophobicContact CD1-CZ2 3.56Å; L194-W197 HydrophobicContact CB-CE3 4.22Å; L194-W197 HydrophobicContact CD1-CE3 4.05Å; L194-W197 HydrophobicContact CD1-CZ3 3.81Å; L194-W197 HydrophobicContact CD2-CD2 4.2Å; L194-W197 HydrophobicContact CD2-CE3 3.81Å; L194-W197 HydrophobicContact CD2-CH2 3.79Å; L194-W197 HydrophobicContact CD2-CZ2 4.22Å; L194-W197 HydrophobicContact CD2-CZ3 3.6Å; L194-W197 HydrophobicContact CG-CE3 4.25Å; L194-W197 HydrophobicContact CG-CZ3 4.22Å; L194-W197 PolarHBondContact O-N 3.35Å; L194-W197 VanDerWaalsContact O-N 3.11Å; T195-W197 VanDerWaalsContact C-N 3.33Å; T195-W197 PolarHBondContact O-N 3.16Å; W197-R199 VanDerWaalsContact C-N 3.28Å; W197-R199 PolarHBondContact O-N 3.28Å; W197-Q200 WeakPolarHBondContact O-CB 3.35Å; W197-Q200 PolarHBondContact O-N 3.36Å; W197-V202 HydrophobicContact CB-CB 3.99Å; W197-V202 HydrophobicContact CB-CG1 4.48Å; W197-V202 HydrophobicContact CB-CG2 3.97Å; W197-V202 WeakPolarHBondContact O-CB 3.21Å; W197-V202 WeakPolarHBondContact O-CG2 3.39Å; W197-V202 PolarHBondContact O-N 2.98Å; W197-F286 HydrophobicContact CH2-CE1 4.29Å; W197-W303 AromaticContact CD2-CE3 3.79Å; W197-W303 HydrophobicContact CD2-CE3 3.79Å; W197-W303 AromaticContact CD2-CZ3 3.97Å; W197-W303 HydrophobicContact CD2-CZ3 3.97Å; W197-W303 AromaticContact CE2-CE3 3.71Å; W197-W303 HydrophobicContact CE3-CE3 4.24Å; W197-W303 HydrophobicContact CE3-CZ3 4.09Å; W197-W303 HydrophobicContact CG-CE3 4.11Å; W197-W303 HydrophobicContact CG-CZ3 4.24Å; W197-W303 HydrophobicContact CZ2-CE3 4.12Å; W197-W303 AromaticContact NE1-CE3 3.93Å; W197-W303 PolarHBondContact NE1-O 3.39Å; W197-L306 HydrophobicContact CD2-CD2 4.07Å; W197-L306 HydrophobicContact CG-CD2 3.88Å; W197-L306 HydrophobicContact CH2-CD1 4.41Å; W197-L306 HydrophobicContact CZ2-CD1 3.59Å; W197-L306 HydrophobicContact CZ2-CG 4.32Å
198	A	98.4	Very high	98.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-39.5	179.6	0	0	0	0	0	112.2	V133 C134 L158 L194 T195 Q200 G201 V202 L204	V133-A198 HydrophobicContact CB-CB 4.15Å; V133-A198 HydrophobicContact CG1-CB 3.5Å; V133-A198 VanDerWaalsContact CG1-CB 3.5Å; C134-A198 WeakPolarHBondContact CB-O 3.38Å; L158-A198 HydrophobicContact CD1-CB 4.31Å; L158-A198 HydrophobicContact CD2-CB 4.49Å; L194-A198 PolarHBondContact O-N 3.47Å; T195-A198 PolarHBondContact O-N 3.41Å; A198-Q200 PolarHBondContact O-N 3.35Å; A198-G201 PolarHBondContact O-N 2.96Å; A198-V202 WeakPolarHBondContact CA-O 3.43Å; A198-L204 HydrophobicContact CB-CD1 4.37Å
199	R	98.4	Very high	98.1	Very high	196 Å²	196	21.8 Å²	21.8	74%	0.74	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.2	175.2	-70.6	176.9	-177.6	-106.3	0.8	113.9	V133 T195 W197	V133-R199 HydrophobicContact CG1-CB 4.49Å; V133-R199 HydrophobicContact CG1-CG 3.62Å; T195-R199 HydrophobicContact CG2-CG 4.45Å; T195-R199 WeakPolarHBondContact O-CG 3.32Å; T195-R199 PolarHBondContact O-N 3.08Å; W197-R199 VanDerWaalsContact C-N 3.28Å; W197-R199 PolarHBondContact O-N 3.28Å
200	Q	98.5	Very high	98.1	Very high	44 Å²	44	19.8 Å²	19.8	21%	0.206	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.5	-179.5	-65.1	177.4	64.6	0	0	113.7	K140 G196 W197 A198 I301 D302	K140-Q200 PolarHBondContact NZ-O 3.03Å; G196-Q200 WeakPolarHBondContact O-CG 3.4Å; G196-Q200 PolarHBondContact O-NE2 3.3Å; G196-Q200 VanDerWaalsContact O-NE2 3.12Å; W197-Q200 WeakPolarHBondContact O-CB 3.35Å; W197-Q200 PolarHBondContact O-N 3.36Å; A198-Q200 PolarHBondContact O-N 3.35Å; Q200-I301 HydrophobicContact CB-CD1 4.1Å; Q200-I301 HydrophobicContact CB-CG2 4.49Å; Q200-D302 PolarHBondContact NE2-O 2.7Å; Q200-D302 PolarHBondContact OE1-O 3.17Å
201	G	98.4	Very high	98.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	101	17.1	-176.5	0	0	0	0	0	114.5	D138 K140 V141 A198	D138-G201 VanDerWaalsContact O-CA 3.25Å; D138-G201 WeakPolarHBondContact O-CA 3.49Å; K140-G201 PolarHBondContact N-O 2.69Å; V141-G201 PolarHBondContact N-O 3.49Å; V141-G201 VanDerWaalsContact N-O 3.1Å; A198-G201 PolarHBondContact O-N 2.96Å
202	V	98.8	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	101.2	171.9	-173.5	0	0	0	0	109.6	V141 I143 W197 A198 L204 I301 W303	V141-V202 HydrophobicContact CB-CG1 4.28Å; V141-V202 HydrophobicContact CB-CG2 4.22Å; V141-V202 HydrophobicContact CG1-CG1 4.35Å; V141-V202 CarbonylContact O-C 3.47Å; V141-V202 WeakPolarHBondContact O-CA 3.25Å; I143-V202 HydrophobicContact CD1-CG1 3.78Å; I143-V202 HydrophobicContact CG1-CG1 4.07Å; W197-V202 HydrophobicContact CB-CB 3.99Å; W197-V202 HydrophobicContact CB-CG1 4.48Å; W197-V202 HydrophobicContact CB-CG2 3.97Å; W197-V202 WeakPolarHBondContact O-CB 3.21Å; W197-V202 WeakPolarHBondContact O-CG2 3.39Å; W197-V202 PolarHBondContact O-N 2.98Å; A198-V202 WeakPolarHBondContact CA-O 3.43Å; V202-L204 HydrophobicContact CG1-CD2 4.08Å; V202-L204 HydrophobicContact CG1-CG 4.37Å; V202-L204 PolarHBondContact O-N 3.12Å; V202-L204 VanDerWaalsContact O-N 3.17Å; V202-I301 HydrophobicContact CG2-CD1 3.85Å; V202-I301 HydrophobicContact CG2-CG1 3.9Å; V202-I301 HydrophobicContact CG2-CG2 3.86Å; V202-W303 HydrophobicContact CG1-CH2 4.48Å; V202-W303 HydrophobicContact CG1-CZ3 4.4Å; V202-W303 HydrophobicContact CG2-CH2 3.91Å; V202-W303 HydrophobicContact CG2-CZ3 3.9Å
203	L	98.8	Very high	98.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	109.5	174.3	177.6	64.6	0	0	0	110.3	W91 W130 V139 V141 V142 I143 L205 V231 L235	W91-L203 HydrophobicContact CH2-CD1 4.13Å; W91-L203 HydrophobicContact CH2-CD2 3.86Å; W91-L203 HydrophobicContact CZ2-CD1 4.13Å; W130-L203 HydrophobicContact CB-CD1 4.15Å; W130-L203 HydrophobicContact CD2-CD1 4.4Å; W130-L203 HydrophobicContact CE3-CD1 3.71Å; V139-L203 HydrophobicContact CG1-CB 4.06Å; V139-L203 HydrophobicContact CG2-CB 4.41Å; V141-L203 PolarHBondContact O-N 3.33Å; V142-L203 HydrophobicContact CG1-CD2 4.18Å; V142-L203 HydrophobicContact CG2-CB 4.2Å; V142-L203 HydrophobicContact CG2-CD2 4.14Å; I143-L203 PolarHBondContact N-O 3.48Å; L203-L205 HydrophobicContact CD1-CB 4.36Å; L203-L205 HydrophobicContact CD2-CB 4.35Å; L203-L205 HydrophobicContact CD2-CD2 4.39Å; L203-L205 HydrophobicContact CG-CB 4.02Å; L203-L205 PolarHBondContact O-N 2.84Å; L203-V231 HydrophobicContact CD2-CG1 4.35Å; L203-L235 HydrophobicContact CD2-CD1 3.55Å
204	L	98.6	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	81.2	177.4	-64.6	171.4	0	0	0	110.6	I143 L158 C159 L194 A198 V202	I143-L204 HydrophobicContact CB-CD2 4.1Å; I143-L204 HydrophobicContact CD1-CD2 3.95Å; I143-L204 HydrophobicContact CG1-CD2 4.44Å; L158-L204 HydrophobicContact CB-CB 4.05Å; L158-L204 HydrophobicContact CB-CD1 4.03Å; L158-L204 HydrophobicContact CD1-CD1 4.3Å; L158-L204 HydrophobicContact CD2-CB 4.28Å; C159-L204 PolarHBondContact N-O 2.86Å; C159-L204 VanDerWaalsContact N-O 3.11Å; C159-L204 WeakPolarHBondContact SG-CA 3.44Å; L194-L204 HydrophobicContact CB-CD1 3.57Å; L194-L204 HydrophobicContact CD1-CD1 4.24Å; L194-L204 HydrophobicContact CD1-CD2 4.47Å; A198-L204 HydrophobicContact CB-CD1 4.37Å; V202-L204 HydrophobicContact CG1-CD2 4.08Å; V202-L204 HydrophobicContact CG1-CG 4.37Å; V202-L204 PolarHBondContact O-N 3.12Å; V202-L204 VanDerWaalsContact O-N 3.17Å
205	L	98	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.2	-171.3	-175.1	68.2	0	0	0	111.8	W130 I143 L144 G145 L203 L209 T228 V231	W130-L205 HydrophobicContact CD2-CD1 3.83Å; W130-L205 HydrophobicContact CE3-CD1 4.3Å; W130-L205 HydrophobicContact CG-CD1 4.09Å; W130-L205 HydrophobicContact CZ2-CD1 4.26Å; I143-L205 PolarHBondContact O-N 3.31Å; I143-L205 VanDerWaalsContact O-N 3.11Å; L144-L205 CarbonylContact C-O 3.55Å; L144-L205 VanDerWaalsContact CA-O 3.31Å; L144-L205 WeakPolarHBondContact CA-O 3.48Å; L144-L205 HydrophobicContact CD2-CB 4.11Å; L144-L205 HydrophobicContact CD2-CD2 4.23Å; L144-L205 HydrophobicContact CD2-CG 4.47Å; G145-L205 PolarHBondContact N-O 3.49Å; L203-L205 HydrophobicContact CD1-CB 4.36Å; L203-L205 HydrophobicContact CD2-CB 4.35Å; L203-L205 HydrophobicContact CD2-CD2 4.39Å; L203-L205 HydrophobicContact CG-CB 4.02Å; L203-L205 PolarHBondContact O-N 2.84Å; L205-L209 HydrophobicContact CD1-CD2 3.98Å; L205-T228 HydrophobicContact CD1-CG2 4.25Å; L205-T228 HydrophobicContact CD2-CG2 4.42Å; L205-T228 HydrophobicContact CG-CG2 4.42Å; L205-V231 HydrophobicContact CD2-CB 4.13Å; L205-V231 HydrophobicContact CD2-CG1 3.78Å
206	N	97	Very high	97.6	Very high	13 Å²	13	31 Å²	31	7%	0.07	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	151.2	164.7	-74.9	-47	0	0	0	110.4	G145 C159 V208 L209 T228	G145-N206 VanDerWaalsContact CA-OD1 3.26Å; G145-N206 WeakPolarHBondContact CA-OD1 3.45Å; C159-N206 WeakPolarHBondContact CB-OD1 3.49Å; N206-V208 WeakPolarHBondContact CB-O 3.48Å; N206-L209 HydrophobicContact CB-CD2 4.18Å; N206-L209 WeakPolarHBondContact O-CD2 3.32Å; N206-T228 WeakPolarHBondContact O-CG2 3.43Å
207	A	94.4	Very high	97.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	15%	0.154	C	C	.	.	S	Bend	trans	-67	-39.1	171.7	0	0	0	0	0	113.2	G145 Q146 W224 T228 Y250 K254	G145-A207 PolarHBondContact O-N 2.92Å; Q146-A207 WeakPolarHBondContact O-CB 3.47Å; Q146-A207 PolarHBondContact O-N 2.67Å; A207-W224 CarbonylContact O-C 3.51Å; A207-T228 WeakPolarHBondContact O-CG2 3.45Å; A207-T228 PolarHBondContact O-OG1 3.3Å; A207-Y250 HydrophobicContact CB-CD1 4.1Å; A207-Y250 HydrophobicContact CB-CE1 3.21Å; A207-K254 HydrophobicContact CB-CD 3.96Å; A207-K254 VanDerWaalsContact CB-CE 3.4Å
208	V	97.3	Very high	97.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.165	C	C	.	.	S	Bend	trans	-107.8	128.9	172.4	-176.1	0	0	0	0	107.8	Q146 D147 P148 N206 T210 H219 W224 E225	Q146-V208 PolarHBondContact O-N 3.38Å; D147-V208 HydrophobicContact CB-CB 4.2Å; P148-V208 VanDerWaalsContact CD-O 3.24Å; P148-V208 WeakPolarHBondContact CD-O 3.34Å; N206-V208 WeakPolarHBondContact CB-O 3.48Å; V208-T210 WeakPolarHBondContact CG1-O 3.26Å; V208-H219 HydrophobicContact CG1-CB 4.07Å; V208-W224 HydrophobicContact CB-CB 4.43Å; V208-W224 HydrophobicContact CG1-CB 4.27Å; V208-W224 HydrophobicContact CG1-CG 4.24Å; V208-E225 HydrophobicContact CG2-CG 4.43Å; V208-E225 WeakPolarHBondContact CG2-OE1 3.46Å
