G4VB23_SCHMA Loading...

fumarate hydratase

AlphaFold DB , UniProt , Accession G4VB23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 aa.

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(Predicted Aligned Error values between residue pairs)

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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	42.2	Very low	38.4	Very low	234 Å²	234	144.1 Å²	144.1	100%	1.153	80%	0.795	S	S	*	*				0	115.3	0	-92.7	172.7	172.8	0	0	108.5
2	N	38.1	Very low	38.5	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	78%	0.783	S	S	*	*			trans	52.6	136.5	151.6	-59.6	-14.2	0	0	0	119.7
3	V	38.2	Very low	38.4	Very low	110 Å²	110	138.5 Å²	138.5	67%	0.667	79%	0.786	S	S	*	*			cis	-177.9	122.5	-6.3	139.6	0	0	0	0	101.6
4	K	37.8	Very low	38.6	Very low	181 Å²	181	144 Å²	144	79%	0.787	79%	0.788	S	S	*	*				58.2	122.5	105.1	-115.3	-178.9	-169.2	-176.9	0	112.8
5	L	38.8	Very low	38.8	Very low	131 Å²	131	143.2 Å²	143.2	69%	0.686	78%	0.783	S	S	*	*				175.5	125.5	82.3	-94.3	139	0	0	0	109.7
6	M	37.7	Very low	39.2	Very low	161 Å²	161	141.8 Å²	141.8	79%	0.793	78%	0.78	S	S	*	*				83.8	109.6	108	-87.9	-173.1	158.5	0	0	115.5
7	S	37.4	Very low	39.3	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	78%	0.784	S	S	*	*				74.7	138.9	84	83.3	0	0	0	0	112.3
8	A	38.4	Very low	39.5	Very low	75 Å²	75	149.8 Å²	149.8	62%	0.62	79%	0.785	S	S	*	*			cis	-168.8	169	23.2	0	0	0	0	0	110.4
9	Q	37.3	Very low	39.7	Very low	195 Å²	195	149.7 Å²	149.7	91%	0.911	78%	0.784	S	S	*	*			trans	64.5	113.8	151.2	-65.2	167.3	-4.3	0	0	116.8
10	G	36	Very low	39.9	Very low	68 Å²	68	150.1 Å²	150.1	70%	0.701	79%	0.786	S	S	*	*			cis	109.4	127.7	50	0	0	0	0	0	107.1
11	I	40.4	Very low	40.1	Very low	176 Å²	176	153.6 Å²	153.6	90%	0.903	79%	0.789	S	S	*	*			trans	153.7	119.7	151.8	-77.9	155.4	0	0	0	111.2
12	C	40.1	Very low	40.1	Very low	97 Å²	97	153.2 Å²	153.2	66%	0.655	77%	0.774	S	S	*	*			trans	73	81.8	151.5	-117.1	0	0	0	0	120.9	R14	C12-R14 PolarHBondContact O-N 2.98Å
13	S	36.8	Very low	40.4	Very low	118 Å²	118	153.6 Å²	153.6	83%	0.825	78%	0.777	S	S	*	*				-31.5	93	128.4	45.3	0	0	0	0	114.9
14	R	41	Very low	40.8	Very low	216 Å²	216	152.6 Å²	152.6	82%	0.815	78%	0.78	S	S	*	*			trans	-153.8	-2.6	159.1	-114.4	170.4	-168.8	-161.6	3.4	116.9	C12	C12-R14 PolarHBondContact O-N 2.98Å
15	N	42.1	Very low	41.4	Very low	132 Å²	132	149 Å²	149	71%	0.706	78%	0.784	S	S	*	*	S	Bend	trans	-112.3	-1.9	-172.6	-78.6	-22.7	0	0	0	116.6
16	V	44.6	Very low	42.1	Very low	121 Å²	121	147.9 Å²	147.9	73%	0.733	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-15.2	-175.2	-172.7	0	0	0	0	113.3
17	Y	41.7	Very low	43.5	Very low	217 Å²	217	149.2 Å²	149.2	85%	0.851	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-3.8	176.2	-102	-87.4	0	0	0	115.1
18	R	41.8	Very low	45.5	Very low	210 Å²	210	148.9 Å²	148.9	79%	0.792	80%	0.795	S	S	*	*	S	Bend	trans	-95.1	-13	-179.2	-111	179.7	-179.6	-176.6	-0.3	114.8
19	L	43.3	Very low	47.7	Very low	149 Å²	149	152.3 Å²	152.3	78%	0.78	81%	0.808	S	S	*	*	S	Bend	trans	-95	-13.4	-179.7	-100.7	89.4	0	0	0	114.9
20	L	45	Very low	50.1	Low	156 Å²	156	149.9 Å²	149.9	82%	0.817	79%	0.794	S	S	*	*	S	Bend	trans	-103.5	9.9	-175.8	-76.6	160.9	0	0	0	114.7
21	R	42.8	Very low	52.8	Low	224 Å²	224	152.4 Å²	152.4	85%	0.845	80%	0.798	S	S	*	*	S	Bend	trans	-114.2	14.3	176.4	-89	-168.4	175.8	-167.2	0.5	115.1
22	R	43.7	Very low	55.5	Low	226 Å²	226	153.1 Å²	153.1	85%	0.853	80%	0.795	S	S	*	*	S	Bend	trans	-90	0.7	179.6	-89.2	-175.3	171.1	-179.9	-2.8	115.9
23	N	44.5	Very low	58.1	Low	163 Å²	163	154 Å²	154	87%	0.872	79%	0.788	S	S	*	*	S	Bend	trans	-111.2	20.4	-176.2	-77.9	-10.1	0	0	0	115
24	A	44.9	Very low	60.9	Low	89 Å²	89	156.4 Å²	156.4	74%	0.736	78%	0.78	S	S	*	*	S	Bend	trans	-110.4	112.1	173.7	0	0	0	0	0	109.4
25	A	52.2	Low	63.4	Low	106 Å²	106	147.6 Å²	147.6	88%	0.876	75%	0.748	S	S	*	*	S	Bend	trans	95.6	24.8	167.3	0	0	0	0	0	120.6
26	S	51.9	Low	65.9	Low	107 Å²	107	145.3 Å²	145.3	75%	0.748	74%	0.736	S	S	*	*			trans	-89.8	115.5	156.7	61.3	0	0	0	0	109.6	A28	S26-A28 PolarHBondContact O-N 2.94Å
27	Q	68.3	Low	68.5	Low	188 Å²	188	142 Å²	142	88%	0.879	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-57.7	124.1	168	-73.2	175.9	-13.5	0	0	108	V29	Q27-V29 PolarHBondContact O-N 3.04Å
28	A	79.5	Confident	71.1	Confident	93 Å²	93	133.3 Å²	133.3	77%	0.769	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.2	131.6	175.3	0	0	0	0	0	109.6	S26 K30	S26-A28 PolarHBondContact O-N 2.94Å; A28-K30 PolarHBondContact O-N 3.46Å
29	V	83.6	Confident	73.6	Confident	147 Å²	147	127.4 Å²	127.4	89%	0.891	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63	123.3	179.8	179.4	0	0	0	0	108.9	Q27	Q27-V29 PolarHBondContact O-N 3.04Å
30	K	87.7	Confident	76.1	Confident	145 Å²	145	122.3 Å²	122.3	63%	0.63	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-77.9	153.8	173.9	-67.9	-175.6	177.8	-179.8	0	110.7	A28 E291	A28-K30 PolarHBondContact O-N 3.46Å; K30-E291 IonicContact NZ-OE2 2.59Å; K30-E291 PolarHBondContact NZ-OE2 3.3Å
31	P	93.8	Very high	78.5	Confident	120 Å²	120	121.2 Å²	121.2	78%	0.779	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-55.4	151.5	171.3	-24.2	34.2	0	0	0	112.5	F33	P31-F33 PolarHBondContact O-N 3.44Å
32	F	95.5	Very high	81	Confident	191 Å²	191	115.4 Å²	115.4	84%	0.838	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-62.2	132.8	175.9	171.2	-102.9	0	0	0	111.2
33	F	94.8	Very high	83.3	Confident	117 Å²	117	107.4 Å²	107.4	51%	0.513	59%	0.585	S	S	.	*			trans	-143.6	123	175.7	-177.7	-93.5	0	0	0	109.3	P31 Q35 H292	P31-F33 PolarHBondContact O-N 3.44Å; F33-Q35 HydrophobicContact CD1-CB 4.49Å; F33-Q35 HydrophobicContact CD1-CG 4.49Å; F33-Q35 HydrophobicContact CE1-CB 3.86Å; F33-Q35 HydrophobicContact CE1-CG 4.13Å; F33-H292 HydrophobicContact CD1-CB 4.14Å; F33-H292 AromaticContact CD1-CD2 3.55Å; F33-H292 AromaticContact CD1-CE1 3.74Å; F33-H292 AromaticContact CD1-CG 3.51Å; F33-H292 AromaticContact CD1-ND1 3.63Å; F33-H292 AromaticContact CD1-NE2 3.71Å; F33-H292 HydrophobicContact CE1-CB 4.27Å; F33-H292 AromaticContact CE1-CD2 3.46Å; F33-H292 VanDerWaalsContact CE1-CD2 3.46Å; F33-H292 WeakPolarHBondContact CE1-CD2 3.46Å; F33-H292 AromaticContact CE1-CG 3.78Å; F33-H292 AromaticContact CE1-NE2 3.89Å; F33-H292 AromaticContact CG-CE1 3.9Å
34	Y	96.1	Very high	85.4	Confident	168 Å²	168	100.6 Å²	100.6	66%	0.659	55%	0.55	S	S	*	*			trans	-99.3	136.7	175.1	168.7	-103	0	0	0	110.6
35	Q	94.6	Very high	87.5	Confident	31 Å²	31	98.9 Å²	98.9	15%	0.145	53%	0.525	C	S	.	.			trans	-145.9	148.5	166.3	60.8	172.8	31	0	0	110.3	F33 N290 H292	F33-Q35 HydrophobicContact CD1-CB 4.49Å; F33-Q35 HydrophobicContact CD1-CG 4.49Å; F33-Q35 HydrophobicContact CE1-CB 3.86Å; F33-Q35 HydrophobicContact CE1-CG 4.13Å; Q35-N290 PolarHBondContact NE2-OD1 3.48Å; Q35-N290 PolarHBondContact OE1-ND2 3.37Å; Q35-H292 HydrophobicContact CG-CB 4.08Å; Q35-H292 PolarHBondContact NE2-O 3.27Å
36	D	94.8	Very high	89.4	Confident	83 Å²	83	96.3 Å²	96.3	44%	0.444	50%	0.504	S	S	.	.			trans	-69.7	139.9	168	-164.3	-72.6	0	0	0	109.9	L38	D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 WeakPolarHBondContact OD1-CA 3.49Å; D36-L38 PolarHBondContact OD1-N 2.83Å
37	I	97.8	Very high	91.2	Very high	52 Å²	52	97.5 Å²	97.5	27%	0.267	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-42.5	177.7	-65	175.4	0	0	0	110.1	Q39 T265 F269 A295 L332 P333	I37-Q39 VanDerWaalsContact C-N 3.34Å; I37-Q39 PolarHBondContact O-N 3.01Å; I37-T265 HydrophobicContact CD1-CG2 4.02Å; I37-F269 HydrophobicContact CG2-CE1 4.18Å; I37-F269 HydrophobicContact CG2-CZ 4.27Å; I37-A295 HydrophobicContact CG2-CB 4.34Å; I37-A295 WeakPolarHBondContact O-CA 3.37Å; I37-A295 WeakPolarHBondContact O-CB 3.45Å; I37-A295 PolarHBondContact O-N 2.9Å; I37-L332 HydrophobicContact CG2-CD2 4.18Å; I37-P333 HydrophobicContact CD1-CG 4.4Å; I37-P333 HydrophobicContact CG2-CG 4.05Å
38	L	97.2	Very high	92.5	Very high	34 Å²	34	90 Å²	90	18%	0.178	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	51.9	-180	-59.4	179.1	0	0	0	110.5	D36 L40 F269 T273 L282 A295 L332	D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 WeakPolarHBondContact OD1-CA 3.49Å; D36-L38 PolarHBondContact OD1-N 2.83Å; L38-L40 PolarHBondContact O-N 2.66Å; L38-F269 HydrophobicContact CD1-CZ 4.23Å; L38-F269 HydrophobicContact CG-CZ 4.26Å; L38-T273 HydrophobicContact CD2-CG2 4.47Å; L38-L282 HydrophobicContact CD1-CD2 4.34Å; L38-A295 HydrophobicContact CD2-CB 3.78Å; L38-L332 HydrophobicContact CD2-CD2 3.98Å
39	Q	93.8	Very high	93.3	Very high	86 Å²	86	89.5 Å²	89.5	40%	0.402	45%	0.453	S	S	.	.			trans	-67.1	100.7	177.7	-175.1	-176.3	33	0	0	110.9	I37 P286	I37-Q39 VanDerWaalsContact C-N 3.34Å; I37-Q39 PolarHBondContact O-N 3.01Å; Q39-P286 WeakPolarHBondContact O-CD 3.49Å
40	L	95.7	Very high	94	Very high	42 Å²	42	84.7 Å²	84.7	22%	0.22	42%	0.421	C	S	.	.			trans	-80.5	139.4	174.9	-56.8	170.6	0	0	0	110.7	L38 K42 P44 L282 H284 L285	L38-L40 PolarHBondContact O-N 2.66Å; L40-K42 VanDerWaalsContact C-N 3.28Å; L40-K42 WeakPolarHBondContact CB-O 3.41Å; L40-P44 HydrophobicContact CD1-CG 3.57Å; L40-L282 HydrophobicContact CD2-CD2 4.3Å; L40-H284 HydrophobicContact CB-CB 4.44Å; L40-H284 HydrophobicContact CD2-CB 4.46Å; L40-L285 HydrophobicContact CD2-CB 4.44Å; L40-L285 HydrophobicContact CD2-CD2 3.79Å; L40-L285 HydrophobicContact CD2-CG 3.72Å
41	E	95.7	Very high	94.5	Very high	134 Å²	134	80.6 Å²	80.6	63%	0.626	40%	0.401	S	S	*	.	S	Bend	trans	-69.5	-30.1	175	-64.1	-179.1	153.5	0	0	111.9	H284 P286	E41-H284 PolarHBondContact N-O 2.97Å; E41-P286 HydrophobicContact CG-CB 4.23Å; E41-P286 WeakPolarHBondContact OE1-CA 3.35Å
42	K	94.5	Very high	94.7	Very high	101 Å²	101	80.4 Å²	80.4	44%	0.439	39%	0.388	S	S	.	.	S	Bend	trans	-136.8	149.2	172.6	-60.2	178.5	-172.9	177.3	0	108.6	L40 A46 E47 H284	L40-K42 VanDerWaalsContact C-N 3.28Å; L40-K42 WeakPolarHBondContact CB-O 3.41Å; K42-A46 HydrophobicContact CB-CB 3.81Å; K42-A46 HydrophobicContact CD-CB 4.19Å; K42-E47 IonicContact NZ-OE1 3.04Å; K42-E47 PolarHBondContact NZ-OE1 3.43Å; K42-H284 HydrophobicContact CB-CB 4.23Å; K42-H284 VanDerWaalsContact O-CB 3.29Å; K42-H284 WeakPolarHBondContact O-CB 3.36Å; K42-H284 PolarHBondContact O-ND1 3.29Å
43	P	92.1	Very high	94.9	Very high	59 Å²	59	73 Å²	73	38%	0.383	36%	0.357	S	S	.	.			trans	-53.2	151.7	171.7	-25.7	34.6	0	0	0	111.9	Y45 A46 H284	P43-Y45 HydrophobicContact CB-CD1 4.26Å; P43-Y45 HydrophobicContact CB-CD2 3.47Å; P43-Y45 VanDerWaalsContact CB-CD2 3.47Å; P43-Y45 HydrophobicContact CB-CE1 3.95Å; P43-Y45 HydrophobicContact CB-CE2 3.17Å; P43-Y45 HydrophobicContact CB-CG 4.07Å; P43-Y45 VanDerWaalsContact CB-CZ 3.45Å; P43-Y45 HydrophobicContact CG-CD2 4.37Å; P43-Y45 HydrophobicContact CG-CE2 3.75Å; P43-Y45 PolarHBondContact O-N 3.02Å; P43-A46 WeakPolarHBondContact O-CB 3.42Å; P43-A46 PolarHBondContact O-N 2.84Å; P43-A46 VanDerWaalsContact O-N 3.08Å; P43-H284 PolarHBondContact O-CE1 2.78Å; P43-H284 PolarHBondContact O-ND1 3.19Å
44	P	89.8	Confident	95	Very high	20 Å²	20	68.7 Å²	68.7	13%	0.13	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.6	-177.9	-22	29.6	0	0	0	114	L40 Y281	L40-P44 HydrophobicContact CD1-CG 3.57Å; P44-Y281 HydrophobicContact CB-CD2 3.99Å; P44-Y281 HydrophobicContact CB-CE1 4.46Å; P44-Y281 HydrophobicContact CB-CE2 3.86Å; P44-Y281 HydrophobicContact CB-CG 4.38Å; P44-Y281 HydrophobicContact CG-CD1 4.23Å; P44-Y281 HydrophobicContact CG-CD2 4.19Å; P44-Y281 HydrophobicContact CG-CE1 3.68Å; P44-Y281 HydrophobicContact CG-CE2 3.68Å; P44-Y281 HydrophobicContact CG-CG 4.44Å
45	Y	89.1	Confident	95.1	Very high	52 Å²	52	62 Å²	62	20%	0.204	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5.6	-173.1	47.9	-120	0	0	0	114.4	P43 E47 T48 E206 N208 R356	P43-Y45 HydrophobicContact CB-CD1 4.26Å; P43-Y45 HydrophobicContact CB-CD2 3.47Å; P43-Y45 VanDerWaalsContact CB-CD2 3.47Å; P43-Y45 HydrophobicContact CB-CE1 3.95Å; P43-Y45 HydrophobicContact CB-CE2 3.17Å; P43-Y45 HydrophobicContact CB-CG 4.07Å; P43-Y45 VanDerWaalsContact CB-CZ 3.45Å; P43-Y45 HydrophobicContact CG-CD2 4.37Å; P43-Y45 HydrophobicContact CG-CE2 3.75Å; P43-Y45 PolarHBondContact O-N 3.02Å; Y45-E47 PolarHBondContact O-N 3.26Å; Y45-T48 PolarHBondContact O-N 3.33Å; Y45-E206 PolarHBondContact OH-OE2 3.41Å; Y45-N208 HydrophobicContact CE1-CB 4.3Å; Y45-N208 WeakPolarHBondContact CE1-OD1 3.38Å; Y45-R356 VanDerWaalsContact CE2-NH2 3.34Å
46	A	90.5	Very high	95.2	Very high	53 Å²	53	67.6 Å²	67.6	44%	0.438	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30	-170.4	0	0	0	0	0	113.9	K42 P43	K42-A46 HydrophobicContact CB-CB 3.81Å; K42-A46 HydrophobicContact CD-CB 4.19Å; P43-A46 WeakPolarHBondContact O-CB 3.42Å; P43-A46 PolarHBondContact O-N 2.84Å; P43-A46 VanDerWaalsContact O-N 3.08Å
47	E	90.9	Very high	95.3	Very high	131 Å²	131	65.6 Å²	65.6	61%	0.612	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	10.2	-177.3	-60.8	176.2	-173.5	0	0	111.3	K42 Y45	K42-E47 IonicContact NZ-OE1 3.04Å; K42-E47 PolarHBondContact NZ-OE1 3.43Å; Y45-E47 PolarHBondContact O-N 3.26Å
48	T	94.7	Very high	95.3	Very high	31 Å²	31	64 Å²	64	19%	0.19	34%	0.336	C	S	.	.			trans	-91.3	124.4	-176.1	-55.5	0	0	0	0	110.4	Y45 F50 L354 E365	Y45-T48 PolarHBondContact O-N 3.33Å; T48-F50 HydrophobicContact CG2-CD2 4.42Å; T48-F50 HydrophobicContact CG2-CE2 3.89Å; T48-F50 HydrophobicContact CG2-CZ 4.09Å; T48-F50 WeakPolarHBondContact O-CD2 3.48Å; T48-F50 WeakPolarHBondContact O-CE2 3.34Å; T48-L354 HydrophobicContact CG2-CD1 4.19Å; T48-E365 HydrophobicContact CG2-CB 3.73Å; T48-E365 HydrophobicContact CG2-CG 3.5Å; T48-E365 VanDerWaalsContact CG2-CG 3.5Å
49	P	97.2	Very high	95.3	Very high	82 Å²	82	64.1 Å²	64.1	53%	0.532	34%	0.339	S	S	.	.			trans	-70.3	138	170.9	29.3	-33.2	0	0	0	110.3	E365 Q366	P49-E365 CarbonylContact O-C 3.6Å; P49-E365 WeakPolarHBondContact O-CA 3.32Å; P49-Q366 HydrophobicContact CB-CB 4.32Å; P49-Q366 HydrophobicContact CG-CB 4.38Å; P49-Q366 PolarHBondContact O-N 3.19Å
50	F	97.9	Very high	95.4	Very high	47 Å²	47	63.2 Å²	63.2	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.7	177.4	-75	-93.6	0	0	0	111.1	T48 L354 R356 F363 L364 E365	T48-F50 HydrophobicContact CG2-CD2 4.42Å; T48-F50 HydrophobicContact CG2-CE2 3.89Å; T48-F50 HydrophobicContact CG2-CZ 4.09Å; T48-F50 WeakPolarHBondContact O-CD2 3.48Å; T48-F50 WeakPolarHBondContact O-CE2 3.34Å; F50-L354 HydrophobicContact CE1-CB 4.13Å; F50-L354 HydrophobicContact CZ-CB 3.98Å; F50-R356 HydrophobicContact CD1-CG 4.08Å; F50-R356 HydrophobicContact CE1-CG 4.02Å; F50-F363 HydrophobicContact CB-CB 4.07Å; F50-F363 HydrophobicContact CD1-CB 3.97Å; F50-F363 HydrophobicContact CG-CB 4.34Å; F50-L364 CarbonylContact C-O 3.54Å; F50-L364 VanDerWaalsContact CA-O 3.28Å; F50-L364 WeakPolarHBondContact CA-O 2.99Å; F50-E365 HydrophobicContact CE1-CB 4.37Å
51	R	97.9	Very high	95.3	Very high	59 Å²	59	68 Å²	68	22%	0.223	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.2	163.3	65.8	-172.9	-173.1	91.5	-5.3	109.9	L53 D86 F363 L364 Q366	R51-L53 HydrophobicContact CG-CD2 4.49Å; R51-D86 IonicContact CZ-OD2 3.76Å; R51-D86 IonicContact NE-OD2 3.65Å; R51-D86 PolarHBondContact NE-OD2 3.04Å; R51-D86 VanDerWaalsContact NH2-CG 3.34Å; R51-D86 IonicContact NH2-OD1 2.87Å; R51-D86 PolarHBondContact NH2-OD1 2.82Å; R51-D86 IonicContact NH2-OD2 3.79Å; R51-D86 PolarHBondContact NH2-OD2 3.41Å; R51-F363 VanDerWaalsContact O-CA 3.3Å; R51-F363 WeakPolarHBondContact O-CA 3.19Å; R51-L364 HydrophobicContact CG-CB 4.43Å; R51-L364 PolarHBondContact N-O 2.64Å; R51-L364 PolarHBondContact O-N 2.92Å; R51-Q366 VanDerWaalsContact CD-OE1 3.31Å
52	K	98.4	Very high	95.2	Very high	115 Å²	115	67.8 Å²	67.8	50%	0.5	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.4	173.4	-170.2	175.2	-176.7	172.5	0	109.3	D360 F363	K52-D360 WeakPolarHBondContact CE-O 3.49Å; K52-D360 PolarHBondContact NZ-O 2.95Å; K52-F363 HydrophobicContact CB-CD1 3.74Å; K52-F363 HydrophobicContact CB-CE1 3.69Å; K52-F363 HydrophobicContact CD-CE1 3.93Å; K52-F363 HydrophobicContact CD-CZ 4.14Å; K52-F363 HydrophobicContact CG-CD1 4Å; K52-F363 HydrophobicContact CG-CE1 3.67Å; K52-F363 HydrophobicContact CG-CZ 4.11Å
53	L	98.5	Very high	95.1	Very high	37 Å²	37	68.6 Å²	68.6	19%	0.194	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-47.3	175.5	-59.2	-172.9	0	0	0	111.5	R51 L78 L79 Q82 V362 L364	R51-L53 HydrophobicContact CG-CD2 4.49Å; L53-L78 HydrophobicContact CB-CD2 4.29Å; L53-L78 HydrophobicContact CD1-CG 4.38Å; L53-L79 HydrophobicContact CD1-CD1 3.95Å; L53-Q82 HydrophobicContact CD1-CB 3.99Å; L53-Q82 HydrophobicContact CD1-CG 4.08Å; L53-Q82 HydrophobicContact CD2-CB 4.37Å; L53-Q82 HydrophobicContact CD2-CG 4.28Å; L53-V362 HydrophobicContact CB-CB 4.32Å; L53-V362 HydrophobicContact CB-CG1 4.31Å; L53-V362 HydrophobicContact CD1-CG1 3.94Å; L53-V362 HydrophobicContact CG-CG1 4.41Å; L53-V362 PolarHBondContact N-O 3.04Å; L53-L364 HydrophobicContact CD1-CB 4.27Å; L53-L364 HydrophobicContact CD2-CB 4.25Å; L53-L364 HydrophobicContact CG-CB 4.29Å
54	T	98.4	Very high	95	Very high	25 Å²	25	71.8 Å²	71.8	15%	0.153	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	158.4	179.8	179.5	0	0	0	0	110.5	D56 L57 L78 G361 V362	T54-D56 PolarHBondContact OG1-N 2.71Å; T54-L57 HydrophobicContact CG2-CB 4.43Å; T54-L57 HydrophobicContact CG2-CD1 3.86Å; T54-L57 HydrophobicContact CG2-CG 4.03Å; T54-L78 HydrophobicContact CG2-CD2 3.65Å; T54-G361 VanDerWaalsContact O-CA 3.28Å; T54-G361 WeakPolarHBondContact O-CA 3.39Å; T54-V362 HydrophobicContact CG2-CB 4.1Å; T54-V362 HydrophobicContact CG2-CG2 3.92Å; T54-V362 PolarHBondContact O-N 2.91Å
55	G	97.6	Very high	95.1	Very high	29 Å²	29	77.8 Å²	77.8	30%	0.299	40%	0.399	S	S	.	.	S	Bend	trans	-104.9	-8.8	167.2	0	0	0	0	0	114.3
56	D	96.4	Very high	95.2	Very high	147 Å²	147	78.8 Å²	78.8	79%	0.786	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.5	-161.9	-55.7	-33.9	0	0	0	114.1	T54	T54-D56 PolarHBondContact OG1-N 2.71Å
57	L	97.4	Very high	95.4	Very high	42 Å²	42	85 Å²	85	22%	0.22	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	16.7	-170.6	-56.8	178.3	0	0	0	113.6	T54 D72 M74 A75 L78	T54-L57 HydrophobicContact CG2-CB 4.43Å; T54-L57 HydrophobicContact CG2-CD1 3.86Å; T54-L57 HydrophobicContact CG2-CG 4.03Å; L57-D72 HydrophobicContact CB-CB 4.2Å; L57-D72 HydrophobicContact CD2-CB 4.34Å; L57-D72 PolarHBondContact O-N 2.84Å; L57-M74 HydrophobicContact CD1-CB 4.14Å; L57-M74 HydrophobicContact CD2-CB 4.29Å; L57-A75 HydrophobicContact CB-CB 3.82Å; L57-A75 HydrophobicContact CD1-CB 4.19Å; L57-L78 HydrophobicContact CD1-CD2 4.17Å
58	V	97.6	Very high	95.6	Very high	19 Å²	19	79.3 Å²	79.3	12%	0.115	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.1	177.8	-61.5	0	0	0	0	110.2	L69 K70 V71 I357 N359	V58-L69 HydrophobicContact CB-CD1 4.03Å; V58-L69 HydrophobicContact CG1-CD1 4.49Å; V58-K70 CarbonylContact C-O 3.54Å; V58-K70 WeakPolarHBondContact CA-O 3.3Å; V58-V71 HydrophobicContact CG1-CG2 4.37Å; V58-I357 HydrophobicContact CG1-CG2 3.45Å; V58-I357 VanDerWaalsContact CG1-CG2 3.45Å; V58-N359 WeakPolarHBondContact CG2-O 3.27Å
59	S	96.9	Very high	95.7	Very high	35 Å²	35	77.8 Å²	77.8	25%	0.245	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	147.2	170.5	59.6	0	0	0	0	111	K70	S59-K70 PolarHBondContact N-O 3.21Å; S59-K70 PolarHBondContact O-N 3.26Å
60	L	96.3	Very high	95.8	Very high	67 Å²	67	78.8 Å²	78.8	35%	0.351	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.8	168.6	-70.4	170.1	0	0	0	110.5	L68 L69 N359	L60-L68 WeakPolarHBondContact CA-O 3.41Å; L60-L69 HydrophobicContact CD2-CD1 4.42Å; L60-N359 HydrophobicContact CD1-CB 4.22Å; L60-N359 VanDerWaalsContact CD1-CG 3.42Å; L60-N359 WeakPolarHBondContact CD1-OD1 3.09Å; L60-N359 HydrophobicContact CD2-CB 4.3Å; L60-N359 HydrophobicContact CG-CB 4.27Å; L60-N359 WeakPolarHBondContact CG-OD1 3.26Å
61	R	94.1	Very high	95.8	Very high	144 Å²	144	76.5 Å²	76.5	54%	0.543	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.4	167.7	-65.4	-65.3	-178.9	-98.7	2.6	108.2	L68 K70	R61-L68 PolarHBondContact N-O 3.28Å; R61-L68 PolarHBondContact O-N 3.22Å; R61-K70 HydrophobicContact CG-CB 4.37Å
62	E	93.3	Very high	95.8	Very high	129 Å²	129	76.8 Å²	76.8	60%	0.603	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.5	175.3	-166.8	170.6	155.5	0	0	108.7	I66	E62-I66 WeakPolarHBondContact CA-O 3.4Å
63	F	90.9	Very high	95.7	Very high	118 Å²	118	72.3 Å²	72.3	52%	0.518	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	120.6	175.3	-176.1	-93.6	0	0	0	107.7	N65 I66 L68	F63-N65 VanDerWaalsContact C-N 3.29Å; F63-N65 PolarHBondContact O-N 2.89Å; F63-I66 PolarHBondContact N-O 2.9Å; F63-I66 WeakPolarHBondContact O-CA 3.24Å; F63-I66 VanDerWaalsContact O-CB 3.31Å; F63-I66 WeakPolarHBondContact O-CB 3.36Å; F63-I66 PolarHBondContact O-N 2.78Å; F63-L68 HydrophobicContact CB-CD1 3.58Å; F63-L68 HydrophobicContact CB-CG 4.47Å; F63-L68 HydrophobicContact CG-CD1 4.47Å
64	D	91.7	Very high	95.7	Very high	126 Å²	126	75.1 Å²	75.1	67%	0.674	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	45	-176.4	-65.2	-17.9	0	0	0	114.2	I66	D64-I66 PolarHBondContact O-N 3.02Å
65	N	90.6	Very high	95.7	Very high	145 Å²	145	74 Å²	74	78%	0.775	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	12.9	-175.7	-49.7	-66.7	0	0	0	115.3	F63	F63-N65 VanDerWaalsContact C-N 3.29Å; F63-N65 PolarHBondContact O-N 2.89Å
66	I	92.1	Very high	95.7	Very high	73 Å²	73	72.7 Å²	72.7	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.5	173.6	-58.1	176	0	0	0	108.6	E62 F63 D64 L68 F149	E62-I66 WeakPolarHBondContact CA-O 3.4Å; F63-I66 PolarHBondContact N-O 2.9Å; F63-I66 WeakPolarHBondContact O-CA 3.24Å; F63-I66 VanDerWaalsContact O-CB 3.31Å; F63-I66 WeakPolarHBondContact O-CB 3.36Å; F63-I66 PolarHBondContact O-N 2.78Å; D64-I66 PolarHBondContact O-N 3.02Å; I66-L68 HydrophobicContact CG2-CD2 4.05Å; I66-L68 PolarHBondContact O-N 3.49Å; I66-F149 HydrophobicContact CD1-CE1 4.27Å; I66-F149 HydrophobicContact CG2-CD1 3.35Å; I66-F149 HydrophobicContact CG2-CE1 3.44Å; I66-F149 VanDerWaalsContact CG2-CE1 3.44Å; I66-F149 HydrophobicContact CG2-CG 3.96Å; I66-F149 HydrophobicContact CG2-CZ 4.11Å
67	R	93.7	Very high	95.8	Very high	185 Å²	185	66.1 Å²	66.1	70%	0.698	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	111.3	173	-68.8	-175.1	-177.2	173.3	1.8	110
68	L	96	Very high	95.9	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.6	176.6	-58.4	171.6	0	0	0	109.6	L60 R61 F63 I66 F149 W151	L60-L68 WeakPolarHBondContact CA-O 3.41Å; R61-L68 PolarHBondContact N-O 3.28Å; R61-L68 PolarHBondContact O-N 3.22Å; F63-L68 HydrophobicContact CB-CD1 3.58Å; F63-L68 HydrophobicContact CB-CG 4.47Å; F63-L68 HydrophobicContact CG-CD1 4.47Å; I66-L68 HydrophobicContact CG2-CD2 4.05Å; I66-L68 PolarHBondContact O-N 3.49Å; L68-F149 CarbonylContact C-O 3.58Å; L68-F149 WeakPolarHBondContact CA-O 3.39Å; L68-F149 HydrophobicContact CD2-CB 4.05Å; L68-F149 HydrophobicContact CD2-CD1 4.03Å; L68-W151 HydrophobicContact CD1-CD2 3.86Å; L68-W151 HydrophobicContact CD1-CE3 3.86Å; L68-W151 HydrophobicContact CD1-CH2 3.44Å; L68-W151 VanDerWaalsContact CD1-CH2 3.44Å; L68-W151 HydrophobicContact CD1-CZ2 3.44Å; L68-W151 VanDerWaalsContact CD1-CZ2 3.44Å; L68-W151 HydrophobicContact CD1-CZ3 3.66Å; L68-W151 HydrophobicContact CD2-CZ2 4.2Å; L68-W151 HydrophobicContact CG-CZ2 4.46Å