209	L	98.1	Very high	97.4	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	17%	0.165	C	C	.	.			trans	-99.2	-2.8	-171.8	-58.4	-173.3	0	0	0	114.6	P122 V127 F128 W130 L205 N206 W224 F227 T228	P122-L209 VanDerWaalsContact CD-O 3.25Å; P122-L209 WeakPolarHBondContact CD-O 3.48Å; V127-L209 HydrophobicContact CG1-CB 3.97Å; F128-L209 HydrophobicContact CD1-CD1 4.31Å; F128-L209 HydrophobicContact CE1-CD1 4.07Å; W130-L209 HydrophobicContact CZ2-CD1 4.34Å; L205-L209 HydrophobicContact CD1-CD2 3.98Å; N206-L209 HydrophobicContact CB-CD2 4.18Å; N206-L209 WeakPolarHBondContact O-CD2 3.32Å; L209-W224 HydrophobicContact CB-CD2 3.73Å; L209-W224 HydrophobicContact CB-CE3 3.71Å; L209-W224 HydrophobicContact CB-CG 4.39Å; L209-W224 HydrophobicContact CB-CH2 4.08Å; L209-W224 HydrophobicContact CB-CZ2 4.09Å; L209-W224 HydrophobicContact CB-CZ3 3.93Å; L209-W224 HydrophobicContact CD1-CE3 3.67Å; L209-W224 HydrophobicContact CD1-CH2 4.34Å; L209-W224 HydrophobicContact CD1-CZ3 3.59Å; L209-W224 HydrophobicContact CG-CD2 4.12Å; L209-W224 HydrophobicContact CG-CE3 3.72Å; L209-W224 HydrophobicContact CG-CZ3 4.07Å; L209-F227 HydrophobicContact CD1-CD1 4.16Å; L209-F227 HydrophobicContact CD1-CE1 4.12Å; L209-T228 HydrophobicContact CD1-CG2 4.21Å; L209-T228 HydrophobicContact CD2-CG2 4.16Å; L209-T228 HydrophobicContact CG-CG2 4.06Å
210	T	98.5	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.			trans	-142	156.8	176.1	55.6	0	0	0	0	111	V111 V120 Y121 V127 V208 H219 W224	V111-T210 HydrophobicContact CG1-CG2 4.21Å; V120-T210 HydrophobicContact CG1-CG2 4.26Å; Y121-T210 CarbonylContact O-C 3.42Å; Y121-T210 WeakPolarHBondContact O-CA 3.36Å; V127-T210 HydrophobicContact CG1-CG2 4.25Å; V127-T210 HydrophobicContact CG2-CG2 3.91Å; V208-T210 WeakPolarHBondContact CG1-O 3.26Å; T210-H219 WeakPolarHBondContact CB-ND1 3.13Å; T210-H219 WeakPolarHBondContact O-CB 3.12Å; T210-H219 PolarHBondContact OG1-ND1 2.85Å; T210-W224 HydrophobicContact CG2-CZ2 3.83Å; T210-W224 PolarHBondContact OG1-NE1 3.25Å
211	V	98.4	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.1	177.8	67	0	0	0	0	110	V120 Y121 P148 H150 H215	V120-V211 CarbonylContact C-O 3.42Å; V120-V211 VanDerWaalsContact CA-O 3.32Å; V120-V211 WeakPolarHBondContact CA-O 3.4Å; Y121-V211 PolarHBondContact N-O 3.4Å; Y121-V211 PolarHBondContact O-N 2.91Å; P148-V211 HydrophobicContact CB-CG1 4.07Å; P148-V211 HydrophobicContact CG-CG1 4.38Å; H150-V211 HydrophobicContact CB-CG1 3.99Å; H150-V211 HydrophobicContact CB-CG2 3.97Å; V211-H215 WeakPolarHBondContact CG2-O 3.42Å
212	R	98.6	Very high	97.1	Very high	65 Å²	65	40.5 Å²	40.5	25%	0.245	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139	172.1	-174.7	-171.9	-62.3	173.5	-5.2	108.6	E114 H118 H214 H215 S218	E114-R212 IonicContact OE1-CZ 3.63Å; E114-R212 IonicContact OE1-NH2 2.62Å; E114-R212 PolarHBondContact OE1-NH2 3.04Å; E114-R212 IonicContact OE2-CZ 3.74Å; E114-R212 VanDerWaalsContact OE2-CZ 3.22Å; E114-R212 IonicContact OE2-NE 3.04Å; E114-R212 PolarHBondContact OE2-NE 3.14Å; E114-R212 IonicContact OE2-NH2 2.85Å; E114-R212 PolarHBondContact OE2-NH2 3.04Å; H118-R212 HydrophobicContact CB-CG 3.89Å; H118-R212 PolarHBondContact CE1-NH2 3.46Å; H118-R212 PolarHBondContact ND1-NE 2.93Å; R212-H214 PolarHBondContact O-N 2.88Å; R212-H215 HydrophobicContact CB-CB 4.27Å; R212-H215 PolarHBondContact O-N 3.01Å; R212-S218 WeakPolarHBondContact CB-OG 3.31Å; R212-S218 PolarHBondContact N-OG 3.39Å
213	A	97.9	Very high	97.1	Very high	14 Å²	14	41 Å²	41	12%	0.116	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	131.6	177.1	0	0	0	0	0	111.3	T119 Y121 H215	T119-A213 HydrophobicContact CG2-CB 4.1Å; T119-A213 PolarHBondContact O-N 2.7Å; Y121-A213 HydrophobicContact CD2-CB 4.18Å; Y121-A213 HydrophobicContact CE2-CB 3.48Å; Y121-A213 VanDerWaalsContact CE2-CB 3.48Å; A213-H215 PolarHBondContact O-N 3.12Å; A213-H215 VanDerWaalsContact O-N 3.12Å; A213-H215 PolarHBondContact O-ND1 3.49Å
214	H	96.7	Very high	97.1	Very high	128 Å²	128	41 Å²	41	59%	0.593	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	6.8	179.3	-46.7	-72.2	0	0	0	116.7	H150 R212	H150-H214 PolarHBondContact O-N 2.98Å; R212-H214 PolarHBondContact O-N 2.88Å
215	H	95.8	Very high	97	Very high	101 Å²	101	42 Å²	42	47%	0.468	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-123.6	86	-179	-64.1	74.9	0	0	0	110.3	V211 R212 A213 N217 S218	V211-H215 WeakPolarHBondContact CG2-O 3.42Å; R212-H215 HydrophobicContact CB-CB 4.27Å; R212-H215 PolarHBondContact O-N 3.01Å; A213-H215 PolarHBondContact O-N 3.12Å; A213-H215 VanDerWaalsContact O-N 3.12Å; A213-H215 PolarHBondContact O-ND1 3.49Å; H215-N217 PolarHBondContact O-N 3.35Å; H215-S218 VanDerWaalsContact O-CB 3.27Å; H215-S218 WeakPolarHBondContact O-CB 3.41Å; H215-S218 PolarHBondContact O-N 3.45Å; H215-S218 VanDerWaalsContact O-N 3.16Å; H215-S218 PolarHBondContact O-OG 3.19Å
216	A	92.8	Very high	96.9	Very high	56 Å²	56	45.3 Å²	45.3	46%	0.463	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139.2	174.3	0	0	0	0	0	111.1	S218	A216-S218 PolarHBondContact O-N 3.39Å
217	N	94.1	Very high	97	Very high	48 Å²	48	44.7 Å²	44.7	26%	0.257	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	18.4	-178.7	-57.1	-67.2	0	0	0	116	Q146 D147 H215 H219 K220	Q146-N217 PolarHBondContact NE2-ND2 3.4Å; Q146-N217 PolarHBondContact NE2-OD1 3.42Å; D147-N217 PolarHBondContact OD2-N 3.4Å; H215-N217 PolarHBondContact O-N 3.35Å; N217-H219 PolarHBondContact O-N 3.14Å; N217-K220 HydrophobicContact CB-CB 4.4Å; N217-K220 HydrophobicContact CB-CD 4.15Å; N217-K220 WeakPolarHBondContact O-CB 3.41Å; N217-K220 WeakPolarHBondContact O-CG 3.48Å; N217-K220 PolarHBondContact O-N 3.36Å
218	S	97.5	Very high	97.1	Very high	32 Å²	32	44.6 Å²	44.6	22%	0.224	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.9	-177.6	65.7	0	0	0	0	114.3	R212 H215 A216	R212-S218 WeakPolarHBondContact CB-OG 3.31Å; R212-S218 PolarHBondContact N-OG 3.39Å; H215-S218 VanDerWaalsContact O-CB 3.27Å; H215-S218 WeakPolarHBondContact O-CB 3.41Å; H215-S218 PolarHBondContact O-N 3.45Å; H215-S218 VanDerWaalsContact O-N 3.16Å; H215-S218 PolarHBondContact O-OG 3.19Å; A216-S218 PolarHBondContact O-N 3.39Å
219	H	98	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	14.2	-179	-63.3	-172.8	0	0	0	113	F110 E114 V208 T210 N217 R222	F110-H219 HydrophobicContact CE1-CB 4.06Å; F110-H219 AromaticContact CE1-CD2 3.77Å; F110-H219 AromaticContact CE1-CG 3.68Å; F110-H219 AromaticContact CE1-ND1 3.92Å; F110-H219 AromaticContact CZ-CD2 3.65Å; E114-H219 IonicContact OE2-NE2 3.21Å; E114-H219 PolarHBondContact OE2-NE2 3.39Å; V208-H219 HydrophobicContact CG1-CB 4.07Å; T210-H219 WeakPolarHBondContact CB-ND1 3.13Å; T210-H219 WeakPolarHBondContact O-CB 3.12Å; T210-H219 PolarHBondContact OG1-ND1 2.85Å; N217-H219 PolarHBondContact O-N 3.14Å; H219-R222 WeakPolarHBondContact O-CB 3.21Å; H219-R222 WeakPolarHBondContact O-CG 3.25Å
220	K	96.5	Very high	97.1	Very high	115 Å²	115	48.3 Å²	48.3	50%	0.5	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	151.7	170.3	75.5	176.9	-178.9	171.9	0	110.8	N217 R222 E225	N217-K220 HydrophobicContact CB-CB 4.4Å; N217-K220 HydrophobicContact CB-CD 4.15Å; N217-K220 WeakPolarHBondContact O-CB 3.41Å; N217-K220 WeakPolarHBondContact O-CG 3.48Å; N217-K220 PolarHBondContact O-N 3.36Å; K220-R222 WeakPolarHBondContact O-CG 3.18Å; K220-R222 PolarHBondContact O-N 3.02Å; K220-R222 VanDerWaalsContact O-N 3.16Å; K220-E225 WeakPolarHBondContact CA-OE1 3.42Å
221	D	96.2	Very high	97	Very high	128 Å²	128	48.3 Å²	48.3	68%	0.684	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	25.3	175.8	-51.1	-50.3	0	0	0	113.1	E225	D221-E225 PolarHBondContact N-OE1 3.11Å; D221-E225 PolarHBondContact N-OE2 3.11Å
222	R	98.1	Very high	96.9	Very high	139 Å²	139	48.4 Å²	48.4	53%	0.525	25%	0.249	S	C	.	.	S	Bend	trans	-102.1	-3.3	177.7	-61.2	-63	-175.2	178.4	0.7	113.6	L107 F110 H219 K220	L107-R222 HydrophobicContact CD1-CB 4.15Å; L107-R222 VanDerWaalsContact CD1-O 3.27Å; L107-R222 WeakPolarHBondContact CD1-O 3.43Å; F110-R222 HydrophobicContact CD1-CB 3.86Å; F110-R222 HydrophobicContact CD1-CG 3.96Å; F110-R222 HydrophobicContact CE1-CB 3.85Å; F110-R222 HydrophobicContact CE1-CG 3.54Å; F110-R222 HydrophobicContact CE2-CG 4.15Å; F110-R222 HydrophobicContact CG-CB 4.48Å; F110-R222 HydrophobicContact CG-CG 4.45Å; F110-R222 HydrophobicContact CZ-CB 4.44Å; F110-R222 HydrophobicContact CZ-CG 3.64Å; H219-R222 WeakPolarHBondContact O-CB 3.21Å; H219-R222 WeakPolarHBondContact O-CG 3.25Å; K220-R222 WeakPolarHBondContact O-CG 3.18Å; K220-R222 PolarHBondContact O-N 3.02Å; K220-R222 VanDerWaalsContact O-N 3.16Å
223	G	97.9	Very high	96.8	Very high	10 Å²	10	49.5 Å²	49.5	10%	0.103	26%	0.257	C	S	.	.	S	Bend	trans	116.2	-4.8	175.4	0	0	0	0	0	114.8	Y103 E225 T226 F227	Y103-G223 WeakPolarHBondContact CE2-O 3.38Å; G223-E225 VanDerWaalsContact C-N 3.25Å; G223-E225 PolarHBondContact O-N 3.15Å; G223-T226 PolarHBondContact O-N 3.49Å; G223-F227 PolarHBondContact O-N 2.69Å
224	W	98	Very high	96.8	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-36	174	-79.2	121.4	0	0	0	111.9	L107 M108 V111 V127 F128 A207 V208 L209 T210 T226 F227 T228	L107-W224 HydrophobicContact CD1-CD2 4.02Å; L107-W224 HydrophobicContact CD1-CG 3.92Å; L107-W224 HydrophobicContact CD2-CD2 3.68Å; L107-W224 HydrophobicContact CD2-CE3 3.64Å; L107-W224 HydrophobicContact CD2-CG 4.17Å; L107-W224 HydrophobicContact CD2-CH2 4.29Å; L107-W224 HydrophobicContact CD2-CZ2 4.34Å; L107-W224 HydrophobicContact CD2-CZ3 3.92Å; L107-W224 HydrophobicContact CG-CD2 4.3Å; L107-W224 HydrophobicContact CG-CZ2 4.48Å; M108-W224 HydrophobicContact CE-CH2 3.38Å; M108-W224 HydrophobicContact CE-CZ2 3.75Å; M108-W224 HydrophobicContact CE-CZ3 4.02Å; V111-W224 HydrophobicContact CG2-CZ2 4.11Å; V127-W224 HydrophobicContact CG1-CH2 3.76Å; V127-W224 HydrophobicContact CG1-CZ2 4.09Å; F128-W224 HydrophobicContact CE1-CH2 4.07Å; F128-W224 AromaticContact CE1-CZ3 3.93Å; F128-W224 HydrophobicContact CE1-CZ3 3.93Å; F128-W224 AromaticContact CZ-CH2 3.72Å; F128-W224 HydrophobicContact CZ-CH2 3.72Å; F128-W224 AromaticContact CZ-CZ3 4Å; F128-W224 HydrophobicContact CZ-CZ3 4Å; A207-W224 CarbonylContact O-C 3.51Å; V208-W224 HydrophobicContact CB-CB 4.43Å; V208-W224 HydrophobicContact CG1-CB 4.27Å; V208-W224 HydrophobicContact CG1-CG 4.24Å; L209-W224 HydrophobicContact CB-CD2 3.73Å; L209-W224 HydrophobicContact CB-CE3 3.71Å; L209-W224 HydrophobicContact CB-CG 4.39Å; L209-W224 HydrophobicContact CB-CH2 4.08Å; L209-W224 HydrophobicContact CB-CZ2 4.09Å; L209-W224 HydrophobicContact CB-CZ3 3.93Å; L209-W224 HydrophobicContact CD1-CE3 3.67Å; L209-W224 HydrophobicContact CD1-CH2 4.34Å; L209-W224 HydrophobicContact CD1-CZ3 3.59Å; L209-W224 HydrophobicContact CG-CD2 4.12Å; L209-W224 HydrophobicContact CG-CE3 3.72Å; L209-W224 HydrophobicContact CG-CZ3 4.07Å; T210-W224 HydrophobicContact CG2-CZ2 3.83Å; T210-W224 PolarHBondContact OG1-NE1 3.25Å; W224-T226 PolarHBondContact O-N 3.45Å; W224-F227 HydrophobicContact CE3-CD1 4Å; W224-F227 AromaticContact CZ3-CD1 3.98Å; W224-F227 HydrophobicContact CZ3-CD1 3.98Å; W224-F227 HydrophobicContact CZ3-CE1 4.42Å; W224-F227 PolarHBondContact O-N 3.07Å; W224-T228 WeakPolarHBondContact O-CG2 3.41Å; W224-T228 PolarHBondContact O-N 3.05Å; W224-T228 PolarHBondContact O-OG1 3.29Å; W224-T228 VanDerWaalsContact O-OG1 3.05Å
225	E	96.6	Very high	96.8	Very high	22 Å²	22	44.4 Å²	44.4	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-47.4	179.5	-63.9	86	167.3	0	0	110.9	V208 K220 D221 G223 F227 T228 D229 Y250 K254	V208-E225 HydrophobicContact CG2-CG 4.43Å; V208-E225 WeakPolarHBondContact CG2-OE1 3.46Å; K220-E225 WeakPolarHBondContact CA-OE1 3.42Å; D221-E225 PolarHBondContact N-OE1 3.11Å; D221-E225 PolarHBondContact N-OE2 3.11Å; G223-E225 VanDerWaalsContact C-N 3.25Å; G223-E225 PolarHBondContact O-N 3.15Å; E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 2.86Å; E225-T228 PolarHBondContact O-N 3.47Å; E225-T228 PolarHBondContact O-OG1 3.12Å; E225-D229 WeakPolarHBondContact O-CB 3.35Å; E225-D229 PolarHBondContact O-N 3.35Å; E225-D229 VanDerWaalsContact O-OD2 3.14Å; E225-Y250 WeakPolarHBondContact CG-OH 3.4Å; E225-K254 PolarHBondContact O-NZ 2.95Å
226	T	97.6	Very high	96.8	Very high	69 Å²	69	39.8 Å²	39.8	42%	0.423	21%	0.209	S	C	.	.	H	α-helix	trans	-59.5	-42.2	175.5	-51.1	0	0	0	0	111.6	Y103 G223 W224 A230	Y103-T226 HydrophobicContact CD1-CG2 4.04Å; Y103-T226 HydrophobicContact CD2-CG2 4.04Å; Y103-T226 HydrophobicContact CE1-CG2 3.75Å; Y103-T226 HydrophobicContact CE2-CG2 3.8Å; Y103-T226 HydrophobicContact CG-CG2 4.18Å; G223-T226 PolarHBondContact O-N 3.49Å; W224-T226 PolarHBondContact O-N 3.45Å; T226-A230 PolarHBondContact O-N 3.46Å; T226-A230 VanDerWaalsContact O-N 3.14Å
227	F	98	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-47	178.8	177.6	-109.6	0	0	0	112	F87 L95 E98 F99 Y103 F104 F128 W130 L209 G223 W224 E225 D229 A230 V231	F87-F227 HydrophobicContact CE2-CE1 4.32Å; F87-F227 AromaticContact CE2-CZ 3.71Å; F87-F227 HydrophobicContact CE2-CZ 3.71Å; F87-F227 AromaticContact CZ-CZ 3.79Å; F87-F227 HydrophobicContact CZ-CZ 3.79Å; L95-F227 HydrophobicContact CD1-CZ 4.26Å; E98-F227 HydrophobicContact CB-CD2 3.98Å; E98-F227 HydrophobicContact CB-CE2 4.11Å; E98-F227 HydrophobicContact CG-CD2 4.31Å; E98-F227 HydrophobicContact CG-CE2 4.49Å; F99-F227 HydrophobicContact CD1-CE2 4.42Å; F99-F227 AromaticContact CE1-CE2 3.78Å; F99-F227 HydrophobicContact CE1-CE2 3.78Å; F99-F227 HydrophobicContact CE1-CZ 4.12Å; Y103-F227 HydrophobicContact CE2-CB 4.06Å; Y103-F227 WeakPolarHBondContact OH-CA 3.33Å; F104-F227 HydrophobicContact CD2-CB 4.31Å; F104-F227 AromaticContact CD2-CD2 3.69Å; F104-F227 HydrophobicContact CD2-CD2 3.69Å; F104-F227 HydrophobicContact CD2-CE2 4.28Å; F104-F227 HydrophobicContact CD2-CG 4.09Å; F104-F227 HydrophobicContact CE2-CB 4.39Å; F104-F227 HydrophobicContact CE2-CD1 4.29Å; F104-F227 AromaticContact CE2-CD2 3.47Å; F104-F227 HydrophobicContact CE2-CD2 3.47Å; F104-F227 VanDerWaalsContact CE2-CD2 3.47Å; F104-F227 HydrophobicContact CE2-CE1 4.49Å; F104-F227 AromaticContact CE2-CE2 3.73Å; F104-F227 HydrophobicContact CE2-CE2 3.73Å; F104-F227 AromaticContact CE2-CG 3.78Å; F104-F227 HydrophobicContact CE2-CG 3.78Å; F104-F227 HydrophobicContact CE2-CZ 4.23Å; F104-F227 HydrophobicContact CZ-CE2 4.5Å; F128-F227 AromaticContact CE1-CE1 3.99Å; F128-F227 HydrophobicContact CE1-CE1 3.99Å; F128-F227 HydrophobicContact CE1-CZ 4.41Å; W130-F227 HydrophobicContact CH2-CE1 4.46Å; W130-F227 HydrophobicContact CZ2-CE1 4.01Å; W130-F227 HydrophobicContact CZ2-CZ 4.48Å; L209-F227 HydrophobicContact CD1-CD1 4.16Å; L209-F227 HydrophobicContact CD1-CE1 4.12Å; G223-F227 PolarHBondContact O-N 2.69Å; W224-F227 HydrophobicContact CE3-CD1 4Å; W224-F227 AromaticContact CZ3-CD1 3.98Å; W224-F227 HydrophobicContact CZ3-CD1 3.98Å; W224-F227 HydrophobicContact CZ3-CE1 4.42Å; W224-F227 PolarHBondContact O-N 3.07Å; E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 2.86Å; F227-D229 VanDerWaalsContact C-N 3.3Å; F227-D229 PolarHBondContact O-N 3.47Å; F227-A230 WeakPolarHBondContact O-CB 3.22Å; F227-A230 PolarHBondContact O-N 2.83Å; F227-A230 VanDerWaalsContact O-N 3.1Å; F227-V231 HydrophobicContact CE1-CG2 4.33Å; F227-V231 HydrophobicContact CZ-CG2 4.44Å; F227-V231 PolarHBondContact O-N 3.44Å; F227-V231 VanDerWaalsContact O-N 3.17Å
228	T	97.3	Very high	97.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.4	-24.9	180	58	0	0	0	0	112.2	L205 N206 A207 L209 W224 E225 V231 I232 K254	L205-T228 HydrophobicContact CD1-CG2 4.25Å; L205-T228 HydrophobicContact CD2-CG2 4.42Å; L205-T228 HydrophobicContact CG-CG2 4.42Å; N206-T228 WeakPolarHBondContact O-CG2 3.43Å; A207-T228 WeakPolarHBondContact O-CG2 3.45Å; A207-T228 PolarHBondContact O-OG1 3.3Å; L209-T228 HydrophobicContact CD1-CG2 4.21Å; L209-T228 HydrophobicContact CD2-CG2 4.16Å; L209-T228 HydrophobicContact CG-CG2 4.06Å; W224-T228 WeakPolarHBondContact O-CG2 3.41Å; W224-T228 PolarHBondContact O-N 3.05Å; W224-T228 PolarHBondContact O-OG1 3.29Å; W224-T228 VanDerWaalsContact O-OG1 3.05Å; E225-T228 PolarHBondContact O-N 3.47Å; E225-T228 PolarHBondContact O-OG1 3.12Å; T228-V231 WeakPolarHBondContact O-CB 3.27Å; T228-V231 PolarHBondContact O-N 2.88Å; T228-I232 WeakPolarHBondContact O-CG1 3.35Å; T228-I232 PolarHBondContact O-N 3.41Å; T228-K254 PolarHBondContact OG1-NZ 3.06Å
229	D	96.8	Very high	97	Very high	68 Å²	68	41.7 Å²	41.7	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-41.2	166.4	-75.2	-26.5	0	0	0	111.3	E225 F227 V231 I232 Q233 K254	E225-D229 WeakPolarHBondContact O-CB 3.35Å; E225-D229 PolarHBondContact O-N 3.35Å; E225-D229 VanDerWaalsContact O-OD2 3.14Å; F227-D229 VanDerWaalsContact C-N 3.3Å; F227-D229 PolarHBondContact O-N 3.47Å; D229-V231 VanDerWaalsContact C-N 3.3Å; D229-V231 PolarHBondContact O-N 3.3Å; D229-I232 PolarHBondContact O-N 3.07Å; D229-Q233 WeakPolarHBondContact O-CB 3.38Å; D229-Q233 PolarHBondContact O-N 3.31Å; D229-K254 IonicContact OD1-NZ 2.88Å; D229-K254 PolarHBondContact OD1-NZ 3.22Å; D229-K254 IonicContact OD2-NZ 3.58Å
230	A	97.4	Very high	97	Very high	19 Å²	19	48 Å²	48	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-37.2	175.1	0	0	0	0	0	112.1	E98 T226 F227 W234	E98-A230 HydrophobicContact CG-CB 3.73Å; T226-A230 PolarHBondContact O-N 3.46Å; T226-A230 VanDerWaalsContact O-N 3.14Å; F227-A230 WeakPolarHBondContact O-CB 3.22Å; F227-A230 PolarHBondContact O-N 2.83Å; F227-A230 VanDerWaalsContact O-N 3.1Å; A230-W234 WeakPolarHBondContact O-CB 3.41Å; A230-W234 PolarHBondContact O-N 3.42Å
231	V	97.4	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-52.2	173.6	179.1	0	0	0	0	111	W91 L95 W130 L203 L205 F227 T228 D229 Q233 W234 L235	W91-V231 HydrophobicContact CE3-CG1 4.39Å; W91-V231 HydrophobicContact CH2-CG1 4.38Å; W91-V231 HydrophobicContact CZ3-CG1 3.66Å; L95-V231 HydrophobicContact CD1-CG2 3.82Å; L95-V231 HydrophobicContact CD2-CG2 4.42Å; W130-V231 HydrophobicContact CH2-CG1 4.46Å; W130-V231 HydrophobicContact CH2-CG2 3.93Å; W130-V231 HydrophobicContact CZ3-CG1 4.28Å; L203-V231 HydrophobicContact CD2-CG1 4.35Å; L205-V231 HydrophobicContact CD2-CB 4.13Å; L205-V231 HydrophobicContact CD2-CG1 3.78Å; F227-V231 HydrophobicContact CE1-CG2 4.33Å; F227-V231 HydrophobicContact CZ-CG2 4.44Å; F227-V231 PolarHBondContact O-N 3.44Å; F227-V231 VanDerWaalsContact O-N 3.17Å; T228-V231 WeakPolarHBondContact O-CB 3.27Å; T228-V231 PolarHBondContact O-N 2.88Å; D229-V231 VanDerWaalsContact C-N 3.3Å; D229-V231 PolarHBondContact O-N 3.3Å; V231-Q233 PolarHBondContact O-N 3.27Å; V231-W234 PolarHBondContact O-N 3.22Å; V231-L235 HydrophobicContact CG1-CD1 4.45Å; V231-L235 WeakPolarHBondContact O-CG 3.41Å; V231-L235 PolarHBondContact O-N 2.77Å; V231-L235 VanDerWaalsContact O-N 3.12Å
232	I	96.4	Very high	97.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-41.4	-179.3	-66.6	165	0	0	0	110.9	L144 T228 D229 W234 L235 S236 F244 K254 I258	L144-I232 HydrophobicContact CD1-CD1 3.57Å; L144-I232 HydrophobicContact CD2-CD1 3.87Å; L144-I232 HydrophobicContact CD2-CG1 4.35Å; L144-I232 HydrophobicContact CG-CD1 4.4Å; T228-I232 WeakPolarHBondContact O-CG1 3.35Å; T228-I232 PolarHBondContact O-N 3.41Å; D229-I232 PolarHBondContact O-N 3.07Å; I232-W234 VanDerWaalsContact C-N 3.35Å; I232-L235 PolarHBondContact O-N 2.82Å; I232-S236 WeakPolarHBondContact O-CB 3.46Å; I232-S236 PolarHBondContact O-N 3.04Å; I232-F244 HydrophobicContact CG2-CE1 4.16Å; I232-K254 HydrophobicContact CD1-CD 3.57Å; I232-K254 HydrophobicContact CD1-CG 3.49Å; I232-K254 VanDerWaalsContact CD1-CG 3.49Å; I232-I258 HydrophobicContact CG2-CD1 4.45Å; I232-I258 HydrophobicContact CG2-CG1 4.04Å
233	Q	96.1	Very high	97.2	Very high	88 Å²	88	30 Å²	30	41%	0.411	16%	0.163	S	C	.	.	H	α-helix	trans	-63.1	-42.3	177.8	-175.5	61.3	55.8	0	0	111.3	D229 V231 L235 S236 S237	D229-Q233 WeakPolarHBondContact O-CB 3.38Å; D229-Q233 PolarHBondContact O-N 3.31Å; V231-Q233 PolarHBondContact O-N 3.27Å; Q233-L235 VanDerWaalsContact C-N 3.34Å; Q233-L235 PolarHBondContact O-N 3.35Å; Q233-S236 PolarHBondContact O-N 3.1Å; Q233-S237 PolarHBondContact NE2-OG 3.42Å; Q233-S237 WeakPolarHBondContact O-CB 3.2Å; Q233-S237 PolarHBondContact O-N 3.35Å; Q233-S237 PolarHBondContact O-OG 3.17Å
234	W	97.1	Very high	97.2	Very high	35 Å²	35	29.6 Å²	29.6	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-46.7	176.2	-172.7	101.1	0	0	0	110.6	E94 I136 A230 V231 I232 S236 S237 N238 Q239	E94-W234 HydrophobicContact CB-CZ2 4.14Å; E94-W234 HydrophobicContact CG-CZ2 3.61Å; E94-W234 PolarHBondContact OE2-NE1 3.45Å; I136-W234 HydrophobicContact CD1-CD2 3.7Å; I136-W234 HydrophobicContact CD1-CE3 3.43Å; I136-W234 VanDerWaalsContact CD1-CE3 3.43Å; I136-W234 HydrophobicContact CD1-CH2 3.67Å; I136-W234 HydrophobicContact CD1-CZ2 3.89Å; I136-W234 HydrophobicContact CD1-CZ3 3.46Å; I136-W234 VanDerWaalsContact CD1-CZ3 3.46Å; I136-W234 HydrophobicContact CG1-CD2 4.48Å; I136-W234 HydrophobicContact CG1-CE3 3.74Å; I136-W234 HydrophobicContact CG1-CH2 3.72Å; I136-W234 HydrophobicContact CG1-CZ2 4.43Å; I136-W234 HydrophobicContact CG1-CZ3 3.34Å; I136-W234 HydrophobicContact CG2-CH2 4.12Å; A230-W234 WeakPolarHBondContact O-CB 3.41Å; A230-W234 PolarHBondContact O-N 3.42Å; V231-W234 PolarHBondContact O-N 3.22Å; I232-W234 VanDerWaalsContact C-N 3.35Å; W234-S236 PolarHBondContact O-N 3.38Å; W234-S237 PolarHBondContact O-N 3.1Å; W234-N238 HydrophobicContact CD2-CB 4.1Å; W234-N238 HydrophobicContact CE3-CB 4.16Å; W234-N238 HydrophobicContact CH2-CB 3.94Å; W234-N238 HydrophobicContact CZ2-CB 3.89Å; W234-N238 HydrophobicContact CZ3-CB 4.04Å; W234-N238 WeakPolarHBondContact O-CB 3.17Å; W234-N238 PolarHBondContact O-N 3.14Å; W234-N238 PolarHBondContact O-ND2 3.14Å; W234-Q239 HydrophobicContact CZ3-CG 4.04Å