69	L	97.7	Very high	96	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	105.1	166.5	-178.9	64.2	0	0	0	108.5	V58 L60 V71 F149 V150 W151 S205 I357 N359	V58-L69 HydrophobicContact CB-CD1 4.03Å; V58-L69 HydrophobicContact CG1-CD1 4.49Å; L60-L69 HydrophobicContact CD2-CD1 4.42Å; L69-V71 HydrophobicContact CD2-CG2 3.98Å; L69-V71 HydrophobicContact CG-CG2 3.83Å; L69-F149 PolarHBondContact N-O 2.95Å; L69-V150 HydrophobicContact CB-CG2 4.41Å; L69-V150 HydrophobicContact CD2-CG2 4.31Å; L69-V150 CarbonylContact O-C 3.46Å; L69-V150 WeakPolarHBondContact O-CA 3.44Å; L69-W151 PolarHBondContact O-N 3.49Å; L69-S205 WeakPolarHBondContact CD2-O 3.32Å; L69-I357 HydrophobicContact CD2-CG2 4.36Å; L69-N359 HydrophobicContact CD1-CB 4.36Å
70	K	97.5	Very high	96.1	Very high	102 Å²	102	64 Å²	64	44%	0.443	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.5	168.7	-172.3	-179	179	-174.9	0	108.8	V58 S59 R61 W151	V58-K70 CarbonylContact C-O 3.54Å; V58-K70 WeakPolarHBondContact CA-O 3.3Å; S59-K70 PolarHBondContact N-O 3.21Å; S59-K70 PolarHBondContact O-N 3.26Å; R61-K70 HydrophobicContact CG-CB 4.37Å; K70-W151 CarbonylContact C-O 3.24Å; K70-W151 WeakPolarHBondContact CA-O 3.47Å
71	V	98.1	Very high	96.2	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	-179.7	178.7	0	0	0	0	108.2	V58 L69 A75 V150 W151 T152 I357	V58-V71 HydrophobicContact CG1-CG2 4.37Å; L69-V71 HydrophobicContact CD2-CG2 3.98Å; L69-V71 HydrophobicContact CG-CG2 3.83Å; V71-A75 HydrophobicContact CG1-CB 3.67Å; V71-V150 HydrophobicContact CB-CG1 4.49Å; V71-V150 HydrophobicContact CG2-CG1 3.7Å; V71-W151 PolarHBondContact N-O 3.46Å; V71-T152 HydrophobicContact CB-CG2 4.03Å; V71-T152 HydrophobicContact CG1-CG2 4.31Å; V71-T152 WeakPolarHBondContact O-CA 3.27Å; V71-I357 HydrophobicContact CG1-CD1 3.86Å; V71-I357 HydrophobicContact CG1-CG2 4.01Å; V71-I357 HydrophobicContact CG2-CG2 3.7Å
72	D	97.6	Very high	96.4	Very high	64 Å²	64	58.5 Å²	58.5	34%	0.342	28%	0.28	S	S	.	.			trans	-72.2	141.5	173.8	-168.4	-73.9	0	0	0	110.6	L57 M74 A75 D153	L57-D72 HydrophobicContact CB-CB 4.2Å; L57-D72 HydrophobicContact CD2-CB 4.34Å; L57-D72 PolarHBondContact O-N 2.84Å; D72-M74 PolarHBondContact O-N 2.9Å; D72-M74 VanDerWaalsContact O-N 3.16Å; D72-M74 VanDerWaalsContact OD1-CB 3.22Å; D72-M74 WeakPolarHBondContact OD1-CB 3.25Å; D72-M74 PolarHBondContact OD1-N 3.46Å; D72-A75 WeakPolarHBondContact O-CA 3.48Å; D72-A75 WeakPolarHBondContact O-CB 3.2Å; D72-A75 PolarHBondContact O-N 3.16Å; D72-D153 WeakPolarHBondContact CA-OD1 3.37Å
73	S	97.6	Very high	96.7	Very high	22 Å²	22	52.3 Å²	52.3	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-27.3	179.9	54.2	0	0	0	0	112.5	A75 L76 T77 D153 S159	S73-A75 PolarHBondContact O-N 3.34Å; S73-L76 PolarHBondContact O-N 2.84Å; S73-T77 PolarHBondContact O-N 2.92Å; S73-T77 PolarHBondContact O-OG1 3.49Å; S73-D153 WeakPolarHBondContact CB-OD1 3.18Å; S73-D153 WeakPolarHBondContact CB-OD2 3.4Å; S73-D153 PolarHBondContact N-OD1 3.27Å; S73-D153 PolarHBondContact OG-OD2 3.24Å; S73-S159 WeakPolarHBondContact CB-OG 3.31Å
74	M	97.8	Very high	97	Very high	96 Å²	96	46.9 Å²	46.9	47%	0.473	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-25.7	169.9	-70.6	-69.1	96.7	0	0	113.4	L57 D72 L76 T77 L78	L57-M74 HydrophobicContact CD1-CB 4.14Å; L57-M74 HydrophobicContact CD2-CB 4.29Å; D72-M74 PolarHBondContact O-N 2.9Å; D72-M74 VanDerWaalsContact O-N 3.16Å; D72-M74 VanDerWaalsContact OD1-CB 3.22Å; D72-M74 WeakPolarHBondContact OD1-CB 3.25Å; D72-M74 PolarHBondContact OD1-N 3.46Å; M74-L76 VanDerWaalsContact C-N 3.34Å; M74-T77 HydrophobicContact CE-CG2 4.2Å; M74-T77 WeakPolarHBondContact CE-OG1 3.5Å; M74-T77 PolarHBondContact O-N 2.95Å; M74-L78 VanDerWaalsContact O-CB 3.24Å; M74-L78 WeakPolarHBondContact O-CB 3.33Å; M74-L78 PolarHBondContact O-N 3.34Å
75	A	98.5	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-41.9	173.4	0	0	0	0	0	111.2	L57 V71 D72 S73 L79 I357 V362	L57-A75 HydrophobicContact CB-CB 3.82Å; L57-A75 HydrophobicContact CD1-CB 4.19Å; V71-A75 HydrophobicContact CG1-CB 3.67Å; D72-A75 WeakPolarHBondContact O-CA 3.48Å; D72-A75 WeakPolarHBondContact O-CB 3.2Å; D72-A75 PolarHBondContact O-N 3.16Å; S73-A75 PolarHBondContact O-N 3.34Å; A75-L79 WeakPolarHBondContact O-CB 3.29Å; A75-L79 PolarHBondContact O-N 2.91Å; A75-I357 HydrophobicContact CB-CD1 4.07Å; A75-V362 HydrophobicContact CB-CG2 3.74Å
76	L	98.7	Very high	97.8	Very high	2 Å²	2	35 Å²	35	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-39.5	177.8	-58.6	179.7	0	0	0	111.5	S73 M74 S80 T152 D156 I160 Y207 F209 I357	S73-L76 PolarHBondContact O-N 2.84Å; M74-L76 VanDerWaalsContact C-N 3.34Å; L76-S80 WeakPolarHBondContact O-CB 3.35Å; L76-S80 PolarHBondContact O-N 2.78Å; L76-S80 PolarHBondContact O-OG 2.92Å; L76-T152 HydrophobicContact CD1-CG2 4.17Å; L76-D156 HydrophobicContact CD1-CB 3.82Å; L76-I160 HydrophobicContact CB-CG1 4.21Å; L76-Y207 HydrophobicContact CD2-CD1 4.19Å; L76-Y207 HydrophobicContact CD2-CE1 3.99Å; L76-F209 HydrophobicContact CD2-CE1 4.13Å; L76-F209 HydrophobicContact CD2-CE2 4.35Å; L76-F209 HydrophobicContact CD2-CZ 3.48Å; L76-F209 VanDerWaalsContact CD2-CZ 3.48Å; L76-I357 HydrophobicContact CD2-CD1 3.81Å
77	T	98.7	Very high	98.1	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-53.2	175.4	-59.2	0	0	0	0	110.7	S73 M74 L79 S80 E81 S159 R162 G163	S73-T77 PolarHBondContact O-N 2.92Å; S73-T77 PolarHBondContact O-OG1 3.49Å; M74-T77 HydrophobicContact CE-CG2 4.2Å; M74-T77 WeakPolarHBondContact CE-OG1 3.5Å; M74-T77 PolarHBondContact O-N 2.95Å; T77-L79 PolarHBondContact O-N 3.29Å; T77-S80 PolarHBondContact O-N 3.36Å; T77-S80 PolarHBondContact O-OG 3.06Å; T77-S80 VanDerWaalsContact O-OG 3.09Å; T77-E81 VanDerWaalsContact O-CB 3.28Å; T77-E81 WeakPolarHBondContact O-CB 3.47Å; T77-E81 PolarHBondContact O-N 3.02Å; T77-S159 WeakPolarHBondContact CA-O 3.35Å; T77-S159 PolarHBondContact OG1-O 3.37Å; T77-R162 HydrophobicContact CG2-CB 4.21Å; T77-R162 HydrophobicContact CG2-CG 3.75Å; T77-G163 WeakPolarHBondContact O-CA 2.95Å
78	L	98.7	Very high	98.3	Very high	51 Å²	51	23.1 Å²	23.1	27%	0.267	12%	0.116	S	C	.	.	H	α-helix	trans	-59.5	-46.2	178.2	175.9	63.5	0	0	0	112	L53 T54 L57 M74 E81 Q82	L53-L78 HydrophobicContact CB-CD2 4.29Å; L53-L78 HydrophobicContact CD1-CG 4.38Å; T54-L78 HydrophobicContact CG2-CD2 3.65Å; L57-L78 HydrophobicContact CD1-CD2 4.17Å; M74-L78 VanDerWaalsContact O-CB 3.24Å; M74-L78 WeakPolarHBondContact O-CB 3.33Å; M74-L78 PolarHBondContact O-N 3.34Å; L78-E81 PolarHBondContact O-N 3.06Å; L78-Q82 HydrophobicContact CD1-CG 3.97Å; L78-Q82 WeakPolarHBondContact O-CB 3.42Å; L78-Q82 VanDerWaalsContact O-CG 3.31Å; L78-Q82 WeakPolarHBondContact O-CG 3.41Å; L78-Q82 PolarHBondContact O-N 2.87Å
79	L	98.8	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-47.8	-178	-179	66.5	0	0	0	111.5	L53 A75 T77 A83 F209 F211 I357 V362 F363 L364	L53-L79 HydrophobicContact CD1-CD1 3.95Å; A75-L79 WeakPolarHBondContact O-CB 3.29Å; A75-L79 PolarHBondContact O-N 2.91Å; T77-L79 PolarHBondContact O-N 3.29Å; L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 2.77Å; L79-F209 HydrophobicContact CD2-CD2 3.43Å; L79-F209 VanDerWaalsContact CD2-CD2 3.43Å; L79-F209 HydrophobicContact CD2-CE2 3.63Å; L79-F209 HydrophobicContact CD2-CG 4.02Å; L79-F209 HydrophobicContact CD2-CZ 4.35Å; L79-F211 HydrophobicContact CD2-CE2 3.91Å; L79-F211 HydrophobicContact CD2-CZ 4.16Å; L79-F211 HydrophobicContact CG-CE2 3.8Å; L79-F211 HydrophobicContact CG-CZ 4.08Å; L79-I357 HydrophobicContact CD2-CD1 4.23Å; L79-I357 HydrophobicContact CD2-CG1 4.19Å; L79-V362 HydrophobicContact CB-CG1 3.91Å; L79-V362 HydrophobicContact CD1-CG1 3.81Å; L79-V362 HydrophobicContact CG-CG1 4.28Å; L79-F363 WeakPolarHBondContact CD1-O 3.46Å; L79-L364 HydrophobicContact CD1-CB 4.32Å; L79-L364 HydrophobicContact CD1-CD1 3.78Å
80	S	98.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.8	-34.4	-179.9	58	0	0	0	0	112.6	L76 T77 M84 I160 G163	L76-S80 WeakPolarHBondContact O-CB 3.35Å; L76-S80 PolarHBondContact O-N 2.78Å; L76-S80 PolarHBondContact O-OG 2.92Å; T77-S80 PolarHBondContact O-N 3.36Å; T77-S80 PolarHBondContact O-OG 3.06Å; T77-S80 VanDerWaalsContact O-OG 3.09Å; S80-M84 WeakPolarHBondContact O-CG 3.3Å; S80-M84 PolarHBondContact O-N 2.63Å; S80-M84 VanDerWaalsContact O-N 3.07Å; S80-I160 PolarHBondContact OG-O 2.87Å; S80-G163 WeakPolarHBondContact OG-CA 3.11Å
81	E	98.8	Very high	98.6	Very high	46 Å²	46	19.6 Å²	19.6	22%	0.215	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-53.4	173.9	-176	170.1	163.5	0	0	111.4	T77 L78 A83 M84 I85 G163 N166 T167	T77-E81 VanDerWaalsContact O-CB 3.28Å; T77-E81 WeakPolarHBondContact O-CB 3.47Å; T77-E81 PolarHBondContact O-N 3.02Å; L78-E81 PolarHBondContact O-N 3.06Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.39Å; E81-M84 PolarHBondContact O-N 3.32Å; E81-I85 HydrophobicContact CG-CD1 3.97Å; E81-I85 VanDerWaalsContact O-CG1 3.28Å; E81-I85 WeakPolarHBondContact O-CG1 3.44Å; E81-I85 PolarHBondContact O-N 2.96Å; E81-G163 WeakPolarHBondContact CA-O 3.45Å; E81-N166 HydrophobicContact CG-CB 4.26Å; E81-N166 VanDerWaalsContact OE2-CB 3.29Å; E81-N166 WeakPolarHBondContact OE2-CB 3.35Å; E81-N166 PolarHBondContact OE2-ND2 2.79Å; E81-T167 VanDerWaalsContact CA-OG1 3.25Å; E81-T167 WeakPolarHBondContact CA-OG1 3.37Å; E81-T167 WeakPolarHBondContact CG-OG1 3.32Å; E81-T167 PolarHBondContact O-OG1 3.26Å; E81-T167 VanDerWaalsContact O-OG1 3.08Å
82	Q	98.8	Very high	98.6	Very high	50 Å²	50	21 Å²	21	23%	0.234	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-39.4	178.4	-68.4	-64.3	-53.2	0	0	112	L53 L78 M84 I85 D86 L364	L53-Q82 HydrophobicContact CD1-CB 3.99Å; L53-Q82 HydrophobicContact CD1-CG 4.08Å; L53-Q82 HydrophobicContact CD2-CB 4.37Å; L53-Q82 HydrophobicContact CD2-CG 4.28Å; L78-Q82 HydrophobicContact CD1-CG 3.97Å; L78-Q82 WeakPolarHBondContact O-CB 3.42Å; L78-Q82 VanDerWaalsContact O-CG 3.31Å; L78-Q82 WeakPolarHBondContact O-CG 3.41Å; L78-Q82 PolarHBondContact O-N 2.87Å; Q82-M84 PolarHBondContact O-N 3.13Å; Q82-I85 PolarHBondContact O-N 3.36Å; Q82-D86 WeakPolarHBondContact O-CB 3.07Å; Q82-D86 PolarHBondContact O-N 2.91Å; Q82-L364 HydrophobicContact CB-CD2 3.94Å
83	A	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.4	-48	176	0	0	0	0	0	112.2	L79 E81 V87 F211 I353 L364	L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 2.77Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.39Å; A83-V87 WeakPolarHBondContact O-CG1 3.46Å; A83-V87 VanDerWaalsContact O-CG2 3.26Å; A83-V87 WeakPolarHBondContact O-CG2 3.37Å; A83-V87 PolarHBondContact O-N 3.08Å; A83-V87 VanDerWaalsContact O-N 3.1Å; A83-F211 HydrophobicContact CB-CB 3.93Å; A83-F211 HydrophobicContact CB-CD1 4.16Å; A83-F211 HydrophobicContact CB-CD2 3.56Å; A83-F211 HydrophobicContact CB-CE2 4.06Å; A83-F211 HydrophobicContact CB-CG 3.62Å; A83-I353 HydrophobicContact CB-CG2 3.62Å; A83-L364 HydrophobicContact CB-CD1 3.83Å
84	M	98.8	Very high	98.6	Very high	3 Å²	3	22 Å²	22	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-33.2	-179.3	-70	-58.5	99.7	0	0	112.7	S80 E81 Q82 V87 A88 A140 I164 T167 Y168 F211	S80-M84 WeakPolarHBondContact O-CG 3.3Å; S80-M84 PolarHBondContact O-N 2.63Å; S80-M84 VanDerWaalsContact O-N 3.07Å; E81-M84 PolarHBondContact O-N 3.32Å; Q82-M84 PolarHBondContact O-N 3.13Å; M84-V87 HydrophobicContact CE-CG2 4.18Å; M84-A88 WeakPolarHBondContact O-CB 3.37Å; M84-A88 PolarHBondContact O-N 3.1Å; M84-A140 HydrophobicContact SD-CB 3.91Å; M84-I164 HydrophobicContact CG-CG1 3.94Å; M84-T167 HydrophobicContact CB-CG2 3.66Å; M84-Y168 HydrophobicContact CG-CE2 4.43Å; M84-Y168 HydrophobicContact SD-CE2 4.45Å; M84-F211 HydrophobicContact CE-CB 3.62Å; M84-F211 HydrophobicContact CE-CD1 4.11Å; M84-F211 HydrophobicContact CE-CG 4.22Å
85	I	98.8	Very high	98.7	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.067	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-52.5	173.5	-69.3	168.6	0	0	0	110	E81 Q82 A88 H89 M129 T167 K171	E81-I85 HydrophobicContact CG-CD1 3.97Å; E81-I85 VanDerWaalsContact O-CG1 3.28Å; E81-I85 WeakPolarHBondContact O-CG1 3.44Å; E81-I85 PolarHBondContact O-N 2.96Å; Q82-I85 PolarHBondContact O-N 3.36Å; I85-A88 PolarHBondContact O-N 3.06Å; I85-H89 PolarHBondContact O-ND1 2.87Å; I85-M129 HydrophobicContact CG2-CE 3.45Å; I85-M129 VanDerWaalsContact CG2-CE 3.45Å; I85-T167 HydrophobicContact CG1-CG2 3.59Å; I85-K171 HydrophobicContact CG1-CG 4.13Å
86	D	98.7	Very high	98.7	Very high	10 Å²	10	17.5 Å²	17.5	5%	0.053	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-50.3	-174.9	-76.6	9.2	0	0	0	110.9	R51 Q82 A88 H89 L90 I353 L367	R51-D86 IonicContact CZ-OD2 3.76Å; R51-D86 IonicContact NE-OD2 3.65Å; R51-D86 PolarHBondContact NE-OD2 3.04Å; R51-D86 VanDerWaalsContact NH2-CG 3.34Å; R51-D86 IonicContact NH2-OD1 2.87Å; R51-D86 PolarHBondContact NH2-OD1 2.82Å; R51-D86 IonicContact NH2-OD2 3.79Å; R51-D86 PolarHBondContact NH2-OD2 3.41Å; Q82-D86 WeakPolarHBondContact O-CB 3.07Å; Q82-D86 PolarHBondContact O-N 2.91Å; D86-A88 PolarHBondContact O-N 3.02Å; D86-H89 PolarHBondContact O-N 3.5Å; D86-H89 VanDerWaalsContact O-N 3.09Å; D86-L90 HydrophobicContact CB-CD1 4.42Å; D86-L90 WeakPolarHBondContact O-CA 3.42Å; D86-L90 WeakPolarHBondContact O-CB 3.44Å; D86-L90 PolarHBondContact O-N 2.94Å; D86-I353 HydrophobicContact CB-CD1 3.75Å; D86-L367 HydrophobicContact CB-CD1 4.28Å
87	V	98.6	Very high	98.7	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-21.8	-177.7	-60.2	0	0	0	0	113.3	A83 M84 H89 A213 R351 I353 L367	A83-V87 WeakPolarHBondContact O-CG1 3.46Å; A83-V87 VanDerWaalsContact O-CG2 3.26Å; A83-V87 WeakPolarHBondContact O-CG2 3.37Å; A83-V87 PolarHBondContact O-N 3.08Å; A83-V87 VanDerWaalsContact O-N 3.1Å; M84-V87 HydrophobicContact CE-CG2 4.18Å; V87-H89 VanDerWaalsContact C-N 3.25Å; V87-H89 PolarHBondContact O-N 3.25Å; V87-A213 HydrophobicContact CG2-CB 3.7Å; V87-R351 HydrophobicContact CB-CB 4.01Å; V87-R351 HydrophobicContact CG2-CB 4.45Å; V87-R351 WeakPolarHBondContact O-CD 2.88Å; V87-R351 WeakPolarHBondContact O-CG 3.43Å; V87-I353 HydrophobicContact CG1-CB 3.46Å; V87-I353 VanDerWaalsContact CG1-CB 3.46Å; V87-I353 HydrophobicContact CG1-CD1 4.38Å; V87-I353 HydrophobicContact CG1-CG2 3.41Å; V87-I353 VanDerWaalsContact CG1-CG2 3.41Å; V87-L367 HydrophobicContact CG1-CD1 4.2Å
88	A	98.7	Very high	98.6	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	12%	0.121	C	C	.	.	H	α-helix	trans	-71.7	-22.2	176.3	0	0	0	0	0	112.9	M84 I85 D86 P132 G133 L173	M84-A88 WeakPolarHBondContact O-CB 3.37Å; M84-A88 PolarHBondContact O-N 3.1Å; I85-A88 PolarHBondContact O-N 3.06Å; D86-A88 PolarHBondContact O-N 3.02Å; A88-P132 HydrophobicContact CB-CB 4.39Å; A88-P132 CarbonylContact O-C 3.59Å; A88-P132 WeakPolarHBondContact O-CA 3.3Å; A88-G133 PolarHBondContact O-N 2.76Å; A88-L173 HydrophobicContact CB-CD1 4.31Å; A88-L173 HydrophobicContact CB-CD2 3.72Å
89	H	98.8	Very high	98.6	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.032	11%	0.108	C	C	.	.	H	α-helix	trans	-123.1	-30.7	-168.9	-62.8	98.6	0	0	0	113.8	I85 D86 V87 A126 M129 L131	I85-H89 PolarHBondContact O-ND1 2.87Å; D86-H89 PolarHBondContact O-N 3.5Å; D86-H89 VanDerWaalsContact O-N 3.09Å; V87-H89 VanDerWaalsContact C-N 3.25Å; V87-H89 PolarHBondContact O-N 3.25Å; H89-A126 WeakPolarHBondContact CB-O 3.25Å; H89-A126 PolarHBondContact CD2-O 2.8Å; H89-A126 CarbonylContact O-C 3.47Å; H89-A126 WeakPolarHBondContact O-CB 3.3Å; H89-M129 HydrophobicContact CB-CE 4Å; H89-M129 HydrophobicContact CB-SD 3.4Å; H89-M129 WeakPolarHBondContact CB-SD 3.35Å; H89-L131 PolarHBondContact CD2-O 3.09Å
90	L	98.8	Very high	98.6	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.042	11%	0.11	C	C	.	.			trans	-113.6	155.6	-173.2	-49	-177.9	0	0	0	110.5	D86 C127 M129 L367 E368 T369	D86-L90 HydrophobicContact CB-CD1 4.42Å; D86-L90 WeakPolarHBondContact O-CA 3.42Å; D86-L90 WeakPolarHBondContact O-CB 3.44Å; D86-L90 PolarHBondContact O-N 2.94Å; L90-C127 HydrophobicContact CD2-CB 3.9Å; L90-M129 HydrophobicContact CD2-SD 3.85Å; L90-M129 HydrophobicContact CG-SD 4.11Å; L90-L367 HydrophobicContact CB-CB 3.69Å; L90-L367 HydrophobicContact CB-CD1 3.93Å; L90-L367 HydrophobicContact CB-CG 4.48Å; L90-L367 HydrophobicContact CD1-CB 4.17Å; L90-E368 WeakPolarHBondContact CD2-O 3.47Å; L90-T369 HydrophobicContact CD1-CG2 4Å
91	L	98.8	Very high	98.5	Very high	24 Å²	24	23 Å²	23	13%	0.126	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-126.8	161.2	179.3	-64.2	172.8	0	0	0	110	L96 A123 E368	L91-L96 HydrophobicContact CB-CD1 4.35Å; L91-L96 HydrophobicContact CB-CD2 4.27Å; L91-L96 HydrophobicContact CB-CG 4.1Å; L91-L96 HydrophobicContact CD1-CD2 4.04Å; L91-A123 HydrophobicContact CD1-CB 4.14Å; L91-E368 WeakPolarHBondContact O-CB 3.41Å; L91-E368 PolarHBondContact O-N 3.03Å; L91-E368 VanDerWaalsContact O-N 3.12Å
92	R	98.5	Very high	98.5	Very high	30 Å²	30	20.8 Å²	20.8	11%	0.113	12%	0.118	C	C	.	.			trans	-66.6	140.2	173.8	-76.8	179.4	167.4	162.8	-2.5	110.8	A94 H95 L96 C279 Q352 E365 L367	R92-A94 PolarHBondContact O-N 3.33Å; R92-A94 VanDerWaalsContact O-N 3.17Å; R92-H95 WeakPolarHBondContact O-CB 3.42Å; R92-H95 PolarHBondContact O-N 3.09Å; R92-L96 PolarHBondContact O-N 3.37Å; R92-C279 PolarHBondContact NH1-O 2.89Å; R92-Q352 VanDerWaalsContact NH1-CG 3.32Å; R92-E365 IonicContact CZ-OE1 3.67Å; R92-E365 IonicContact CZ-OE2 3.45Å; R92-E365 IonicContact NE-OE1 3.44Å; R92-E365 PolarHBondContact NE-OE1 2.86Å; R92-E365 IonicContact NE-OE2 2.96Å; R92-E365 IonicContact NH2-OE1 2.79Å; R92-E365 PolarHBondContact NH2-OE1 3.36Å; R92-E365 IonicContact NH2-OE2 3.33Å; R92-E365 PolarHBondContact NH2-OE2 2.97Å; R92-L367 HydrophobicContact CG-CD2 3.71Å
93	P	98.2	Very high	98.4	Very high	51 Å²	51	19 Å²	19	33%	0.331	11%	0.11	S	C	.	.	H	α-helix	trans	-48.8	-42.6	173.3	-31.9	36.7	0	0	0	113.8	H95 L96 Q97 E368 Y374	P93-H95 VanDerWaalsContact C-N 3.33Å; P93-H95 PolarHBondContact O-N 3.47Å; P93-L96 PolarHBondContact O-N 3.37Å; P93-Q97 WeakPolarHBondContact O-CB 3.3Å; P93-Q97 PolarHBondContact O-N 3.01Å; P93-E368 HydrophobicContact CG-CB 4.24Å; P93-Y374 WeakPolarHBondContact CB-OH 3.47Å
94	A	97.6	Very high	98.2	Very high	55 Å²	55	25.8 Å²	25.8	46%	0.455	14%	0.139	S	C	.	.	H	α-helix	trans	-63.9	-34.4	-179.8	0	0	0	0	0	113.5	R92 S98	R92-A94 PolarHBondContact O-N 3.33Å; R92-A94 VanDerWaalsContact O-N 3.17Å; A94-S98 WeakPolarHBondContact O-CB 3.33Å; A94-S98 PolarHBondContact O-N 2.84Å; A94-S98 PolarHBondContact O-OG 3.35Å
95	H	98.6	Very high	98.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-48.3	175.5	179.3	77.8	0	0	0	110.9	R92 P93 Q97 S98 L99 H257 H325	R92-H95 WeakPolarHBondContact O-CB 3.42Å; R92-H95 PolarHBondContact O-N 3.09Å; P93-H95 VanDerWaalsContact C-N 3.33Å; P93-H95 PolarHBondContact O-N 3.47Å; H95-Q97 VanDerWaalsContact C-N 3.34Å; H95-Q97 PolarHBondContact O-N 3.45Å; H95-S98 WeakPolarHBondContact O-CA 3.06Å; H95-S98 WeakPolarHBondContact O-CB 3.28Å; H95-S98 PolarHBondContact O-N 2.94Å; H95-L99 PolarHBondContact O-N 2.72Å; H95-L99 VanDerWaalsContact O-N 3.08Å; H95-H257 AromaticContact CE1-NE2 3.88Å; H95-H257 AromaticContact CG-NE2 3.89Å; H95-H257 AromaticContact ND1-CD2 3.82Å; H95-H257 AromaticContact ND1-CE1 3.93Å; H95-H257 AromaticContact ND1-NE2 2.94Å; H95-H257 PolarHBondContact ND1-NE2 2.87Å; H95-H325 AromaticContact CE1-CD2 3.76Å; H95-H325 AromaticContact CE1-NE2 3.38Å; H95-H325 PolarHBondContact CE1-NE2 3.26Å; H95-H325 AromaticContact ND1-CD2 3.81Å; H95-H325 AromaticContact ND1-NE2 3.79Å
96	L	98.8	Very high	97.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-41.7	176.7	-66.3	169	0	0	0	112.1	L91 R92 P93 S98 L99 S100 L120 A123 E368 P371 Y374	L91-L96 HydrophobicContact CB-CD1 4.35Å; L91-L96 HydrophobicContact CB-CD2 4.27Å; L91-L96 HydrophobicContact CB-CG 4.1Å; L91-L96 HydrophobicContact CD1-CD2 4.04Å; R92-L96 PolarHBondContact O-N 3.37Å; P93-L96 PolarHBondContact O-N 3.37Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 3.14Å; L96-L99 PolarHBondContact O-N 2.97Å; L96-S100 PolarHBondContact O-N 3.03Å; L96-L120 HydrophobicContact CD2-CD2 4.05Å; L96-A123 HydrophobicContact CD2-CB 3.81Å; L96-E368 HydrophobicContact CD1-CB 3.6Å; L96-E368 HydrophobicContact CD1-CG 3.58Å; L96-P371 HydrophobicContact CD1-CB 3.96Å; L96-P371 HydrophobicContact CD2-CB 4.25Å; L96-Y374 HydrophobicContact CB-CD1 3.95Å; L96-Y374 HydrophobicContact CB-CD2 3.71Å; L96-Y374 HydrophobicContact CB-CE1 4.08Å; L96-Y374 HydrophobicContact CB-CE2 3.85Å; L96-Y374 HydrophobicContact CB-CG 3.76Å; L96-Y374 HydrophobicContact CD1-CD2 3.98Å; L96-Y374 HydrophobicContact CD1-CE2 3.79Å; L96-Y374 HydrophobicContact CG-CD2 4.41Å; L96-Y374 HydrophobicContact CG-CE2 4.48Å
97	Q	98.6	Very high	97.8	Very high	75 Å²	75	37.9 Å²	37.9	35%	0.35	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-39.4	173.5	-172.1	59.5	57.3	0	0	111.5	P93 H95 L99 S100 N101 Y374	P93-Q97 WeakPolarHBondContact O-CB 3.3Å; P93-Q97 PolarHBondContact O-N 3.01Å; H95-Q97 VanDerWaalsContact C-N 3.34Å; H95-Q97 PolarHBondContact O-N 3.45Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 2.86Å; Q97-S100 PolarHBondContact O-N 2.76Å; Q97-N101 PolarHBondContact NE2-OD1 3.28Å; Q97-N101 PolarHBondContact O-N 2.88Å; Q97-N101 PolarHBondContact O-ND2 2.58Å; Q97-N101 PolarHBondContact O-OD1 2.9Å; Q97-Y374 HydrophobicContact CB-CD1 4.31Å; Q97-Y374 HydrophobicContact CB-CE1 3.96Å
98	S	98.5	Very high	97.7	Very high	24 Å²	24	38.2 Å²	38.2	17%	0.168	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-36.1	179.1	-57.4	0	0	0	0	111.9	A94 H95 L96 I102 H325	A94-S98 WeakPolarHBondContact O-CB 3.33Å; A94-S98 PolarHBondContact O-N 2.84Å; A94-S98 PolarHBondContact O-OG 3.35Å; H95-S98 WeakPolarHBondContact O-CA 3.06Å; H95-S98 WeakPolarHBondContact O-CB 3.28Å; H95-S98 PolarHBondContact O-N 2.94Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 3.14Å; S98-I102 WeakPolarHBondContact O-CG1 3.33Å; S98-H325 WeakPolarHBondContact CB-ND1 3.36Å
99	L	98.5	Very high	97.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-46	170.3	-70.7	165.8	0	0	0	111.7	H95 L96 Q97 N101 I102 A116 L119 L120	H95-L99 PolarHBondContact O-N 2.72Å; H95-L99 VanDerWaalsContact O-N 3.08Å; L96-L99 PolarHBondContact O-N 2.97Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 2.86Å; L99-N101 PolarHBondContact O-N 3.49Å; L99-I102 HydrophobicContact CD2-CD1 4.46Å; L99-I102 WeakPolarHBondContact O-CB 3.37Å; L99-I102 PolarHBondContact O-N 3.17Å; L99-I102 VanDerWaalsContact O-N 3.09Å; L99-A116 HydrophobicContact CD2-CB 4.3Å; L99-L119 HydrophobicContact CD1-CB 4.14Å; L99-L119 HydrophobicContact CD2-CB 4.14Å; L99-L119 HydrophobicContact CD2-CD1 3.77Å; L99-L120 HydrophobicContact CB-CD1 4.14Å; L99-L120 HydrophobicContact CB-CD2 3.87Å; L99-L120 HydrophobicContact CB-CG 3.84Å; L99-L120 HydrophobicContact CD1-CD2 4.19Å; L99-L120 HydrophobicContact CD1-CG 4.34Å
100	S	97.9	Very high	97.3	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-35.4	178.1	-169.3	0	0	0	0	112.3	L96 Q97 I102 L103 K104 Y374	L96-S100 PolarHBondContact O-N 3.03Å; Q97-S100 PolarHBondContact O-N 2.76Å; S100-I102 VanDerWaalsContact C-N 3.29Å; S100-I102 PolarHBondContact O-N 2.96Å; S100-L103 PolarHBondContact O-N 2.87Å; S100-K104 PolarHBondContact OG-NZ 2.9Å; S100-Y374 WeakPolarHBondContact CB-O 3.44Å; S100-Y374 PolarHBondContact OG-O 3.26Å
101	N	97.7	Very high	97.1	Very high	71 Å²	71	45.2 Å²	45.2	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-31.9	177.5	-68.5	-12.2	0	0	0	112.6	Q97 L99 L103 K104 D105	Q97-N101 PolarHBondContact NE2-OD1 3.28Å; Q97-N101 PolarHBondContact O-N 2.88Å; Q97-N101 PolarHBondContact O-ND2 2.58Å; Q97-N101 PolarHBondContact O-OD1 2.9Å; L99-N101 PolarHBondContact O-N 3.49Å; N101-L103 VanDerWaalsContact C-N 3.29Å; N101-L103 PolarHBondContact O-N 2.86Å; N101-K104 PolarHBondContact O-N 3.2Å; N101-K104 VanDerWaalsContact O-N 3.15Å; N101-D105 PolarHBondContact O-N 3.19Å; N101-D105 VanDerWaalsContact O-N 3.13Å
102	I	97.9	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-41.6	177.5	-59.6	178.3	0	0	0	110.7	S98 L99 S100 K104 D105 A108 D112 A116 P255 Y322	S98-I102 WeakPolarHBondContact O-CG1 3.33Å; L99-I102 HydrophobicContact CD2-CD1 4.46Å; L99-I102 WeakPolarHBondContact O-CB 3.37Å; L99-I102 PolarHBondContact O-N 3.17Å; L99-I102 VanDerWaalsContact O-N 3.09Å; S100-I102 VanDerWaalsContact C-N 3.29Å; S100-I102 PolarHBondContact O-N 2.96Å; I102-K104 PolarHBondContact O-N 3.11Å; I102-D105 PolarHBondContact O-N 3.11Å; I102-A108 HydrophobicContact CG2-CB 4.05Å; I102-A108 WeakPolarHBondContact O-CB 3.26Å; I102-D112 HydrophobicContact CG2-CB 3.85Å; I102-A116 HydrophobicContact CB-CB 3.86Å; I102-A116 HydrophobicContact CD1-CB 3.97Å; I102-A116 HydrophobicContact CG1-CB 4.43Å; I102-A116 HydrophobicContact CG2-CB 3.88Å; I102-P255 HydrophobicContact CD1-CG 3.72Å; I102-Y322 HydrophobicContact CB-CD2 4.33Å; I102-Y322 HydrophobicContact CB-CE2 4.3Å; I102-Y322 HydrophobicContact CB-CG 4.44Å; I102-Y322 HydrophobicContact CD1-CD1 3.78Å; I102-Y322 HydrophobicContact CD1-CD2 4.49Å; I102-Y322 HydrophobicContact CD1-CE1 4.37Å; I102-Y322 HydrophobicContact CD1-CG 3.79Å; I102-Y322 HydrophobicContact CG1-CD1 3.51Å; I102-Y322 HydrophobicContact CG1-CD2 4Å; I102-Y322 HydrophobicContact CG1-CE1 3.61Å; I102-Y322 HydrophobicContact CG1-CE2 4.12Å; I102-Y322 HydrophobicContact CG1-CG 3.66Å; I102-Y322 HydrophobicContact CG2-CD2 3.78Å; I102-Y322 HydrophobicContact CG2-CE2 4.06Å; I102-Y322 HydrophobicContact CG2-CG 4.13Å
103	L	96	Very high	96.9	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-28.6	-179.6	-56.6	-179.7	0	0	0	112.2	S100 N101 K113 A116 L117 L120 P376	S100-L103 PolarHBondContact O-N 2.87Å; N101-L103 VanDerWaalsContact C-N 3.29Å; N101-L103 PolarHBondContact O-N 2.86Å; L103-K113 HydrophobicContact CD2-CB 4.09Å; L103-K113 VanDerWaalsContact CD2-O 3.22Å; L103-K113 WeakPolarHBondContact CD2-O 3.47Å; L103-A116 HydrophobicContact CD2-CB 4.08Å; L103-L117 HydrophobicContact CD2-CB 4.17Å; L103-L120 HydrophobicContact CD1-CD1 3.75Å; L103-P376 HydrophobicContact CD1-CB 4.21Å; L103-P376 HydrophobicContact CD1-CG 3.84Å
104	K	94.8	Very high	96.8	Very high	141 Å²	141	43 Å²	43	61%	0.613	23%	0.234	S	C	*	.	H	α-helix	trans	-92.4	-13.9	-176.7	-63.2	164.6	-177.5	161.4	0	113.1	S100 N101 I102 P106	S100-K104 PolarHBondContact OG-NZ 2.9Å; N101-K104 PolarHBondContact O-N 3.2Å; N101-K104 VanDerWaalsContact O-N 3.15Å; I102-K104 PolarHBondContact O-N 3.11Å; K104-P106 WeakPolarHBondContact O-CD 3.24Å
105	D	96.5	Very high	96.7	Very high	20 Å²	20	40.3 Å²	40.3	11%	0.107	21%	0.212	C	C	.	.			trans	-78.8	120.7	-178.5	-173.7	-3.6	0	0	0	110.7	N101 I102 E107 A108 K113 K321 Y322	N101-D105 PolarHBondContact O-N 3.19Å; N101-D105 VanDerWaalsContact O-N 3.13Å; I102-D105 PolarHBondContact O-N 3.11Å; D105-E107 PolarHBondContact O-N 3.2Å; D105-E107 WeakPolarHBondContact OD1-CB 3.46Å; D105-E107 PolarHBondContact OD1-N 3.05Å; D105-A108 HydrophobicContact CB-CB 4.11Å; D105-A108 PolarHBondContact O-N 2.95Å; D105-K113 WeakPolarHBondContact O-CE 3.48Å; D105-K113 PolarHBondContact O-NZ 3.11Å; D105-K113 VanDerWaalsContact O-NZ 3.13Å; D105-K321 IonicContact OD1-NZ 3.82Å; D105-K321 WeakPolarHBondContact OD2-CD 3.23Å; D105-K321 WeakPolarHBondContact OD2-CE 3.2Å; D105-K321 IonicContact OD2-NZ 2.82Å; D105-K321 PolarHBondContact OD2-NZ 2.78Å; D105-Y322 HydrophobicContact CB-CE2 3.98Å; D105-Y322 VanDerWaalsContact CB-OH 3.27Å; D105-Y322 WeakPolarHBondContact CB-OH 3.48Å; D105-Y322 VanDerWaalsContact OD2-CE2 3.3Å; D105-Y322 WeakPolarHBondContact OD2-CE2 3.19Å; D105-Y322 PolarHBondContact OD2-OH 3.2Å
106	P	95.8	Very high	96.7	Very high	120 Å²	120	40.3 Å²	40.3	78%	0.779	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.6	174.4	27.4	-35.2	0	0	0	113.5	K104	K104-P106 WeakPolarHBondContact O-CD 3.24Å
107	E	96.7	Very high	96.6	Very high	141 Å²	141	41.5 Å²	41.5	66%	0.659	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.5	178.2	-60.4	-179.6	175.9	0	0	113.3	D105 K321	D105-E107 PolarHBondContact O-N 3.2Å; D105-E107 WeakPolarHBondContact OD1-CB 3.46Å; D105-E107 PolarHBondContact OD1-N 3.05Å; E107-K321 HydrophobicContact CB-CD 3.91Å; E107-K321 IonicContact OE2-NZ 2.93Å; E107-K321 PolarHBondContact OE2-NZ 2.87Å
108	A	96.9	Very high	96.5	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	21%	0.207	C	C	.	.	S	Bend	trans	-68	136.4	174.3	0	0	0	0	0	110.6	I102 D105 D112 K113 Y322	I102-A108 HydrophobicContact CG2-CB 4.05Å; I102-A108 WeakPolarHBondContact O-CB 3.26Å; D105-A108 HydrophobicContact CB-CB 4.11Å; D105-A108 PolarHBondContact O-N 2.95Å; A108-D112 HydrophobicContact CB-CB 4.1Å; A108-K113 HydrophobicContact CB-CG 4Å; A108-Y322 HydrophobicContact CB-CD2 3.97Å; A108-Y322 HydrophobicContact CB-CE2 3.76Å
109	S	95.1	Very high	96.5	Very high	35 Å²	35	38.6 Å²	38.6	25%	0.245	20%	0.202	C	C	.	.			trans	-66.3	159.4	173.9	81.4	0	0	0	0	110.9	N111 D112 K113 G319	S109-N111 PolarHBondContact O-N 2.96Å; S109-N111 PolarHBondContact OG-N 3.24Å; S109-D112 PolarHBondContact N-OD2 3.48Å; S109-D112 WeakPolarHBondContact O-CB 3.29Å; S109-D112 PolarHBondContact O-N 3.45Å; S109-D112 VanDerWaalsContact O-N 3.11Å; S109-D112 PolarHBondContact OG-N 2.98Å; S109-K113 PolarHBondContact O-N 2.68Å; S109-G319 PolarHBondContact OG-O 2.82Å
110	N	94	Very high	96.5	Very high	90 Å²	90	38.5 Å²	38.5	48%	0.481	20%	0.201	S	C	.	.	H	α-helix	trans	-58.2	-32.5	172.3	-71.9	-17.8	0	0	0	111.9	F114 L383	N110-F114 WeakPolarHBondContact O-CB 3.39Å; N110-F114 PolarHBondContact O-N 3.38Å; N110-L383 WeakPolarHBondContact O-CD2 3.26Å
111	N	94.3	Very high	96.5	Very high	42 Å²	42	41.8 Å²	41.8	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-72.2	-38.3	176.3	-71.9	-12.3	0	0	0	112.1	S109 K113 F114 V115 F318	S109-N111 PolarHBondContact O-N 2.96Å; S109-N111 PolarHBondContact OG-N 3.24Å; N111-K113 VanDerWaalsContact C-N 3.31Å; N111-K113 PolarHBondContact O-N 3.25Å; N111-F114 PolarHBondContact O-N 3.01Å; N111-V115 WeakPolarHBondContact O-CG2 3.46Å; N111-V115 PolarHBondContact O-N 2.99Å; N111-F318 HydrophobicContact CB-CB 4.11Å; N111-F318 WeakPolarHBondContact CB-O 3.2Å; N111-F318 PolarHBondContact ND2-O 3.34Å
112	D	97	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-48	172.6	-73.8	-29.7	0	0	0	110.4	I102 A108 S109 V115 A116 G315 A316 G320 K321 Y322	I102-D112 HydrophobicContact CG2-CB 3.85Å; A108-D112 HydrophobicContact CB-CB 4.1Å; S109-D112 PolarHBondContact N-OD2 3.48Å; S109-D112 WeakPolarHBondContact O-CB 3.29Å; S109-D112 PolarHBondContact O-N 3.45Å; S109-D112 VanDerWaalsContact O-N 3.11Å; S109-D112 PolarHBondContact OG-N 2.98Å; D112-V115 PolarHBondContact O-N 2.7Å; D112-A116 VanDerWaalsContact O-CB 3.28Å; D112-A116 WeakPolarHBondContact O-CB 3.23Å; D112-A116 PolarHBondContact O-N 3.34Å; D112-G315 WeakPolarHBondContact OD1-CA 3.46Å; D112-A316 HydrophobicContact CB-CB 4.48Å; D112-A316 WeakPolarHBondContact OD1-CB 3.22Å; D112-A316 PolarHBondContact OD1-N 3.15Å; D112-G320 WeakPolarHBondContact OD2-CA 3.31Å; D112-K321 PolarHBondContact OD2-N 2.79Å; D112-Y322 HydrophobicContact CB-CD2 4.34Å; D112-Y322 PolarHBondContact OD2-N 3.21Å
113	K	96.2	Very high	96.5	Very high	35 Å²	35	39.2 Å²	39.2	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-42.3	179	-65.5	-177.3	-175.2	-174	0	111.9	L103 D105 A108 S109 N111 A116 L117 L383	L103-K113 HydrophobicContact CD2-CB 4.09Å; L103-K113 VanDerWaalsContact CD2-O 3.22Å; L103-K113 WeakPolarHBondContact CD2-O 3.47Å; D105-K113 WeakPolarHBondContact O-CE 3.48Å; D105-K113 PolarHBondContact O-NZ 3.11Å; D105-K113 VanDerWaalsContact O-NZ 3.13Å; A108-K113 HydrophobicContact CB-CG 4Å; S109-K113 PolarHBondContact O-N 2.68Å; N111-K113 VanDerWaalsContact C-N 3.31Å; N111-K113 PolarHBondContact O-N 3.25Å; K113-A116 PolarHBondContact O-N 2.88Å; K113-L117 VanDerWaalsContact O-CB 3.3Å; K113-L117 WeakPolarHBondContact O-CB 3.44Å; K113-L117 PolarHBondContact O-N 3.18Å; K113-L383 HydrophobicContact CB-CD2 3.87Å
114	F	94.6	Very high	96.7	Very high	23 Å²	23	41.6 Å²	41.6	10%	0.101	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-48.5	176.8	179.7	-125.6	0	0	0	112.3	N110 N111 L117 E118 L383 I514 P551 F553	N110-F114 WeakPolarHBondContact O-CB 3.39Å; N110-F114 PolarHBondContact O-N 3.38Å; N111-F114 PolarHBondContact O-N 3.01Å; F114-L117 PolarHBondContact O-N 2.84Å; F114-E118 HydrophobicContact CD2-CG 4.24Å; F114-E118 HydrophobicContact CE2-CG 3.91Å; F114-E118 HydrophobicContact CZ-CG 4.25Å; F114-E118 WeakPolarHBondContact O-CG 3.35Å; F114-E118 PolarHBondContact O-N 2.69Å; F114-L383 HydrophobicContact CB-CD1 3.86Å; F114-L383 HydrophobicContact CB-CD2 4.35Å; F114-L383 HydrophobicContact CD2-CD1 3.81Å; F114-L383 HydrophobicContact CG-CD1 4.32Å; F114-I514 HydrophobicContact CD1-CD1 4.01Å; F114-I514 HydrophobicContact CE1-CD1 3.58Å; F114-I514 HydrophobicContact CZ-CD1 4.03Å; F114-P551 HydrophobicContact CZ-CB 4.48Å; F114-F553 HydrophobicContact CD1-CE2 4.35Å; F114-F553 AromaticContact CD1-CZ 3.96Å; F114-F553 HydrophobicContact CD1-CZ 3.96Å; F114-F553 HydrophobicContact CE1-CE2 4.1Å; F114-F553 AromaticContact CE1-CZ 3.98Å; F114-F553 HydrophobicContact CE1-CZ 3.98Å
115	V	96.8	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-44	178.2	170.8	0	0	0	0	111.2	N111 D112 L117 E118 L119 A316 Q317 F318 I514	N111-V115 WeakPolarHBondContact O-CG2 3.46Å; N111-V115 PolarHBondContact O-N 2.99Å; D112-V115 PolarHBondContact O-N 2.7Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.5Å; V115-E118 PolarHBondContact O-N 2.78Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 HydrophobicContact CG1-CG 4.42Å; V115-L119 VanDerWaalsContact O-CG 3.3Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 2.86Å; V115-A316 HydrophobicContact CB-CB 4.23Å; V115-A316 HydrophobicContact CG1-CB 4.08Å; V115-A316 WeakPolarHBondContact CG2-O 3.48Å; V115-Q317 HydrophobicContact CG1-CG 4.23Å; V115-Q317 HydrophobicContact CG2-CB 4.49Å; V115-F318 HydrophobicContact CG2-CD2 4.01Å; V115-I514 HydrophobicContact CG1-CG2 4.06Å; V115-I514 HydrophobicContact CG2-CD1 4.33Å; V115-I514 HydrophobicContact CG2-CG1 4.3Å; V115-I514 HydrophobicContact CG2-CG2 4.21Å
116	A	97.9	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-41	177.1	0	0	0	0	0	112.3	L99 I102 L103 D112 K113 L119 L120	L99-A116 HydrophobicContact CD2-CB 4.3Å; I102-A116 HydrophobicContact CB-CB 3.86Å; I102-A116 HydrophobicContact CD1-CB 3.97Å; I102-A116 HydrophobicContact CG1-CB 4.43Å; I102-A116 HydrophobicContact CG2-CB 3.88Å; L103-A116 HydrophobicContact CD2-CB 4.08Å; D112-A116 VanDerWaalsContact O-CB 3.28Å; D112-A116 WeakPolarHBondContact O-CB 3.23Å; D112-A116 PolarHBondContact O-N 3.34Å; K113-A116 PolarHBondContact O-N 2.88Å; A116-L119 PolarHBondContact O-N 3.39Å; A116-L120 WeakPolarHBondContact O-CG 3.44Å; A116-L120 PolarHBondContact O-N 3.17Å
117	L	96.5	Very high	97	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-47.3	176.7	179.6	60.9	0	0	0	111.7	L103 K113 F114 V115 L119 L120 K121 L375 P376 L383	L103-L117 HydrophobicContact CD2-CB 4.17Å; K113-L117 VanDerWaalsContact O-CB 3.3Å; K113-L117 WeakPolarHBondContact O-CB 3.44Å; K113-L117 PolarHBondContact O-N 3.18Å; F114-L117 PolarHBondContact O-N 2.84Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.5Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.48Å; L117-L120 PolarHBondContact O-N 3Å; L117-K121 HydrophobicContact CD1-CG 4.29Å; L117-K121 HydrophobicContact CG-CD 4.31Å; L117-K121 HydrophobicContact CG-CG 4.49Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.16Å; L117-L375 HydrophobicContact CD1-CD2 4.18Å; L117-P376 HydrophobicContact CD1-CG 3.79Å; L117-L383 HydrophobicContact CD2-CD1 3.8Å
118	E	96.5	Very high	97.1	Very high	27 Å²	27	26.6 Å²	26.6	13%	0.126	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-35.1	178.9	-68	-55.6	121.4	0	0	112.1	F114 V115 K121 N122 I514 P517	F114-E118 HydrophobicContact CD2-CG 4.24Å; F114-E118 HydrophobicContact CE2-CG 3.91Å; F114-E118 HydrophobicContact CZ-CG 4.25Å; F114-E118 WeakPolarHBondContact O-CG 3.35Å; F114-E118 PolarHBondContact O-N 2.69Å; V115-E118 PolarHBondContact O-N 2.78Å; E118-K121 IonicContact OE1-NZ 2.84Å; E118-K121 PolarHBondContact OE1-NZ 2.75Å; E118-N122 VanDerWaalsContact O-CB 3.23Å; E118-N122 WeakPolarHBondContact O-CB 3.4Å; E118-N122 PolarHBondContact O-N 3.46Å; E118-I514 HydrophobicContact CB-CD1 4.06Å; E118-I514 HydrophobicContact CG-CD1 3.85Å; E118-P517 HydrophobicContact CB-CB 4.5Å; E118-P517 HydrophobicContact CB-CG 4.44Å
119	L	98.5	Very high	97.1	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-41.4	173	-71.1	173.6	0	0	0	112.6	L99 V115 A116 L117 N122 A123 P517	L99-L119 HydrophobicContact CD1-CB 4.14Å; L99-L119 HydrophobicContact CD2-CB 4.14Å; L99-L119 HydrophobicContact CD2-CD1 3.77Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 HydrophobicContact CG1-CG 4.42Å; V115-L119 VanDerWaalsContact O-CG 3.3Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 2.86Å; A116-L119 PolarHBondContact O-N 3.39Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.48Å; L119-N122 WeakPolarHBondContact O-CB 3.3Å; L119-N122 PolarHBondContact O-N 2.91Å; L119-A123 PolarHBondContact O-N 3.18Å; L119-P517 HydrophobicContact CD2-CB 4.49Å
120	L	98.3	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-44.6	176	-76	167.9	0	0	0	112	L96 L99 L103 A116 L117 N122 A123 N124 L375	L96-L120 HydrophobicContact CD2-CD2 4.05Å; L99-L120 HydrophobicContact CB-CD1 4.14Å; L99-L120 HydrophobicContact CB-CD2 3.87Å; L99-L120 HydrophobicContact CB-CG 3.84Å; L99-L120 HydrophobicContact CD1-CD2 4.19Å; L99-L120 HydrophobicContact CD1-CG 4.34Å; L103-L120 HydrophobicContact CD1-CD1 3.75Å; A116-L120 WeakPolarHBondContact O-CG 3.44Å; A116-L120 PolarHBondContact O-N 3.17Å; L117-L120 PolarHBondContact O-N 3Å; L120-N122 VanDerWaalsContact C-N 3.26Å; L120-N122 PolarHBondContact O-N 2.67Å; L120-A123 WeakPolarHBondContact O-CB 3.27Å; L120-A123 PolarHBondContact O-N 3.04Å; L120-A123 VanDerWaalsContact O-N 3.16Å; L120-N124 PolarHBondContact O-N 3.28Å; L120-L375 HydrophobicContact CB-CD2 3.62Å; L120-L375 HydrophobicContact CB-CG 4.46Å
121	K	97.6	Very high	97.5	Very high	75 Å²	75	25.8 Å²	25.8	33%	0.326	15%	0.146	S	C	.	.	H	α-helix	trans	-60.6	-40.2	174.8	-67.5	173.6	179.9	166.6	0	110.8	L117 E118 A123 N124 V125 L375 I520	L117-K121 HydrophobicContact CD1-CG 4.29Å; L117-K121 HydrophobicContact CG-CD 4.31Å; L117-K121 HydrophobicContact CG-CG 4.49Å; L117-K121 WeakPolarHBondContact O-CG 3.48Å; L117-K121 PolarHBondContact O-N 3.16Å; E118-K121 IonicContact OE1-NZ 2.84Å; E118-K121 PolarHBondContact OE1-NZ 2.75Å; K121-A123 PolarHBondContact O-N 3.5Å; K121-N124 WeakPolarHBondContact O-CB 3.37Å; K121-N124 PolarHBondContact O-N 3.15Å; K121-N124 VanDerWaalsContact O-N 3.15Å; K121-V125 WeakPolarHBondContact O-CG2 3.35Å; K121-V125 PolarHBondContact O-N 3.44Å; K121-L375 HydrophobicContact CG-CD2 3.98Å; K121-I520 HydrophobicContact CB-CD1 3.49Å; K121-I520 VanDerWaalsContact CB-CD1 3.49Å; K121-I520 HydrophobicContact CD-CD1 3.95Å; K121-I520 HydrophobicContact CG-CD1 4.39Å
122	N	98.7	Very high	97.7	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.059	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-41.8	174.8	-179	81.2	0	0	0	112.9	E118 L119 L120 N124 V125 A126 G133 P517 A518 A519 I520	E118-N122 VanDerWaalsContact O-CB 3.23Å; E118-N122 WeakPolarHBondContact O-CB 3.4Å; E118-N122 PolarHBondContact O-N 3.46Å; L119-N122 WeakPolarHBondContact O-CB 3.3Å; L119-N122 PolarHBondContact O-N 2.91Å; L120-N122 VanDerWaalsContact C-N 3.26Å; L120-N122 PolarHBondContact O-N 2.67Å; N122-N124 VanDerWaalsContact C-N 3.25Å; N122-N124 PolarHBondContact O-N 3.25Å; N122-V125 PolarHBondContact O-N 3.12Å; N122-A126 WeakPolarHBondContact O-CB 3.3Å; N122-A126 PolarHBondContact O-N 2.82Å; N122-G133 PolarHBondContact ND2-O 3.42Å; N122-P517 HydrophobicContact CB-CB 3.67Å; N122-P517 VanDerWaalsContact OD1-CA 3.3Å; N122-P517 WeakPolarHBondContact OD1-CA 3.36Å; N122-A518 PolarHBondContact OD1-N 3.22Å; N122-A518 VanDerWaalsContact OD1-N 3.15Å; N122-A519 WeakPolarHBondContact OD1-CA 3.48Å; N122-A519 VanDerWaalsContact OD1-CB 3.3Å; N122-A519 WeakPolarHBondContact OD1-CB 3.31Å; N122-A519 PolarHBondContact OD1-N 2.97Å; N122-I520 HydrophobicContact CB-CB 4.32Å; N122-I520 HydrophobicContact CB-CG2 3.79Å; N122-I520 PolarHBondContact OD1-N 3.29Å; N122-I520 VanDerWaalsContact OD1-N 3.12Å
123	A	98.7	Very high	97.8	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.041	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-38.6	173.4	0	0	0	0	0	111.4	L91 L96 L119 L120 K121 V125 A126 C127 P371	L91-A123 HydrophobicContact CD1-CB 4.14Å; L96-A123 HydrophobicContact CD2-CB 3.81Å; L119-A123 PolarHBondContact O-N 3.18Å; L120-A123 WeakPolarHBondContact O-CB 3.27Å; L120-A123 PolarHBondContact O-N 3.04Å; L120-A123 VanDerWaalsContact O-N 3.16Å; K121-A123 PolarHBondContact O-N 3.5Å; A123-V125 VanDerWaalsContact C-N 3.35Å; A123-V125 PolarHBondContact O-N 3.29Å; A123-A126 PolarHBondContact O-N 3.15Å; A123-C127 PolarHBondContact O-N 3.48Å; A123-P371 HydrophobicContact CB-CB 4.17Å
124	N	98.3	Very high	97.9	Very high	63 Å²	63	23.4 Å²	23.4	34%	0.337	14%	0.14	S	C	.	.	H	α-helix	trans	-66.6	-30.2	175	-166.2	73.9	0	0	0	114.1	L120 K121 N122 C127 P371 S372 L375	L120-N124 PolarHBondContact O-N 3.28Å; K121-N124 WeakPolarHBondContact O-CB 3.37Å; K121-N124 PolarHBondContact O-N 3.15Å; K121-N124 VanDerWaalsContact O-N 3.15Å; N122-N124 VanDerWaalsContact C-N 3.25Å; N122-N124 PolarHBondContact O-N 3.25Å; N124-C127 PolarHBondContact O-SG 2.89Å; N124-P371 HydrophobicContact CB-CG 4.35Å; N124-S372 VanDerWaalsContact OD1-CB 3.31Å; N124-S372 WeakPolarHBondContact OD1-CB 3.26Å; N124-L375 HydrophobicContact CB-CD1 4.25Å
125	V	98.2	Very high	98.1	Very high	25 Å²	25	22.7 Å²	22.7	15%	0.152	14%	0.137	C	C	.	.	H	α-helix	trans	-73.5	-44.1	169.9	178.7	0	0	0	0	110.5	K121 N122 A123 C127 G128 L131 A519 I520 Q523	K121-V125 WeakPolarHBondContact O-CG2 3.35Å; K121-V125 PolarHBondContact O-N 3.44Å; N122-V125 PolarHBondContact O-N 3.12Å; A123-V125 VanDerWaalsContact C-N 3.35Å; A123-V125 PolarHBondContact O-N 3.29Å; V125-C127 PolarHBondContact O-N 3.34Å; V125-G128 PolarHBondContact O-N 3.19Å; V125-L131 HydrophobicContact CG1-CD1 4.15Å; V125-A519 HydrophobicContact CB-CB 4.19Å; V125-A519 HydrophobicContact CG1-CB 3.84Å; V125-I520 HydrophobicContact CG2-CB 4.17Å; V125-I520 HydrophobicContact CG2-CG1 4.44Å; V125-Q523 HydrophobicContact CG1-CB 4.45Å
126	A	98.6	Very high	98.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-33.8	-174.5	0	0	0	0	0	113.3	H89 N122 A123 G128 M129 L131	H89-A126 WeakPolarHBondContact CB-O 3.25Å; H89-A126 PolarHBondContact CD2-O 2.8Å; H89-A126 CarbonylContact O-C 3.47Å; H89-A126 WeakPolarHBondContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.3Å; N122-A126 PolarHBondContact O-N 2.82Å; A123-A126 PolarHBondContact O-N 3.15Å; A126-G128 PolarHBondContact O-N 2.58Å; A126-M129 PolarHBondContact O-N 3.24Å; A126-L131 WeakPolarHBondContact CA-O 3.44Å
127	C	98.3	Very high	98.2	Very high	31 Å²	31	23.9 Å²	23.9	21%	0.209	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.4	178.5	74.4	0	0	0	0	113.9	L90 A123 N124 V125 M129 P371	L90-C127 HydrophobicContact CD2-CB 3.9Å; A123-C127 PolarHBondContact O-N 3.48Å; N124-C127 PolarHBondContact O-SG 2.89Å; V125-C127 PolarHBondContact O-N 3.34Å; C127-M129 PolarHBondContact O-N 3.5Å; C127-P371 HydrophobicContact CB-CG 3.77Å; C127-P371 VanDerWaalsContact SG-CD 3.57Å; C127-P371 VanDerWaalsContact SG-CG 3.6Å
128	G	97.9	Very high	98.3	Very high	51 Å²	51	22.7 Å²	22.7	53%	0.526	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-2.5	168.5	0	0	0	0	0	114.6	V125 A126 V130	V125-G128 PolarHBondContact O-N 3.19Å; A126-G128 PolarHBondContact O-N 2.58Å; G128-V130 PolarHBondContact O-N 3.04Å
129	M	97.8	Very high	98.4	Very high	66 Å²	66	23.5 Å²	23.5	33%	0.325	14%	0.144	S	C	.	.	S	Bend	trans	62.7	20.3	174.5	-49.7	-59.1	-72.7	0	0	115.3	I85 H89 L90 A126 C127	I85-M129 HydrophobicContact CG2-CE 3.45Å; I85-M129 VanDerWaalsContact CG2-CE 3.45Å; H89-M129 HydrophobicContact CB-CE 4Å; H89-M129 HydrophobicContact CB-SD 3.4Å; H89-M129 WeakPolarHBondContact CB-SD 3.35Å; L90-M129 HydrophobicContact CD2-SD 3.85Å; L90-M129 HydrophobicContact CG-SD 4.11Å; A126-M129 PolarHBondContact O-N 3.24Å; C127-M129 PolarHBondContact O-N 3.5Å
130	V	98	Very high	98.4	Very high	46 Å²	46	23 Å²	23	28%	0.279	14%	0.142	S	C	.	.	S	Bend	trans	-110.2	-59.8	178.5	178.8	0	0	0	0	111.5	G128 Y172 P457 Y460	G128-V130 PolarHBondContact O-N 3.04Å; V130-Y172 HydrophobicContact CG1-CD2 4.23Å; V130-Y172 HydrophobicContact CG1-CE2 4.45Å; V130-P457 HydrophobicContact CG1-CB 3.63Å; V130-P457 HydrophobicContact CG1-CG 3.63Å; V130-Y460 HydrophobicContact CG1-CE1 4.41Å; V130-Y460 HydrophobicContact CG1-CE2 4.06Å
131	L	98.5	Very high	98.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	15%	0.148	C	C	.	.	S	Bend	trans	-94.6	123	177.6	-71.7	172.8	0	0	0	109.3	H89 V125 A126 P457 Y460 A519 A522 Q523	H89-L131 PolarHBondContact CD2-O 3.09Å; V125-L131 HydrophobicContact CG1-CD1 4.15Å; A126-L131 WeakPolarHBondContact CA-O 3.44Å; L131-P457 HydrophobicContact CD2-CG 3.68Å; L131-P457 HydrophobicContact CG-CG 4.36Å; L131-Y460 HydrophobicContact CD1-CD1 3.96Å; L131-Y460 HydrophobicContact CD1-CE1 3.81Å; L131-Y460 HydrophobicContact CD2-CD1 4.32Å; L131-Y460 HydrophobicContact CG-CD1 4.19Å; L131-Y460 HydrophobicContact CG-CE1 4.09Å; L131-A519 HydrophobicContact CB-CB 3.77Å; L131-A519 HydrophobicContact CD1-CB 4.45Å; L131-A522 HydrophobicContact CD1-CB 4.32Å; L131-A522 HydrophobicContact CD2-CB 4.48Å; L131-Q523 HydrophobicContact CD1-CB 4.32Å