235	L	97.3	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-44.8	176.9	-68.5	168.1	0	0	0	111.5	W91 I136 V139 V142 L203 V231 I232 Q233 S237 N238 Q239 F244	W91-L235 HydrophobicContact CH2-CD1 4.3Å; W91-L235 HydrophobicContact CH2-CD2 4.22Å; I136-L235 HydrophobicContact CG1-CD2 4.49Å; V139-L235 HydrophobicContact CB-CD2 4.03Å; V139-L235 HydrophobicContact CG1-CD1 4.35Å; V139-L235 HydrophobicContact CG1-CD2 4.14Å; V139-L235 HydrophobicContact CG2-CD2 4.07Å; V142-L235 HydrophobicContact CG2-CD1 3.99Å; L203-L235 HydrophobicContact CD2-CD1 3.55Å; V231-L235 HydrophobicContact CG1-CD1 4.45Å; V231-L235 WeakPolarHBondContact O-CG 3.41Å; V231-L235 PolarHBondContact O-N 2.77Å; V231-L235 VanDerWaalsContact O-N 3.12Å; I232-L235 PolarHBondContact O-N 2.82Å; Q233-L235 VanDerWaalsContact C-N 3.34Å; Q233-L235 PolarHBondContact O-N 3.35Å; L235-S237 PolarHBondContact O-N 2.85Å; L235-N238 PolarHBondContact O-N 2.81Å; L235-Q239 HydrophobicContact CD2-CG 3.98Å; L235-Q239 WeakPolarHBondContact O-CB 3.34Å; L235-Q239 PolarHBondContact O-N 2.58Å; L235-F244 HydrophobicContact CB-CZ 4.43Å
236	S	96.1	Very high	97.3	Very high	5 Å²	5	28.5 Å²	28.5	4%	0.035	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-24.1	179.9	-170.8	0	0	0	0	113.4	I232 Q233 W234 N259 R262 H263	I232-S236 WeakPolarHBondContact O-CB 3.46Å; I232-S236 PolarHBondContact O-N 3.04Å; Q233-S236 PolarHBondContact O-N 3.1Å; W234-S236 PolarHBondContact O-N 3.38Å; S236-N259 PolarHBondContact OG-N 3.49Å; S236-N259 VanDerWaalsContact OG-N 3.16Å; S236-R262 PolarHBondContact O-NH1 2.81Å; S236-H263 VanDerWaalsContact CA-NE2 3.3Å; S236-H263 WeakPolarHBondContact CA-NE2 3.4Å; S236-H263 PolarHBondContact O-NE2 2.95Å
237	S	95.8	Very high	97.3	Very high	56 Å²	56	25.4 Å²	25.4	39%	0.392	13%	0.134	S	C	.	.	H	α-helix	trans	-91.4	-34.8	179.2	-69.7	0	0	0	0	112.7	Q233 W234 L235 R262	Q233-S237 PolarHBondContact NE2-OG 3.42Å; Q233-S237 WeakPolarHBondContact O-CB 3.2Å; Q233-S237 PolarHBondContact O-N 3.35Å; Q233-S237 PolarHBondContact O-OG 3.17Å; W234-S237 PolarHBondContact O-N 3.1Å; L235-S237 PolarHBondContact O-N 2.85Å; S237-R262 PolarHBondContact O-NH1 3Å; S237-R262 PolarHBondContact O-NH2 2.62Å
238	N	96.6	Very high	97.2	Very high	88 Å²	88	25.9 Å²	25.9	47%	0.471	14%	0.139	S	C	.	.	H	α-helix	trans	-112.4	-13.7	-167.3	-61.8	-80.9	0	0	0	114.6	W234 L235	W234-N238 HydrophobicContact CD2-CB 4.1Å; W234-N238 HydrophobicContact CE3-CB 4.16Å; W234-N238 HydrophobicContact CH2-CB 3.94Å; W234-N238 HydrophobicContact CZ2-CB 3.89Å; W234-N238 HydrophobicContact CZ3-CB 4.04Å; W234-N238 WeakPolarHBondContact O-CB 3.17Å; W234-N238 PolarHBondContact O-N 3.14Å; W234-N238 PolarHBondContact O-ND2 3.14Å; L235-N238 PolarHBondContact O-N 2.81Å
239	Q	96.6	Very high	96.9	Very high	32 Å²	32	29.9 Å²	29.9	15%	0.15	17%	0.167	C	C	.	.			trans	-108.2	169.8	175.4	-62.3	-62.8	-34.3	0	0	110.7	W234 L235 V242 R262 H263	W234-Q239 HydrophobicContact CZ3-CG 4.04Å; L235-Q239 HydrophobicContact CD2-CG 3.98Å; L235-Q239 WeakPolarHBondContact O-CB 3.34Å; L235-Q239 PolarHBondContact O-N 2.58Å; Q239-V242 HydrophobicContact CB-CG2 3.64Å; Q239-R262 PolarHBondContact O-NH2 2.84Å; Q239-H263 PolarHBondContact O-CE1 2.63Å
240	E	96.8	Very high	96.7	Very high	131 Å²	131	29.9 Å²	29.9	61%	0.612	16%	0.162	S	C	*	.	S	Bend	trans	-137.4	150.2	176.8	-63	-166.8	162.2	0	0	110.3	V242 R262 K298	E240-V242 PolarHBondContact O-N 3.47Å; E240-R262 IonicContact OE1-NH2 2.8Å; E240-R262 PolarHBondContact OE1-NH2 2.88Å; E240-K298 WeakPolarHBondContact O-CE 3.45Å; E240-K298 PolarHBondContact O-NZ 3.47Å
241	G	97.8	Very high	96.5	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	16%	0.156	C	C	.	.	S	Bend	trans	58.5	34.4	176.6	0	0	0	0	0	113.4	R262 K298	G241-R262 PolarHBondContact N-O 3.01Å; G241-K298 VanDerWaalsContact C-NZ 3.34Å; G241-K298 PolarHBondContact O-NZ 2.85Å
242	V	98.6	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.			trans	-83.9	137.7	173.8	-179.8	0	0	0	0	108.5	V139 K140 V142 Q239 E240 F244 H263 H264	V139-V242 HydrophobicContact CG1-CG1 4.3Å; K140-V242 WeakPolarHBondContact O-CA 3.2Å; V142-V242 HydrophobicContact CG2-CG1 3.8Å; Q239-V242 HydrophobicContact CB-CG2 3.64Å; E240-V242 PolarHBondContact O-N 3.47Å; V242-F244 HydrophobicContact CB-CD2 4.39Å; V242-F244 HydrophobicContact CB-CE2 3.83Å; V242-F244 HydrophobicContact CB-CZ 4.4Å; V242-F244 HydrophobicContact CG1-CD2 4.12Å; V242-F244 HydrophobicContact CG1-CE2 3.73Å; V242-F244 HydrophobicContact CG1-CZ 4.01Å; V242-H263 PolarHBondContact N-ND1 2.82Å; V242-H263 WeakPolarHBondContact O-CB 3.46Å; V242-H264 PolarHBondContact O-N 2.92Å
243	V	98.8	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.9	176.2	-174.4	0	0	0	0	109.8	K140 V141 V142 H264 L266 A289 L292 L293	K140-V243 PolarHBondContact O-N 3.45Å; V141-V243 CarbonylContact C-O 3.59Å; V141-V243 VanDerWaalsContact CA-O 3.26Å; V141-V243 WeakPolarHBondContact CA-O 3.26Å; V141-V243 WeakPolarHBondContact CG1-O 3.35Å; V141-V243 HydrophobicContact CG2-CB 4.4Å; V142-V243 PolarHBondContact N-O 3.31Å; V243-H264 HydrophobicContact CG2-CB 4.31Å; V243-L266 HydrophobicContact CG1-CD1 3.89Å; V243-L266 HydrophobicContact CG1-CG 4.17Å; V243-A289 HydrophobicContact CB-CB 4.47Å; V243-A289 HydrophobicContact CG1-CB 3.9Å; V243-L292 HydrophobicContact CG1-CD1 4.23Å; V243-L292 HydrophobicContact CG2-CB 3.85Å; V243-L292 HydrophobicContact CG2-CD1 4.42Å; V243-L293 HydrophobicContact CG2-CD2 4.02Å; V243-L293 HydrophobicContact CG2-CG 4.1Å
244	F	98.6	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.4	176.7	-67.6	-97.4	0	0	0	110.5	V142 I232 L235 V242 L246 I258 H263 H264 V265 L266	V142-F244 HydrophobicContact CB-CD1 3.6Å; V142-F244 HydrophobicContact CB-CE1 3.9Å; V142-F244 HydrophobicContact CB-CG 4.31Å; V142-F244 HydrophobicContact CG1-CD1 3.94Å; V142-F244 HydrophobicContact CG1-CE1 4.15Å; V142-F244 HydrophobicContact CG2-CD1 3.93Å; V142-F244 HydrophobicContact CG2-CE1 3.71Å; V142-F244 HydrophobicContact CG2-CZ 4.29Å; I232-F244 HydrophobicContact CG2-CE1 4.16Å; L235-F244 HydrophobicContact CB-CZ 4.43Å; V242-F244 HydrophobicContact CB-CD2 4.39Å; V242-F244 HydrophobicContact CB-CE2 3.83Å; V242-F244 HydrophobicContact CB-CZ 4.4Å; V242-F244 HydrophobicContact CG1-CD2 4.12Å; V242-F244 HydrophobicContact CG1-CE2 3.73Å; V242-F244 HydrophobicContact CG1-CZ 4.01Å; F244-L246 HydrophobicContact CB-CD2 4.21Å; F244-L246 HydrophobicContact CB-CG 4.46Å; F244-I258 HydrophobicContact CB-CD1 3.85Å; F244-I258 HydrophobicContact CD1-CD1 3.43Å; F244-I258 VanDerWaalsContact CD1-CD1 3.43Å; F244-I258 HydrophobicContact CD1-CG1 4.29Å; F244-I258 HydrophobicContact CD2-CD1 4.01Å; F244-I258 HydrophobicContact CD2-CG2 3.81Å; F244-I258 HydrophobicContact CE1-CD1 3.89Å; F244-I258 HydrophobicContact CE1-CG1 4.27Å; F244-I258 HydrophobicContact CE2-CD1 4.4Å; F244-I258 HydrophobicContact CE2-CG2 3.77Å; F244-I258 HydrophobicContact CG-CD1 3.5Å; F244-I258 HydrophobicContact CG-CG1 4.44Å; F244-I258 HydrophobicContact CG-CG2 4.42Å; F244-I258 HydrophobicContact CZ-CD1 4.35Å; F244-I258 HydrophobicContact CZ-CG1 4.39Å; F244-I258 HydrophobicContact CZ-CG2 4.36Å; F244-H263 HydrophobicContact CD2-CB 3.98Å; F244-H263 HydrophobicContact CE2-CB 3.76Å; F244-H263 AromaticContact CE2-CG 3.75Å; F244-H263 AromaticContact CE2-ND1 3.9Å; F244-H264 PolarHBondContact N-O 3.17Å; F244-V265 HydrophobicContact CB-CG2 4.42Å; F244-V265 WeakPolarHBondContact O-CA 3.19Å; F244-L266 PolarHBondContact O-N 2.87Å
245	M	98.6	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.9	174	-63.6	-174.9	179.6	0	0	109.8	V141 V142 I143 L144 W247 H285 A289 W303	V141-M245 HydrophobicContact CG1-CE 4.01Å; V141-M245 HydrophobicContact CG1-CG 4.24Å; V141-M245 HydrophobicContact CG1-SD 4.22Å; V142-M245 PolarHBondContact O-N 3.33Å; I143-M245 HydrophobicContact CD1-SD 4.11Å; I143-M245 HydrophobicContact CG1-CB 4.15Å; I143-M245 HydrophobicContact CG1-CG 4.45Å; I143-M245 HydrophobicContact CG1-SD 3.94Å; L144-M245 PolarHBondContact N-O 3.01Å; M245-W247 HydrophobicContact CB-CZ2 4.12Å; M245-W247 HydrophobicContact CG-CZ2 4.43Å; M245-W247 HydrophobicContact SD-CH2 4.15Å; M245-W247 HydrophobicContact SD-CZ2 3.53Å; M245-W247 VanDerWaalsContact SD-CZ2 3.53Å; M245-H285 HydrophobicContact CE-CB 4.21Å; M245-H285 WeakPolarHBondContact CE-O 3.46Å; M245-H285 HydrophobicContact SD-CB 4.26Å; M245-A289 HydrophobicContact CE-CB 3.25Å; M245-W303 HydrophobicContact CE-CH2 4.18Å; M245-W303 HydrophobicContact CE-CZ2 4.07Å
246	L	97.7	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	93.5	-174.8	-50.6	-176.6	0	0	0	110.1	L144 F244 A251 Q252 I258 V265 L266 Q267 T268	L144-L246 HydrophobicContact CD1-CD2 3.66Å; L144-L246 HydrophobicContact CG-CD2 4.17Å; F244-L246 HydrophobicContact CB-CD2 4.21Å; F244-L246 HydrophobicContact CB-CG 4.46Å; L246-A251 HydrophobicContact CB-CB 4.21Å; L246-Q252 HydrophobicContact CB-CG 4.07Å; L246-I258 HydrophobicContact CD1-CD1 4.35Å; L246-I258 HydrophobicContact CD2-CD1 4.47Å; L246-V265 HydrophobicContact CD1-CG1 3.45Å; L246-V265 VanDerWaalsContact CD1-CG1 3.45Å; L246-V265 HydrophobicContact CG-CG1 3.97Å; L246-L266 PolarHBondContact N-O 3.05Å; L246-Q267 HydrophobicContact CB-CG 4.26Å; L246-Q267 HydrophobicContact CD1-CG 4.38Å; L246-Q267 WeakPolarHBondContact O-CA 3.2Å; L246-T268 PolarHBondContact O-N 3.37Å