132	P	98.7	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.133	C	C	.	.			trans	-66.8	148	176.7	27.5	-34.6	0	0	0	110.9	A88 C134 T137 L173 A454 S464	A88-P132 HydrophobicContact CB-CB 4.39Å; A88-P132 CarbonylContact O-C 3.59Å; A88-P132 WeakPolarHBondContact O-CA 3.3Å; P132-C134 PolarHBondContact O-N 2.97Å; P132-T137 HydrophobicContact CB-CG2 3.97Å; P132-T137 HydrophobicContact CG-CG2 3.94Å; P132-L173 HydrophobicContact CB-CD2 3.72Å; P132-L173 HydrophobicContact CG-CD2 3.98Å; P132-A454 HydrophobicContact CG-CB 4.13Å; P132-S464 VanDerWaalsContact CD-OG 3.26Å; P132-S464 WeakPolarHBondContact CD-OG 3.28Å; P132-S464 VanDerWaalsContact O-CB 3.28Å; P132-S464 WeakPolarHBondContact O-CB 3.43Å; P132-S464 PolarHBondContact O-OG 2.79Å
133	G	98.5	Very high	98.5	Very high	15 Å²	15	20.6 Å²	20.6	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-59.3	-23.7	-175.5	0	0	0	0	0	114.4	A88 N122	A88-G133 PolarHBondContact O-N 2.76Å; N122-G133 PolarHBondContact ND2-O 3.42Å
134	C	98.7	Very high	98.5	Very high	13 Å²	13	20.3 Å²	20.3	9%	0.088	13%	0.131	C	C	.	.	S	Bend	trans	-134.6	144.7	176	-176.6	0	0	0	0	110	P132 D136 A349	P132-C134 PolarHBondContact O-N 2.97Å; C134-D136 VanDerWaalsContact C-N 3.25Å; C134-D136 PolarHBondContact O-N 3.31Å; C134-D136 PolarHBondContact SG-N 2.95Å; C134-A349 HydrophobicContact CB-CB 3.97Å
135	Q	98.4	Very high	98.5	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.037	13%	0.129	C	C	.	.	S	Bend	trans	-63.6	-34	174.1	78.7	-68.4	-6.7	0	0	112.1	T137 R174 G452 S464 G466 P467 A518	Q135-T137 PolarHBondContact O-N 3.49Å; Q135-R174 WeakPolarHBondContact O-CB 3.23Å; Q135-R174 WeakPolarHBondContact O-CD 3.29Å; Q135-R174 PolarHBondContact O-NE 2.83Å; Q135-G452 WeakPolarHBondContact CG-O 3.41Å; Q135-S464 WeakPolarHBondContact CB-O 3.34Å; Q135-G466 VanDerWaalsContact CD-C 3.47Å; Q135-G466 WeakPolarHBondContact CG-O 3.38Å; Q135-G466 PolarHBondContact NE2-O 2.87Å; Q135-P467 PolarHBondContact NE2-O 3.2Å; Q135-A518 HydrophobicContact CB-CB 4.17Å; Q135-A518 VanDerWaalsContact N-CB 3.27Å
136	D	98.4	Very high	98.5	Very high	24 Å²	24	21.6 Å²	21.6	13%	0.128	13%	0.131	C	C	.	.			trans	-82.2	90.3	171.2	-177.1	13.3	0	0	0	109.3	C134 G138 R174 G215 G216 R351	C134-D136 VanDerWaalsContact C-N 3.25Å; C134-D136 PolarHBondContact O-N 3.31Å; C134-D136 PolarHBondContact SG-N 2.95Å; D136-G138 PolarHBondContact O-N 2.88Å; D136-G138 VanDerWaalsContact O-N 3.16Å; D136-G138 WeakPolarHBondContact OD1-CA 3.46Å; D136-G138 PolarHBondContact OD1-N 2.82Å; D136-R174 VanDerWaalsContact CB-NH2 3.32Å; D136-R174 VanDerWaalsContact CG-NH2 3.26Å; D136-R174 IonicContact OD1-NH2 3.28Å; D136-R174 PolarHBondContact OD1-NH2 3.09Å; D136-G215 VanDerWaalsContact OD2-CA 3.26Å; D136-G215 WeakPolarHBondContact OD2-CA 3.26Å; D136-G216 PolarHBondContact OD2-N 2.92Å; D136-R351 PolarHBondContact O-NH1 2.94Å; D136-R351 PolarHBondContact O-NH2 3.1Å
137	T	98.6	Very high	98.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.132	C	C	.	.			trans	-67.3	-8.9	176.5	50.2	0	0	0	0	112.9	P132 Q135 Y168 L173 R174 R351	P132-T137 HydrophobicContact CB-CG2 3.97Å; P132-T137 HydrophobicContact CG-CG2 3.94Å; Q135-T137 PolarHBondContact O-N 3.49Å; T137-Y168 PolarHBondContact O-OH 3.06Å; T137-Y168 WeakPolarHBondContact OG1-CE1 3.28Å; T137-L173 HydrophobicContact CG2-CB 3.8Å; T137-L173 HydrophobicContact CG2-CD2 3.74Å; T137-L173 HydrophobicContact CG2-CG 4.24Å; T137-R174 HydrophobicContact CG2-CB 4.44Å; T137-R174 WeakPolarHBondContact OG1-CA 3.26Å; T137-R174 WeakPolarHBondContact OG1-CB 3.37Å; T137-R174 PolarHBondContact OG1-N 2.56Å; T137-R174 PolarHBondContact OG1-O 3.26Å; T137-R351 PolarHBondContact O-NH2 3.21Å
138	G	98.3	Very high	98.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	15%	0.152	C	C	.	.			trans	83.4	172.6	166.3	0	0	0	0	0	114.6	D136 Y168 N192 K214	D136-G138 PolarHBondContact O-N 2.88Å; D136-G138 VanDerWaalsContact O-N 3.16Å; D136-G138 WeakPolarHBondContact OD1-CA 3.46Å; D136-G138 PolarHBondContact OD1-N 2.82Å; G138-Y168 PolarHBondContact O-OH 3.07Å; G138-N192 PolarHBondContact O-ND2 3.35Å; G138-K214 CarbonylContact C-O 3.53Å; G138-K214 WeakPolarHBondContact CA-O 3.41Å
139	T	98.8	Very high	98.3	Very high	44 Å²	44	26.9 Å²	26.9	27%	0.27	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.1	168	-58.2	0	0	0	0	108.8	V141 Q177 K214	T139-V141 HydrophobicContact CG2-CG2 4.47Å; T139-V141 PolarHBondContact O-N 2.85Å; T139-Q177 PolarHBondContact OG1-NE2 3.16Å; T139-Q177 PolarHBondContact OG1-OE1 2.8Å; T139-K214 PolarHBondContact N-O 3.44Å; T139-K214 PolarHBondContact O-N 2.79Å
140	A	98.9	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.8	174.1	0	0	0	0	0	109.7	M84 I164 A195 Q196	M84-A140 HydrophobicContact SD-CB 3.91Å; A140-I164 HydrophobicContact CB-CD1 3.84Å; A140-I164 HydrophobicContact CB-CG1 4.22Å; A140-I164 HydrophobicContact CB-CG2 3.64Å; A140-A195 HydrophobicContact CB-CB 4.1Å; A140-A195 CarbonylContact O-C 3.59Å; A140-A195 WeakPolarHBondContact O-CA 3.38Å; A140-A195 WeakPolarHBondContact O-CB 3.42Å; A140-Q196 PolarHBondContact O-N 3.09Å
141	V	98.9	Very high	98.2	Very high	24 Å²	24	28.2 Å²	28.2	15%	0.145	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.2	177.4	-175.6	0	0	0	0	108.8	T139 Q196 F211 V212	T139-V141 HydrophobicContact CG2-CG2 4.47Å; T139-V141 PolarHBondContact O-N 2.85Å; V141-Q196 CarbonylContact C-O 3.58Å; V141-Q196 WeakPolarHBondContact CA-O 3.37Å; V141-Q196 HydrophobicContact CB-CB 4.48Å; V141-Q196 HydrophobicContact CG1-CB 4.21Å; V141-Q196 HydrophobicContact CG1-CG 4.26Å; V141-Q196 HydrophobicContact CG2-CB 4.19Å; V141-F211 CarbonylContact O-C 3.58Å; V141-F211 WeakPolarHBondContact O-CA 3.3Å; V141-V212 HydrophobicContact CB-CB 4.23Å; V141-V212 PolarHBondContact N-O 3Å; V141-V212 PolarHBondContact O-N 2.91Å
142	C	98.8	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.3	175	175.4	0	0	0	0	109.7	I160 Q196 I197 E198 F211	C142-I160 HydrophobicContact CB-CG2 3.97Å; C142-Q196 PolarHBondContact N-O 3.08Å; C142-I197 HydrophobicContact CB-CG1 4.37Å; C142-I197 WeakPolarHBondContact O-CA 3.37Å; C142-E198 PolarHBondContact O-N 3.3Å; C142-F211 HydrophobicContact CB-CD1 3.92Å; C142-F211 HydrophobicContact CB-CE1 3.91Å; C142-F211 VanDerWaalsContact SG-CE1 3.5Å
143	M	98.7	Very high	97.7	Very high	11 Å²	11	32.2 Å²	32.2	5%	0.054	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107	165.1	-178.6	-176.2	69.8	0	0	108.7	E198 Y200 F209 L210 L276 Y281	M143-E198 CarbonylContact C-O 3.55Å; M143-E198 WeakPolarHBondContact CA-O 3.22Å; M143-Y200 HydrophobicContact CG-CD2 3.96Å; M143-Y200 HydrophobicContact CG-CE2 3.91Å; M143-Y200 HydrophobicContact SD-CE2 4.37Å; M143-F209 CarbonylContact O-C 3.54Å; M143-F209 WeakPolarHBondContact O-CA 3.37Å; M143-L210 HydrophobicContact CB-CB 4.41Å; M143-L210 HydrophobicContact CE-CB 4.05Å; M143-L210 HydrophobicContact CE-CD2 4.27Å; M143-L210 PolarHBondContact N-O 2.8Å; M143-L210 PolarHBondContact O-N 2.93Å; M143-L276 HydrophobicContact CE-CD2 3.77Å; M143-L276 HydrophobicContact SD-CD2 3.91Å; M143-Y281 HydrophobicContact CE-CD1 4.39Å; M143-Y281 HydrophobicContact CE-CD2 4.24Å; M143-Y281 HydrophobicContact CE-CE1 3.85Å; M143-Y281 HydrophobicContact CE-CE2 3.63Å; M143-Y281 VanDerWaalsContact CE-CZ 3.42Å
144	G	98.4	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	144	172.3	0	0	0	0	0	111.9	E198 I199 Y200 N208	G144-E198 PolarHBondContact N-O 2.83Å; G144-I199 WeakPolarHBondContact O-CA 3.49Å; G144-Y200 PolarHBondContact O-N 3.26Å; G144-N208 CarbonylContact C-O 3.53Å; G144-N208 WeakPolarHBondContact CA-O 3.39Å
145	K	98.1	Very high	97.2	Very high	70 Å²	70	38.8 Å²	38.8	30%	0.304	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	100	169.6	-66.2	-169.1	176.8	-163	0	108.3	Y200 T202 Y207 N208 Y281	K145-Y200 CarbonylContact C-O 3.59Å; K145-Y200 WeakPolarHBondContact CA-O 3.45Å; K145-T202 HydrophobicContact CB-CG2 4.06Å; K145-Y207 WeakPolarHBondContact O-CD2 3.37Å; K145-N208 PolarHBondContact N-O 3.09Å; K145-N208 PolarHBondContact O-N 2.87Å; K145-Y281 WeakPolarHBondContact CE-OH 3.3Å
146	K	98.2	Very high	97.3	Very high	45 Å²	45	39 Å²	39	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.1	-175.9	-170.4	175	-173.2	167.4	0	109.9	V150 T152 D156 I199 Y200 T202 Y207	K146-V150 WeakPolarHBondContact CE-O 3.46Å; K146-V150 HydrophobicContact CG-CB 4.03Å; K146-V150 HydrophobicContact CG-CG1 4.29Å; K146-T152 PolarHBondContact NZ-OG1 3.36Å; K146-D156 IonicContact NZ-OD1 2.72Å; K146-D156 IonicContact NZ-OD2 3.3Å; K146-D156 PolarHBondContact NZ-OD2 2.93Å; K146-I199 HydrophobicContact CB-CG2 4.21Å; K146-Y200 PolarHBondContact N-O 2.77Å; K146-T202 PolarHBondContact O-N 2.92Å; K146-Y207 HydrophobicContact CB-CD1 4.4Å; K146-Y207 HydrophobicContact CB-CD2 3.95Å; K146-Y207 HydrophobicContact CB-CE1 4.15Å; K146-Y207 HydrophobicContact CB-CE2 3.66Å; K146-Y207 HydrophobicContact CB-CG 4.32Å; K146-Y207 HydrophobicContact CD-CD1 4.45Å; K146-Y207 HydrophobicContact CD-CE1 3.92Å; K146-Y207 HydrophobicContact CG-CD1 4.02Å; K146-Y207 HydrophobicContact CG-CD2 4.41Å; K146-Y207 HydrophobicContact CG-CE1 3.9Å; K146-Y207 HydrophobicContact CG-CE2 4.3Å; K146-Y207 HydrophobicContact CG-CG 4.28Å
147	G	97.7	Very high	97.3	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	145.8	173.4	0	0	0	0	0	111.7	F149 V150 T202 G204 E206	G147-F149 PolarHBondContact O-N 2.87Å; G147-V150 WeakPolarHBondContact O-CB 3.02Å; G147-V150 PolarHBondContact O-N 3.2Å; G147-T202 CarbonylContact C-O 3.57Å; G147-T202 WeakPolarHBondContact CA-O 3.44Å; G147-G204 CarbonylContact C-O 3.51Å; G147-G204 VanDerWaalsContact C-O 3.24Å; G147-G204 VanDerWaalsContact CA-O 3.27Å; G147-G204 WeakPolarHBondContact CA-O 3.34Å; G147-E206 WeakPolarHBondContact CA-O 3.47Å; G147-E206 PolarHBondContact N-O 2.75Å
148	Q	96.7	Very high	97.3	Very high	133 Å²	133	45 Å²	45	62%	0.621	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.2	179.5	-178.7	179.6	7.6	0	0	113.2	T202 G204	Q148-T202 PolarHBondContact N-O 2.87Å; Q148-G204 PolarHBondContact N-O 2.81Å; Q148-G204 VanDerWaalsContact N-O 3.17Å
149	F	96.9	Very high	97.3	Very high	58 Å²	58	45.6 Å²	45.6	25%	0.254	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	18.9	-178.2	-52.5	-53.9	0	0	0	112.9	I66 L68 L69 G147 G204	I66-F149 HydrophobicContact CD1-CE1 4.27Å; I66-F149 HydrophobicContact CG2-CD1 3.35Å; I66-F149 HydrophobicContact CG2-CE1 3.44Å; I66-F149 VanDerWaalsContact CG2-CE1 3.44Å; I66-F149 HydrophobicContact CG2-CG 3.96Å; I66-F149 HydrophobicContact CG2-CZ 4.11Å; L68-F149 CarbonylContact C-O 3.58Å; L68-F149 WeakPolarHBondContact CA-O 3.39Å; L68-F149 HydrophobicContact CD2-CB 4.05Å; L68-F149 HydrophobicContact CD2-CD1 4.03Å; L69-F149 PolarHBondContact N-O 2.95Å; G147-F149 PolarHBondContact O-N 2.87Å; F149-G204 PolarHBondContact N-O 3.49Å
150	V	97.8	Very high	97.3	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.8	172.3	-178.6	0	0	0	0	109.6	L69 V71 K146 G147 E206 Y207	L69-V150 HydrophobicContact CB-CG2 4.41Å; L69-V150 HydrophobicContact CD2-CG2 4.31Å; L69-V150 CarbonylContact O-C 3.46Å; L69-V150 WeakPolarHBondContact O-CA 3.44Å; V71-V150 HydrophobicContact CB-CG1 4.49Å; V71-V150 HydrophobicContact CG2-CG1 3.7Å; K146-V150 WeakPolarHBondContact CE-O 3.46Å; K146-V150 HydrophobicContact CG-CB 4.03Å; K146-V150 HydrophobicContact CG-CG1 4.29Å; G147-V150 WeakPolarHBondContact O-CB 3.02Å; G147-V150 PolarHBondContact O-N 3.2Å; V150-E206 VanDerWaalsContact CG2-C 3.48Å; V150-E206 WeakPolarHBondContact CG2-O 3.45Å; V150-Y207 HydrophobicContact CG1-CD1 3.97Å; V150-Y207 HydrophobicContact CG1-CG 4.39Å
151	W	97	Very high	97.3	Very high	136 Å²	136	45 Å²	45	52%	0.515	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	176	-71.9	7.7	0	0	0	109.8	L68 L69 K70 V71	L68-W151 HydrophobicContact CD1-CD2 3.86Å; L68-W151 HydrophobicContact CD1-CE3 3.86Å; L68-W151 HydrophobicContact CD1-CH2 3.44Å; L68-W151 VanDerWaalsContact CD1-CH2 3.44Å; L68-W151 HydrophobicContact CD1-CZ2 3.44Å; L68-W151 VanDerWaalsContact CD1-CZ2 3.44Å; L68-W151 HydrophobicContact CD1-CZ3 3.66Å; L68-W151 HydrophobicContact CD2-CZ2 4.2Å; L68-W151 HydrophobicContact CG-CZ2 4.46Å; L69-W151 PolarHBondContact O-N 3.49Å; K70-W151 CarbonylContact C-O 3.24Å; K70-W151 WeakPolarHBondContact CA-O 3.47Å; V71-W151 PolarHBondContact N-O 3.46Å
152	T	97.4	Very high	97.3	Very high	26 Å²	26	49.3 Å²	49.3	16%	0.16	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	151.9	171.3	52.6	0	0	0	0	109	V71 L76 K146 D156 Y207	V71-T152 HydrophobicContact CB-CG2 4.03Å; V71-T152 HydrophobicContact CG1-CG2 4.31Å; V71-T152 WeakPolarHBondContact O-CA 3.27Å; L76-T152 HydrophobicContact CD1-CG2 4.17Å; K146-T152 PolarHBondContact NZ-OG1 3.36Å; T152-D156 WeakPolarHBondContact CB-OD1 3.34Å; T152-D156 PolarHBondContact OG1-OD1 2.75Å; T152-D156 PolarHBondContact OG1-OD2 3.49Å; T152-Y207 HydrophobicContact CG2-CD1 4.28Å; T152-Y207 HydrophobicContact CG2-CE1 4.11Å
153	D	88.9	Confident	97.3	Very high	62 Å²	62	49.3 Å²	49.3	33%	0.332	26%	0.255	S	S	.	.	S	Bend	trans	-81.6	137	164.8	58.2	-47.1	0	0	0	110.5	D72 S73	D72-D153 WeakPolarHBondContact CA-OD1 3.37Å; S73-D153 WeakPolarHBondContact CB-OD1 3.18Å; S73-D153 WeakPolarHBondContact CB-OD2 3.4Å; S73-D153 PolarHBondContact N-OD1 3.27Å; S73-D153 PolarHBondContact OG-OD2 3.24Å
154	G	90.4	Very high	97.3	Very high	75 Å²	75	48.8 Å²	48.8	77%	0.773	25%	0.253	S	S	*	.	S	Bend	trans	72.4	-150.5	172	0	0	0	0	0	115.2
155	N	97	Very high	97.3	Very high	90 Å²	90	52.8 Å²	52.8	48%	0.481	27%	0.269	S	S	.	.			trans	-98.3	110.2	-176.5	-176.5	-16.2	0	0	0	110.6	A157 E158 S159	N155-A157 VanDerWaalsContact C-N 3.27Å; N155-A157 PolarHBondContact O-N 3.1Å; N155-A157 WeakPolarHBondContact OD1-CB 3.38Å; N155-A157 PolarHBondContact OD1-N 3.03Å; N155-E158 HydrophobicContact CB-CB 3.92Å; N155-E158 WeakPolarHBondContact O-CB 3.41Å; N155-E158 PolarHBondContact O-N 3.15Å; N155-E158 VanDerWaalsContact O-N 3.14Å; N155-E158 PolarHBondContact OD1-N 3.29Å; N155-S159 PolarHBondContact O-N 2.89Å; N155-S159 VanDerWaalsContact O-N 3.1Å; N155-S159 PolarHBondContact O-OG 3.26Å
156	D	98.5	Very high	97.3	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-41.7	-179.8	-63.6	2.2	0	0	0	112.2	L76 K146 T152 E158 S159 I160 I199 Y207	L76-D156 HydrophobicContact CD1-CB 3.82Å; K146-D156 IonicContact NZ-OD1 2.72Å; K146-D156 IonicContact NZ-OD2 3.3Å; K146-D156 PolarHBondContact NZ-OD2 2.93Å; T152-D156 WeakPolarHBondContact CB-OD1 3.34Å; T152-D156 PolarHBondContact OG1-OD1 2.75Å; T152-D156 PolarHBondContact OG1-OD2 3.49Å; D156-E158 VanDerWaalsContact C-N 3.34Å; D156-E158 PolarHBondContact O-N 3.07Å; D156-S159 PolarHBondContact O-N 2.92Å; D156-I160 WeakPolarHBondContact O-CB 3.22Å; D156-I160 WeakPolarHBondContact O-CD1 3.25Å; D156-I160 VanDerWaalsContact O-CG1 3.25Å; D156-I160 WeakPolarHBondContact O-CG1 3.44Å; D156-I160 PolarHBondContact O-N 3.43Å; D156-I199 HydrophobicContact CB-CD1 3.43Å; D156-I199 VanDerWaalsContact CB-CD1 3.43Å; D156-Y207 PolarHBondContact OD2-OH 2.95Å
157	A	98.5	Very high	97.4	Very high	30 Å²	30	49.4 Å²	49.4	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-69.5	-33	-178.3	0	0	0	0	0	112.3	N155 S161 I197	N155-A157 VanDerWaalsContact C-N 3.27Å; N155-A157 PolarHBondContact O-N 3.1Å; N155-A157 WeakPolarHBondContact OD1-CB 3.38Å; N155-A157 PolarHBondContact OD1-N 3.03Å; A157-S161 VanDerWaalsContact O-CB 3.26Å; A157-S161 WeakPolarHBondContact O-CB 3.3Å; A157-S161 PolarHBondContact O-N 2.76Å; A157-S161 PolarHBondContact O-OG 2.64Å; A157-I197 HydrophobicContact CB-CB 4.41Å; A157-I197 HydrophobicContact CB-CD1 4.1Å; A157-I197 HydrophobicContact CB-CG2 3.98Å; A157-I197 VanDerWaalsContact O-CD1 3.23Å; A157-I197 WeakPolarHBondContact O-CD1 3.34Å
158	E	98.6	Very high	97.4	Very high	121 Å²	121	49.5 Å²	49.5	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-45.1	173	-176.5	177.3	-174	0	0	110.9	N155 D156 S161 R162	N155-E158 HydrophobicContact CB-CB 3.92Å; N155-E158 WeakPolarHBondContact O-CB 3.41Å; N155-E158 PolarHBondContact O-N 3.15Å; N155-E158 VanDerWaalsContact O-N 3.14Å; N155-E158 PolarHBondContact OD1-N 3.29Å; D156-E158 VanDerWaalsContact C-N 3.34Å; D156-E158 PolarHBondContact O-N 3.07Å; E158-S161 CarbonylContact O-C 3.45Å; E158-S161 WeakPolarHBondContact O-CB 3.3Å; E158-S161 PolarHBondContact O-N 3.5Å; E158-R162 PolarHBondContact O-N 2.9Å
159	S	98.7	Very high	97.5	Very high	14 Å²	14	45.3 Å²	45.3	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-42.1	179.2	-55.6	0	0	0	0	112.2	S73 T77 N155 D156 R162 G163	S73-S159 WeakPolarHBondContact CB-OG 3.31Å; T77-S159 WeakPolarHBondContact CA-O 3.35Å; T77-S159 PolarHBondContact OG1-O 3.37Å; N155-S159 PolarHBondContact O-N 2.89Å; N155-S159 VanDerWaalsContact O-N 3.1Å; N155-S159 PolarHBondContact O-OG 3.26Å; D156-S159 PolarHBondContact O-N 2.92Å; S159-R162 WeakPolarHBondContact O-CB 3.29Å; S159-R162 PolarHBondContact O-N 3.15Å; S159-G163 PolarHBondContact O-N 3.09Å
160	I	98.8	Very high	97.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-43.5	172.6	-68	162.2	0	0	0	110.6	L76 S80 C142 D156 R162 G163 I164 I197 I199 F209 F211	L76-I160 HydrophobicContact CB-CG1 4.21Å; S80-I160 PolarHBondContact OG-O 2.87Å; C142-I160 HydrophobicContact CB-CG2 3.97Å; D156-I160 WeakPolarHBondContact O-CB 3.22Å; D156-I160 WeakPolarHBondContact O-CD1 3.25Å; D156-I160 VanDerWaalsContact O-CG1 3.25Å; D156-I160 WeakPolarHBondContact O-CG1 3.44Å; D156-I160 PolarHBondContact O-N 3.43Å; I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 3.14Å; I160-G163 PolarHBondContact O-N 2.9Å; I160-I164 HydrophobicContact CG2-CD1 3.9Å; I160-I164 WeakPolarHBondContact O-CG1 3.4Å; I160-I164 PolarHBondContact O-N 3.44Å; I160-I164 VanDerWaalsContact O-N 3.16Å; I160-I197 HydrophobicContact CB-CD1 4Å; I160-I197 HydrophobicContact CD1-CG2 4.1Å; I160-I197 HydrophobicContact CG2-CD1 3.73Å; I160-I197 HydrophobicContact CG2-CG1 4.09Å; I160-I199 HydrophobicContact CD1-CD1 4.37Å; I160-F209 HydrophobicContact CD1-CE1 4.21Å; I160-F211 HydrophobicContact CG2-CE1 4.37Å
161	S	98.9	Very high	97.5	Very high	30 Å²	30	49.3 Å²	49.3	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-34.5	176.8	-62.7	0	0	0	0	112	A157 E158 I164 Y165 I197	A157-S161 VanDerWaalsContact O-CB 3.26Å; A157-S161 WeakPolarHBondContact O-CB 3.3Å; A157-S161 PolarHBondContact O-N 2.76Å; A157-S161 PolarHBondContact O-OG 2.64Å; E158-S161 CarbonylContact O-C 3.45Å; E158-S161 WeakPolarHBondContact O-CB 3.3Å; E158-S161 PolarHBondContact O-N 3.5Å; S161-I164 PolarHBondContact O-N 3.37Å; S161-Y165 VanDerWaalsContact O-CB 3.31Å; S161-Y165 WeakPolarHBondContact O-CB 3.1Å; S161-Y165 PolarHBondContact O-N 3.32Å; S161-I197 VanDerWaalsContact OG-CD1 3.22Å; S161-I197 WeakPolarHBondContact OG-CD1 3.09Å
162	R	98.8	Very high	97.6	Very high	115 Å²	115	46.6 Å²	46.6	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-47.1	175.8	179.7	61.1	63.2	-168.5	1.1	111.7	T77 E158 S159 I160 I164 Y165 N166	T77-R162 HydrophobicContact CG2-CB 4.21Å; T77-R162 HydrophobicContact CG2-CG 3.75Å; E158-R162 PolarHBondContact O-N 2.9Å; S159-R162 WeakPolarHBondContact O-CB 3.29Å; S159-R162 PolarHBondContact O-N 3.15Å; I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 3.14Å; R162-I164 VanDerWaalsContact C-N 3.34Å; R162-I164 PolarHBondContact O-N 2.95Å; R162-Y165 WeakPolarHBondContact O-CB 3.19Å; R162-Y165 PolarHBondContact O-N 3.22Å; R162-N166 WeakPolarHBondContact CD-OD1 3.41Å; R162-N166 WeakPolarHBondContact O-CB 3.33Å; R162-N166 PolarHBondContact O-N 2.94Å; R162-N166 PolarHBondContact O-OD1 3.42Å
163	G	98.8	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-36.2	178.7	0	0	0	0	0	113.1	T77 S80 E81 S159 I160 N166 T167	T77-G163 WeakPolarHBondContact O-CA 2.95Å; S80-G163 WeakPolarHBondContact OG-CA 3.11Å; E81-G163 WeakPolarHBondContact CA-O 3.45Å; S159-G163 PolarHBondContact O-N 3.09Å; I160-G163 PolarHBondContact O-N 2.9Å; G163-N166 PolarHBondContact O-N 2.83Å; G163-T167 PolarHBondContact O-N 3Å; G163-T167 PolarHBondContact O-OG1 3.39Å
164	I	98.9	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-48.8	171.4	-65	166	0	0	0	110.2	M84 A140 I160 S161 R162 N166 T167 Y168 L193 A195	M84-I164 HydrophobicContact CG-CG1 3.94Å; A140-I164 HydrophobicContact CB-CD1 3.84Å; A140-I164 HydrophobicContact CB-CG1 4.22Å; A140-I164 HydrophobicContact CB-CG2 3.64Å; I160-I164 HydrophobicContact CG2-CD1 3.9Å; I160-I164 WeakPolarHBondContact O-CG1 3.4Å; I160-I164 PolarHBondContact O-N 3.44Å; I160-I164 VanDerWaalsContact O-N 3.16Å; S161-I164 PolarHBondContact O-N 3.37Å; R162-I164 VanDerWaalsContact C-N 3.34Å; R162-I164 PolarHBondContact O-N 2.95Å; I164-N166 PolarHBondContact O-N 3.17Å; I164-T167 WeakPolarHBondContact O-CB 3.22Å; I164-T167 PolarHBondContact O-N 3.25Å; I164-Y168 HydrophobicContact CG2-CD2 3.88Å; I164-Y168 HydrophobicContact CG2-CE2 4.08Å; I164-Y168 WeakPolarHBondContact O-CD2 3.22Å; I164-Y168 PolarHBondContact O-N 3.19Å; I164-L193 HydrophobicContact CB-CD2 4.27Å; I164-L193 HydrophobicContact CG2-CD2 3.8Å; I164-A195 HydrophobicContact CD1-CB 3.45Å; I164-A195 VanDerWaalsContact CD1-CB 3.45Å
165	Y	98.9	Very high	98.5	Very high	84 Å²	84	41.7 Å²	41.7	33%	0.329	21%	0.206	S	C	.	.	H	α-helix	trans	-56.1	-49.5	175.9	175.1	-87.4	0	0	0	111.6	S161 R162 T167 Y168 T169 T191 L193	S161-Y165 VanDerWaalsContact O-CB 3.31Å; S161-Y165 WeakPolarHBondContact O-CB 3.1Å; S161-Y165 PolarHBondContact O-N 3.32Å; R162-Y165 WeakPolarHBondContact O-CB 3.19Å; R162-Y165 PolarHBondContact O-N 3.22Å; Y165-T167 VanDerWaalsContact C-N 3.28Å; Y165-T167 PolarHBondContact O-N 3.38Å; Y165-Y168 PolarHBondContact O-N 2.88Å; Y165-T169 HydrophobicContact CD1-CG2 4.26Å; Y165-T169 HydrophobicContact CD2-CG2 4.05Å; Y165-T169 HydrophobicContact CE1-CG2 3.97Å; Y165-T169 HydrophobicContact CE2-CG2 3.77Å; Y165-T169 HydrophobicContact CG-CG2 4.29Å; Y165-T169 WeakPolarHBondContact O-CB 3.31Å; Y165-T169 WeakPolarHBondContact O-CG2 3.49Å; Y165-T169 PolarHBondContact O-N 3.45Å; Y165-T169 PolarHBondContact O-OG1 3.05Å; Y165-T191 HydrophobicContact CD2-CG2 3.87Å; Y165-T191 HydrophobicContact CE2-CG2 3.49Å; Y165-T191 VanDerWaalsContact CE2-CG2 3.49Å; Y165-L193 HydrophobicContact CD2-CD1 4.19Å
166	N	98.8	Very high	98.5	Very high	44 Å²	44	38.4 Å²	38.4	24%	0.235	19%	0.191	C	C	.	.	H	α-helix	trans	-55.4	-45.7	178.7	-68.8	-4.3	0	0	0	110.8	E81 R162 G163 I164 T169 S170	E81-N166 HydrophobicContact CG-CB 4.26Å; E81-N166 VanDerWaalsContact OE2-CB 3.29Å; E81-N166 WeakPolarHBondContact OE2-CB 3.35Å; E81-N166 PolarHBondContact OE2-ND2 2.79Å; R162-N166 WeakPolarHBondContact CD-OD1 3.41Å; R162-N166 WeakPolarHBondContact O-CB 3.33Å; R162-N166 PolarHBondContact O-N 2.94Å; R162-N166 PolarHBondContact O-OD1 3.42Å; G163-N166 PolarHBondContact O-N 2.83Å; I164-N166 PolarHBondContact O-N 3.17Å; N166-T169 PolarHBondContact O-OG1 3.49Å; N166-S170 WeakPolarHBondContact O-CB 3.31Å; N166-S170 PolarHBondContact O-N 2.94Å; N166-S170 PolarHBondContact O-OG 2.85Å
167	T	98.7	Very high	98.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-54.2	178.9	-56.7	0	0	0	0	111.8	E81 M84 I85 G163 I164 Y165 T169 S170 K171 L173	E81-T167 VanDerWaalsContact CA-OG1 3.25Å; E81-T167 WeakPolarHBondContact CA-OG1 3.37Å; E81-T167 WeakPolarHBondContact CG-OG1 3.32Å; E81-T167 PolarHBondContact O-OG1 3.26Å; E81-T167 VanDerWaalsContact O-OG1 3.08Å; M84-T167 HydrophobicContact CB-CG2 3.66Å; I85-T167 HydrophobicContact CG1-CG2 3.59Å; G163-T167 PolarHBondContact O-N 3Å; G163-T167 PolarHBondContact O-OG1 3.39Å; I164-T167 WeakPolarHBondContact O-CB 3.22Å; I164-T167 PolarHBondContact O-N 3.25Å; Y165-T167 VanDerWaalsContact C-N 3.28Å; Y165-T167 PolarHBondContact O-N 3.38Å; T167-T169 VanDerWaalsContact C-N 3.29Å; T167-T169 PolarHBondContact O-N 2.94Å; T167-S170 PolarHBondContact O-N 3.14Å; T167-K171 HydrophobicContact CG2-CG 4.32Å; T167-K171 VanDerWaalsContact O-CB 3.25Å; T167-K171 WeakPolarHBondContact O-CB 3.35Å; T167-K171 WeakPolarHBondContact O-CG 3.1Å; T167-K171 PolarHBondContact O-N 3.34Å; T167-L173 HydrophobicContact CG2-CD1 3.72Å
168	Y	98.7	Very high	98.5	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-30	-173.6	-85.1	-95.2	0	0	0	112.2	M84 T137 G138 I164 Y165 L173 Y175 T191 N192 K455	M84-Y168 HydrophobicContact CG-CE2 4.43Å; M84-Y168 HydrophobicContact SD-CE2 4.45Å; T137-Y168 PolarHBondContact O-OH 3.06Å; T137-Y168 WeakPolarHBondContact OG1-CE1 3.28Å; G138-Y168 PolarHBondContact O-OH 3.07Å; I164-Y168 HydrophobicContact CG2-CD2 3.88Å; I164-Y168 HydrophobicContact CG2-CE2 4.08Å; I164-Y168 WeakPolarHBondContact O-CD2 3.22Å; I164-Y168 PolarHBondContact O-N 3.19Å; Y165-Y168 PolarHBondContact O-N 2.88Å; Y168-L173 HydrophobicContact CD1-CB 3.8Å; Y168-L173 HydrophobicContact CD1-CD1 4.05Å; Y168-L173 HydrophobicContact CD2-CD1 4.24Å; Y168-L173 HydrophobicContact CE1-CB 4.05Å; Y168-L173 HydrophobicContact CE1-CD1 4.02Å; Y168-L173 HydrophobicContact CE2-CD1 4.21Å; Y168-L173 HydrophobicContact CG-CB 4.49Å; Y168-L173 HydrophobicContact CG-CD1 4.18Å; Y168-Y175 VanDerWaalsContact O-CE1 3.24Å; Y168-Y175 WeakPolarHBondContact O-CE1 3.25Å; Y168-Y175 PolarHBondContact O-OH 3.28Å; Y168-T191 WeakPolarHBondContact CB-O 3.25Å; Y168-N192 HydrophobicContact CD1-CB 3.34Å; Y168-N192 HydrophobicContact CD2-CB 4.42Å; Y168-N192 HydrophobicContact CE1-CB 3.69Å; Y168-N192 VanDerWaalsContact CE1-CG 3.47Å; Y168-N192 WeakPolarHBondContact CE1-ND2 3.48Å; Y168-N192 HydrophobicContact CG-CB 3.75Å; Y168-N192 PolarHBondContact OH-ND2 3.03Å; Y168-K455 WeakPolarHBondContact O-CE 3.44Å; Y168-K455 PolarHBondContact O-NZ 2.8Å
169	T	98.4	Very high	98.4	Very high	46 Å²	46	36.2 Å²	36.2	28%	0.282	18%	0.184	S	C	.	.	H	α-helix	trans	-81.4	-38.5	177.8	55.6	0	0	0	0	112.9	Y165 N166 T167 K455	Y165-T169 HydrophobicContact CD1-CG2 4.26Å; Y165-T169 HydrophobicContact CD2-CG2 4.05Å; Y165-T169 HydrophobicContact CE1-CG2 3.97Å; Y165-T169 HydrophobicContact CE2-CG2 3.77Å; Y165-T169 HydrophobicContact CG-CG2 4.29Å; Y165-T169 WeakPolarHBondContact O-CB 3.31Å; Y165-T169 WeakPolarHBondContact O-CG2 3.49Å; Y165-T169 PolarHBondContact O-N 3.45Å; Y165-T169 PolarHBondContact O-OG1 3.05Å; N166-T169 PolarHBondContact O-OG1 3.49Å; T167-T169 VanDerWaalsContact C-N 3.29Å; T167-T169 PolarHBondContact O-N 2.94Å; T169-K455 PolarHBondContact O-NZ 3.34Å; T169-K455 VanDerWaalsContact O-NZ 3.1Å
170	S	97.5	Very high	98.4	Very high	71 Å²	71	40.2 Å²	40.2	50%	0.497	21%	0.21	S	C	.	.	H	α-helix	trans	-86.3	-28	-177.6	69.1	0	0	0	0	115	N166 T167	N166-S170 WeakPolarHBondContact O-CB 3.31Å; N166-S170 PolarHBondContact O-N 2.94Å; N166-S170 PolarHBondContact O-OG 2.85Å; T167-S170 PolarHBondContact O-N 3.14Å
171	K	97.9	Very high	98.3	Very high	74 Å²	74	45.7 Å²	45.7	32%	0.322	24%	0.238	S	C	.	.	S	Bend	trans	-97.3	163.9	179.7	-58.3	-57	-175.9	178.9	0	112	I85 T167 L173 K455	I85-K171 HydrophobicContact CG1-CG 4.13Å; T167-K171 HydrophobicContact CG2-CG 4.32Å; T167-K171 VanDerWaalsContact O-CB 3.25Å; T167-K171 WeakPolarHBondContact O-CB 3.35Å; T167-K171 WeakPolarHBondContact O-CG 3.1Å; T167-K171 PolarHBondContact O-N 3.34Å; K171-L173 HydrophobicContact CB-CD1 4.48Å; K171-L173 HydrophobicContact CB-CG 3.97Å; K171-L173 PolarHBondContact O-N 3.42Å; K171-K455 WeakPolarHBondContact O-CE 3.4Å; K171-K455 PolarHBondContact O-NZ 2.94Å
172	Y	98.2	Very high	98.2	Very high	79 Å²	79	48.1 Å²	48.1	31%	0.31	25%	0.249	S	C	.	.	S	Bend	trans	-79.2	47.5	-179.7	-55.4	-62.1	0	0	0	113.2	V130 P457 M458	V130-Y172 HydrophobicContact CG1-CD2 4.23Å; V130-Y172 HydrophobicContact CG1-CE2 4.45Å; Y172-P457 HydrophobicContact CD1-CB 4.3Å; Y172-P457 HydrophobicContact CD1-CG 4.45Å; Y172-P457 HydrophobicContact CD2-CB 3.64Å; Y172-P457 HydrophobicContact CD2-CG 3.76Å; Y172-P457 HydrophobicContact CE1-CB 4.36Å; Y172-P457 HydrophobicContact CE2-CB 3.68Å; Y172-P457 HydrophobicContact CE2-CG 4.32Å; Y172-P457 HydrophobicContact CG-CB 3.95Å; Y172-P457 HydrophobicContact CG-CG 3.82Å; Y172-M458 PolarHBondContact OH-N 3.45Å
173	L	98.6	Very high	98.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.			trans	-91	-174.3	178.3	-55.9	-170.8	0	0	0	111.9	A88 P132 T137 T167 Y168 K171 K455	A88-L173 HydrophobicContact CB-CD1 4.31Å; A88-L173 HydrophobicContact CB-CD2 3.72Å; P132-L173 HydrophobicContact CB-CD2 3.72Å; P132-L173 HydrophobicContact CG-CD2 3.98Å; T137-L173 HydrophobicContact CG2-CB 3.8Å; T137-L173 HydrophobicContact CG2-CD2 3.74Å; T137-L173 HydrophobicContact CG2-CG 4.24Å; T167-L173 HydrophobicContact CG2-CD1 3.72Å; Y168-L173 HydrophobicContact CD1-CB 3.8Å; Y168-L173 HydrophobicContact CD1-CD1 4.05Å; Y168-L173 HydrophobicContact CD2-CD1 4.24Å; Y168-L173 HydrophobicContact CE1-CB 4.05Å; Y168-L173 HydrophobicContact CE1-CD1 4.02Å; Y168-L173 HydrophobicContact CE2-CD1 4.21Å; Y168-L173 HydrophobicContact CG-CB 4.49Å; Y168-L173 HydrophobicContact CG-CD1 4.18Å; K171-L173 HydrophobicContact CB-CD1 4.48Å; K171-L173 HydrophobicContact CB-CG 3.97Å; K171-L173 PolarHBondContact O-N 3.42Å; L173-K455 WeakPolarHBondContact O-CB 3.13Å; L173-K455 WeakPolarHBondContact O-CE 3.31Å; L173-K455 VanDerWaalsContact O-CG 3.22Å; L173-K455 WeakPolarHBondContact O-CG 3.18Å; L173-K455 PolarHBondContact O-N 3.31Å; L173-K455 VanDerWaalsContact O-N 3.15Å
174	R	98.6	Very high	98	Very high	9 Å²	9	58.1 Å²	58.1	3%	0.034	30%	0.302	C	S	.	.			trans	-118	137.6	-178	-163.1	178.3	73.8	-177.8	0.4	112.8	Q135 D136 T137 S176 N192 G452 P453 A454 M539	Q135-R174 WeakPolarHBondContact O-CB 3.23Å; Q135-R174 WeakPolarHBondContact O-CD 3.29Å; Q135-R174 PolarHBondContact O-NE 2.83Å; D136-R174 VanDerWaalsContact CB-NH2 3.32Å; D136-R174 VanDerWaalsContact CG-NH2 3.26Å; D136-R174 IonicContact OD1-NH2 3.28Å; D136-R174 PolarHBondContact OD1-NH2 3.09Å; T137-R174 HydrophobicContact CG2-CB 4.44Å; T137-R174 WeakPolarHBondContact OG1-CA 3.26Å; T137-R174 WeakPolarHBondContact OG1-CB 3.37Å; T137-R174 PolarHBondContact OG1-N 2.56Å; T137-R174 PolarHBondContact OG1-O 3.26Å; R174-S176 PolarHBondContact NE-OG 3.12Å; R174-S176 PolarHBondContact NH2-OG 3.43Å; R174-S176 PolarHBondContact O-N 3.06Å; R174-N192 PolarHBondContact O-OD1 3.26Å; R174-G452 PolarHBondContact NH1-O 3.48Å; R174-P453 WeakPolarHBondContact CD-O 3.22Å; R174-P453 WeakPolarHBondContact CG-O 3.43Å; R174-A454 HydrophobicContact CB-CB 4.22Å; R174-M539 HydrophobicContact CG-CB 3.92Å; R174-M539 HydrophobicContact CG-CG 3.93Å
175	Y	98.5	Very high	97.8	Very high	52 Å²	52	61.4 Å²	61.4	20%	0.204	32%	0.322	C	S	.	.			trans	-84.9	107.6	169.4	-46.9	-44.6	0	0	0	110	Y168 N188 C190 N192 K455	Y168-Y175 VanDerWaalsContact O-CE1 3.24Å; Y168-Y175 WeakPolarHBondContact O-CE1 3.25Å; Y168-Y175 PolarHBondContact O-OH 3.28Å; Y175-N188 WeakPolarHBondContact CB-OD1 3.29Å; Y175-N188 PolarHBondContact O-ND2 3.39Å; Y175-C190 HydrophobicContact CD2-CB 4.35Å; Y175-C190 VanDerWaalsContact CD2-O 3.26Å; Y175-C190 WeakPolarHBondContact CD2-O 3.36Å; Y175-C190 WeakPolarHBondContact CE2-O 3.22Å; Y175-C190 VanDerWaalsContact CZ-O 3.24Å; Y175-N192 HydrophobicContact CD1-CB 4.22Å; Y175-K455 HydrophobicContact CE2-CD 4.21Å; Y175-K455 PolarHBondContact OH-NZ 2.94Å
176	S	98.4	Very high	97.6	Very high	21 Å²	21	62.9 Å²	62.9	15%	0.147	33%	0.332	C	S	.	.			trans	-117.6	-7.4	-170.3	-49.1	0	0	0	0	113.7	R174 N192	R174-S176 PolarHBondContact NE-OG 3.12Å; R174-S176 PolarHBondContact NH2-OG 3.43Å; R174-S176 PolarHBondContact O-N 3.06Å; S176-N192 WeakPolarHBondContact CA-OD1 3.48Å; S176-N192 WeakPolarHBondContact CB-OD1 3.38Å; S176-N192 PolarHBondContact N-OD1 3.28Å
177	Q	98.3	Very high	97.5	Very high	34 Å²	34	67.3 Å²	67.3	16%	0.159	35%	0.349	C	S	.	.			trans	-81.9	132.9	176.4	-55.5	-47	-59.8	0	0	110.5	T139 T189 N192 L193	T139-Q177 PolarHBondContact OG1-NE2 3.16Å; T139-Q177 PolarHBondContact OG1-OE1 2.8Å; Q177-T189 HydrophobicContact CB-CG2 4.5Å; Q177-T189 PolarHBondContact O-N 2.93Å; Q177-T189 VanDerWaalsContact O-N 3.15Å; Q177-N192 WeakPolarHBondContact CG-O 3.31Å; Q177-N192 PolarHBondContact N-OD1 3.22Å; Q177-L193 VanDerWaalsContact CB-O 3.29Å; Q177-L193 WeakPolarHBondContact CB-O 3.43Å
178	V	97.1	Very high	97.5	Very high	50 Å²	50	68.4 Å²	68.4	30%	0.303	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121	-179.4	-176.4	0	0	0	0	107.4	E186	V178-E186 HydrophobicContact CG1-CB 3.46Å; V178-E186 VanDerWaalsContact CG1-CB 3.46Å; V178-E186 VanDerWaalsContact CG1-CD 3.45Å; V178-E186 HydrophobicContact CG1-CG 3.79Å; V178-E186 WeakPolarHBondContact CG1-OE2 3.41Å
179	A	97.7	Very high	97.4	Very high	34 Å²	34	70.1 Å²	70.1	28%	0.281	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.8	-178.9	0	0	0	0	0	110.1	L181 E186 K187 T189	A179-L181 PolarHBondContact O-N 3.34Å; A179-E186 CarbonylContact O-C 3.56Å; A179-E186 WeakPolarHBondContact O-CA 3.47Å; A179-K187 PolarHBondContact N-O 3.39Å; A179-K187 PolarHBondContact O-N 2.97Å; A179-T189 HydrophobicContact CB-CG2 3.87Å
180	P	97.5	Very high	97.4	Very high	98 Å²	98	71.4 Å²	71.4	64%	0.636	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	128	169.6	29.6	-32.9	0	0	0	109.5	D182	P180-D182 WeakPolarHBondContact CB-O 3.48Å
181	L	97.2	Very high	97.4	Very high	116 Å²	116	69.4 Å²	69.4	61%	0.607	36%	0.361	S	S	*	.	S	Bend	trans	-89.6	-34.5	168.5	-56.9	-174.1	0	0	0	110.6	A179 T185 K187	A179-L181 PolarHBondContact O-N 3.34Å; L181-T185 HydrophobicContact CB-CG2 4.49Å; L181-T185 HydrophobicContact CD1-CG2 4.12Å; L181-T185 PolarHBondContact N-O 3.48Å; L181-K187 HydrophobicContact CD1-CB 4.23Å; L181-K187 HydrophobicContact CD2-CB 4.29Å; L181-K187 HydrophobicContact CG-CB 4.32Å
182	D	97.7	Very high	97.5	Very high	81 Å²	81	65.9 Å²	65.9	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	-145.2	-159	168	61.5	56.3	0	0	0	108.5	P180 F184 T185	P180-D182 WeakPolarHBondContact CB-O 3.48Å; D182-F184 VanDerWaalsContact C-N 3.29Å; D182-F184 PolarHBondContact O-N 2.92Å; D182-F184 PolarHBondContact OD1-N 3.32Å; D182-T185 PolarHBondContact N-O 3.41Å; D182-T185 PolarHBondContact OD1-N 2.92Å; D182-T185 PolarHBondContact OD1-OG1 3.01Å; D182-T185 WeakPolarHBondContact OD2-CB 3.39Å; D182-T185 PolarHBondContact OD2-OG1 3.16Å
183	L	96.8	Very high	97.5	Very high	148 Å²	148	63.8 Å²	63.8	78%	0.775	34%	0.34	S	S	*	.	S	Bend	trans	-64.9	-28.3	-179.3	-176.2	59.4	0	0	0	114
184	F	95.4	Very high	97.5	Very high	176 Å²	176	68.3 Å²	68.3	77%	0.772	37%	0.369	S	S	*	.	S	Bend	trans	-125.6	-29.9	-171.7	-52.8	-65.2	0	0	0	113.3	D182	D182-F184 VanDerWaalsContact C-N 3.29Å; D182-F184 PolarHBondContact O-N 2.92Å; D182-F184 PolarHBondContact OD1-N 3.32Å
185	T	94.2	Very high	97.5	Very high	70 Å²	70	68.7 Å²	68.7	43%	0.429	37%	0.374	S	S	.	.			trans	-85	130.4	-179.2	-46.4	0	0	0	0	110.2	L181 D182	L181-T185 HydrophobicContact CB-CG2 4.49Å; L181-T185 HydrophobicContact CD1-CG2 4.12Å; L181-T185 PolarHBondContact N-O 3.48Å; D182-T185 PolarHBondContact N-O 3.41Å; D182-T185 PolarHBondContact OD1-N 2.92Å; D182-T185 PolarHBondContact OD1-OG1 3.01Å; D182-T185 WeakPolarHBondContact OD2-CB 3.39Å; D182-T185 PolarHBondContact OD2-OG1 3.16Å
186	E	96.6	Very high	97.5	Very high	114 Å²	114	70.8 Å²	70.8	53%	0.533	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.9	-173.7	-79	-171.9	146.4	0	0	112	V178 A179	V178-E186 HydrophobicContact CG1-CB 3.46Å; V178-E186 VanDerWaalsContact CG1-CB 3.46Å; V178-E186 VanDerWaalsContact CG1-CD 3.45Å; V178-E186 HydrophobicContact CG1-CG 3.79Å; V178-E186 WeakPolarHBondContact CG1-OE2 3.41Å; A179-E186 CarbonylContact O-C 3.56Å; A179-E186 WeakPolarHBondContact O-CA 3.47Å
187	K	95.9	Very high	97.5	Very high	137 Å²	137	71.8 Å²	71.8	60%	0.596	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.2	173.3	-171.7	176.6	179.6	177.1	0	111.4	A179 L181 T189	A179-K187 PolarHBondContact N-O 3.39Å; A179-K187 PolarHBondContact O-N 2.97Å; L181-K187 HydrophobicContact CD1-CB 4.23Å; L181-K187 HydrophobicContact CD2-CB 4.29Å; L181-K187 HydrophobicContact CG-CB 4.32Å; K187-T189 PolarHBondContact O-N 2.89Å
188	N	97.5	Very high	97.5	Very high	23 Å²	23	72.8 Å²	72.8	12%	0.123	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134	170.3	-165.5	-59.7	0	0	0	109.7	Y175 C190	Y175-N188 WeakPolarHBondContact CB-OD1 3.29Å; Y175-N188 PolarHBondContact O-ND2 3.39Å; N188-C190 PolarHBondContact O-N 2.99Å; N188-C190 WeakPolarHBondContact OD1-CA 3.29Å; N188-C190 PolarHBondContact OD1-N 3.24Å
189	T	97.8	Very high	97.6	Very high	40 Å²	40	73.4 Å²	73.4	25%	0.245	39%	0.394	C	S	.	.			trans	-74.5	-6.1	-179.4	63.4	0	0	0	0	113.4	Q177 A179 K187 T191 L193	Q177-T189 HydrophobicContact CB-CG2 4.5Å; Q177-T189 PolarHBondContact O-N 2.93Å; Q177-T189 VanDerWaalsContact O-N 3.15Å; A179-T189 HydrophobicContact CB-CG2 3.87Å; K187-T189 PolarHBondContact O-N 2.89Å; T189-T191 WeakPolarHBondContact O-CG2 3.34Å; T189-T191 PolarHBondContact O-N 3.42Å; T189-T191 PolarHBondContact O-OG1 3Å; T189-T191 VanDerWaalsContact O-OG1 3.12Å; T189-L193 VanDerWaalsContact CB-O 3.24Å; T189-L193 WeakPolarHBondContact CB-O 3.3Å; T189-L193 WeakPolarHBondContact CG2-O 3.34Å; T189-L193 PolarHBondContact OG1-O 2.95Å
190	C	97.4	Very high	97.6	Very high	73 Å²	73	76.1 Å²	76.1	49%	0.493	40%	0.398	S	S	.	.	S	Bend	trans	55.4	18	177.4	-62.6	0	0	0	0	114.7	Y175 N188	Y175-C190 HydrophobicContact CD2-CB 4.35Å; Y175-C190 VanDerWaalsContact CD2-O 3.26Å; Y175-C190 WeakPolarHBondContact CD2-O 3.36Å; Y175-C190 WeakPolarHBondContact CE2-O 3.22Å; Y175-C190 VanDerWaalsContact CZ-O 3.24Å; N188-C190 PolarHBondContact O-N 2.99Å; N188-C190 WeakPolarHBondContact OD1-CA 3.29Å; N188-C190 PolarHBondContact OD1-N 3.24Å
191	T	98.4	Very high	97.6	Very high	29 Å²	29	77.2 Å²	77.2	18%	0.178	41%	0.408	C	S	.	.	S	Bend	trans	-141.1	-8.4	-176	56.1	0	0	0	0	112.5	Y165 Y168 T189 L193	Y165-T191 HydrophobicContact CD2-CG2 3.87Å; Y165-T191 HydrophobicContact CE2-CG2 3.49Å; Y165-T191 VanDerWaalsContact CE2-CG2 3.49Å; Y168-T191 WeakPolarHBondContact CB-O 3.25Å; T189-T191 WeakPolarHBondContact O-CG2 3.34Å; T189-T191 PolarHBondContact O-N 3.42Å; T189-T191 PolarHBondContact O-OG1 3Å; T189-T191 VanDerWaalsContact O-OG1 3.12Å; T191-L193 PolarHBondContact O-N 3.43Å; T191-L193 PolarHBondContact OG1-N 2.84Å
192	N	98.7	Very high	97.5	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.397	C	S	.	.			trans	61.8	14.2	-169.2	-152.3	56.9	0	0	0	115.1	G138 Y168 R174 Y175 S176 Q177	G138-N192 PolarHBondContact O-ND2 3.35Å; Y168-N192 HydrophobicContact CD1-CB 3.34Å; Y168-N192 HydrophobicContact CD2-CB 4.42Å; Y168-N192 HydrophobicContact CE1-CB 3.69Å; Y168-N192 VanDerWaalsContact CE1-CG 3.47Å; Y168-N192 WeakPolarHBondContact CE1-ND2 3.48Å; Y168-N192 HydrophobicContact CG-CB 3.75Å; Y168-N192 PolarHBondContact OH-ND2 3.03Å; R174-N192 PolarHBondContact O-OD1 3.26Å; Y175-N192 HydrophobicContact CD1-CB 4.22Å; S176-N192 WeakPolarHBondContact CA-OD1 3.48Å; S176-N192 WeakPolarHBondContact CB-OD1 3.38Å; S176-N192 PolarHBondContact N-OD1 3.28Å; Q177-N192 WeakPolarHBondContact CG-O 3.31Å; Q177-N192 PolarHBondContact N-OD1 3.22Å
193	L	98.7	Very high	97.3	Very high	35 Å²	35	75.2 Å²	75.2	18%	0.183	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-88	161.1	165.9	-67.6	-173.5	0	0	0	110.8	I164 Y165 Q177 T189 T191 A195	I164-L193 HydrophobicContact CB-CD2 4.27Å; I164-L193 HydrophobicContact CG2-CD2 3.8Å; Y165-L193 HydrophobicContact CD2-CD1 4.19Å; Q177-L193 VanDerWaalsContact CB-O 3.29Å; Q177-L193 WeakPolarHBondContact CB-O 3.43Å; T189-L193 VanDerWaalsContact CB-O 3.24Å; T189-L193 WeakPolarHBondContact CB-O 3.3Å; T189-L193 WeakPolarHBondContact CG2-O 3.34Å; T189-L193 PolarHBondContact OG1-O 2.95Å; T191-L193 PolarHBondContact O-N 3.43Å; T191-L193 PolarHBondContact OG1-N 2.84Å; L193-A195 HydrophobicContact CD2-CB 4.32Å
194	P	98.8	Very high	97.2	Very high	95 Å²	95	69.6 Å²	69.6	62%	0.617	39%	0.385	S	S	*	.	P	Polyproline II helix	cis	-70.6	153.7	-2.4	31.4	-35.9	0	0	0	112.8
195	A	98.8	Very high	97.2	Very high	16 Å²	16	63.9 Å²	63.9	13%	0.132	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-85.9	152.3	164.4	0	0	0	0	0	109.9	A140 I164 L193 I197	A140-A195 HydrophobicContact CB-CB 4.1Å; A140-A195 CarbonylContact O-C 3.59Å; A140-A195 WeakPolarHBondContact O-CA 3.38Å; A140-A195 WeakPolarHBondContact O-CB 3.42Å; I164-A195 HydrophobicContact CD1-CB 3.45Å; I164-A195 VanDerWaalsContact CD1-CB 3.45Å; L193-A195 HydrophobicContact CD2-CB 4.32Å; A195-I197 HydrophobicContact CB-CD1 4.17Å; A195-I197 HydrophobicContact CB-CG1 3.96Å; A195-I197 PolarHBondContact O-N 3.43Å
196	Q	98.8	Very high	97.3	Very high	97 Å²	97	63.5 Å²	63.5	45%	0.453	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.4	166	178.9	179.3	-23.1	0	0	108.4	A140 V141 C142 E198	A140-Q196 PolarHBondContact O-N 3.09Å; V141-Q196 CarbonylContact C-O 3.58Å; V141-Q196 WeakPolarHBondContact CA-O 3.37Å; V141-Q196 HydrophobicContact CB-CB 4.48Å; V141-Q196 HydrophobicContact CG1-CB 4.21Å; V141-Q196 HydrophobicContact CG1-CG 4.26Å; V141-Q196 HydrophobicContact CG2-CB 4.19Å; C142-Q196 PolarHBondContact N-O 3.08Å; Q196-E198 PolarHBondContact NE2-OE1 3.15Å
197	I	98.8	Very high	97.3	Very high	41 Å²	41	58 Å²	58	21%	0.21	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.8	-178	-58.2	171.8	0	0	0	109.1	C142 A157 I160 S161 A195 I199	C142-I197 HydrophobicContact CB-CG1 4.37Å; C142-I197 WeakPolarHBondContact O-CA 3.37Å; A157-I197 HydrophobicContact CB-CB 4.41Å; A157-I197 HydrophobicContact CB-CD1 4.1Å; A157-I197 HydrophobicContact CB-CG2 3.98Å; A157-I197 VanDerWaalsContact O-CD1 3.23Å; A157-I197 WeakPolarHBondContact O-CD1 3.34Å; I160-I197 HydrophobicContact CB-CD1 4Å; I160-I197 HydrophobicContact CD1-CG2 4.1Å; I160-I197 HydrophobicContact CG2-CD1 3.73Å; I160-I197 HydrophobicContact CG2-CG1 4.09Å; S161-I197 VanDerWaalsContact OG-CD1 3.22Å; S161-I197 WeakPolarHBondContact OG-CD1 3.09Å; A195-I197 HydrophobicContact CB-CD1 4.17Å; A195-I197 HydrophobicContact CB-CG1 3.96Å; A195-I197 PolarHBondContact O-N 3.43Å; I197-I199 HydrophobicContact CG2-CD1 4.13Å; I197-I199 HydrophobicContact CG2-CG1 4.02Å
198	E	98.5	Very high	97.4	Very high	55 Å²	55	52.4 Å²	52.4	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.6	176.2	-64.3	176.4	-177.5	0	0	109.1	C142 M143 G144 Q196 Y200 K272	C142-E198 PolarHBondContact O-N 3.3Å; M143-E198 CarbonylContact C-O 3.55Å; M143-E198 WeakPolarHBondContact CA-O 3.22Å; G144-E198 PolarHBondContact N-O 2.83Å; Q196-E198 PolarHBondContact NE2-OE1 3.15Å; E198-Y200 HydrophobicContact CB-CD2 4.5Å; E198-Y200 HydrophobicContact CB-CE2 3.64Å; E198-Y200 PolarHBondContact OE2-OH 2.8Å; E198-K272 IonicContact OE2-NZ 2.78Å; E198-K272 PolarHBondContact OE2-NZ 3.27Å
199	I	98.4	Very high	97.5	Very high	64 Å²	64	51.6 Å²	51.6	33%	0.328	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.5	179.1	-59.5	169.5	0	0	0	108.8	G144 K146 D156 I160 I197 Y207	G144-I199 WeakPolarHBondContact O-CA 3.49Å; K146-I199 HydrophobicContact CB-CG2 4.21Å; D156-I199 HydrophobicContact CB-CD1 3.43Å; D156-I199 VanDerWaalsContact CB-CD1 3.43Å; I160-I199 HydrophobicContact CD1-CD1 4.37Å; I197-I199 HydrophobicContact CG2-CD1 4.13Å; I197-I199 HydrophobicContact CG2-CG1 4.02Å; I199-Y207 WeakPolarHBondContact CD1-OH 3.4Å; I199-Y207 HydrophobicContact CG2-CE2 4.44Å; I199-Y207 VanDerWaalsContact CG2-OH 3.26Å; I199-Y207 WeakPolarHBondContact CG2-OH 3.34Å
200	Y	98	Very high	97.5	Very high	91 Å²	91	50 Å²	50	36%	0.357	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.7	178.6	-65.5	-80.1	0	0	0	110.8	M143 G144 K145 K146 E198 K272	M143-Y200 HydrophobicContact CG-CD2 3.96Å; M143-Y200 HydrophobicContact CG-CE2 3.91Å; M143-Y200 HydrophobicContact SD-CE2 4.37Å; G144-Y200 PolarHBondContact O-N 3.26Å; K145-Y200 CarbonylContact C-O 3.59Å; K145-Y200 WeakPolarHBondContact CA-O 3.45Å; K146-Y200 PolarHBondContact N-O 2.77Å; E198-Y200 HydrophobicContact CB-CD2 4.5Å; E198-Y200 HydrophobicContact CB-CE2 3.64Å; E198-Y200 PolarHBondContact OE2-OH 2.8Å; Y200-K272 PolarHBondContact OH-NZ 3.11Å
201	S	97.4	Very high	97.6	Very high	121 Å²	121	46.5 Å²	46.5	85%	0.846	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.8	168	-54	0	0	0	0	110.3
202	T	95.3	Very high	97.6	Very high	60 Å²	60	45.4 Å²	45.4	37%	0.368	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	177.3	174	-166.6	0	0	0	0	110.3	K145 K146 G147 Q148	K145-T202 HydrophobicContact CB-CG2 4.06Å; K146-T202 PolarHBondContact O-N 2.92Å; G147-T202 CarbonylContact C-O 3.57Å; G147-T202 WeakPolarHBondContact CA-O 3.44Å; Q148-T202 PolarHBondContact N-O 2.87Å
203	S	93.3	Very high	97.6	Very high	94 Å²	94	45.5 Å²	45.5	66%	0.657	27%	0.267	S	S	*	.	S	Bend	trans	-82.1	167.1	176.3	55.2	0	0	0	0	111.8
204	G	94.1	Very high	97.6	Very high	30 Å²	30	44.4 Å²	44.4	31%	0.309	26%	0.261	S	S	.	.	S	Bend	trans	87.3	-170.3	172.8	0	0	0	0	0	114.8	G147 Q148 F149	G147-G204 CarbonylContact C-O 3.51Å; G147-G204 VanDerWaalsContact C-O 3.24Å; G147-G204 VanDerWaalsContact CA-O 3.27Å; G147-G204 WeakPolarHBondContact CA-O 3.34Å; Q148-G204 PolarHBondContact N-O 2.81Å; Q148-G204 VanDerWaalsContact N-O 3.17Å; F149-G204 PolarHBondContact N-O 3.49Å
205	S	95	Very high	97.6	Very high	57 Å²	57	40.2 Å²	40.2	40%	0.399	24%	0.235	S	C	.	.	S	Bend	trans	-119.3	31.6	-170.7	53.4	0	0	0	0	112.5	L69	L69-S205 WeakPolarHBondContact CD2-O 3.32Å
206	E	96.4	Very high	97.4	Very high	61 Å²	61	40.7 Å²	40.7	29%	0.285	24%	0.241	S	C	.	.			trans	-121.7	149.4	175.7	-62.1	-173	164.9	0	0	111.2	Y45 G147 V150 N208 I357 T358	Y45-E206 PolarHBondContact OH-OE2 3.41Å; G147-E206 WeakPolarHBondContact CA-O 3.47Å; G147-E206 PolarHBondContact N-O 2.75Å; V150-E206 VanDerWaalsContact CG2-C 3.48Å; V150-E206 WeakPolarHBondContact CG2-O 3.45Å; E206-N208 PolarHBondContact OE2-ND2 3.3Å; E206-N208 VanDerWaalsContact OE2-ND2 3.08Å; E206-I357 WeakPolarHBondContact CA-O 3.18Å; E206-T358 HydrophobicContact CG-CG2 4.07Å