247	W	97.8	Very high	95	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.2	-176.4	-58.1	-31.4	0	0	0	112	I143 F160 M175 M245 T268 P271 F280 H285 F286	I143-W247 HydrophobicContact CD1-CH2 3.94Å; I143-W247 HydrophobicContact CD1-CZ3 4.36Å; I143-W247 HydrophobicContact CG1-CH2 4.44Å; I143-W247 HydrophobicContact CG2-CE3 3.81Å; I143-W247 HydrophobicContact CG2-CH2 4.01Å; I143-W247 HydrophobicContact CG2-CZ3 3.48Å; I143-W247 VanDerWaalsContact CG2-CZ3 3.48Å; F160-W247 HydrophobicContact CD2-CZ3 4.44Å; F160-W247 AromaticContact CE2-CE3 3.97Å; F160-W247 HydrophobicContact CE2-CE3 3.97Å; F160-W247 HydrophobicContact CE2-CZ3 4.15Å; F160-W247 HydrophobicContact CZ-CE3 4.13Å; M175-W247 HydrophobicContact CE-CH2 4.08Å; M175-W247 HydrophobicContact CE-CZ3 3.82Å; M175-W247 HydrophobicContact CG-CZ3 4.28Å; M175-W247 HydrophobicContact SD-CZ3 3.96Å; M245-W247 HydrophobicContact CB-CZ2 4.12Å; M245-W247 HydrophobicContact CG-CZ2 4.43Å; M245-W247 HydrophobicContact SD-CH2 4.15Å; M245-W247 HydrophobicContact SD-CZ2 3.53Å; M245-W247 VanDerWaalsContact SD-CZ2 3.53Å; W247-T268 WeakPolarHBondContact CA-O 3.34Å; W247-T268 VanDerWaalsContact CD1-CG2 3.46Å; W247-T268 HydrophobicContact CG-CG2 4.4Å; W247-P271 HydrophobicContact CE3-CG 4.34Å; W247-F280 HydrophobicContact CD2-CD2 4.5Å; W247-F280 AromaticContact CD2-CE2 3.82Å; W247-F280 HydrophobicContact CD2-CE2 3.82Å; W247-F280 AromaticContact CE2-CE2 3.78Å; W247-F280 HydrophobicContact CE3-CE2 4.14Å; W247-F280 HydrophobicContact CG-CD2 4.43Å; W247-F280 HydrophobicContact CG-CE2 4.21Å; W247-F280 HydrophobicContact CH2-CE2 4.4Å; W247-F280 HydrophobicContact CZ2-CE2 4.08Å; W247-F280 HydrophobicContact CZ3-CE2 4.41Å; W247-H285 AromaticContact CD1-CE1 3.91Å; W247-H285 AromaticContact CD1-ND1 3.72Å; W247-H285 AromaticContact NE1-CE1 3.61Å; W247-H285 AromaticContact NE1-CG 3.87Å; W247-H285 AromaticContact NE1-ND1 2.98Å; W247-H285 PolarHBondContact NE1-ND1 3.12Å; W247-F286 HydrophobicContact CH2-CE1 4.22Å; W247-F286 HydrophobicContact CH2-CZ 4.02Å; W247-F286 HydrophobicContact CZ2-CZ 4.29Å
248	G	95.4	Very high	95	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	22%	0.218	C	C	.	.	S	Bend	trans	90.3	163.2	-177.7	0	0	0	0	0	114	Y250 A251 Q252 T268	G248-Y250 VanDerWaalsContact C-N 3.28Å; G248-Y250 PolarHBondContact O-N 3.08Å; G248-A251 PolarHBondContact O-N 2.63Å; G248-Q252 WeakPolarHBondContact O-CG 3.32Å; G248-Q252 PolarHBondContact O-N 2.94Å; G248-T268 PolarHBondContact N-O 3.17Å
249	S	92.4	Very high	94.9	Very high	83 Å²	83	38.4 Å²	38.4	58%	0.58	21%	0.212	S	C	*	.	H	α-helix	trans	-61.1	-34.3	-171.4	57.5	0	0	0	0	113.4	K253	S249-K253 VanDerWaalsContact O-CG 3.29Å; S249-K253 WeakPolarHBondContact O-CG 3.24Å; S249-K253 PolarHBondContact O-N 2.87Å
250	Y	90.8	Very high	94.8	Very high	69 Å²	69	44 Å²	44	27%	0.271	23%	0.232	S	C	.	.	H	α-helix	trans	-64.8	-53.1	178.8	-167.3	-72.5	0	0	0	111.2	Q146 A207 E225 G248 Q252 K253 K254	Q146-Y250 HydrophobicContact CG-CD1 4.41Å; Q146-Y250 HydrophobicContact CG-CD2 4.16Å; Q146-Y250 HydrophobicContact CG-CE2 4.47Å; Q146-Y250 HydrophobicContact CG-CG 4.11Å; A207-Y250 HydrophobicContact CB-CD1 4.1Å; A207-Y250 HydrophobicContact CB-CE1 3.21Å; E225-Y250 WeakPolarHBondContact CG-OH 3.4Å; G248-Y250 VanDerWaalsContact C-N 3.28Å; G248-Y250 PolarHBondContact O-N 3.08Å; Y250-Q252 VanDerWaalsContact C-N 3.27Å; Y250-Q252 PolarHBondContact O-N 2.81Å; Y250-K253 PolarHBondContact O-N 3.25Å; Y250-K254 PolarHBondContact O-N 3.32Å
251	A	93.6	Very high	94.7	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-39.3	177.8	0	0	0	0	0	111.6	L144 L246 G248 K254 G255	L144-A251 HydrophobicContact CB-CB 3.99Å; L246-A251 HydrophobicContact CB-CB 4.21Å; G248-A251 PolarHBondContact O-N 2.63Å; A251-K254 PolarHBondContact O-N 2.92Å; A251-G255 PolarHBondContact O-N 3.35Å
252	Q	95.1	Very high	94.7	Very high	62 Å²	62	50.9 Å²	50.9	29%	0.29	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-40.6	177.5	-67.8	169.7	10.9	0	0	112.8	L246 G248 Y250 G255 A256 Q267 T268	L246-Q252 HydrophobicContact CB-CG 4.07Å; G248-Q252 WeakPolarHBondContact O-CG 3.32Å; G248-Q252 PolarHBondContact O-N 2.94Å; Y250-Q252 VanDerWaalsContact C-N 3.27Å; Y250-Q252 PolarHBondContact O-N 2.81Å; Q252-G255 PolarHBondContact O-N 3.5Å; Q252-A256 PolarHBondContact O-N 3.06Å; Q252-Q267 HydrophobicContact CG-CB 4.32Å; Q252-T268 PolarHBondContact NE2-O 2.83Å
253	K	93	Very high	94.7	Very high	164 Å²	164	51 Å²	51	71%	0.713	26%	0.257	S	S	*	.	H	α-helix	trans	-64.2	-46	174.6	-74.8	174.2	-177.9	-175.9	0	111.5	S249 Y250 G255 A256	S249-K253 VanDerWaalsContact O-CG 3.29Å; S249-K253 WeakPolarHBondContact O-CG 3.24Å; S249-K253 PolarHBondContact O-N 2.87Å; Y250-K253 PolarHBondContact O-N 3.25Å; K253-G255 VanDerWaalsContact C-N 3.31Å; K253-G255 PolarHBondContact O-N 2.92Å; K253-A256 WeakPolarHBondContact O-CB 3.39Å; K253-A256 PolarHBondContact O-N 3.39Å
254	K	90.4	Very high	94.7	Very high	16 Å²	16	53.6 Å²	53.6	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-37	178.4	178.7	166.5	-82.3	-76.6	0	112.2	L144 A207 E225 T228 D229 I232 Y250 A251 A256	L144-K254 HydrophobicContact CD1-CD 4.25Å; L144-K254 HydrophobicContact CD1-CG 4.16Å; A207-K254 HydrophobicContact CB-CD 3.96Å; A207-K254 VanDerWaalsContact CB-CE 3.4Å; E225-K254 PolarHBondContact O-NZ 2.95Å; T228-K254 PolarHBondContact OG1-NZ 3.06Å; D229-K254 IonicContact OD1-NZ 2.88Å; D229-K254 PolarHBondContact OD1-NZ 3.22Å; D229-K254 IonicContact OD2-NZ 3.58Å; I232-K254 HydrophobicContact CD1-CD 3.57Å; I232-K254 HydrophobicContact CD1-CG 3.49Å; I232-K254 VanDerWaalsContact CD1-CG 3.49Å; Y250-K254 PolarHBondContact O-N 3.32Å; A251-K254 PolarHBondContact O-N 2.92Å; K254-A256 VanDerWaalsContact C-N 3.28Å; K254-A256 PolarHBondContact O-N 3.21Å
255	G	91.1	Very high	94.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.01	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-81.4	6.9	176	0	0	0	0	0	115.6	A251 Q252 K253 S257 I258	A251-G255 PolarHBondContact O-N 3.35Å; Q252-G255 PolarHBondContact O-N 3.5Å; K253-G255 VanDerWaalsContact C-N 3.31Å; K253-G255 PolarHBondContact O-N 2.92Å; G255-S257 PolarHBondContact O-N 3.43Å; G255-I258 VanDerWaalsContact CA-CD1 3.46Å; G255-I258 WeakPolarHBondContact O-CB 3.47Å; G255-I258 WeakPolarHBondContact O-CD1 3.17Å; G255-I258 WeakPolarHBondContact O-CG1 3.32Å; G255-I258 PolarHBondContact O-N 3.38Å
256	A	91.4	Very high	94.7	Very high	78 Å²	78	56.2 Å²	56.2	65%	0.645	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.1	-26.5	-177.7	0	0	0	0	0	113.4	Q252 K253 K254	Q252-A256 PolarHBondContact O-N 3.06Å; K253-A256 WeakPolarHBondContact O-CB 3.39Å; K253-A256 PolarHBondContact O-N 3.39Å; K254-A256 VanDerWaalsContact C-N 3.28Å; K254-A256 PolarHBondContact O-N 3.21Å
257	S	88.8	Confident	94.7	Very high	72 Å²	72	60 Å²	60	50%	0.503	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-84.7	-5	179.4	56.4	0	0	0	0	114.4	G255 N259	G255-S257 PolarHBondContact O-N 3.43Å; S257-N259 PolarHBondContact O-N 3Å
258	I	94.7	Very high	94.7	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-66	130.6	-177.6	-63.8	162.8	0	0	0	110.1	I232 F244 L246 G255 R260 H263 V265	I232-I258 HydrophobicContact CG2-CD1 4.45Å; I232-I258 HydrophobicContact CG2-CG1 4.04Å; F244-I258 HydrophobicContact CB-CD1 3.85Å; F244-I258 HydrophobicContact CD1-CD1 3.43Å; F244-I258 VanDerWaalsContact CD1-CD1 3.43Å; F244-I258 HydrophobicContact CD1-CG1 4.29Å; F244-I258 HydrophobicContact CD2-CD1 4.01Å; F244-I258 HydrophobicContact CD2-CG2 3.81Å; F244-I258 HydrophobicContact CE1-CD1 3.89Å; F244-I258 HydrophobicContact CE1-CG1 4.27Å; F244-I258 HydrophobicContact CE2-CD1 4.4Å; F244-I258 HydrophobicContact CE2-CG2 3.77Å; F244-I258 HydrophobicContact CG-CD1 3.5Å; F244-I258 HydrophobicContact CG-CG1 4.44Å; F244-I258 HydrophobicContact CG-CG2 4.42Å; F244-I258 HydrophobicContact CZ-CD1 4.35Å; F244-I258 HydrophobicContact CZ-CG1 4.39Å; F244-I258 HydrophobicContact CZ-CG2 4.36Å; L246-I258 HydrophobicContact CD1-CD1 4.35Å; L246-I258 HydrophobicContact CD2-CD1 4.47Å; G255-I258 VanDerWaalsContact CA-CD1 3.46Å; G255-I258 WeakPolarHBondContact O-CB 3.47Å; G255-I258 WeakPolarHBondContact O-CD1 3.17Å; G255-I258 WeakPolarHBondContact O-CG1 3.32Å; G255-I258 PolarHBondContact O-N 3.38Å; I258-R260 PolarHBondContact O-N 3.33Å; I258-H263 HydrophobicContact CG2-CB 3.92Å; I258-V265 HydrophobicContact CB-CG2 4.35Å; I258-V265 HydrophobicContact CD1-CG2 4.48Å; I258-V265 HydrophobicContact CG2-CG2 3.92Å
259	N	94.4	Very high	94.8	Very high	66 Å²	66	62 Å²	62	35%	0.353	31%	0.312	S	S	.	.			trans	-71.9	95.6	176.3	-174	-17.9	0	0	0	111.5	S236 S257 K261 R262 H263	S236-N259 PolarHBondContact OG-N 3.49Å; S236-N259 VanDerWaalsContact OG-N 3.16Å; S257-N259 PolarHBondContact O-N 3Å; N259-K261 PolarHBondContact O-N 2.79Å; N259-K261 VanDerWaalsContact O-N 3.12Å; N259-K261 WeakPolarHBondContact OD1-CB 3.32Å; N259-K261 PolarHBondContact OD1-N 2.9Å; N259-R262 HydrophobicContact CB-CB 4.37Å; N259-R262 HydrophobicContact CB-CG 4.47Å; N259-R262 WeakPolarHBondContact ND2-CD 3.36Å; N259-R262 PolarHBondContact O-N 3.46Å; N259-H263 PolarHBondContact O-CD2 2.92Å; N259-H263 PolarHBondContact O-N 2.93Å
260	R	95.8	Very high	95	Very high	150 Å²	150	60.3 Å²	60.3	57%	0.566	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-10	-179.3	-61.6	-174.3	179.2	-159.7	-7	115.2	I258 H263 V265	I258-R260 PolarHBondContact O-N 3.33Å; R260-H263 CarbonylContact C-O 3.59Å; R260-H263 WeakPolarHBondContact CA-O 3.37Å; R260-H263 VanDerWaalsContact O-O 3.12Å; R260-V265 HydrophobicContact CG-CG2 4.03Å
261	K	94.9	Very high	95.3	Very high	206 Å²	206	57 Å²	57	90%	0.896	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-24.7	170.9	-64	-175	177.1	-177.8	0	112.1	N259	N259-K261 PolarHBondContact O-N 2.79Å; N259-K261 VanDerWaalsContact O-N 3.12Å; N259-K261 WeakPolarHBondContact OD1-CB 3.32Å; N259-K261 PolarHBondContact OD1-N 2.9Å
262	R	97	Very high	95.4	Very high	76 Å²	76	58 Å²	58	29%	0.287	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-23.6	-179	-65.9	-176.8	70.9	-163.9	11.7	113.3	S236 S237 Q239 E240 G241 N259	S236-R262 PolarHBondContact O-NH1 2.81Å; S237-R262 PolarHBondContact O-NH1 3Å; S237-R262 PolarHBondContact O-NH2 2.62Å; Q239-R262 PolarHBondContact O-NH2 2.84Å; E240-R262 IonicContact OE1-NH2 2.8Å; E240-R262 PolarHBondContact OE1-NH2 2.88Å; G241-R262 PolarHBondContact N-O 3.01Å; N259-R262 HydrophobicContact CB-CB 4.37Å; N259-R262 HydrophobicContact CB-CG 4.47Å; N259-R262 WeakPolarHBondContact ND2-CD 3.36Å; N259-R262 PolarHBondContact O-N 3.46Å
263	H	98.4	Very high	95.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	30%	0.296	C	S	.	.	S	Bend	trans	-134.1	161.8	-172.5	-54.5	-77	0	0	0	111.1	S236 Q239 V242 F244 I258 N259 R260	S236-H263 VanDerWaalsContact CA-NE2 3.3Å; S236-H263 WeakPolarHBondContact CA-NE2 3.4Å; S236-H263 PolarHBondContact O-NE2 2.95Å; Q239-H263 PolarHBondContact O-CE1 2.63Å; V242-H263 PolarHBondContact N-ND1 2.82Å; V242-H263 WeakPolarHBondContact O-CB 3.46Å; F244-H263 HydrophobicContact CD2-CB 3.98Å; F244-H263 HydrophobicContact CE2-CB 3.76Å; F244-H263 AromaticContact CE2-CG 3.75Å; F244-H263 AromaticContact CE2-ND1 3.9Å; I258-H263 HydrophobicContact CG2-CB 3.92Å; N259-H263 PolarHBondContact O-CD2 2.92Å; N259-H263 PolarHBondContact O-N 2.93Å; R260-H263 CarbonylContact C-O 3.59Å; R260-H263 WeakPolarHBondContact CA-O 3.37Å; R260-H263 VanDerWaalsContact O-O 3.12Å
264	H	98.5	Very high	95.4	Very high	55 Å²	55	57.7 Å²	57.7	26%	0.255	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.4	175.9	-52.6	-67.7	0	0	0	110.1	V242 V243 F244 L292 C296	V242-H264 PolarHBondContact O-N 2.92Å; V243-H264 HydrophobicContact CG2-CB 4.31Å; F244-H264 PolarHBondContact N-O 3.17Å; H264-L292 HydrophobicContact CB-CD1 3.74Å; H264-L292 HydrophobicContact CB-CD2 4.35Å; H264-L292 HydrophobicContact CB-CG 4.46Å; H264-C296 PolarHBondContact NE2-SG 3.17Å
265	V	98.4	Very high	95.7	Very high	31 Å²	31	57.6 Å²	57.6	19%	0.188	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.7	-179.8	-177.4	0	0	0	0	108.6	F244 L246 I258 R260 Q267	F244-V265 HydrophobicContact CB-CG2 4.42Å; F244-V265 WeakPolarHBondContact O-CA 3.19Å; L246-V265 HydrophobicContact CD1-CG1 3.45Å; L246-V265 VanDerWaalsContact CD1-CG1 3.45Å; L246-V265 HydrophobicContact CG-CG1 3.97Å; I258-V265 HydrophobicContact CB-CG2 4.35Å; I258-V265 HydrophobicContact CD1-CG2 4.48Å; I258-V265 HydrophobicContact CG2-CG2 3.92Å; R260-V265 HydrophobicContact CG-CG2 4.03Å; V265-Q267 HydrophobicContact CG1-CG 3.64Å
266	L	98.6	Very high	95.9	Very high	24 Å²	24	57.5 Å²	57.5	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.7	173.9	-60.6	178.5	0	0	0	108.4	V243 F244 L246 H285 K288 A289 L292	V243-L266 HydrophobicContact CG1-CD1 3.89Å; V243-L266 HydrophobicContact CG1-CG 4.17Å; F244-L266 PolarHBondContact O-N 2.87Å; L246-L266 PolarHBondContact N-O 3.05Å; L266-H285 VanDerWaalsContact CB-CE1 3.45Å; L266-H285 WeakPolarHBondContact CB-CE1 3.39Å; L266-H285 HydrophobicContact CD1-CB 4.22Å; L266-K288 HydrophobicContact CD1-CB 4.02Å; L266-K288 HydrophobicContact CD2-CB 4.45Å; L266-A289 HydrophobicContact CD1-CB 4.31Å; L266-L292 HydrophobicContact CD1-CD1 4.29Å; L266-L292 HydrophobicContact CD2-CD1 4.01Å; L266-L292 HydrophobicContact CG-CD1 4.25Å
267	Q	98.3	Very high	96.2	Very high	78 Å²	78	61.4 Å²	61.4	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	-174.9	-49.5	-172	-86.2	0	0	110.4	L246 Q252 V265 H285	L246-Q267 HydrophobicContact CB-CG 4.26Å; L246-Q267 HydrophobicContact CD1-CG 4.38Å; L246-Q267 WeakPolarHBondContact O-CA 3.2Å; Q252-Q267 HydrophobicContact CG-CB 4.32Å; V265-Q267 HydrophobicContact CG1-CG 3.64Å; Q267-H285 PolarHBondContact N-CE1 3.33Å
268	T	98.3	Very high	96.6	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.117	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-177.9	167.9	-172.5	0	0	0	0	109.7	L246 W247 G248 Q252 G279 F280 C283	L246-T268 PolarHBondContact O-N 3.37Å; W247-T268 WeakPolarHBondContact CA-O 3.34Å; W247-T268 VanDerWaalsContact CD1-CG2 3.46Å; W247-T268 HydrophobicContact CG-CG2 4.4Å; G248-T268 PolarHBondContact N-O 3.17Å; Q252-T268 PolarHBondContact NE2-O 2.83Å; T268-G279 PolarHBondContact OG1-O 3.24Å; T268-F280 HydrophobicContact CG2-CD2 3.96Å; T268-F280 PolarHBondContact OG1-N 3.45Å; T268-C283 HydrophobicContact CG2-CB 3.89Å
269	V	97.4	Very high	96.7	Very high	39 Å²	39	67.7 Å²	67.7	24%	0.236	33%	0.326	C	S	.	.			trans	-68.1	162.5	172.4	-61.9	0	0	0	0	111.6	S275 R278 F280	V269-S275 WeakPolarHBondContact CG2-O 3.4Å; V269-R278 HydrophobicContact CG1-CB 4.12Å; V269-R278 HydrophobicContact CG2-CB 4.19Å; V269-F280 HydrophobicContact CG2-CB 3.99Å
270	H	97.2	Very high	96.9	Very high	47 Å²	47	64.5 Å²	64.5	22%	0.218	31%	0.309	C	S	.	.			trans	-67.8	147.8	-178.9	-172.4	-92.1	0	0	0	111.5	F160 S272 S275	F160-H270 AromaticContact CE1-CE1 3.89Å; F160-H270 AromaticContact CE1-NE2 3.45Å; F160-H270 WeakPolarHBondContact CE1-NE2 3.41Å; F160-H270 AromaticContact CZ-NE2 3.6Å; H270-S272 WeakPolarHBondContact ND1-CB 3.5Å; H270-S272 PolarHBondContact ND1-N 3.47Å; H270-S272 PolarHBondContact O-N 3.18Å; H270-S272 VanDerWaalsContact O-N 3.08Å; H270-S275 PolarHBondContact O-OG 2.82Å
271	P	97.2	Very high	97	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-70	2.3	177.2	26.7	-36.3	0	0	0	115.1	F160 N174 M175 W247 F280	F160-P271 HydrophobicContact CD1-CG 4.41Å; F160-P271 HydrophobicContact CE1-CG 3.7Å; F160-P271 HydrophobicContact CZ-CG 4.12Å; N174-P271 HydrophobicContact CB-CB 4.42Å; N174-P271 VanDerWaalsContact CB-O 3.25Å; N174-P271 WeakPolarHBondContact CB-O 3.34Å; N174-P271 PolarHBondContact ND2-O 3.44Å; M175-P271 HydrophobicContact CG-CB 3.97Å; M175-P271 HydrophobicContact CG-CG 4.12Å; M175-P271 HydrophobicContact SD-CG 4.41Å; W247-P271 HydrophobicContact CE3-CG 4.34Å; P271-F280 HydrophobicContact CB-CD1 3.95Å; P271-F280 HydrophobicContact CB-CD2 3.88Å; P271-F280 HydrophobicContact CB-CE1 3.81Å; P271-F280 HydrophobicContact CB-CE2 3.73Å; P271-F280 HydrophobicContact CB-CG 4Å; P271-F280 HydrophobicContact CB-CZ 3.72Å; P271-F280 HydrophobicContact CG-CD2 4.43Å; P271-F280 HydrophobicContact CG-CE2 4.14Å; P271-F280 HydrophobicContact CG-CZ 4.43Å
272	S	95.1	Very high	97.2	Very high	25 Å²	25	53 Å²	53	18%	0.175	28%	0.279	C	S	.	.	S	Bend	trans	-59.7	146.4	177.5	166.9	0	0	0	0	110.3	H270 L274 S275 A276	H270-S272 WeakPolarHBondContact ND1-CB 3.5Å; H270-S272 PolarHBondContact ND1-N 3.47Å; H270-S272 PolarHBondContact O-N 3.18Å; H270-S272 VanDerWaalsContact O-N 3.08Å; S272-L274 PolarHBondContact O-N 3.42Å; S272-L274 PolarHBondContact OG-N 3.18Å; S272-S275 PolarHBondContact O-N 3.26Å; S272-S275 PolarHBondContact O-OG 3.44Å; S272-A276 WeakPolarHBondContact O-CB 3.45Å; S272-A276 PolarHBondContact O-N 3.43Å
273	P	94.5	Very high	97.3	Very high	70 Å²	70	49.8 Å²	49.8	46%	0.455	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-31.1	173	-28.6	35.4	0	0	0	114.1	P170 S275	P170-P273 HydrophobicContact CB-CG 3.56Å; P273-S275 PolarHBondContact O-N 2.95Å
274	L	94.1	Very high	97.3	Very high	148 Å²	148	55.7 Å²	55.7	78%	0.775	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.5	178.7	-60.7	177.8	0	0	0	114.1	S272 R278	S272-L274 PolarHBondContact O-N 3.42Å; S272-L274 PolarHBondContact OG-N 3.18Å; L274-R278 PolarHBondContact O-NH2 3.41Å
275	S	95.8	Very high	97.3	Very high	14 Å²	14	53.4 Å²	53.4	10%	0.098	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-19	-172.9	52.7	0	0	0	0	115.4	V269 H270 S272 P273 H277 R278	V269-S275 WeakPolarHBondContact CG2-O 3.4Å; H270-S275 PolarHBondContact O-OG 2.82Å; S272-S275 PolarHBondContact O-N 3.26Å; S272-S275 PolarHBondContact O-OG 3.44Å; P273-S275 PolarHBondContact O-N 2.95Å; S275-H277 VanDerWaalsContact C-N 3.27Å; S275-H277 PolarHBondContact O-N 3.48Å; S275-H277 VanDerWaalsContact O-N 3.14Å; S275-R278 WeakPolarHBondContact O-CB 3.36Å; S275-R278 PolarHBondContact O-N 2.9Å
276	A	96.3	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-55	-40.7	-169	0	0	0	0	0	113.7	N174 S272 R278 G279 F280 F281	N174-A276 HydrophobicContact CB-CB 4.46Å; S272-A276 WeakPolarHBondContact O-CB 3.45Å; S272-A276 PolarHBondContact O-N 3.43Å; A276-R278 PolarHBondContact O-N 2.93Å; A276-G279 PolarHBondContact O-N 3.26Å; A276-F280 HydrophobicContact CB-CB 4.27Å; A276-F280 WeakPolarHBondContact O-CB 3.49Å; A276-F280 PolarHBondContact O-N 3.38Å; A276-F281 HydrophobicContact CB-CD2 3.92Å; A276-F281 HydrophobicContact CB-CE2 3.49Å; A276-F281 VanDerWaalsContact CB-CE2 3.49Å; A276-F281 HydrophobicContact CB-CZ 3.85Å; A276-F281 PolarHBondContact O-N 3.43Å; A276-F281 VanDerWaalsContact O-N 3.15Å
277	H	97.1	Very high	97.3	Very high	160 Å²	160	51.7 Å²	51.7	74%	0.741	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-66.9	-13.2	178.1	-65.3	-79	0	0	0	114.7	S275 G279 F281	S275-H277 VanDerWaalsContact C-N 3.27Å; S275-H277 PolarHBondContact O-N 3.48Å; S275-H277 VanDerWaalsContact O-N 3.14Å; H277-G279 VanDerWaalsContact C-N 3.25Å; H277-G279 PolarHBondContact O-N 3.37Å; H277-F281 AromaticContact CE1-CD2 3.92Å; H277-F281 AromaticContact CE1-CE2 3.67Å; H277-F281 AromaticContact ND1-CD2 3.72Å; H277-F281 AromaticContact ND1-CE2 3.91Å; H277-F281 AromaticContact NE2-CE2 3.82Å
278	R	96.9	Very high	97.4	Very high	183 Å²	183	52 Å²	52	69%	0.691	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-85	6.6	178.8	-64.2	-174.9	-75.7	-174.7	-11.9	113.5	V269 L274 S275 A276	V269-R278 HydrophobicContact CG1-CB 4.12Å; V269-R278 HydrophobicContact CG2-CB 4.19Å; L274-R278 PolarHBondContact O-NH2 3.41Å; S275-R278 WeakPolarHBondContact O-CB 3.36Å; S275-R278 PolarHBondContact O-N 2.9Å; A276-R278 PolarHBondContact O-N 2.93Å
279	G	96.8	Very high	97.4	Very high	28 Å²	28	51.1 Å²	51.1	29%	0.289	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	142.3	-1.8	172.5	0	0	0	0	0	116.2	T268 A276 H277 C283	T268-G279 PolarHBondContact OG1-O 3.24Å; A276-G279 PolarHBondContact O-N 3.26Å; H277-G279 VanDerWaalsContact C-N 3.25Å; H277-G279 PolarHBondContact O-N 3.37Å; G279-C283 WeakPolarHBondContact O-CB 3.46Å
280	F	98.5	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-47.3	172	-178.1	-91.8	0	0	0	109.4	M175 E178 W247 T268 V269 P271 A276 G282 C283	M175-F280 HydrophobicContact CB-CZ 4.34Å; M175-F280 HydrophobicContact CG-CE1 4.37Å; M175-F280 HydrophobicContact CG-CZ 3.77Å; E178-F280 HydrophobicContact CB-CD1 4.29Å; E178-F280 HydrophobicContact CB-CE1 3.62Å; E178-F280 HydrophobicContact CB-CZ 4.3Å; E178-F280 HydrophobicContact CG-CE1 4.13Å; E178-F280 HydrophobicContact CG-CZ 4.5Å; W247-F280 HydrophobicContact CD2-CD2 4.5Å; W247-F280 AromaticContact CD2-CE2 3.82Å; W247-F280 HydrophobicContact CD2-CE2 3.82Å; W247-F280 AromaticContact CE2-CE2 3.78Å; W247-F280 HydrophobicContact CE3-CE2 4.14Å; W247-F280 HydrophobicContact CG-CD2 4.43Å; W247-F280 HydrophobicContact CG-CE2 4.21Å; W247-F280 HydrophobicContact CH2-CE2 4.4Å; W247-F280 HydrophobicContact CZ2-CE2 4.08Å; W247-F280 HydrophobicContact CZ3-CE2 4.41Å; T268-F280 HydrophobicContact CG2-CD2 3.96Å; T268-F280 PolarHBondContact OG1-N 3.45Å; V269-F280 HydrophobicContact CG2-CB 3.99Å; P271-F280 HydrophobicContact CB-CD1 3.95Å; P271-F280 HydrophobicContact CB-CD2 3.88Å; P271-F280 HydrophobicContact CB-CE1 3.81Å; P271-F280 HydrophobicContact CB-CE2 3.73Å; P271-F280 HydrophobicContact CB-CG 4Å; P271-F280 HydrophobicContact CB-CZ 3.72Å; P271-F280 HydrophobicContact CG-CD2 4.43Å; P271-F280 HydrophobicContact CG-CE2 4.14Å; P271-F280 HydrophobicContact CG-CZ 4.43Å; A276-F280 HydrophobicContact CB-CB 4.27Å; A276-F280 WeakPolarHBondContact O-CB 3.49Å; A276-F280 PolarHBondContact O-N 3.38Å; F280-G282 PolarHBondContact O-N 3.33Å; F280-C283 WeakPolarHBondContact O-CB 3.33Å; F280-C283 PolarHBondContact O-N 2.97Å; F280-C283 VanDerWaalsContact O-N 3.11Å; F280-C283 PolarHBondContact O-SG 3.02Å