207	Y	98	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.9	168.4	-152.9	161.5	0	0	0	109.2	L76 K145 K146 V150 T152 D156 I199 F209 R356 I357	L76-Y207 HydrophobicContact CD2-CD1 4.19Å; L76-Y207 HydrophobicContact CD2-CE1 3.99Å; K145-Y207 WeakPolarHBondContact O-CD2 3.37Å; K146-Y207 HydrophobicContact CB-CD1 4.4Å; K146-Y207 HydrophobicContact CB-CD2 3.95Å; K146-Y207 HydrophobicContact CB-CE1 4.15Å; K146-Y207 HydrophobicContact CB-CE2 3.66Å; K146-Y207 HydrophobicContact CB-CG 4.32Å; K146-Y207 HydrophobicContact CD-CD1 4.45Å; K146-Y207 HydrophobicContact CD-CE1 3.92Å; K146-Y207 HydrophobicContact CG-CD1 4.02Å; K146-Y207 HydrophobicContact CG-CD2 4.41Å; K146-Y207 HydrophobicContact CG-CE1 3.9Å; K146-Y207 HydrophobicContact CG-CE2 4.3Å; K146-Y207 HydrophobicContact CG-CG 4.28Å; V150-Y207 HydrophobicContact CG1-CD1 3.97Å; V150-Y207 HydrophobicContact CG1-CG 4.39Å; T152-Y207 HydrophobicContact CG2-CD1 4.28Å; T152-Y207 HydrophobicContact CG2-CE1 4.11Å; D156-Y207 PolarHBondContact OD2-OH 2.95Å; I199-Y207 WeakPolarHBondContact CD1-OH 3.4Å; I199-Y207 HydrophobicContact CG2-CE2 4.44Å; I199-Y207 VanDerWaalsContact CG2-OH 3.26Å; I199-Y207 WeakPolarHBondContact CG2-OH 3.34Å; Y207-F209 HydrophobicContact CD1-CE2 4.23Å; Y207-F209 AromaticContact CD1-CZ 3.64Å; Y207-F209 HydrophobicContact CD1-CZ 3.64Å; Y207-F209 HydrophobicContact CD2-CD2 4.35Å; Y207-F209 AromaticContact CD2-CE1 3.76Å; Y207-F209 HydrophobicContact CD2-CE1 3.76Å; Y207-F209 AromaticContact CD2-CE2 3.56Å; Y207-F209 HydrophobicContact CD2-CE2 3.56Å; Y207-F209 AromaticContact CD2-CZ 3.2Å; Y207-F209 HydrophobicContact CD2-CZ 3.2Å; Y207-F209 HydrophobicContact CE1-CE1 4.29Å; Y207-F209 AromaticContact CE1-CZ 3.74Å; Y207-F209 HydrophobicContact CE1-CZ 3.74Å; Y207-F209 HydrophobicContact CE2-CD1 4.29Å; Y207-F209 AromaticContact CE2-CE1 3.42Å; Y207-F209 HydrophobicContact CE2-CE1 3.42Å; Y207-F209 VanDerWaalsContact CE2-CE1 3.42Å; Y207-F209 HydrophobicContact CE2-CE2 4.13Å; Y207-F209 AromaticContact CE2-CZ 3.32Å; Y207-F209 HydrophobicContact CE2-CZ 3.32Å; Y207-F209 HydrophobicContact CG-CE1 4.33Å; Y207-F209 AromaticContact CG-CE2 3.62Å; Y207-F209 HydrophobicContact CG-CE2 3.62Å; Y207-F209 AromaticContact CG-CZ 3.38Å; Y207-F209 HydrophobicContact CG-CZ 3.38Å; Y207-F209 AromaticContact CZ-CE1 3.7Å; Y207-F209 AromaticContact CZ-CZ 3.58Å; Y207-F209 WeakPolarHBondContact O-CD2 3.43Å; Y207-F209 VanDerWaalsContact O-CE2 3.29Å; Y207-F209 WeakPolarHBondContact O-CE2 3.23Å; Y207-R356 CarbonylContact O-C 3.53Å; Y207-R356 VanDerWaalsContact O-CA 3.31Å; Y207-R356 WeakPolarHBondContact O-CA 3.28Å; Y207-I357 PolarHBondContact N-O 2.78Å; Y207-I357 PolarHBondContact O-N 2.97Å
208	N	98.2	Very high	97.2	Very high	19 Å²	19	34.7 Å²	34.7	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.7	-175.2	-70.6	-66.9	0	0	0	111.4	Y45 G144 K145 E206 R356	Y45-N208 HydrophobicContact CE1-CB 4.3Å; Y45-N208 WeakPolarHBondContact CE1-OD1 3.38Å; G144-N208 CarbonylContact C-O 3.53Å; G144-N208 WeakPolarHBondContact CA-O 3.39Å; K145-N208 PolarHBondContact N-O 3.09Å; K145-N208 PolarHBondContact O-N 2.87Å; E206-N208 PolarHBondContact OE2-ND2 3.3Å; E206-N208 VanDerWaalsContact OE2-ND2 3.08Å; N208-R356 WeakPolarHBondContact OD1-CB 3.12Å
209	F	98.7	Very high	97.2	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.3	-173	-58.3	-93.3	0	0	0	111.9	L76 L79 M143 I160 Y207 F211 L354 G355 I357	L76-F209 HydrophobicContact CD2-CE1 4.13Å; L76-F209 HydrophobicContact CD2-CE2 4.35Å; L76-F209 HydrophobicContact CD2-CZ 3.48Å; L76-F209 VanDerWaalsContact CD2-CZ 3.48Å; L79-F209 HydrophobicContact CD2-CD2 3.43Å; L79-F209 VanDerWaalsContact CD2-CD2 3.43Å; L79-F209 HydrophobicContact CD2-CE2 3.63Å; L79-F209 HydrophobicContact CD2-CG 4.02Å; L79-F209 HydrophobicContact CD2-CZ 4.35Å; M143-F209 CarbonylContact O-C 3.54Å; M143-F209 WeakPolarHBondContact O-CA 3.37Å; I160-F209 HydrophobicContact CD1-CE1 4.21Å; Y207-F209 HydrophobicContact CD1-CE2 4.23Å; Y207-F209 AromaticContact CD1-CZ 3.64Å; Y207-F209 HydrophobicContact CD1-CZ 3.64Å; Y207-F209 HydrophobicContact CD2-CD2 4.35Å; Y207-F209 AromaticContact CD2-CE1 3.76Å; Y207-F209 HydrophobicContact CD2-CE1 3.76Å; Y207-F209 AromaticContact CD2-CE2 3.56Å; Y207-F209 HydrophobicContact CD2-CE2 3.56Å; Y207-F209 AromaticContact CD2-CZ 3.2Å; Y207-F209 HydrophobicContact CD2-CZ 3.2Å; Y207-F209 HydrophobicContact CE1-CE1 4.29Å; Y207-F209 AromaticContact CE1-CZ 3.74Å; Y207-F209 HydrophobicContact CE1-CZ 3.74Å; Y207-F209 HydrophobicContact CE2-CD1 4.29Å; Y207-F209 AromaticContact CE2-CE1 3.42Å; Y207-F209 HydrophobicContact CE2-CE1 3.42Å; Y207-F209 VanDerWaalsContact CE2-CE1 3.42Å; Y207-F209 HydrophobicContact CE2-CE2 4.13Å; Y207-F209 AromaticContact CE2-CZ 3.32Å; Y207-F209 HydrophobicContact CE2-CZ 3.32Å; Y207-F209 HydrophobicContact CG-CE1 4.33Å; Y207-F209 AromaticContact CG-CE2 3.62Å; Y207-F209 HydrophobicContact CG-CE2 3.62Å; Y207-F209 AromaticContact CG-CZ 3.38Å; Y207-F209 HydrophobicContact CG-CZ 3.38Å; Y207-F209 AromaticContact CZ-CE1 3.7Å; Y207-F209 AromaticContact CZ-CZ 3.58Å; Y207-F209 WeakPolarHBondContact O-CD2 3.43Å; Y207-F209 VanDerWaalsContact O-CE2 3.29Å; Y207-F209 WeakPolarHBondContact O-CE2 3.23Å; F209-F211 HydrophobicContact CB-CD2 3.96Å; F209-F211 HydrophobicContact CB-CE2 3.44Å; F209-F211 VanDerWaalsContact CB-CE2 3.44Å; F209-F211 HydrophobicContact CB-CZ 4.01Å; F209-F211 HydrophobicContact CD1-CE2 4.3Å; F209-F211 HydrophobicContact CD1-CZ 4.01Å; F209-F211 AromaticContact CG-CE2 3.91Å; F209-F211 HydrophobicContact CG-CE2 3.91Å; F209-F211 HydrophobicContact CG-CZ 4.08Å; F209-L354 WeakPolarHBondContact O-CA 3.05Å; F209-G355 PolarHBondContact N-O 3.38Å; F209-G355 PolarHBondContact O-N 3.29Å; F209-I357 HydrophobicContact CE2-CD1 3.9Å; F209-I357 HydrophobicContact CE2-CG1 4.08Å; F209-I357 HydrophobicContact CZ-CD1 4.31Å
210	L	98.8	Very high	97.1	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.6	158.1	173.1	68.6	0	0	0	107.6	M143 V212 L276 C279 Y281 Q352 L354	M143-L210 HydrophobicContact CB-CB 4.41Å; M143-L210 HydrophobicContact CE-CB 4.05Å; M143-L210 HydrophobicContact CE-CD2 4.27Å; M143-L210 PolarHBondContact N-O 2.8Å; M143-L210 PolarHBondContact O-N 2.93Å; L210-V212 HydrophobicContact CD1-CG2 4.26Å; L210-V212 HydrophobicContact CD2-CG2 4.07Å; L210-V212 HydrophobicContact CG-CG2 3.84Å; L210-L276 HydrophobicContact CD2-CD2 3.79Å; L210-C279 HydrophobicContact CD2-CB 4.46Å; L210-Y281 HydrophobicContact CB-CD2 4.16Å; L210-Y281 HydrophobicContact CB-CE2 4.12Å; L210-Y281 HydrophobicContact CD1-CD2 4.32Å; L210-Y281 HydrophobicContact CD2-CD2 3.79Å; L210-Y281 HydrophobicContact CD2-CE2 4.45Å; L210-Y281 HydrophobicContact CD2-CG 4.21Å; L210-Y281 HydrophobicContact CG-CD2 4.31Å; L210-Q352 HydrophobicContact CD1-CB 4.06Å; L210-L354 HydrophobicContact CB-CD2 4.31Å; L210-L354 HydrophobicContact CD1-CD2 3.89Å
211	F	98.9	Very high	97.1	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.4	170.8	-66.1	-81.8	0	0	0	109.5	L79 A83 M84 V141 C142 I160 F209 Q352 I353	L79-F211 HydrophobicContact CD2-CE2 3.91Å; L79-F211 HydrophobicContact CD2-CZ 4.16Å; L79-F211 HydrophobicContact CG-CE2 3.8Å; L79-F211 HydrophobicContact CG-CZ 4.08Å; A83-F211 HydrophobicContact CB-CB 3.93Å; A83-F211 HydrophobicContact CB-CD1 4.16Å; A83-F211 HydrophobicContact CB-CD2 3.56Å; A83-F211 HydrophobicContact CB-CE2 4.06Å; A83-F211 HydrophobicContact CB-CG 3.62Å; M84-F211 HydrophobicContact CE-CB 3.62Å; M84-F211 HydrophobicContact CE-CD1 4.11Å; M84-F211 HydrophobicContact CE-CG 4.22Å; V141-F211 CarbonylContact O-C 3.58Å; V141-F211 WeakPolarHBondContact O-CA 3.3Å; C142-F211 HydrophobicContact CB-CD1 3.92Å; C142-F211 HydrophobicContact CB-CE1 3.91Å; C142-F211 VanDerWaalsContact SG-CE1 3.5Å; I160-F211 HydrophobicContact CG2-CE1 4.37Å; F209-F211 HydrophobicContact CB-CD2 3.96Å; F209-F211 HydrophobicContact CB-CE2 3.44Å; F209-F211 VanDerWaalsContact CB-CE2 3.44Å; F209-F211 HydrophobicContact CB-CZ 4.01Å; F209-F211 HydrophobicContact CD1-CE2 4.3Å; F209-F211 HydrophobicContact CD1-CZ 4.01Å; F209-F211 AromaticContact CG-CE2 3.91Å; F209-F211 HydrophobicContact CG-CE2 3.91Å; F209-F211 HydrophobicContact CG-CZ 4.08Å; F211-Q352 CarbonylContact O-C 3.58Å; F211-Q352 WeakPolarHBondContact O-CA 3.46Å; F211-Q352 WeakPolarHBondContact O-CB 3.35Å; F211-I353 HydrophobicContact CB-CG2 3.77Å; F211-I353 HydrophobicContact CD2-CG2 4.4Å; F211-I353 PolarHBondContact N-O 3.47Å; F211-I353 PolarHBondContact O-N 3.11Å
212	V	98.9	Very high	97.2	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.4	178.9	-170.2	0	0	0	0	109.4	V141 L210 K214 R351 Q352	V141-V212 HydrophobicContact CB-CB 4.23Å; V141-V212 PolarHBondContact N-O 3Å; V141-V212 PolarHBondContact O-N 2.91Å; L210-V212 HydrophobicContact CD1-CG2 4.26Å; L210-V212 HydrophobicContact CD2-CG2 4.07Å; L210-V212 HydrophobicContact CG-CG2 3.84Å; V212-K214 HydrophobicContact CG1-CB 4.17Å; V212-K214 HydrophobicContact CG1-CD 4.31Å; V212-R351 WeakPolarHBondContact CA-O 3.3Å; V212-Q352 HydrophobicContact CG2-CB 4.09Å
213	A	98.8	Very high	97.3	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	81.1	171	0	0	0	0	0	109.4	V87 G215 R351	V87-A213 HydrophobicContact CG2-CB 3.7Å; A213-G215 PolarHBondContact O-N 2.68Å; A213-R351 HydrophobicContact CB-CB 4.02Å; A213-R351 PolarHBondContact N-O 2.85Å; A213-R351 PolarHBondContact O-NE 3.39Å; A213-R351 PolarHBondContact O-NH2 3.09Å
214	K	98.6	Very high	97.6	Very high	12 Å²	12	27 Å²	27	5%	0.052	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.4	-167.4	-165.1	69.4	-173.9	172.4	0	111.5	G138 T139 V212 S218 A219 V345	G138-K214 CarbonylContact C-O 3.53Å; G138-K214 WeakPolarHBondContact CA-O 3.41Å; T139-K214 PolarHBondContact N-O 3.44Å; T139-K214 PolarHBondContact O-N 2.79Å; V212-K214 HydrophobicContact CG1-CB 4.17Å; V212-K214 HydrophobicContact CG1-CD 4.31Å; K214-S218 WeakPolarHBondContact CE-OG 3.45Å; K214-S218 PolarHBondContact NZ-OG 2.88Å; K214-A219 HydrophobicContact CG-CB 4.28Å; K214-V345 PolarHBondContact NZ-O 3.31Å
215	G	97.5	Very high	97.8	Very high	6 Å²	6	27.4 Å²	27.4	6%	0.062	16%	0.158	C	C	.	.			trans	-67.1	137	175.5	0	0	0	0	0	112	D136 A213 G217 S218 A219	D136-G215 VanDerWaalsContact OD2-CA 3.26Å; D136-G215 WeakPolarHBondContact OD2-CA 3.26Å; A213-G215 PolarHBondContact O-N 2.68Å; G215-G217 VanDerWaalsContact C-N 3.27Å; G215-G217 PolarHBondContact O-N 3.17Å; G215-S218 PolarHBondContact O-N 3.42Å; G215-S218 PolarHBondContact O-OG 3.39Å; G215-A219 PolarHBondContact O-N 2.78Å
216	G	96	Very high	98	Very high	26 Å²	26	30.8 Å²	30.8	27%	0.268	17%	0.168	S	C	.	.	H	α-helix	trans	-58.2	-37.1	-174.5	0	0	0	0	0	112.8	D136 S218 A219 N220	D136-G216 PolarHBondContact OD2-N 2.92Å; G216-S218 VanDerWaalsContact C-N 3.3Å; G216-S218 PolarHBondContact O-N 3.33Å; G216-A219 PolarHBondContact O-N 3.27Å; G216-N220 WeakPolarHBondContact O-CB 3.33Å; G216-N220 PolarHBondContact O-N 3.16Å; G216-N220 PolarHBondContact O-OD1 3.12Å
217	G	95.1	Very high	98.1	Very high	9 Å²	9	30.6 Å²	30.6	9%	0.093	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-37.6	176.5	0	0	0	0	0	113.7	G215 K221	G215-G217 VanDerWaalsContact C-N 3.27Å; G215-G217 PolarHBondContact O-N 3.17Å; G217-K221 WeakPolarHBondContact O-CG 3.49Å
218	S	97.6	Very high	98.1	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-83.2	-28.7	176.5	65.8	0	0	0	0	112.8	K214 G215 G216 K221	K214-S218 WeakPolarHBondContact CE-OG 3.45Å; K214-S218 PolarHBondContact NZ-OG 2.88Å; G215-S218 PolarHBondContact O-N 3.42Å; G215-S218 PolarHBondContact O-OG 3.39Å; G216-S218 VanDerWaalsContact C-N 3.3Å; G216-S218 PolarHBondContact O-N 3.33Å; S218-K221 PolarHBondContact O-N 2.95Å
219	A	98.1	Very high	98.1	Very high	39 Å²	39	39.7 Å²	39.7	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-44.9	170.7	0	0	0	0	0	110.9	K214 G215 G216 K221 T222	K214-A219 HydrophobicContact CG-CB 4.28Å; G215-A219 PolarHBondContact O-N 2.78Å; G216-A219 PolarHBondContact O-N 3.27Å; A219-K221 PolarHBondContact O-N 2.75Å; A219-K221 VanDerWaalsContact O-N 3.08Å; A219-T222 WeakPolarHBondContact O-CB 3.46Å; A219-T222 PolarHBondContact O-N 2.7Å; A219-T222 PolarHBondContact O-OG1 3.22Å; A219-T222 VanDerWaalsContact O-OG1 3.12Å
220	N	97.4	Very high	98.1	Very high	95 Å²	95	42.7 Å²	42.7	51%	0.508	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.3	177.9	-64.6	2.2	0	0	0	114	G216	G216-N220 WeakPolarHBondContact O-CB 3.33Å; G216-N220 PolarHBondContact O-N 3.16Å; G216-N220 PolarHBondContact O-OD1 3.12Å
221	K	97.8	Very high	98.1	Very high	36 Å²	36	42.9 Å²	42.9	16%	0.157	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	29.1	173.6	-63.8	-55.4	-172	168	0	112.2	G217 S218 A219 F223 T247 L248 A252 G344 V345	G217-K221 WeakPolarHBondContact O-CG 3.49Å; S218-K221 PolarHBondContact O-N 2.95Å; A219-K221 PolarHBondContact O-N 2.75Å; A219-K221 VanDerWaalsContact O-N 3.08Å; K221-F223 HydrophobicContact CD-CE2 4.03Å; K221-F223 HydrophobicContact CD-CZ 3.66Å; K221-T247 PolarHBondContact NZ-O 3.39Å; K221-L248 HydrophobicContact CB-CD2 4.06Å; K221-L248 WeakPolarHBondContact CE-O 3.28Å; K221-L248 PolarHBondContact NZ-O 3.19Å; K221-A252 HydrophobicContact CB-CB 4.21Å; K221-A252 HydrophobicContact CG-CB 3.7Å; K221-G344 WeakPolarHBondContact O-CA 3.48Å; K221-V345 HydrophobicContact CB-CG2 4Å
222	T	98.4	Very high	98.1	Very high	37 Å²	37	44.5 Å²	44.5	23%	0.227	25%	0.248	C	C	.	.			trans	-104.5	109.8	167.4	-52.5	0	0	0	0	107.8	A219 L271 V274 I343	A219-T222 WeakPolarHBondContact O-CB 3.46Å; A219-T222 PolarHBondContact O-N 2.7Å; A219-T222 PolarHBondContact O-OG1 3.22Å; A219-T222 VanDerWaalsContact O-OG1 3.12Å; T222-L271 HydrophobicContact CG2-CD2 4.04Å; T222-V274 HydrophobicContact CG2-CG1 4.34Å; T222-I343 CarbonylContact C-O 3.55Å; T222-I343 WeakPolarHBondContact CA-O 3.42Å
223	F	98.4	Very high	98	Very high	54 Å²	54	47.3 Å²	47.3	24%	0.237	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144	-174.3	-59.4	-52.3	0	0	0	111.7	K221 Y225 L248 G342 I343	K221-F223 HydrophobicContact CD-CE2 4.03Å; K221-F223 HydrophobicContact CD-CZ 3.66Å; F223-Y225 HydrophobicContact CB-CD2 4.46Å; F223-Y225 HydrophobicContact CB-CE1 4.36Å; F223-Y225 HydrophobicContact CB-CE2 3.58Å; F223-Y225 WeakPolarHBondContact CB-OH 3.36Å; F223-Y225 VanDerWaalsContact CD2-OH 3.28Å; F223-Y225 WeakPolarHBondContact CD2-OH 3.36Å; F223-L248 HydrophobicContact CD2-CD2 4.03Å; F223-L248 HydrophobicContact CE2-CD2 3.83Å; F223-G342 WeakPolarHBondContact O-CA 3.42Å; F223-I343 PolarHBondContact N-O 2.74Å; F223-I343 PolarHBondContact O-N 3.09Å
224	L	98.7	Very high	98	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.335	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.2	171.3	179.8	67.5	0	0	0	109.3	A267 L271 P340	L224-A267 HydrophobicContact CD1-CB 4.44Å; L224-A267 HydrophobicContact CD2-CB 3.55Å; L224-L271 HydrophobicContact CB-CD1 4.24Å; L224-L271 HydrophobicContact CB-CD2 4.01Å; L224-L271 HydrophobicContact CB-CG 4.4Å; L224-L271 HydrophobicContact CD1-CD2 4.27Å; L224-L271 HydrophobicContact CD1-CG 4.39Å; L224-P340 HydrophobicContact CD1-CB 4.17Å
225	Y	98.6	Very high	97.9	Very high	37 Å²	37	55.6 Å²	55.6	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.6	174.2	-51.2	-82.3	0	0	0	109.3	F223 Q227 F240 K244 V341 I343	F223-Y225 HydrophobicContact CB-CD2 4.46Å; F223-Y225 HydrophobicContact CB-CE1 4.36Å; F223-Y225 HydrophobicContact CB-CE2 3.58Å; F223-Y225 WeakPolarHBondContact CB-OH 3.36Å; F223-Y225 VanDerWaalsContact CD2-OH 3.28Å; F223-Y225 WeakPolarHBondContact CD2-OH 3.36Å; Y225-Q227 PolarHBondContact O-N 3.41Å; Y225-F240 HydrophobicContact CD1-CZ 4.33Å; Y225-F240 AromaticContact CD2-CZ 3.78Å; Y225-F240 HydrophobicContact CD2-CZ 3.78Å; Y225-F240 HydrophobicContact CE2-CZ 4.42Å; Y225-F240 HydrophobicContact CG-CE2 4.31Å; Y225-F240 AromaticContact CG-CZ 3.71Å; Y225-F240 HydrophobicContact CG-CZ 3.71Å; Y225-K244 HydrophobicContact CE1-CD 3.97Å; Y225-K244 HydrophobicContact CE1-CG 4.16Å; Y225-K244 HydrophobicContact CE2-CB 4.35Å; Y225-K244 HydrophobicContact CE2-CG 4.29Å; Y225-V341 PolarHBondContact N-O 2.93Å; Y225-V341 PolarHBondContact O-N 3.1Å; Y225-I343 HydrophobicContact CD2-CD1 4.44Å; Y225-I343 HydrophobicContact CD2-CG1 4.46Å; Y225-I343 HydrophobicContact CE2-CB 4.2Å; Y225-I343 HydrophobicContact CE2-CD1 3.89Å; Y225-I343 HydrophobicContact CE2-CG1 4.03Å
226	Q	98.7	Very high	97.9	Very high	128 Å²	128	57.6 Å²	57.6	60%	0.598	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	107.9	173.6	-65.7	-67.6	4.2	0	0	109.1
227	Q	98.6	Very high	98.1	Very high	58 Å²	58	57.4 Å²	57.4	27%	0.271	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	179.4	-176	-63.1	-69.1	-31.2	0	0	110.1	Y225 L231 F240 C339 V341	Y225-Q227 PolarHBondContact O-N 3.41Å; Q227-L231 HydrophobicContact CB-CB 4.32Å; Q227-L231 HydrophobicContact CB-CD2 3.64Å; Q227-L231 HydrophobicContact CG-CD2 3.66Å; Q227-F240 HydrophobicContact CG-CE2 4.26Å; Q227-F240 HydrophobicContact CG-CZ 4.28Å; Q227-C339 CarbonylContact C-O 3.59Å; Q227-C339 WeakPolarHBondContact CA-O 3.21Å; Q227-C339 HydrophobicContact CB-CB 4.43Å; Q227-C339 WeakPolarHBondContact CB-O 3.37Å; Q227-C339 PolarHBondContact N-O 3.32Å; Q227-C339 WeakPolarHBondContact O-CB 3.46Å; Q227-C339 PolarHBondContact O-N 3.4Å; Q227-V341 HydrophobicContact CB-CG2 4.18Å; Q227-V341 HydrophobicContact CG-CG2 4.07Å
228	T	98.6	Very high	98.2	Very high	84 Å²	84	59.2 Å²	59.2	52%	0.515	33%	0.33	S	S	.	.			trans	-124	178.9	-180	74.9	0	0	0	0	111.3	A230 L231	T228-A230 PolarHBondContact O-N 2.9Å; T228-A230 WeakPolarHBondContact OG1-CB 3.42Å; T228-A230 PolarHBondContact OG1-N 3.29Å; T228-L231 WeakPolarHBondContact O-CB 3.4Å; T228-L231 PolarHBondContact O-N 2.94Å
229	K	98.5	Very high	98.2	Very high	126 Å²	126	62.6 Å²	62.6	55%	0.548	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-58.1	-24.8	171.9	175.3	57.7	-175.2	165.3	0	112.5	L231 L232	K229-L231 PolarHBondContact O-N 3.43Å; K229-L232 HydrophobicContact CD-CB 4.15Å; K229-L232 HydrophobicContact CD-CD1 4.01Å; K229-L232 HydrophobicContact CD-CG 4.5Å; K229-L232 PolarHBondContact O-N 2.93Å
230	A	98.4	Very high	98.2	Very high	69 Å²	69	61.5 Å²	61.5	57%	0.57	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-60.3	-30.9	178.5	0	0	0	0	0	112.7	T228 L232 N233	T228-A230 PolarHBondContact O-N 2.9Å; T228-A230 WeakPolarHBondContact OG1-CB 3.42Å; T228-A230 PolarHBondContact OG1-N 3.29Å; A230-L232 VanDerWaalsContact C-N 3.26Å; A230-L232 PolarHBondContact O-N 2.65Å; A230-N233 PolarHBondContact O-ND2 3.31Å
231	L	98.6	Very high	98.2	Very high	9 Å²	9	57 Å²	57	5%	0.047	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65	-29.5	175.3	-178.8	65.5	0	0	0	112.8	Q227 T228 K229 N233 S236 L237 F240 V341	Q227-L231 HydrophobicContact CB-CB 4.32Å; Q227-L231 HydrophobicContact CB-CD2 3.64Å; Q227-L231 HydrophobicContact CG-CD2 3.66Å; T228-L231 WeakPolarHBondContact O-CB 3.4Å; T228-L231 PolarHBondContact O-N 2.94Å; K229-L231 PolarHBondContact O-N 3.43Å; L231-N233 PolarHBondContact O-N 3.34Å; L231-S236 WeakPolarHBondContact CD1-O 3.41Å; L231-L237 HydrophobicContact CD1-CD1 4.46Å; L231-L237 HydrophobicContact CD2-CD1 4.3Å; L231-L237 HydrophobicContact CG-CD1 4.2Å; L231-L237 PolarHBondContact O-N 2.98Å; L231-F240 HydrophobicContact CD1-CB 3.52Å; L231-F240 HydrophobicContact CD1-CD1 4.16Å; L231-F240 HydrophobicContact CD1-CD2 4.36Å; L231-F240 HydrophobicContact CD1-CG 3.76Å; L231-F240 HydrophobicContact CD2-CD1 4.21Å; L231-F240 HydrophobicContact CD2-CE1 4.47Å; L231-F240 HydrophobicContact CD2-CG 4.44Å; L231-V341 HydrophobicContact CD2-CG2 3.79Å
232	L	98.4	Very high	98	Very high	34 Å²	34	57.8 Å²	57.8	18%	0.178	32%	0.324	C	S	.	.			trans	-82.7	59.4	-169.3	-57.9	-178	0	0	0	112.5	K229 A230 I262	K229-L232 HydrophobicContact CD-CB 4.15Å; K229-L232 HydrophobicContact CD-CD1 4.01Å; K229-L232 HydrophobicContact CD-CG 4.5Å; K229-L232 PolarHBondContact O-N 2.93Å; A230-L232 VanDerWaalsContact C-N 3.26Å; A230-L232 PolarHBondContact O-N 2.65Å; L232-I262 HydrophobicContact CD2-CG2 3.57Å
233	N	98.3	Very high	97.9	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.342	33%	0.331	S	S	.	.	S	Bend	trans	-140	155.8	163.2	73.4	80.5	0	0	0	108.4	A230 L231 S235 S236 L237	A230-N233 PolarHBondContact O-ND2 3.31Å; L231-N233 PolarHBondContact O-N 3.34Å; N233-S235 PolarHBondContact O-N 3.47Å; N233-S235 PolarHBondContact OD1-N 3.23Å; N233-S236 VanDerWaalsContact ND2-CB 3.35Å; N233-S236 WeakPolarHBondContact ND2-CB 3.46Å; N233-S236 PolarHBondContact ND2-OG 3.03Å; N233-S236 PolarHBondContact O-N 2.98Å; N233-S236 PolarHBondContact OD1-N 3.33Å; N233-S236 VanDerWaalsContact OD1-N 3.07Å; N233-S236 PolarHBondContact OD1-OG 3.37Å; N233-L237 WeakPolarHBondContact O-CB 3.4Å; N233-L237 PolarHBondContact O-N 3.39Å
234	P	97.1	Very high	97.8	Very high	95 Å²	95	59.2 Å²	59.2	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-55.5	-46.1	-173	-28.9	36.3	0	0	0	114.4	Y238	P234-Y238 HydrophobicContact CB-CD2 4.29Å; P234-Y238 HydrophobicContact CB-CE2 4.21Å; P234-Y238 WeakPolarHBondContact O-CD2 3.35Å; P234-Y238 PolarHBondContact O-N 3.46Å; P234-Y238 VanDerWaalsContact O-N 3.08Å
235	S	97.6	Very high	97.6	Very high	94 Å²	94	56.3 Å²	56.3	66%	0.657	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-53.2	-176.9	-179.8	0	0	0	0	111.6	N233 L237 S239	N233-S235 PolarHBondContact O-N 3.47Å; N233-S235 PolarHBondContact OD1-N 3.23Å; S235-L237 PolarHBondContact O-N 2.97Å; S235-S239 WeakPolarHBondContact O-CB 3.48Å; S235-S239 PolarHBondContact O-N 3.45Å; S235-S239 VanDerWaalsContact O-N 3.08Å
236	S	98.2	Very high	97.5	Very high	48 Å²	48	57.5 Å²	57.5	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-41	-178.6	-55.9	0	0	0	0	112.3	L231 N233 F240	L231-S236 WeakPolarHBondContact CD1-O 3.41Å; N233-S236 VanDerWaalsContact ND2-CB 3.35Å; N233-S236 WeakPolarHBondContact ND2-CB 3.46Å; N233-S236 PolarHBondContact ND2-OG 3.03Å; N233-S236 PolarHBondContact O-N 2.98Å; N233-S236 PolarHBondContact OD1-N 3.33Å; N233-S236 VanDerWaalsContact OD1-N 3.07Å; N233-S236 PolarHBondContact OD1-OG 3.37Å; S236-F240 WeakPolarHBondContact O-CB 3.48Å; S236-F240 PolarHBondContact O-N 3.02Å
237	L	98.4	Very high	97.3	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.12	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-50.9	-178.3	179.5	62.4	0	0	0	111.9	L231 N233 S235 F240 V241 I262	L231-L237 HydrophobicContact CD1-CD1 4.46Å; L231-L237 HydrophobicContact CD2-CD1 4.3Å; L231-L237 HydrophobicContact CG-CD1 4.2Å; L231-L237 PolarHBondContact O-N 2.98Å; N233-L237 WeakPolarHBondContact O-CB 3.4Å; N233-L237 PolarHBondContact O-N 3.39Å; S235-L237 PolarHBondContact O-N 2.97Å; L237-F240 PolarHBondContact O-N 3.01Å; L237-V241 HydrophobicContact CD1-CG2 4.17Å; L237-V241 WeakPolarHBondContact O-CB 3.29Å; L237-V241 VanDerWaalsContact O-CG2 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.44Å; L237-I262 HydrophobicContact CD1-CD1 3.71Å; L237-I262 HydrophobicContact CD1-CG1 4.42Å; L237-I262 HydrophobicContact CD2-CD1 3.75Å; L237-I262 HydrophobicContact CG-CD1 4.34Å