281	F	98.6	Very high	97.5	Very high	57 Å²	57	52.9 Å²	52.9	25%	0.25	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	127.3	170.3	-63.6	-48.7	0	0	0	110.6	N174 K177 E178 A276 H277 C283	N174-F281 HydrophobicContact CB-CE1 3.99Å; N174-F281 HydrophobicContact CB-CZ 3.81Å; N174-F281 WeakPolarHBondContact O-CE1 3.27Å; K177-F281 HydrophobicContact CB-CE1 3.92Å; K177-F281 HydrophobicContact CD-CE1 4.45Å; K177-F281 HydrophobicContact CD-CZ 4.35Å; E178-F281 HydrophobicContact CB-CD1 4.46Å; E178-F281 VanDerWaalsContact OE2-CA 3.27Å; E178-F281 WeakPolarHBondContact OE2-CA 3.43Å; A276-F281 HydrophobicContact CB-CD2 3.92Å; A276-F281 HydrophobicContact CB-CE2 3.49Å; A276-F281 VanDerWaalsContact CB-CE2 3.49Å; A276-F281 HydrophobicContact CB-CZ 3.85Å; A276-F281 PolarHBondContact O-N 3.43Å; A276-F281 VanDerWaalsContact O-N 3.15Å; H277-F281 AromaticContact CE1-CD2 3.92Å; H277-F281 AromaticContact CE1-CE2 3.67Å; H277-F281 AromaticContact ND1-CD2 3.72Å; H277-F281 AromaticContact ND1-CE2 3.91Å; H277-F281 AromaticContact NE2-CE2 3.82Å; F281-C283 VanDerWaalsContact C-N 3.32Å
282	G	98.4	Very high	97.6	Very high	56 Å²	56	54.2 Å²	54.2	58%	0.577	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	6.8	-173.8	0	0	0	0	0	114.3	E178 F280 R284	E178-G282 PolarHBondContact OE1-N 3.34Å; E178-G282 PolarHBondContact OE2-N 3.4Å; F280-G282 PolarHBondContact O-N 3.33Å; G282-R284 PolarHBondContact O-N 3.2Å
283	C	98.5	Very high	97.8	Very high	10 Å²	10	53 Å²	53	7%	0.068	27%	0.271	C	S	.	.			trans	-66.5	-29.8	178.1	75.7	0	0	0	0	112.1	E178 T268 G279 F280 F281 H285 K288	E178-C283 PolarHBondContact OE1-N 3.31Å; E178-C283 VanDerWaalsContact OE1-N 3.07Å; T268-C283 HydrophobicContact CG2-CB 3.89Å; G279-C283 WeakPolarHBondContact O-CB 3.46Å; F280-C283 WeakPolarHBondContact O-CB 3.33Å; F280-C283 PolarHBondContact O-N 2.97Å; F280-C283 VanDerWaalsContact O-N 3.11Å; F280-C283 PolarHBondContact O-SG 3.02Å; F281-C283 VanDerWaalsContact C-N 3.32Å; C283-H285 VanDerWaalsContact C-N 3.25Å; C283-H285 PolarHBondContact O-CD2 3.37Å; C283-H285 PolarHBondContact O-N 3.28Å; C283-H285 PolarHBondContact SG-CD2 3.48Å; C283-H285 PolarHBondContact SG-N 2.83Å; C283-K288 PolarHBondContact O-NZ 3.26Å
284	R	98.7	Very high	98	Very high	125 Å²	125	55 Å²	55	47%	0.472	27%	0.274	S	S	.	.			trans	55.1	37.4	-178.5	-59.2	-164.5	70.4	-175.9	4.5	113.5	E178 D182 G282 F286 S287 K288	E178-R284 WeakPolarHBondContact OE1-CA 3.31Å; E178-R284 PolarHBondContact OE1-N 3.05Å; D182-R284 VanDerWaalsContact CG-CA 3.43Å; D182-R284 WeakPolarHBondContact OD1-CA 3.41Å; D182-R284 WeakPolarHBondContact OD1-CB 3.28Å; D182-R284 WeakPolarHBondContact OD1-CG 3.42Å; D182-R284 IonicContact OD1-CZ 2.69Å; D182-R284 IonicContact OD1-NE 3.4Å; D182-R284 PolarHBondContact OD1-NE 3.31Å; D182-R284 IonicContact OD1-NH2 2.81Å; D182-R284 VanDerWaalsContact OD2-CA 3.24Å; D182-R284 WeakPolarHBondContact OD2-CA 3.46Å; G282-R284 PolarHBondContact O-N 3.2Å; R284-F286 VanDerWaalsContact C-N 3.3Å; R284-F286 PolarHBondContact O-N 3.24Å; R284-S287 PolarHBondContact O-OG 3.45Å; R284-K288 VanDerWaalsContact O-CB 3.25Å; R284-K288 WeakPolarHBondContact O-CB 3.44Å; R284-K288 VanDerWaalsContact O-CD 3.31Å; R284-K288 WeakPolarHBondContact O-CD 3.28Å; R284-K288 WeakPolarHBondContact O-CG 3.38Å; R284-K288 PolarHBondContact O-N 2.89Å; R284-K288 VanDerWaalsContact O-N 3.14Å
285	H	98.8	Very high	98.1	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-29	-175.3	-83.2	-155.2	0	0	0	112.7	M245 W247 L266 Q267 C283 A289	M245-H285 HydrophobicContact CE-CB 4.21Å; M245-H285 WeakPolarHBondContact CE-O 3.46Å; M245-H285 HydrophobicContact SD-CB 4.26Å; W247-H285 AromaticContact CD1-CE1 3.91Å; W247-H285 AromaticContact CD1-ND1 3.72Å; W247-H285 AromaticContact NE1-CE1 3.61Å; W247-H285 AromaticContact NE1-CG 3.87Å; W247-H285 AromaticContact NE1-ND1 2.98Å; W247-H285 PolarHBondContact NE1-ND1 3.12Å; L266-H285 VanDerWaalsContact CB-CE1 3.45Å; L266-H285 WeakPolarHBondContact CB-CE1 3.39Å; L266-H285 HydrophobicContact CD1-CB 4.22Å; Q267-H285 PolarHBondContact N-CE1 3.33Å; C283-H285 VanDerWaalsContact C-N 3.25Å; C283-H285 PolarHBondContact O-CD2 3.37Å; C283-H285 PolarHBondContact O-N 3.28Å; C283-H285 PolarHBondContact SG-CD2 3.48Å; C283-H285 PolarHBondContact SG-N 2.83Å; H285-A289 WeakPolarHBondContact O-CB 3.19Å; H285-A289 PolarHBondContact O-N 3.06Å
286	F	98.9	Very high	98.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72	-46.6	-175.9	-56.7	-82.9	0	0	0	111	M175 E178 L179 D182 I183 W197 W247 R284 N290 W303	M175-F286 HydrophobicContact CB-CZ 4.49Å; E178-F286 HydrophobicContact CB-CE2 4.24Å; E178-F286 HydrophobicContact CG-CD2 4.15Å; E178-F286 HydrophobicContact CG-CE2 3.83Å; L179-F286 HydrophobicContact CD1-CD1 4.48Å; L179-F286 HydrophobicContact CD1-CE1 4Å; L179-F286 HydrophobicContact CD1-CE2 4.32Å; L179-F286 HydrophobicContact CD1-CZ 3.91Å; L179-F286 HydrophobicContact CD2-CB 3.84Å; L179-F286 HydrophobicContact CD2-CD1 3.53Å; L179-F286 HydrophobicContact CD2-CD2 3.65Å; L179-F286 HydrophobicContact CD2-CE1 3.89Å; L179-F286 HydrophobicContact CD2-CE2 4.03Å; L179-F286 HydrophobicContact CD2-CG 3.38Å; L179-F286 HydrophobicContact CD2-CZ 4.13Å; L179-F286 HydrophobicContact CG-CD1 4.05Å; L179-F286 HydrophobicContact CG-CD2 3.72Å; L179-F286 HydrophobicContact CG-CE1 3.92Å; L179-F286 HydrophobicContact CG-CE2 3.6Å; L179-F286 HydrophobicContact CG-CG 3.95Å; L179-F286 HydrophobicContact CG-CZ 3.69Å; D182-F286 WeakPolarHBondContact OD2-CA 3.48Å; D182-F286 WeakPolarHBondContact OD2-CB 3.47Å; D182-F286 PolarHBondContact OD2-N 2.98Å; I183-F286 HydrophobicContact CD1-CB 3.83Å; I183-F286 HydrophobicContact CG1-CB 3.87Å; W197-F286 HydrophobicContact CH2-CE1 4.29Å; W247-F286 HydrophobicContact CH2-CE1 4.22Å; W247-F286 HydrophobicContact CH2-CZ 4.02Å; W247-F286 HydrophobicContact CZ2-CZ 4.29Å; R284-F286 VanDerWaalsContact C-N 3.3Å; R284-F286 PolarHBondContact O-N 3.24Å; F286-N290 PolarHBondContact O-N 3.33Å; F286-W303 HydrophobicContact CB-CD2 4.28Å; F286-W303 HydrophobicContact CB-CG 4.22Å; F286-W303 AromaticContact CD1-CD2 3.82Å; F286-W303 HydrophobicContact CD1-CD2 3.82Å; F286-W303 AromaticContact CD1-CE3 3.87Å; F286-W303 HydrophobicContact CD1-CE3 3.87Å; F286-W303 HydrophobicContact CD1-CG 4.37Å; F286-W303 HydrophobicContact CD1-CH2 4.31Å; F286-W303 HydrophobicContact CD1-CZ2 4.26Å; F286-W303 HydrophobicContact CD1-CZ3 4.11Å; F286-W303 HydrophobicContact CE1-CE3 4.4Å; F286-W303 HydrophobicContact CE1-CZ3 4.49Å; F286-W303 PolarHBondContact O-NE1 2.85Å
287	S	98.8	Very high	98.2	Very high	19 Å²	19	60.8 Å²	60.8	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-47.6	173.9	60.3	0	0	0	0	111.6	D182 R284 A289 N290 E291	D182-S287 VanDerWaalsContact CG-OG 3.28Å; D182-S287 VanDerWaalsContact OD1-CB 3.26Å; D182-S287 WeakPolarHBondContact OD1-CB 3.12Å; D182-S287 PolarHBondContact OD1-OG 3.16Å; D182-S287 PolarHBondContact OD2-N 2.96Å; D182-S287 PolarHBondContact OD2-OG 3.37Å; R284-S287 PolarHBondContact O-OG 3.45Å; S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 PolarHBondContact O-N 2.75Å; S287-N290 PolarHBondContact O-N 2.79Å; S287-E291 PolarHBondContact O-N 3.42Å
288	K	98.9	Very high	98.2	Very high	84 Å²	84	55.6 Å²	55.6	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-57.2	-37.6	176.6	-74.1	171.7	-175.7	168.2	0	112.7	L266 C283 R284 E291 L292	L266-K288 HydrophobicContact CD1-CB 4.02Å; L266-K288 HydrophobicContact CD2-CB 4.45Å; C283-K288 PolarHBondContact O-NZ 3.26Å; R284-K288 VanDerWaalsContact O-CB 3.25Å; R284-K288 WeakPolarHBondContact O-CB 3.44Å; R284-K288 VanDerWaalsContact O-CD 3.31Å; R284-K288 WeakPolarHBondContact O-CD 3.28Å; R284-K288 WeakPolarHBondContact O-CG 3.38Å; R284-K288 PolarHBondContact O-N 2.89Å; R284-K288 VanDerWaalsContact O-N 3.14Å; K288-E291 PolarHBondContact O-N 3.14Å; K288-L292 WeakPolarHBondContact O-CB 3.27Å; K288-L292 WeakPolarHBondContact O-CD1 3.17Å; K288-L292 WeakPolarHBondContact O-CG 3.29Å; K288-L292 PolarHBondContact O-N 3.29Å
289	A	98.9	Very high	98.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-43.2	176.2	0	0	0	0	0	111.9	V243 M245 L266 H285 S287 L292 L293 W303	V243-A289 HydrophobicContact CB-CB 4.47Å; V243-A289 HydrophobicContact CG1-CB 3.9Å; M245-A289 HydrophobicContact CE-CB 3.25Å; L266-A289 HydrophobicContact CD1-CB 4.31Å; H285-A289 WeakPolarHBondContact O-CB 3.19Å; H285-A289 PolarHBondContact O-N 3.06Å; S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 PolarHBondContact O-N 2.75Å; A289-L292 PolarHBondContact O-N 2.97Å; A289-L293 VanDerWaalsContact O-CG 3.28Å; A289-L293 WeakPolarHBondContact O-CG 3.42Å; A289-L293 PolarHBondContact O-N 2.8Å; A289-W303 HydrophobicContact CB-CZ2 4.37Å
290	N	98.9	Very high	98.3	Very high	26 Å²	26	51.6 Å²	51.6	14%	0.139	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-45	175.6	-76.1	-5.2	0	0	0	111.7	F286 S287 L292 L293 E294 P300 I301 W303	F286-N290 PolarHBondContact O-N 3.33Å; S287-N290 PolarHBondContact O-N 2.79Å; N290-L292 VanDerWaalsContact C-N 3.27Å; N290-L292 PolarHBondContact O-N 2.89Å; N290-L293 PolarHBondContact O-N 2.83Å; N290-L293 VanDerWaalsContact O-N 3.16Å; N290-E294 WeakPolarHBondContact O-CG 3.36Å; N290-E294 PolarHBondContact O-N 3.19Å; N290-P300 HydrophobicContact CB-CB 3.78Å; N290-I301 PolarHBondContact ND2-O 3.33Å; N290-I301 PolarHBondContact OD1-N 2.77Å; N290-I301 PolarHBondContact OD1-O 2.88Å; N290-W303 PolarHBondContact ND2-NE1 3.18Å; N290-W303 PolarHBondContact OD1-NE1 2.79Å
291	E	98.8	Very high	98.4	Very high	97 Å²	97	51.7 Å²	51.7	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-57.8	-39.2	175.2	-68.3	176.5	-168.2	0	0	112.6	S287 K288 K295	S287-E291 PolarHBondContact O-N 3.42Å; K288-E291 PolarHBondContact O-N 3.14Å; E291-K295 VanDerWaalsContact O-CG 3.27Å; E291-K295 WeakPolarHBondContact O-CG 3.44Å; E291-K295 PolarHBondContact O-N 3.48Å; E291-K295 VanDerWaalsContact O-N 3.12Å
292	L	98.8	Very high	98.4	Very high	29 Å²	29	52.6 Å²	52.6	15%	0.152	30%	0.296	C	S	.	.	H	α-helix	trans	-71.1	-39.4	177.8	-71.3	167	0	0	0	112	V243 H264 L266 K288 A289 N290 K295 C296	V243-L292 HydrophobicContact CG1-CD1 4.23Å; V243-L292 HydrophobicContact CG2-CB 3.85Å; V243-L292 HydrophobicContact CG2-CD1 4.42Å; H264-L292 HydrophobicContact CB-CD1 3.74Å; H264-L292 HydrophobicContact CB-CD2 4.35Å; H264-L292 HydrophobicContact CB-CG 4.46Å; L266-L292 HydrophobicContact CD1-CD1 4.29Å; L266-L292 HydrophobicContact CD2-CD1 4.01Å; L266-L292 HydrophobicContact CG-CD1 4.25Å; K288-L292 WeakPolarHBondContact O-CB 3.27Å; K288-L292 WeakPolarHBondContact O-CD1 3.17Å; K288-L292 WeakPolarHBondContact O-CG 3.29Å; K288-L292 PolarHBondContact O-N 3.29Å; A289-L292 PolarHBondContact O-N 2.97Å; N290-L292 VanDerWaalsContact C-N 3.27Å; N290-L292 PolarHBondContact O-N 2.89Å; L292-K295 PolarHBondContact O-N 3.36Å; L292-C296 PolarHBondContact O-N 3.16Å