238	Y	98	Very high	97.1	Very high	47 Å²	47	51 Å²	51	18%	0.184	29%	0.291	C	S	.	.	H	α-helix	trans	-71.7	-32.7	-177.1	-67.1	-59.9	0	0	0	112.1	P234 N242 K304 I305 L308	P234-Y238 HydrophobicContact CB-CD2 4.29Å; P234-Y238 HydrophobicContact CB-CE2 4.21Å; P234-Y238 WeakPolarHBondContact O-CD2 3.35Å; P234-Y238 PolarHBondContact O-N 3.46Å; P234-Y238 VanDerWaalsContact O-N 3.08Å; Y238-N242 WeakPolarHBondContact O-CB 3.28Å; Y238-N242 PolarHBondContact O-N 2.96Å; Y238-K304 HydrophobicContact CD1-CB 4.4Å; Y238-K304 HydrophobicContact CE1-CB 3.77Å; Y238-K304 HydrophobicContact CE1-CD 4.12Å; Y238-K304 HydrophobicContact CE2-CD 3.92Å; Y238-K304 VanDerWaalsContact OH-CD 3.3Å; Y238-K304 WeakPolarHBondContact OH-CD 3.41Å; Y238-I305 HydrophobicContact CD1-CG1 4.23Å; Y238-I305 HydrophobicContact CE1-CG1 4.11Å; Y238-L308 HydrophobicContact CD1-CD1 4.29Å
239	S	97	Very high	96.9	Very high	74 Å²	74	47.1 Å²	47.1	52%	0.517	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-49.4	170.7	-175.5	0	0	0	0	111.4	S235 V241 N242 E243	S235-S239 WeakPolarHBondContact O-CB 3.48Å; S235-S239 PolarHBondContact O-N 3.45Å; S235-S239 VanDerWaalsContact O-N 3.08Å; S239-V241 PolarHBondContact O-N 3.44Å; S239-N242 PolarHBondContact O-N 3.25Å; S239-E243 PolarHBondContact O-N 3.38Å
240	F	98	Very high	96.9	Very high	16 Å²	16	41.3 Å²	41.3	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-49.3	175.9	168.8	-93.7	0	0	0	112	Y225 Q227 L231 S236 L237 N242 E243 K244 V341 I343	Y225-F240 HydrophobicContact CD1-CZ 4.33Å; Y225-F240 AromaticContact CD2-CZ 3.78Å; Y225-F240 HydrophobicContact CD2-CZ 3.78Å; Y225-F240 HydrophobicContact CE2-CZ 4.42Å; Y225-F240 HydrophobicContact CG-CE2 4.31Å; Y225-F240 AromaticContact CG-CZ 3.71Å; Y225-F240 HydrophobicContact CG-CZ 3.71Å; Q227-F240 HydrophobicContact CG-CE2 4.26Å; Q227-F240 HydrophobicContact CG-CZ 4.28Å; L231-F240 HydrophobicContact CD1-CB 3.52Å; L231-F240 HydrophobicContact CD1-CD1 4.16Å; L231-F240 HydrophobicContact CD1-CD2 4.36Å; L231-F240 HydrophobicContact CD1-CG 3.76Å; L231-F240 HydrophobicContact CD2-CD1 4.21Å; L231-F240 HydrophobicContact CD2-CE1 4.47Å; L231-F240 HydrophobicContact CD2-CG 4.44Å; S236-F240 WeakPolarHBondContact O-CB 3.48Å; S236-F240 PolarHBondContact O-N 3.02Å; L237-F240 PolarHBondContact O-N 3.01Å; F240-N242 PolarHBondContact O-N 3.19Å; F240-E243 PolarHBondContact O-N 3.12Å; F240-K244 HydrophobicContact CD1-CG 4.42Å; F240-K244 HydrophobicContact CD2-CG 3.98Å; F240-K244 HydrophobicContact CE1-CG 4.03Å; F240-K244 HydrophobicContact CE2-CD 4.2Å; F240-K244 HydrophobicContact CE2-CG 3.57Å; F240-K244 HydrophobicContact CG-CG 4.39Å; F240-K244 HydrophobicContact CZ-CG 3.6Å; F240-K244 WeakPolarHBondContact O-CG 3.25Å; F240-K244 PolarHBondContact O-N 3.29Å; F240-V341 HydrophobicContact CE1-CB 4.46Å; F240-V341 HydrophobicContact CE1-CG1 3.87Å; F240-V341 HydrophobicContact CZ-CG1 4.43Å; F240-I343 HydrophobicContact CE1-CD1 4.3Å
241	V	97.3	Very high	96.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-44.4	179.8	170.4	0	0	0	0	110.8	L237 S239 E243 K244 I245 V260 I305	L237-V241 HydrophobicContact CD1-CG2 4.17Å; L237-V241 WeakPolarHBondContact O-CB 3.29Å; L237-V241 VanDerWaalsContact O-CG2 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.44Å; S239-V241 PolarHBondContact O-N 3.44Å; V241-E243 VanDerWaalsContact C-N 3.32Å; V241-E243 PolarHBondContact O-N 2.82Å; V241-K244 PolarHBondContact O-N 3.17Å; V241-I245 HydrophobicContact CG1-CD1 3.36Å; V241-I245 HydrophobicContact CG1-CG1 3.98Å; V241-I245 WeakPolarHBondContact O-CB 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.46Å; V241-I245 PolarHBondContact O-N 3.45Å; V241-V260 HydrophobicContact CG2-CG1 4.48Å; V241-I305 HydrophobicContact CG1-CD1 3.94Å; V241-I305 HydrophobicContact CG1-CG1 3.9Å; V241-I305 HydrophobicContact CG1-CG2 3.85Å; V241-I305 HydrophobicContact CG2-CD1 4.37Å
242	N	95.4	Very high	96.7	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-41.8	178	-174.2	49.9	0	0	0	112.3	Y238 S239 F240 L308	Y238-N242 WeakPolarHBondContact O-CB 3.28Å; Y238-N242 PolarHBondContact O-N 2.96Å; S239-N242 PolarHBondContact O-N 3.25Å; F240-N242 PolarHBondContact O-N 3.19Å; N242-L308 HydrophobicContact CB-CD1 4.26Å; N242-L308 HydrophobicContact CB-CD2 4.46Å
243	E	95.8	Very high	96.7	Very high	80 Å²	80	36.6 Å²	36.6	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-50.3	174.6	-170.1	-159	130.9	0	0	111.4	S239 F240 V241 I245 K246 V569	S239-E243 PolarHBondContact O-N 3.38Å; F240-E243 PolarHBondContact O-N 3.12Å; V241-E243 VanDerWaalsContact C-N 3.32Å; V241-E243 PolarHBondContact O-N 2.82Å; E243-I245 PolarHBondContact O-N 2.68Å; E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 3.3Å; E243-V569 HydrophobicContact CG-CG1 4.11Å
244	K	96.4	Very high	96.7	Very high	42 Å²	42	33.6 Å²	33.6	18%	0.183	19%	0.194	C	C	.	.	H	α-helix	trans	-71.6	-30.4	-173.6	-62.3	-39.3	178.8	-169.2	0	113.5	Y225 F240 V241 K246 T247 I343	Y225-K244 HydrophobicContact CE1-CD 3.97Å; Y225-K244 HydrophobicContact CE1-CG 4.16Å; Y225-K244 HydrophobicContact CE2-CB 4.35Å; Y225-K244 HydrophobicContact CE2-CG 4.29Å; F240-K244 HydrophobicContact CD1-CG 4.42Å; F240-K244 HydrophobicContact CD2-CG 3.98Å; F240-K244 HydrophobicContact CE1-CG 4.03Å; F240-K244 HydrophobicContact CE2-CD 4.2Å; F240-K244 HydrophobicContact CE2-CG 3.57Å; F240-K244 HydrophobicContact CG-CG 4.39Å; F240-K244 HydrophobicContact CZ-CG 3.6Å; F240-K244 WeakPolarHBondContact O-CG 3.25Å; F240-K244 PolarHBondContact O-N 3.29Å; V241-K244 PolarHBondContact O-N 3.17Å; K244-K246 VanDerWaalsContact C-N 3.25Å; K244-K246 PolarHBondContact O-N 3.14Å; K244-T247 WeakPolarHBondContact O-CB 3.47Å; K244-T247 PolarHBondContact O-N 2.95Å; K244-T247 PolarHBondContact O-OG1 2.85Å; K244-I343 HydrophobicContact CB-CD1 3.74Å
245	I	94.6	Very high	96.8	Very high	2 Å²	2	29 Å²	29	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-36.4	174	-75.7	175.2	0	0	0	111.4	V241 E243 T247 L248 L258 I305 T309 F323	V241-I245 HydrophobicContact CG1-CD1 3.36Å; V241-I245 HydrophobicContact CG1-CG1 3.98Å; V241-I245 WeakPolarHBondContact O-CB 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.46Å; V241-I245 PolarHBondContact O-N 3.45Å; E243-I245 PolarHBondContact O-N 2.68Å; I245-T247 VanDerWaalsContact C-N 3.25Å; I245-T247 PolarHBondContact O-N 2.91Å; I245-L248 VanDerWaalsContact O-CB 3.26Å; I245-L248 WeakPolarHBondContact O-CB 3.45Å; I245-L248 PolarHBondContact O-N 2.91Å; I245-L248 VanDerWaalsContact O-N 3.15Å; I245-L258 HydrophobicContact CD1-CD2 3.57Å; I245-L258 HydrophobicContact CG1-CD2 4.01Å; I245-I305 HydrophobicContact CD1-CG2 3.61Å; I245-T309 HydrophobicContact CD1-CG2 3.86Å; I245-T309 HydrophobicContact CG2-CG2 4.07Å; I245-F323 HydrophobicContact CG2-CD1 3.92Å; I245-F323 HydrophobicContact CG2-CE1 3.5Å
246	K	95	Very high	96.8	Very high	63 Å²	63	24.6 Å²	24.6	27%	0.274	13%	0.133	S	C	.	.	H	α-helix	trans	-62.9	-31.9	175.7	-65.1	173.9	-178.3	-175.1	0	112.4	E243 K244 L248 G249 V312 V569	E243-K246 WeakPolarHBondContact O-CB 3.45Å; E243-K246 PolarHBondContact O-N 3.3Å; K244-K246 VanDerWaalsContact C-N 3.25Å; K244-K246 PolarHBondContact O-N 3.14Å; K246-L248 PolarHBondContact O-N 2.78Å; K246-G249 PolarHBondContact O-N 3.4Å; K246-V312 HydrophobicContact CD-CG2 4.4Å; K246-V312 HydrophobicContact CG-CG2 3.81Å; K246-V569 HydrophobicContact CB-CG2 3.46Å; K246-V569 VanDerWaalsContact CB-CG2 3.46Å; K246-V569 HydrophobicContact CD-CG2 4.01Å; K246-V569 HydrophobicContact CG-CG2 4.39Å
247	T	94.5	Very high	96.8	Very high	48 Å²	48	22.4 Å²	22.4	29%	0.294	12%	0.118	S	C	.	.	H	α-helix	trans	-69.1	-19.2	177.9	77.2	0	0	0	0	113.4	K221 K244 I245 G249 V569	K221-T247 PolarHBondContact NZ-O 3.39Å; K244-T247 WeakPolarHBondContact O-CB 3.47Å; K244-T247 PolarHBondContact O-N 2.95Å; K244-T247 PolarHBondContact O-OG1 2.85Å; I245-T247 VanDerWaalsContact C-N 3.25Å; I245-T247 PolarHBondContact O-N 2.91Å; T247-G249 VanDerWaalsContact C-N 3.29Å; T247-V569 HydrophobicContact CG2-CB 4.33Å; T247-V569 HydrophobicContact CG2-CG2 4.21Å
248	L	95.8	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-43.6	169	-61.8	169.4	0	0	0	110.1	K221 F223 I245 K246 Y256 L258 F323 I343 V345	K221-L248 HydrophobicContact CB-CD2 4.06Å; K221-L248 WeakPolarHBondContact CE-O 3.28Å; K221-L248 PolarHBondContact NZ-O 3.19Å; F223-L248 HydrophobicContact CD2-CD2 4.03Å; F223-L248 HydrophobicContact CE2-CD2 3.83Å; I245-L248 VanDerWaalsContact O-CB 3.26Å; I245-L248 WeakPolarHBondContact O-CB 3.45Å; I245-L248 PolarHBondContact O-N 2.91Å; I245-L248 VanDerWaalsContact O-N 3.15Å; K246-L248 PolarHBondContact O-N 2.78Å; L248-Y256 HydrophobicContact CB-CE2 4.43Å; L248-L258 HydrophobicContact CD1-CD1 3.78Å; L248-F323 HydrophobicContact CB-CZ 4.26Å; L248-I343 HydrophobicContact CD1-CG2 4.27Å; L248-I343 HydrophobicContact CD2-CG2 4.38Å; L248-V345 HydrophobicContact CD1-CG1 3.89Å; L248-V345 HydrophobicContact CD2-CG1 4.27Å
249	G	94.5	Very high	96.9	Very high	4 Å²	4	19 Å²	19	4%	0.041	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-157.6	-176.7	0	0	0	0	0	112.7	K246 T247 Y256 F323 N494	K246-G249 PolarHBondContact O-N 3.4Å; T247-G249 VanDerWaalsContact C-N 3.29Å; G249-Y256 WeakPolarHBondContact O-CE2 3.48Å; G249-Y256 PolarHBondContact O-OH 3.15Å; G249-F323 VanDerWaalsContact O-CE2 3.3Å; G249-F323 WeakPolarHBondContact O-CE2 3.41Å; G249-F323 WeakPolarHBondContact O-CZ 3.27Å; G249-N494 WeakPolarHBondContact CA-OD1 3.29Å
250	T	97.2	Very high	97	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.018	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	4.1	-178.4	56.5	0	0	0	0	112.8	A252 C253 P254 I314 Q317 G493 N494 F564	T250-A252 VanDerWaalsContact C-N 3.26Å; T250-A252 PolarHBondContact O-N 3.46Å; T250-C253 PolarHBondContact O-N 3.12Å; T250-P254 HydrophobicContact CG2-CG 4.26Å; T250-I314 HydrophobicContact CG2-CG2 3.39Å; T250-Q317 WeakPolarHBondContact CG2-O 3.22Å; T250-G493 WeakPolarHBondContact OG1-CA 3.22Å; T250-N494 PolarHBondContact N-OD1 3.11Å; T250-N494 PolarHBondContact OG1-N 2.85Å; T250-N494 VanDerWaalsContact OG1-N 3.14Å; T250-F564 HydrophobicContact CG2-CD1 4.46Å; T250-F564 HydrophobicContact CG2-CE1 3.72Å; T250-F564 HydrophobicContact CG2-CZ 4.21Å
251	A	95.7	Very high	97	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.8	-174.8	0	0	0	0	0	115.4	T469 K492	A251-T469 HydrophobicContact CB-CG2 3.49Å; A251-T469 VanDerWaalsContact CB-CG2 3.49Å; A251-T469 PolarHBondContact O-OG1 3.23Å; A251-K492 VanDerWaalsContact O-CE 3.31Å; A251-K492 WeakPolarHBondContact O-CE 3.49Å; A251-K492 PolarHBondContact O-NZ 2.74Å
252	A	97.3	Very high	97.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	18.4	179.8	0	0	0	0	0	113.9	K221 T250 Y256 V345 C347	K221-A252 HydrophobicContact CB-CB 4.21Å; K221-A252 HydrophobicContact CG-CB 3.7Å; T250-A252 VanDerWaalsContact C-N 3.26Å; T250-A252 PolarHBondContact O-N 3.46Å; A252-Y256 HydrophobicContact CB-CE1 3.58Å; A252-Y256 PolarHBondContact N-OH 2.81Å; A252-Y256 VanDerWaalsContact N-OH 3.14Å; A252-Y256 WeakPolarHBondContact O-CE1 3.4Å; A252-V345 HydrophobicContact CB-CG2 4.12Å; A252-C347 WeakPolarHBondContact O-CB 3.43Å
253	C	98.2	Very high	97.3	Very high	10 Å²	10	12.6 Å²	12.6	7%	0.068	6%	0.064	C	C	.	.			trans	60.8	74.4	-179.6	-44.9	0	0	0	0	112.7	T250 S348 K492 G515	T250-C253 PolarHBondContact O-N 3.12Å; C253-S348 PolarHBondContact O-N 3.01Å; C253-S348 VanDerWaalsContact O-N 3.1Å; C253-S348 PolarHBondContact O-OG 3.38Å; C253-K492 WeakPolarHBondContact SG-CD 3.31Å; C253-K492 PolarHBondContact SG-NZ 3.07Å; C253-G515 VanDerWaalsContact SG-CA 3.59Å
254	P	98.5	Very high	97.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-63.4	159.5	164.5	27.7	-33.8	0	0	0	111.1	T250 Y256 Q317 F323	T250-P254 HydrophobicContact CG2-CG 4.26Å; P254-Y256 HydrophobicContact CB-CD1 4.24Å; P254-Y256 HydrophobicContact CB-CD2 3.92Å; P254-Y256 HydrophobicContact CB-CE1 4.09Å; P254-Y256 HydrophobicContact CB-CE2 3.78Å; P254-Y256 HydrophobicContact CB-CG 4.16Å; P254-Y256 WeakPolarHBondContact CD-OH 3.24Å; P254-Y256 HydrophobicContact CG-CE2 4.22Å; P254-Q317 HydrophobicContact CG-CB 4.48Å; P254-Q317 HydrophobicContact CG-CG 3.74Å; P254-Q317 WeakPolarHBondContact O-CG 3.39Å; P254-Q317 PolarHBondContact O-NE2 3.45Å; P254-Q317 VanDerWaalsContact O-NE2 3.11Å; P254-F323 HydrophobicContact CB-CD2 4.06Å; P254-F323 HydrophobicContact CB-CE2 4.32Å; P254-F323 WeakPolarHBondContact CB-O 3.49Å; P254-F323 HydrophobicContact CG-CD2 4.27Å; P254-F323 HydrophobicContact CG-CE2 4.29Å
255	P	98.7	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	S	Bend	cis	-75	139.4	11.3	-12.2	27.2	0	0	0	113.8	I102 A316 Y322 F323 H325	I102-P255 HydrophobicContact CD1-CG 3.72Å; P255-A316 HydrophobicContact CG-CB 3.83Å; P255-Y322 WeakPolarHBondContact CB-O 3.41Å; P255-F323 WeakPolarHBondContact CA-O 3.43Å; P255-H325 PolarHBondContact O-CD2 3.13Å
256	Y	98.7	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.3	-175.4	-61	-51.6	0	0	0	114.1	L248 G249 A252 P254 F323 C324 H325 V345 S346	L248-Y256 HydrophobicContact CB-CE2 4.43Å; G249-Y256 WeakPolarHBondContact O-CE2 3.48Å; G249-Y256 PolarHBondContact O-OH 3.15Å; A252-Y256 HydrophobicContact CB-CE1 3.58Å; A252-Y256 PolarHBondContact N-OH 2.81Å; A252-Y256 VanDerWaalsContact N-OH 3.14Å; A252-Y256 WeakPolarHBondContact O-CE1 3.4Å; P254-Y256 HydrophobicContact CB-CD1 4.24Å; P254-Y256 HydrophobicContact CB-CD2 3.92Å; P254-Y256 HydrophobicContact CB-CE1 4.09Å; P254-Y256 HydrophobicContact CB-CE2 3.78Å; P254-Y256 HydrophobicContact CB-CG 4.16Å; P254-Y256 WeakPolarHBondContact CD-OH 3.24Å; P254-Y256 HydrophobicContact CG-CE2 4.22Å; Y256-F323 HydrophobicContact CD2-CD2 4.38Å; Y256-F323 HydrophobicContact CD2-CE1 4.18Å; Y256-F323 HydrophobicContact CD2-CE2 4.03Å; Y256-F323 AromaticContact CD2-CZ 3.94Å; Y256-F323 HydrophobicContact CD2-CZ 3.94Å; Y256-F323 WeakPolarHBondContact CD2-O 3.43Å; Y256-F323 HydrophobicContact CE2-CD2 4.21Å; Y256-F323 HydrophobicContact CE2-CE1 4.17Å; Y256-F323 AromaticContact CE2-CE2 3.49Å; Y256-F323 HydrophobicContact CE2-CE2 3.49Å; Y256-F323 VanDerWaalsContact CE2-CE2 3.49Å; Y256-F323 AromaticContact CE2-CZ 3.49Å; Y256-F323 HydrophobicContact CE2-CZ 3.49Å; Y256-F323 VanDerWaalsContact CE2-CZ 3.49Å; Y256-F323 PolarHBondContact N-O 3.45Å; Y256-C324 CarbonylContact O-C 3.5Å; Y256-C324 VanDerWaalsContact O-CA 3.26Å; Y256-C324 WeakPolarHBondContact O-CA 3.42Å; Y256-H325 PolarHBondContact O-N 3.3Å; Y256-V345 HydrophobicContact CD1-CB 3.78Å; Y256-V345 HydrophobicContact CD1-CG1 4Å; Y256-V345 HydrophobicContact CD1-CG2 3.9Å; Y256-V345 HydrophobicContact CD2-CG1 3.98Å; Y256-V345 HydrophobicContact CE1-CB 4.39Å; Y256-V345 HydrophobicContact CE1-CG2 4.03Å; Y256-V345 HydrophobicContact CG-CB 3.92Å; Y256-V345 HydrophobicContact CG-CG1 3.67Å; Y256-V345 HydrophobicContact CG-CG2 4.43Å; Y256-S346 WeakPolarHBondContact CA-O 3.48Å
257	H	98.8	Very high	97.9	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.009	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	98.6	151.1	-62.1	-65.3	0	0	0	107.8	H95 K280 H325 D326 V345 S346 D350	H95-H257 AromaticContact CE1-NE2 3.88Å; H95-H257 AromaticContact CG-NE2 3.89Å; H95-H257 AromaticContact ND1-CD2 3.82Å; H95-H257 AromaticContact ND1-CE1 3.93Å; H95-H257 AromaticContact ND1-NE2 2.94Å; H95-H257 PolarHBondContact ND1-NE2 2.87Å; H257-K280 PolarHBondContact CE1-NZ 3.46Å; H257-K280 WeakPolarHBondContact ND1-CE 3.49Å; H257-K280 PolarHBondContact ND1-NZ 3.33Å; H257-H325 AromaticContact CE1-CD2 3.73Å; H257-H325 AromaticContact CE1-CG 3.93Å; H257-H325 AromaticContact NE2-CD2 3.72Å; H257-D326 IonicContact CE1-OD1 3.27Å; H257-D326 IonicContact CE1-OD2 2.72Å; H257-D326 IonicContact CG-OD1 2.78Å; H257-D326 VanDerWaalsContact ND1-CG 3.3Å; H257-D326 IonicContact ND1-OD1 3.49Å; H257-D326 PolarHBondContact ND1-OD1 3.33Å; H257-D326 IonicContact ND1-OD2 3.57Å; H257-D326 PolarHBondContact ND1-OD2 3.36Å; H257-V345 CarbonylContact O-C 3.44Å; H257-V345 WeakPolarHBondContact O-CA 3.46Å; H257-S346 PolarHBondContact N-O 3.13Å; H257-S346 PolarHBondContact O-N 2.6Å; H257-D350 IonicContact CD2-OD1 3.7Å; H257-D350 IonicContact CD2-OD2 2.74Å; H257-D350 IonicContact NE2-OD2 3.72Å
258	L	98.8	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134	-174.6	177	64.6	0	0	0	110.6	I245 L248 V260 I305 T309 D326 V327 R328 I343 V345	I245-L258 HydrophobicContact CD1-CD2 3.57Å; I245-L258 HydrophobicContact CG1-CD2 4.01Å; L248-L258 HydrophobicContact CD1-CD1 3.78Å; L258-V260 HydrophobicContact CD2-CG2 4.39Å; L258-V260 HydrophobicContact CG-CG2 4.25Å; L258-I305 HydrophobicContact CD2-CG2 3.89Å; L258-T309 HydrophobicContact CD2-CG2 4.05Å; L258-D326 PolarHBondContact N-O 3.15Å; L258-D326 VanDerWaalsContact N-O 3.09Å; L258-V327 HydrophobicContact CB-CG1 4.48Å; L258-V327 HydrophobicContact CB-CG2 4.22Å; L258-V327 HydrophobicContact CD2-CG1 4.28Å; L258-V327 HydrophobicContact CD2-CG2 4.14Å; L258-V327 HydrophobicContact CG-CG1 4.35Å; L258-V327 CarbonylContact O-C 3.59Å; L258-V327 VanDerWaalsContact O-CA 3.31Å; L258-V327 WeakPolarHBondContact O-CA 3.48Å; L258-R328 PolarHBondContact O-N 2.91Å; L258-I343 HydrophobicContact CD1-CG2 3.82Å; L258-V345 HydrophobicContact CD1-CG1 3.96Å
259	A	98.9	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.1	171.6	0	0	0	0	0	110.6	V274 A277 R328 I343 G344	A259-V274 HydrophobicContact CB-CG1 4.11Å; A259-A277 HydrophobicContact CB-CB 3.79Å; A259-R328 CarbonylContact C-O 3.57Å; A259-R328 WeakPolarHBondContact CA-O 3.35Å; A259-I343 WeakPolarHBondContact O-CA 3.35Å; A259-G344 PolarHBondContact N-O 3.12Å; A259-G344 PolarHBondContact O-N 2.75Å
260	V	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.5	173.7	-177.2	0	0	0	0	108.3	V241 L258 I262 I305 R328 V329 I330 G342 I343	V241-V260 HydrophobicContact CG2-CG1 4.48Å; L258-V260 HydrophobicContact CD2-CG2 4.39Å; L258-V260 HydrophobicContact CG-CG2 4.25Å; V260-I262 HydrophobicContact CG1-CG1 4.23Å; V260-I305 HydrophobicContact CG2-CD1 4.29Å; V260-R328 PolarHBondContact N-O 2.85Å; V260-V329 HydrophobicContact CB-CG2 4.42Å; V260-V329 CarbonylContact O-C 3.48Å; V260-V329 VanDerWaalsContact O-CA 3.29Å; V260-V329 WeakPolarHBondContact O-CA 3.47Å; V260-I330 PolarHBondContact O-N 3.29Å; V260-G342 CarbonylContact C-O 3.45Å; V260-G342 WeakPolarHBondContact CA-O 3.37Å; V260-I343 HydrophobicContact CG1-CG1 4.35Å; V260-I343 HydrophobicContact CG2-CG1 4.39Å
261	V	98.9	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.7	178.2	-179.1	0	0	0	0	109.4	T270 T273 V274 I330 L332 V341 G342	V261-T270 HydrophobicContact CB-CG2 4.29Å; V261-T270 HydrophobicContact CG1-CG2 4.05Å; V261-T273 HydrophobicContact CG1-CG2 3.94Å; V261-T273 HydrophobicContact CG2-CG2 3.89Å; V261-V274 HydrophobicContact CB-CG2 3.7Å; V261-V274 HydrophobicContact CG2-CB 4.12Å; V261-V274 HydrophobicContact CG2-CG2 3.46Å; V261-V274 VanDerWaalsContact CG2-CG2 3.46Å; V261-I330 CarbonylContact C-O 3.55Å; V261-I330 VanDerWaalsContact CA-O 3.29Å; V261-I330 WeakPolarHBondContact CA-O 3.46Å; V261-I330 HydrophobicContact CG2-CB 4.2Å; V261-L332 HydrophobicContact CG1-CD1 3.59Å; V261-L332 HydrophobicContact CG1-CG 3.91Å; V261-V341 CarbonylContact O-C 3.49Å; V261-V341 VanDerWaalsContact O-CA 3.3Å; V261-V341 WeakPolarHBondContact O-CA 3.34Å; V261-G342 PolarHBondContact N-O 3.17Å; V261-G342 PolarHBondContact O-N 3.23Å
262	I	98.9	Very high	98.6	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.036	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.8	-176.4	-57.5	166.3	0	0	0	109.5	L232 L237 V260 V329 I330 R331 L332	L232-I262 HydrophobicContact CD2-CG2 3.57Å; L237-I262 HydrophobicContact CD1-CD1 3.71Å; L237-I262 HydrophobicContact CD1-CG1 4.42Å; L237-I262 HydrophobicContact CD2-CD1 3.75Å; L237-I262 HydrophobicContact CG-CD1 4.34Å; V260-I262 HydrophobicContact CG1-CG1 4.23Å; I262-V329 HydrophobicContact CD1-CG1 4.34Å; I262-I330 PolarHBondContact N-O 3.42Å; I262-R331 WeakPolarHBondContact O-CD 3.47Å; I262-R331 PolarHBondContact O-NH1 3.24Å; I262-L332 PolarHBondContact O-N 2.92Å
263	G	98.8	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.3	-175.4	-171.2	0	0	0	0	0	112	T270 P340	G263-T270 PolarHBondContact O-OG1 2.93Å; G263-P340 WeakPolarHBondContact CA-O 3.17Å; G263-P340 PolarHBondContact N-O 2.75Å
264	G	98.5	Very high	98.7	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	153.4	-174.3	0	0	0	0	0	110.7	S266 P333	G264-S266 VanDerWaalsContact C-N 3.3Å; G264-P333 CarbonylContact C-O 3.26Å; G264-P333 WeakPolarHBondContact CA-O 3.36Å; G264-P333 PolarHBondContact N-O 3.47Å
265	T	98.5	Very high	98.7	Very high	87 Å²	87	24 Å²	24	53%	0.534	13%	0.126	S	C	.	.	S	Bend	trans	-75.4	-24.1	175.4	48.3	0	0	0	0	112.2	I37 F269	I37-T265 HydrophobicContact CD1-CG2 4.02Å; T265-F269 WeakPolarHBondContact OG1-CD1 3.19Å
266	S	98.7	Very high	98.7	Very high	32 Å²	32	24.6 Å²	24.6	22%	0.224	13%	0.129	C	C	.	.	S	Bend	trans	-157.9	172.7	176.1	64.9	0	0	0	0	111.1	G264 E268 F269 T270	G264-S266 VanDerWaalsContact C-N 3.3Å; S266-E268 VanDerWaalsContact CB-CD 3.42Å; S266-E268 WeakPolarHBondContact CB-OE1 3.43Å; S266-E268 WeakPolarHBondContact CB-OE2 3.45Å; S266-E268 PolarHBondContact OG-OE1 3.13Å; S266-E268 PolarHBondContact OG-OE2 2.66Å; S266-F269 WeakPolarHBondContact OG-CB 3.35Å; S266-F269 PolarHBondContact OG-N 2.84Å; S266-T270 PolarHBondContact O-N 3.29Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.06Å
267	A	98.7	Very high	98.7	Very high	28 Å²	28	24.6 Å²	24.6	23%	0.231	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-49.8	178.6	0	0	0	0	0	111.4	L224 F269 T270 L271	L224-A267 HydrophobicContact CD1-CB 4.44Å; L224-A267 HydrophobicContact CD2-CB 3.55Å; A267-F269 PolarHBondContact O-N 3.09Å; A267-T270 WeakPolarHBondContact O-CB 3.38Å; A267-T270 PolarHBondContact O-N 3.4Å; A267-L271 WeakPolarHBondContact O-CG 3.45Å; A267-L271 PolarHBondContact O-N 3.47Å
268	E	98.5	Very high	98.7	Very high	134 Å²	134	24.6 Å²	24.6	63%	0.626	13%	0.13	S	C	*	.	H	α-helix	trans	-64.2	-38.6	-179.9	64.5	-74.6	173.2	0	0	112.4	S266 L271 K272	S266-E268 VanDerWaalsContact CB-CD 3.42Å; S266-E268 WeakPolarHBondContact CB-OE1 3.43Å; S266-E268 WeakPolarHBondContact CB-OE2 3.45Å; S266-E268 PolarHBondContact OG-OE1 3.13Å; S266-E268 PolarHBondContact OG-OE2 2.66Å; E268-L271 PolarHBondContact O-N 3.3Å; E268-K272 VanDerWaalsContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CB 3.43Å; E268-K272 PolarHBondContact O-N 2.71Å