293	L	98.7	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-45	174.8	-71.5	174.2	0	0	0	111.2	K140 V141 V243 A289 N290 K295 C296 G297 K298 I301	K140-L293 HydrophobicContact CB-CD1 4.22Å; K140-L293 HydrophobicContact CB-CD2 3.81Å; V141-L293 HydrophobicContact CG2-CD1 3.9Å; V243-L293 HydrophobicContact CG2-CD2 4.02Å; V243-L293 HydrophobicContact CG2-CG 4.1Å; A289-L293 VanDerWaalsContact O-CG 3.28Å; A289-L293 WeakPolarHBondContact O-CG 3.42Å; A289-L293 PolarHBondContact O-N 2.8Å; N290-L293 PolarHBondContact O-N 2.83Å; N290-L293 VanDerWaalsContact O-N 3.16Å; L293-K295 PolarHBondContact O-N 3.42Å; L293-C296 CarbonylContact O-C 3.42Å; L293-C296 WeakPolarHBondContact O-CA 3.49Å; L293-C296 WeakPolarHBondContact O-CB 3.42Å; L293-C296 PolarHBondContact O-N 3.26Å; L293-G297 PolarHBondContact O-N 2.89Å; L293-K298 CarbonylContact C-O 3.48Å; L293-K298 HydrophobicContact CB-CB 4.14Å; L293-K298 HydrophobicContact CD2-CB 4.16Å; L293-K298 HydrophobicContact CD2-CD 3.8Å; L293-K298 WeakPolarHBondContact O-CB 3.48Å; L293-K298 PolarHBondContact O-N 3.26Å; L293-I301 HydrophobicContact CD1-CD1 4.36Å; L293-I301 HydrophobicContact CD1-CG1 3.94Å
294	E	98.4	Very high	98.3	Very high	112 Å²	112	54.7 Å²	54.7	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-41.4	177.8	-72.3	172.7	170.3	0	0	111.9	N290 C296 G297	N290-E294 WeakPolarHBondContact O-CG 3.36Å; N290-E294 PolarHBondContact O-N 3.19Å; E294-C296 PolarHBondContact O-N 3.26Å; E294-G297 PolarHBondContact O-N 3.31Å
295	K	97.4	Very high	98.3	Very high	155 Å²	155	50.7 Å²	50.7	67%	0.674	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-26.3	173.4	-74.7	169.3	-172.8	169.7	0	113.2	E291 L292 L293	E291-K295 VanDerWaalsContact O-CG 3.27Å; E291-K295 WeakPolarHBondContact O-CG 3.44Å; E291-K295 PolarHBondContact O-N 3.48Å; E291-K295 VanDerWaalsContact O-N 3.12Å; L292-K295 PolarHBondContact O-N 3.36Å; L293-K295 PolarHBondContact O-N 3.42Å
296	C	95.9	Very high	98	Very high	53 Å²	53	52.8 Å²	52.8	36%	0.358	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	8.7	174	-67.8	0	0	0	0	113.5	H264 L292 L293 E294 K298	H264-C296 PolarHBondContact NE2-SG 3.17Å; L292-C296 PolarHBondContact O-N 3.16Å; L293-C296 CarbonylContact O-C 3.42Å; L293-C296 WeakPolarHBondContact O-CA 3.49Å; L293-C296 WeakPolarHBondContact O-CB 3.42Å; L293-C296 PolarHBondContact O-N 3.26Å; E294-C296 PolarHBondContact O-N 3.26Å; C296-K298 HydrophobicContact CB-CG 4.38Å; C296-K298 PolarHBondContact O-N 2.93Å
297	G	97.1	Very high	98	Very high	75 Å²	75	55.4 Å²	55.4	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	19.5	-178.3	0	0	0	0	0	114.1	L293 E294	L293-G297 PolarHBondContact O-N 2.89Å; E294-G297 PolarHBondContact O-N 3.31Å
298	K	97.8	Very high	97.9	Very high	51 Å²	51	57.3 Å²	57.3	22%	0.222	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-97.3	148.5	177.1	-62.9	-178.1	177.4	-175.1	0	110.2	E240 G241 L293 C296	E240-K298 WeakPolarHBondContact O-CE 3.45Å; E240-K298 PolarHBondContact O-NZ 3.47Å; G241-K298 VanDerWaalsContact C-NZ 3.34Å; G241-K298 PolarHBondContact O-NZ 2.85Å; L293-K298 CarbonylContact C-O 3.48Å; L293-K298 HydrophobicContact CB-CB 4.14Å; L293-K298 HydrophobicContact CD2-CB 4.16Å; L293-K298 HydrophobicContact CD2-CD 3.8Å; L293-K298 WeakPolarHBondContact O-CB 3.48Å; L293-K298 PolarHBondContact O-N 3.26Å; C296-K298 HydrophobicContact CB-CG 4.38Å; C296-K298 PolarHBondContact O-N 2.93Å
299	S	98	Very high	97.9	Very high	71 Å²	71	55.8 Å²	55.8	50%	0.497	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-65.6	137.9	172.7	49.2	0	0	0	0	111.2	K140	K140-S299 PolarHBondContact NZ-OG 3.5Å
300	P	98.5	Very high	97.8	Very high	55 Å²	55	59.1 Å²	59.1	36%	0.357	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.7	163.4	176.2	28.8	-35.4	0	0	0	111.1	N290	N290-P300 HydrophobicContact CB-CB 3.78Å
301	I	98.8	Very high	97.8	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.015	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-85	130	170.8	-54.2	-57.7	0	0	0	108.7	K140 V141 Q200 V202 N290 L293 W303	K140-I301 HydrophobicContact CB-CD1 4.31Å; K140-I301 HydrophobicContact CD-CD1 3.96Å; V141-I301 HydrophobicContact CG2-CD1 4.42Å; V141-I301 HydrophobicContact CG2-CG1 3.9Å; Q200-I301 HydrophobicContact CB-CD1 4.1Å; Q200-I301 HydrophobicContact CB-CG2 4.49Å; V202-I301 HydrophobicContact CG2-CD1 3.85Å; V202-I301 HydrophobicContact CG2-CG1 3.9Å; V202-I301 HydrophobicContact CG2-CG2 3.86Å; N290-I301 PolarHBondContact ND2-O 3.33Å; N290-I301 PolarHBondContact OD1-N 2.77Å; N290-I301 PolarHBondContact OD1-O 2.88Å; L293-I301 HydrophobicContact CD1-CD1 4.36Å; L293-I301 HydrophobicContact CD1-CG1 3.94Å; I301-W303 HydrophobicContact CB-CD2 4.06Å; I301-W303 HydrophobicContact CB-CE3 4.42Å; I301-W303 HydrophobicContact CB-CH2 4.11Å; I301-W303 HydrophobicContact CB-CZ2 3.71Å; I301-W303 HydrophobicContact CB-CZ3 4.45Å; I301-W303 HydrophobicContact CG1-CH2 4.12Å; I301-W303 HydrophobicContact CG1-CZ2 3.91Å; I301-W303 HydrophobicContact CG2-CD2 3.7Å; I301-W303 HydrophobicContact CG2-CE3 3.67Å; I301-W303 HydrophobicContact CG2-CG 4.36Å; I301-W303 HydrophobicContact CG2-CH2 3.94Å; I301-W303 HydrophobicContact CG2-CZ2 3.97Å; I301-W303 HydrophobicContact CG2-CZ3 3.8Å; I301-W303 PolarHBondContact O-N 2.81Å
302	D	98.6	Very high	97.7	Very high	75 Å²	75	58.8 Å²	58.8	40%	0.401	34%	0.337	S	S	.	.			trans	-79.8	94.2	164.5	-175	3.3	0	0	0	109.1	Q200 K304 A305	Q200-D302 PolarHBondContact NE2-O 2.7Å; Q200-D302 PolarHBondContact OE1-O 3.17Å; D302-K304 PolarHBondContact O-N 3.46Å; D302-K304 WeakPolarHBondContact OD1-CB 3.34Å; D302-K304 PolarHBondContact OD1-N 3.41Å; D302-A305 HydrophobicContact CB-CB 4.14Å; D302-A305 PolarHBondContact O-N 3.21Å
303	W	98.6	Very high	97.6	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.2	179	-59.5	111.4	0	0	0	113.3	V141 L179 I183 F186 W197 V202 M245 F286 A289 N290 I301	V141-W303 HydrophobicContact CG1-CH2 4.36Å; V141-W303 HydrophobicContact CG2-CH2 4.49Å; L179-W303 HydrophobicContact CD2-CB 3.76Å; L179-W303 HydrophobicContact CD2-CG 4.16Å; I183-W303 HydrophobicContact CG1-CB 4.3Å; I183-W303 HydrophobicContact CG1-CG 4.38Å; F186-W303 WeakPolarHBondContact CE2-O 3.4Å; W197-W303 AromaticContact CD2-CE3 3.79Å; W197-W303 HydrophobicContact CD2-CE3 3.79Å; W197-W303 AromaticContact CD2-CZ3 3.97Å; W197-W303 HydrophobicContact CD2-CZ3 3.97Å; W197-W303 AromaticContact CE2-CE3 3.71Å; W197-W303 HydrophobicContact CE3-CE3 4.24Å; W197-W303 HydrophobicContact CE3-CZ3 4.09Å; W197-W303 HydrophobicContact CG-CE3 4.11Å; W197-W303 HydrophobicContact CG-CZ3 4.24Å; W197-W303 HydrophobicContact CZ2-CE3 4.12Å; W197-W303 AromaticContact NE1-CE3 3.93Å; W197-W303 PolarHBondContact NE1-O 3.39Å; V202-W303 HydrophobicContact CG1-CH2 4.48Å; V202-W303 HydrophobicContact CG1-CZ3 4.4Å; V202-W303 HydrophobicContact CG2-CH2 3.91Å; V202-W303 HydrophobicContact CG2-CZ3 3.9Å; M245-W303 HydrophobicContact CE-CH2 4.18Å; M245-W303 HydrophobicContact CE-CZ2 4.07Å; F286-W303 HydrophobicContact CB-CD2 4.28Å; F286-W303 HydrophobicContact CB-CG 4.22Å; F286-W303 AromaticContact CD1-CD2 3.82Å; F286-W303 HydrophobicContact CD1-CD2 3.82Å; F286-W303 AromaticContact CD1-CE3 3.87Å; F286-W303 HydrophobicContact CD1-CE3 3.87Å; F286-W303 HydrophobicContact CD1-CG 4.37Å; F286-W303 HydrophobicContact CD1-CH2 4.31Å; F286-W303 HydrophobicContact CD1-CZ2 4.26Å; F286-W303 HydrophobicContact CD1-CZ3 4.11Å; F286-W303 HydrophobicContact CE1-CE3 4.4Å; F286-W303 HydrophobicContact CE1-CZ3 4.49Å; F286-W303 PolarHBondContact O-NE1 2.85Å; A289-W303 HydrophobicContact CB-CZ2 4.37Å; N290-W303 PolarHBondContact ND2-NE1 3.18Å; N290-W303 PolarHBondContact OD1-NE1 2.79Å; I301-W303 HydrophobicContact CB-CD2 4.06Å; I301-W303 HydrophobicContact CB-CE3 4.42Å; I301-W303 HydrophobicContact CB-CH2 4.11Å; I301-W303 HydrophobicContact CB-CZ2 3.71Å; I301-W303 HydrophobicContact CB-CZ3 4.45Å; I301-W303 HydrophobicContact CG1-CH2 4.12Å; I301-W303 HydrophobicContact CG1-CZ2 3.91Å; I301-W303 HydrophobicContact CG2-CD2 3.7Å; I301-W303 HydrophobicContact CG2-CE3 3.67Å; I301-W303 HydrophobicContact CG2-CG 4.36Å; I301-W303 HydrophobicContact CG2-CH2 3.94Å; I301-W303 HydrophobicContact CG2-CZ2 3.97Å; I301-W303 HydrophobicContact CG2-CZ3 3.8Å; I301-W303 PolarHBondContact O-N 2.81Å
304	K	98.1	Very high	97.5	Very high	108 Å²	108	65.6 Å²	65.6	47%	0.47	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-13.9	178	-59.3	178.4	-68.8	-167.1	0	113.2	I183 D184 G185 F186 D302 L306	I183-K304 HydrophobicContact CG2-CG 4.37Å; D184-K304 PolarHBondContact O-NZ 3.41Å; G185-K304 WeakPolarHBondContact O-CD 3.43Å; F186-K304 HydrophobicContact CB-CG 4.19Å; F186-K304 HydrophobicContact CD2-CG 3.96Å; D302-K304 PolarHBondContact O-N 3.46Å; D302-K304 WeakPolarHBondContact OD1-CB 3.34Å; D302-K304 PolarHBondContact OD1-N 3.41Å; K304-L306 VanDerWaalsContact C-N 3.33Å; K304-L306 PolarHBondContact O-N 3.44Å
305	A	96.9	Very high	97.5	Very high	41 Å²	41	61.8 Å²	61.8	34%	0.339	37%	0.365	S	S	.	.			trans	-80	76.1	-179.3	0	0	0	0	0	111.8	G196 D302	G196-A305 CarbonylContact C-O 3.6Å; G196-A305 WeakPolarHBondContact CA-O 3.21Å; D302-A305 HydrophobicContact CB-CB 4.14Å; D302-A305 PolarHBondContact O-N 3.21Å
306	L	93.8	Very high	97.5	Very high	52 Å²	52	53.3 Å²	53.3	27%	0.272	34%	0.337	S	S	.	.			trans	-126.9	0	178.8	-72.6	-176.6	0	0	0	112.8	R164 Y176 P189 H191 L194 W197 K304	R164-L306 PolarHBondContact NH2-OXT 3.45Å; Y176-L306 HydrophobicContact CE1-CD1 3.89Å; P189-L306 HydrophobicContact CB-CB 4.19Å; P189-L306 HydrophobicContact CG-CB 4.35Å; P189-L306 HydrophobicContact CG-CD1 4.11Å; H191-L306 PolarHBondContact CE1-OXT 2.9Å; H191-L306 PolarHBondContact NE2-OXT 3.38Å; L194-L306 HydrophobicContact CD2-CD1 3.91Å; L194-L306 HydrophobicContact CD2-CD2 4.1Å; W197-L306 HydrophobicContact CD2-CD2 4.07Å; W197-L306 HydrophobicContact CG-CD2 3.88Å; W197-L306 HydrophobicContact CH2-CD1 4.41Å; W197-L306 HydrophobicContact CZ2-CD1 3.59Å; W197-L306 HydrophobicContact CZ2-CG 4.32Å; K304-L306 VanDerWaalsContact C-N 3.33Å; K304-L306 PolarHBondContact O-N 3.44Å

Retrieved 306 of 306 residues in 58.5 ms (Link to these results)

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