269	F	98.6	Very high	98.7	Very high	54 Å²	54	24.6 Å²	24.6	24%	0.237	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-38.2	174.1	-170.7	-102.2	0	0	0	112	I37 L38 T265 S266 A267 T273 L332	I37-F269 HydrophobicContact CG2-CE1 4.18Å; I37-F269 HydrophobicContact CG2-CZ 4.27Å; L38-F269 HydrophobicContact CD1-CZ 4.23Å; L38-F269 HydrophobicContact CG-CZ 4.26Å; T265-F269 WeakPolarHBondContact OG1-CD1 3.19Å; S266-F269 WeakPolarHBondContact OG-CB 3.35Å; S266-F269 PolarHBondContact OG-N 2.84Å; A267-F269 PolarHBondContact O-N 3.09Å; F269-T273 WeakPolarHBondContact O-CB 3.41Å; F269-T273 PolarHBondContact O-N 2.8Å; F269-T273 PolarHBondContact O-OG1 3.22Å; F269-L332 HydrophobicContact CD1-CD1 3.98Å; F269-L332 HydrophobicContact CE1-CD1 3.9Å; F269-L332 HydrophobicContact CE1-CD2 4.37Å
270	T	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-51.9	174.3	-54.6	0	0	0	0	110.4	V261 G263 S266 A267 K272 T273 V274 P340	V261-T270 HydrophobicContact CB-CG2 4.29Å; V261-T270 HydrophobicContact CG1-CG2 4.05Å; G263-T270 PolarHBondContact O-OG1 2.93Å; S266-T270 PolarHBondContact O-N 3.29Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.06Å; A267-T270 WeakPolarHBondContact O-CB 3.38Å; A267-T270 PolarHBondContact O-N 3.4Å; T270-K272 PolarHBondContact O-N 3.46Å; T270-T273 WeakPolarHBondContact O-CB 3.42Å; T270-T273 PolarHBondContact O-N 3.31Å; T270-T273 VanDerWaalsContact O-N 3.13Å; T270-V274 WeakPolarHBondContact O-CG2 3.28Å; T270-V274 PolarHBondContact O-N 3.14Å; T270-P340 HydrophobicContact CG2-CB 4.29Å; T270-P340 WeakPolarHBondContact OG1-CG 3.16Å
271	L	98.8	Very high	98.7	Very high	53 Å²	53	27.3 Å²	27.3	28%	0.277	14%	0.141	S	C	.	.	H	α-helix	trans	-67.4	-36.7	-178.1	-66.1	-175	0	0	0	113	T222 L224 A267 E268 T273 V274 K275	T222-L271 HydrophobicContact CG2-CD2 4.04Å; L224-L271 HydrophobicContact CB-CD1 4.24Å; L224-L271 HydrophobicContact CB-CD2 4.01Å; L224-L271 HydrophobicContact CB-CG 4.4Å; L224-L271 HydrophobicContact CD1-CD2 4.27Å; L224-L271 HydrophobicContact CD1-CG 4.39Å; A267-L271 WeakPolarHBondContact O-CG 3.45Å; A267-L271 PolarHBondContact O-N 3.47Å; E268-L271 PolarHBondContact O-N 3.3Å; L271-T273 VanDerWaalsContact C-N 3.3Å; L271-T273 PolarHBondContact O-N 2.93Å; L271-V274 WeakPolarHBondContact O-CB 2.98Å; L271-V274 PolarHBondContact O-N 2.92Å; L271-K275 PolarHBondContact O-N 3.41Å
272	K	98.7	Very high	98.6	Very high	54 Å²	54	27.4 Å²	27.4	24%	0.235	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-42.6	170.5	-176.6	178.9	179.6	-180	0	111.2	E198 Y200 E268 T270 V274 K275 L276	E198-K272 IonicContact OE2-NZ 2.78Å; E198-K272 PolarHBondContact OE2-NZ 3.27Å; Y200-K272 PolarHBondContact OH-NZ 3.11Å; E268-K272 VanDerWaalsContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CB 3.43Å; E268-K272 PolarHBondContact O-N 2.71Å; T270-K272 PolarHBondContact O-N 3.46Å; K272-V274 VanDerWaalsContact C-N 3.33Å; K272-V274 PolarHBondContact O-N 2.92Å; K272-K275 WeakPolarHBondContact O-CB 3.33Å; K272-K275 PolarHBondContact O-N 2.96Å; K272-L276 HydrophobicContact CG-CD1 4.38Å; K272-L276 WeakPolarHBondContact O-CG 3.43Å; K272-L276 PolarHBondContact O-N 2.92Å
273	T	98.8	Very high	98.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-39.4	176.9	-55.4	0	0	0	0	111.2	L38 V261 F269 T270 L271 K275 L276 A277 L282 I330 L332	L38-T273 HydrophobicContact CD2-CG2 4.47Å; V261-T273 HydrophobicContact CG1-CG2 3.94Å; V261-T273 HydrophobicContact CG2-CG2 3.89Å; F269-T273 WeakPolarHBondContact O-CB 3.41Å; F269-T273 PolarHBondContact O-N 2.8Å; F269-T273 PolarHBondContact O-OG1 3.22Å; T270-T273 WeakPolarHBondContact O-CB 3.42Å; T270-T273 PolarHBondContact O-N 3.31Å; T270-T273 VanDerWaalsContact O-N 3.13Å; L271-T273 VanDerWaalsContact C-N 3.3Å; L271-T273 PolarHBondContact O-N 2.93Å; T273-K275 VanDerWaalsContact C-N 3.31Å; T273-K275 PolarHBondContact O-N 2.87Å; T273-L276 PolarHBondContact O-N 2.77Å; T273-A277 VanDerWaalsContact O-CB 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.42Å; T273-A277 PolarHBondContact O-N 3.21Å; T273-L282 HydrophobicContact CG2-CD1 3.74Å; T273-I330 HydrophobicContact CG2-CB 4.32Å; T273-I330 HydrophobicContact CG2-CG2 4.02Å; T273-L332 HydrophobicContact CG2-CD1 4.07Å; T273-L332 HydrophobicContact CG2-CD2 4.29Å; T273-L332 HydrophobicContact CG2-CG 4.44Å
274	V	98.9	Very high	98.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-45.2	173.2	175.4	0	0	0	0	110.4	T222 A259 V261 T270 L271 K272 A277 S278 G342	T222-V274 HydrophobicContact CG2-CG1 4.34Å; A259-V274 HydrophobicContact CB-CG1 4.11Å; V261-V274 HydrophobicContact CB-CG2 3.7Å; V261-V274 HydrophobicContact CG2-CB 4.12Å; V261-V274 HydrophobicContact CG2-CG2 3.46Å; V261-V274 VanDerWaalsContact CG2-CG2 3.46Å; T270-V274 WeakPolarHBondContact O-CG2 3.28Å; T270-V274 PolarHBondContact O-N 3.14Å; L271-V274 WeakPolarHBondContact O-CB 2.98Å; L271-V274 PolarHBondContact O-N 2.92Å; K272-V274 VanDerWaalsContact C-N 3.33Å; K272-V274 PolarHBondContact O-N 2.92Å; V274-A277 PolarHBondContact O-N 2.87Å; V274-S278 WeakPolarHBondContact O-CB 3.33Å; V274-S278 PolarHBondContact O-N 3.11Å; V274-S278 PolarHBondContact O-OG 2.85Å; V274-G342 VanDerWaalsContact CG2-C 3.48Å
275	K	98.7	Very high	98.5	Very high	49 Å²	49	30.3 Å²	30.3	21%	0.213	16%	0.156	C	C	.	.	H	α-helix	trans	-56.4	-53.7	177.6	-179.7	59.2	63.7	-149.5	0	111	L271 K272 T273 A277 S278 C279	L271-K275 PolarHBondContact O-N 3.41Å; K272-K275 WeakPolarHBondContact O-CB 3.33Å; K272-K275 PolarHBondContact O-N 2.96Å; T273-K275 VanDerWaalsContact C-N 3.31Å; T273-K275 PolarHBondContact O-N 2.87Å; K275-A277 PolarHBondContact O-N 2.79Å; K275-S278 PolarHBondContact O-N 3.18Å; K275-S278 PolarHBondContact O-OG 3.2Å; K275-C279 PolarHBondContact O-N 2.71Å; K275-C279 VanDerWaalsContact O-N 3.16Å; K275-C279 PolarHBondContact O-SG 3.1Å
276	L	98.7	Very high	98.5	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.063	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-42.2	-178.4	-65.3	176.9	0	0	0	112.1	M143 L210 K272 T273 C279 K280 Y281 L282	M143-L276 HydrophobicContact CE-CD2 3.77Å; M143-L276 HydrophobicContact SD-CD2 3.91Å; L210-L276 HydrophobicContact CD2-CD2 3.79Å; K272-L276 HydrophobicContact CG-CD1 4.38Å; K272-L276 WeakPolarHBondContact O-CG 3.43Å; K272-L276 PolarHBondContact O-N 2.92Å; T273-L276 PolarHBondContact O-N 2.77Å; L276-C279 CarbonylContact O-C 3.56Å; L276-C279 PolarHBondContact O-N 3.2Å; L276-K280 PolarHBondContact O-N 3.09Å; L276-Y281 HydrophobicContact CB-CD1 4.39Å; L276-Y281 HydrophobicContact CD1-CD1 4.42Å; L276-Y281 HydrophobicContact CD2-CD1 4.08Å; L276-Y281 HydrophobicContact CD2-CG 4.15Å; L276-Y281 WeakPolarHBondContact O-CB 3.43Å; L276-Y281 PolarHBondContact O-N 3.45Å; L276-L282 HydrophobicContact CB-CD1 3.91Å; L276-L282 HydrophobicContact CB-CD2 4.45Å; L276-L282 HydrophobicContact CB-CG 3.93Å
277	A	98.8	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-42.6	175.7	0	0	0	0	0	111.8	A259 T273 V274 K275 C279 K280 L282 R328 I330	A259-A277 HydrophobicContact CB-CB 3.79Å; T273-A277 VanDerWaalsContact O-CB 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.42Å; T273-A277 PolarHBondContact O-N 3.21Å; V274-A277 PolarHBondContact O-N 2.87Å; K275-A277 PolarHBondContact O-N 2.79Å; A277-C279 PolarHBondContact O-N 3.31Å; A277-K280 PolarHBondContact O-N 3.19Å; A277-L282 HydrophobicContact CB-CD1 4.31Å; A277-R328 HydrophobicContact CB-CB 4.24Å; A277-I330 HydrophobicContact CB-CG1 3.92Å
278	S	98.7	Very high	98.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-24	177.6	72.5	0	0	0	0	113.4	V274 K275 K280	V274-S278 WeakPolarHBondContact O-CB 3.33Å; V274-S278 PolarHBondContact O-N 3.11Å; V274-S278 PolarHBondContact O-OG 2.85Å; K275-S278 PolarHBondContact O-N 3.18Å; K275-S278 PolarHBondContact O-OG 3.2Å; S278-K280 VanDerWaalsContact C-N 3.32Å
279	C	98.6	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.3	174.2	-67	0	0	0	0	113.1	R92 L210 K275 L276 A277 Y281 Q352	R92-C279 PolarHBondContact NH1-O 2.89Å; L210-C279 HydrophobicContact CD2-CB 4.46Å; K275-C279 PolarHBondContact O-N 2.71Å; K275-C279 VanDerWaalsContact O-N 3.16Å; K275-C279 PolarHBondContact O-SG 3.1Å; L276-C279 CarbonylContact O-C 3.56Å; L276-C279 PolarHBondContact O-N 3.2Å; A277-C279 PolarHBondContact O-N 3.31Å; C279-Y281 PolarHBondContact O-N 3.03Å; C279-Q352 HydrophobicContact CB-CG 4.17Å
280	K	97.9	Very high	98.3	Very high	35 Å²	35	25.1 Å²	25.1	15%	0.152	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	20.3	-176.1	-57.3	-178.4	177.2	-175.8	0	114.3	H257 L276 A277 S278 L282 D283 D326	H257-K280 PolarHBondContact CE1-NZ 3.46Å; H257-K280 WeakPolarHBondContact ND1-CE 3.49Å; H257-K280 PolarHBondContact ND1-NZ 3.33Å; L276-K280 PolarHBondContact O-N 3.09Å; A277-K280 PolarHBondContact O-N 3.19Å; S278-K280 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 2.95Å; K280-D283 WeakPolarHBondContact CA-OD1 3.49Å; K280-D326 VanDerWaalsContact CE-OD2 3.22Å; K280-D326 WeakPolarHBondContact CE-OD2 3.5Å; K280-D326 IonicContact NZ-OD2 3.17Å; K280-D326 PolarHBondContact NZ-OD2 3.33Å
281	Y	98.3	Very high	98.1	Very high	22 Å²	22	32 Å²	32	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.6	-179.1	-174.7	-88.2	0	0	0	112.5	P44 M143 K145 L210 L276 C279 L354	P44-Y281 HydrophobicContact CB-CD2 3.99Å; P44-Y281 HydrophobicContact CB-CE1 4.46Å; P44-Y281 HydrophobicContact CB-CE2 3.86Å; P44-Y281 HydrophobicContact CB-CG 4.38Å; P44-Y281 HydrophobicContact CG-CD1 4.23Å; P44-Y281 HydrophobicContact CG-CD2 4.19Å; P44-Y281 HydrophobicContact CG-CE1 3.68Å; P44-Y281 HydrophobicContact CG-CE2 3.68Å; P44-Y281 HydrophobicContact CG-CG 4.44Å; M143-Y281 HydrophobicContact CE-CD1 4.39Å; M143-Y281 HydrophobicContact CE-CD2 4.24Å; M143-Y281 HydrophobicContact CE-CE1 3.85Å; M143-Y281 HydrophobicContact CE-CE2 3.63Å; M143-Y281 VanDerWaalsContact CE-CZ 3.42Å; K145-Y281 WeakPolarHBondContact CE-OH 3.3Å; L210-Y281 HydrophobicContact CB-CD2 4.16Å; L210-Y281 HydrophobicContact CB-CE2 4.12Å; L210-Y281 HydrophobicContact CD1-CD2 4.32Å; L210-Y281 HydrophobicContact CD2-CD2 3.79Å; L210-Y281 HydrophobicContact CD2-CE2 4.45Å; L210-Y281 HydrophobicContact CD2-CG 4.21Å; L210-Y281 HydrophobicContact CG-CD2 4.31Å; L276-Y281 HydrophobicContact CB-CD1 4.39Å; L276-Y281 HydrophobicContact CD1-CD1 4.42Å; L276-Y281 HydrophobicContact CD2-CD1 4.08Å; L276-Y281 HydrophobicContact CD2-CG 4.15Å; L276-Y281 WeakPolarHBondContact O-CB 3.43Å; L276-Y281 PolarHBondContact O-N 3.45Å; C279-Y281 PolarHBondContact O-N 3.03Å; Y281-L354 HydrophobicContact CD2-CD2 4.01Å; Y281-L354 HydrophobicContact CE2-CD2 4.07Å
282	L	98.2	Very high	97.9	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	15.6	-175.7	-59.3	178.2	0	0	0	113.2	L38 L40 T273 L276 A277 K280 H284 L285 I330	L38-L282 HydrophobicContact CD1-CD2 4.34Å; L40-L282 HydrophobicContact CD2-CD2 4.3Å; T273-L282 HydrophobicContact CG2-CD1 3.74Å; L276-L282 HydrophobicContact CB-CD1 3.91Å; L276-L282 HydrophobicContact CB-CD2 4.45Å; L276-L282 HydrophobicContact CB-CG 3.93Å; A277-L282 HydrophobicContact CB-CD1 4.31Å; K280-L282 PolarHBondContact O-N 2.95Å; L282-H284 PolarHBondContact O-N 3.14Å; L282-H284 VanDerWaalsContact O-N 3.15Å; L282-L285 HydrophobicContact CB-CD1 3.84Å; L282-L285 HydrophobicContact CB-CG 4.18Å; L282-L285 HydrophobicContact CD1-CD1 4.32Å; L282-L285 HydrophobicContact CG-CD1 4.44Å; L282-L285 WeakPolarHBondContact O-CB 3.37Å; L282-L285 PolarHBondContact O-N 2.82Å; L282-I330 HydrophobicContact CD1-CG1 4.3Å
283	D	97.8	Very high	97.8	Very high	37 Å²	37	32 Å²	32	20%	0.198	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23	-173.4	-84	21.5	0	0	0	113.7	K280 R297 R328	K280-D283 WeakPolarHBondContact CA-OD1 3.49Å; D283-R297 PolarHBondContact O-NH1 3.16Å; D283-R328 VanDerWaalsContact CG-NE 3.31Å; D283-R328 WeakPolarHBondContact OD1-CD 3.34Å; D283-R328 IonicContact OD1-CZ 3.12Å; D283-R328 IonicContact OD1-NE 2.74Å; D283-R328 PolarHBondContact OD1-NE 2.91Å; D283-R328 IonicContact OD1-NH2 3.13Å; D283-R328 IonicContact OD2-CZ 3.29Å; D283-R328 IonicContact OD2-NE 3.65Å; D283-R328 PolarHBondContact OD2-NE 2.85Å; D283-R328 IonicContact OD2-NH2 2.6Å; D283-R328 PolarHBondContact OD2-NH2 2.88Å
284	H	97.6	Very high	97.7	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.157	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	15	177	-56	151.6	0	0	0	114.2	L40 E41 K42 P43 L282	L40-H284 HydrophobicContact CB-CB 4.44Å; L40-H284 HydrophobicContact CD2-CB 4.46Å; E41-H284 PolarHBondContact N-O 2.97Å; K42-H284 HydrophobicContact CB-CB 4.23Å; K42-H284 VanDerWaalsContact O-CB 3.29Å; K42-H284 WeakPolarHBondContact O-CB 3.36Å; K42-H284 PolarHBondContact O-ND1 3.29Å; P43-H284 PolarHBondContact O-CE1 2.78Å; P43-H284 PolarHBondContact O-ND1 3.19Å; L282-H284 PolarHBondContact O-N 3.14Å; L282-H284 VanDerWaalsContact O-N 3.15Å
285	L	98.1	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-63.2	148.7	167	-79.8	174.5	0	0	0	110.3	L40 L282 A295 R297 I330	L40-L285 HydrophobicContact CD2-CB 4.44Å; L40-L285 HydrophobicContact CD2-CD2 3.79Å; L40-L285 HydrophobicContact CD2-CG 3.72Å; L282-L285 HydrophobicContact CB-CD1 3.84Å; L282-L285 HydrophobicContact CB-CG 4.18Å; L282-L285 HydrophobicContact CD1-CD1 4.32Å; L282-L285 HydrophobicContact CG-CD1 4.44Å; L282-L285 WeakPolarHBondContact O-CB 3.37Å; L282-L285 PolarHBondContact O-N 2.82Å; L285-A295 HydrophobicContact CD1-CB 4.27Å; L285-A295 HydrophobicContact CD2-CB 4.23Å; L285-R297 HydrophobicContact CB-CB 4.1Å; L285-I330 HydrophobicContact CD1-CD1 3.77Å; L285-I330 HydrophobicContact CD1-CG1 4.35Å; L285-I330 HydrophobicContact CD1-CG2 3.84Å
286	P	98	Very high	97.7	Very high	2 Å²	2	34 Å²	34	1%	0.013	19%	0.186	C	C	.	.			trans	-60.1	157.2	173.3	27.3	-35.7	0	0	0	110.6	Q39 E41 T288 F296 R297	Q39-P286 WeakPolarHBondContact O-CD 3.49Å; E41-P286 HydrophobicContact CG-CB 4.23Å; E41-P286 WeakPolarHBondContact OE1-CA 3.35Å; P286-T288 VanDerWaalsContact C-N 3.35Å; P286-F296 CarbonylContact O-C 3.54Å; P286-F296 WeakPolarHBondContact O-CA 2.99Å; P286-F296 WeakPolarHBondContact O-CB 3.05Å; P286-R297 PolarHBondContact O-N 3Å
287	S	98	Very high	97.7	Very high	52 Å²	52	35.1 Å²	35.1	36%	0.364	19%	0.189	S	C	.	.	S	Bend	trans	-87.9	-0.6	178.4	61.3	0	0	0	0	114.4	R297	S287-R297 WeakPolarHBondContact CA-O 3.45Å
288	T	98	Very high	97.7	Very high	80 Å²	80	37.3 Å²	37.3	49%	0.491	20%	0.201	S	C	.	.	S	Bend	trans	-134.8	143.4	-178.3	59.6	0	0	0	0	111.6	P286 R294 F296	P286-T288 VanDerWaalsContact C-N 3.35Å; T288-R294 VanDerWaalsContact O-CZ 3.26Å; T288-R294 PolarHBondContact O-NE 3.07Å; T288-R294 PolarHBondContact O-NH2 3.27Å; T288-R294 PolarHBondContact OG1-NH2 2.77Å; T288-F296 VanDerWaalsContact C-CB 3.46Å; T288-F296 WeakPolarHBondContact O-CB 3.47Å
289	G	97.4	Very high	97.7	Very high	36 Å²	36	43 Å²	43	37%	0.371	22%	0.222	S	C	.	.			trans	-72.3	177.8	168.7	0	0	0	0	0	112.6	F296	G289-F296 VanDerWaalsContact CA-CD1 3.48Å; G289-F296 VanDerWaalsContact N-CD1 3.33Å
290	N	96.7	Very high	97.7	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.294	25%	0.248	S	C	.	.			trans	-143.1	172.9	171.1	69.1	6.9	0	0	0	110.7	Q35 H292 G293 R294	Q35-N290 PolarHBondContact NE2-OD1 3.48Å; Q35-N290 PolarHBondContact OE1-ND2 3.37Å; N290-H292 PolarHBondContact O-N 3.43Å; N290-H292 PolarHBondContact OD1-N 3.4Å; N290-G293 PolarHBondContact O-N 2.97Å; N290-G293 VanDerWaalsContact O-N 3.14Å; N290-G293 PolarHBondContact OD1-N 3.08Å; N290-G293 VanDerWaalsContact OD1-N 3.11Å; N290-R294 HydrophobicContact CB-CG 4.32Å; N290-R294 WeakPolarHBondContact ND2-CD 3.26Å; N290-R294 WeakPolarHBondContact OD1-CG 3.17Å; N290-R294 PolarHBondContact OD1-N 3.02Å; N290-R294 VanDerWaalsContact OD1-N 3.08Å
291	E	94.6	Very high	97.7	Very high	145 Å²	145	47 Å²	47	68%	0.678	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	-178.6	66.4	177.6	127.3	0	0	114.2	K30	K30-E291 IonicContact NZ-OE2 2.59Å; K30-E291 PolarHBondContact NZ-OE2 3.3Å
292	H	95.5	Very high	97.7	Very high	83 Å²	83	46.6 Å²	46.6	38%	0.384	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.6	179.2	-55.8	-62.1	0	0	0	112.9	F33 Q35 N290	F33-H292 HydrophobicContact CD1-CB 4.14Å; F33-H292 AromaticContact CD1-CD2 3.55Å; F33-H292 AromaticContact CD1-CE1 3.74Å; F33-H292 AromaticContact CD1-CG 3.51Å; F33-H292 AromaticContact CD1-ND1 3.63Å; F33-H292 AromaticContact CD1-NE2 3.71Å; F33-H292 HydrophobicContact CE1-CB 4.27Å; F33-H292 AromaticContact CE1-CD2 3.46Å; F33-H292 VanDerWaalsContact CE1-CD2 3.46Å; F33-H292 WeakPolarHBondContact CE1-CD2 3.46Å; F33-H292 AromaticContact CE1-CG 3.78Å; F33-H292 AromaticContact CE1-NE2 3.89Å; F33-H292 AromaticContact CG-CE1 3.9Å; Q35-H292 HydrophobicContact CG-CB 4.08Å; Q35-H292 PolarHBondContact NE2-O 3.27Å; N290-H292 PolarHBondContact O-N 3.43Å; N290-H292 PolarHBondContact OD1-N 3.4Å
293	G	96.3	Very high	97.7	Very high	24 Å²	24	53 Å²	53	25%	0.247	27%	0.271	C	S	.	.			trans	81.3	35.5	172.9	0	0	0	0	0	115	N290 P333	N290-G293 PolarHBondContact O-N 2.97Å; N290-G293 VanDerWaalsContact O-N 3.14Å; N290-G293 PolarHBondContact OD1-N 3.08Å; N290-G293 VanDerWaalsContact OD1-N 3.11Å; G293-P333 VanDerWaalsContact O-CD 3.29Å; G293-P333 WeakPolarHBondContact O-CD 3.34Å; G293-P333 VanDerWaalsContact O-CG 3.23Å; G293-P333 WeakPolarHBondContact O-CG 3.45Å
294	R	97.7	Very high	97.7	Very high	55 Å²	55	55.5 Å²	55.5	21%	0.208	28%	0.28	C	S	.	.			trans	-66.9	149.1	173.9	73.4	180	180	-174.1	0.9	110.6	T288 N290	T288-R294 VanDerWaalsContact O-CZ 3.26Å; T288-R294 PolarHBondContact O-NE 3.07Å; T288-R294 PolarHBondContact O-NH2 3.27Å; T288-R294 PolarHBondContact OG1-NH2 2.77Å; N290-R294 HydrophobicContact CB-CG 4.32Å; N290-R294 WeakPolarHBondContact ND2-CD 3.26Å; N290-R294 WeakPolarHBondContact OD1-CG 3.17Å; N290-R294 PolarHBondContact OD1-N 3.02Å; N290-R294 VanDerWaalsContact OD1-N 3.08Å
295	A	98.7	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.			trans	-66.2	150.3	167.2	0	0	0	0	0	110.6	I37 L38 L285 I330 R331 L332	I37-A295 HydrophobicContact CG2-CB 4.34Å; I37-A295 WeakPolarHBondContact O-CA 3.37Å; I37-A295 WeakPolarHBondContact O-CB 3.45Å; I37-A295 PolarHBondContact O-N 2.9Å; L38-A295 HydrophobicContact CD2-CB 3.78Å; L285-A295 HydrophobicContact CD1-CB 4.27Å; L285-A295 HydrophobicContact CD2-CB 4.23Å; A295-I330 HydrophobicContact CB-CG2 4.32Å; A295-R331 VanDerWaalsContact CA-O 3.3Å; A295-R331 WeakPolarHBondContact CA-O 3.44Å; A295-L332 HydrophobicContact CB-CD2 3.51Å
296	F	98.8	Very high	97.8	Very high	39 Å²	39	55.3 Å²	55.3	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.1	171.7	68.4	-89.6	0	0	0	111.4	P286 T288 G289 D298 I330 R331	P286-F296 CarbonylContact O-C 3.54Å; P286-F296 WeakPolarHBondContact O-CA 2.99Å; P286-F296 WeakPolarHBondContact O-CB 3.05Å; T288-F296 VanDerWaalsContact C-CB 3.46Å; T288-F296 WeakPolarHBondContact O-CB 3.47Å; G289-F296 VanDerWaalsContact CA-CD1 3.48Å; G289-F296 VanDerWaalsContact N-CD1 3.33Å; F296-D298 HydrophobicContact CD2-CB 4.28Å; F296-D298 HydrophobicContact CE2-CB 3.89Å; F296-I330 WeakPolarHBondContact O-CA 3.31Å; F296-R331 HydrophobicContact CD1-CB 3.93Å; F296-R331 HydrophobicContact CD1-CG 4.26Å; F296-R331 HydrophobicContact CD2-CB 4.35Å; F296-R331 HydrophobicContact CE1-CB 3.45Å; F296-R331 VanDerWaalsContact CE1-CB 3.45Å; F296-R331 HydrophobicContact CE1-CG 3.41Å; F296-R331 VanDerWaalsContact CE1-CG 3.41Å; F296-R331 HydrophobicContact CE2-CB 3.91Å; F296-R331 HydrophobicContact CE2-CG 4.47Å; F296-R331 HydrophobicContact CG-CB 4.37Å; F296-R331 HydrophobicContact CZ-CB 3.44Å; F296-R331 VanDerWaalsContact CZ-CB 3.44Å; F296-R331 HydrophobicContact CZ-CG 3.54Å; F296-R331 PolarHBondContact N-O 2.9Å; F296-R331 VanDerWaalsContact N-O 3.16Å; F296-R331 PolarHBondContact O-N 2.81Å
297	R	98.7	Very high	97.8	Very high	34 Å²	34	58.6 Å²	58.6	13%	0.128	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.5	174.5	-178	-179.8	169.3	-164.7	-5.9	109.5	D283 L285 P286 S287 R299 E302 R328 V329 I330	D283-R297 PolarHBondContact O-NH1 3.16Å; L285-R297 HydrophobicContact CB-CB 4.1Å; P286-R297 PolarHBondContact O-N 3Å; S287-R297 WeakPolarHBondContact CA-O 3.45Å; R297-R299 PolarHBondContact O-N 2.66Å; R297-E302 WeakPolarHBondContact CD-OE1 3.44Å; R297-E302 WeakPolarHBondContact CG-OE1 3.31Å; R297-E302 IonicContact CZ-OE1 2.66Å; R297-E302 IonicContact CZ-OE2 3.7Å; R297-E302 VanDerWaalsContact CZ-OE2 3.3Å; R297-E302 VanDerWaalsContact NE-CD 3.31Å; R297-E302 IonicContact NE-OE1 3.77Å; R297-E302 PolarHBondContact NE-OE1 3.01Å; R297-E302 IonicContact NE-OE2 2.77Å; R297-E302 PolarHBondContact NE-OE2 3.43Å; R297-E302 IonicContact NH2-OE1 2.84Å; R297-E302 IonicContact NH2-OE2 3.77Å; R297-E302 PolarHBondContact NH2-OE2 2.93Å; R297-R328 VanDerWaalsContact NH2-CZ 3.29Å; R297-V329 CarbonylContact C-O 3.58Å; R297-V329 WeakPolarHBondContact CA-O 3.47Å; R297-I330 HydrophobicContact CB-CD1 3.99Å; R297-I330 HydrophobicContact CG-CD1 4.12Å
298	D	98.6	Very high	97.8	Very high	47 Å²	47	58.2 Å²	58.2	25%	0.251	29%	0.288	S	S	.	.			trans	-88.6	93.1	-176.3	-165.2	-41.5	0	0	0	110.6	F296 E300 A301 E302 V329	F296-D298 HydrophobicContact CD2-CB 4.28Å; F296-D298 HydrophobicContact CE2-CB 3.89Å; D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 2.78Å; D298-E300 PolarHBondContact OD1-N 2.96Å; D298-A301 HydrophobicContact CB-CB 3.95Å; D298-A301 PolarHBondContact O-N 2.77Å; D298-A301 WeakPolarHBondContact OD1-CB 3.19Å; D298-A301 PolarHBondContact OD1-N 3.42Å; D298-E302 WeakPolarHBondContact O-CG 3.34Å; D298-E302 PolarHBondContact O-N 3.04Å; D298-V329 HydrophobicContact CB-CB 4.31Å; D298-V329 HydrophobicContact CB-CG1 4.18Å; D298-V329 PolarHBondContact N-O 2.84Å
299	R	98.2	Very high	97.8	Very high	120 Å²	120	54.4 Å²	54.4	45%	0.453	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-33.9	-176.5	-64.7	-177.4	179.8	132.3	2.8	112.8	R297 E302 E303	R297-R299 PolarHBondContact O-N 2.66Å; R299-E302 WeakPolarHBondContact O-CB 3.43Å; R299-E302 PolarHBondContact O-N 3.37Å; R299-E303 WeakPolarHBondContact O-CG 3.21Å; R299-E303 PolarHBondContact O-N 3.26Å; R299-E303 VanDerWaalsContact O-N 3.1Å
300	E	98.1	Very high	97.8	Very high	116 Å²	116	56.6 Å²	56.6	54%	0.542	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-43	177.5	-171.6	-170.3	154	0	0	110.6	D298 E303 K304	D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 2.78Å; D298-E300 PolarHBondContact OD1-N 2.96Å; E300-E303 PolarHBondContact O-N 3.48Å; E300-K304 HydrophobicContact CG-CD 4.35Å; E300-K304 WeakPolarHBondContact O-CG 3.25Å; E300-K304 PolarHBondContact O-N 2.96Å; E300-K304 VanDerWaalsContact O-N 3.08Å; E300-K304 WeakPolarHBondContact OE1-CE 3.24Å; E300-K304 IonicContact OE1-NZ 2.58Å; E300-K304 PolarHBondContact OE1-NZ 2.99Å
301	A	98.5	Very high	97.7	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-36.3	174	0	0	0	0	0	112.2	D298 K304 I305 V329	D298-A301 HydrophobicContact CB-CB 3.95Å; D298-A301 PolarHBondContact O-N 2.77Å; D298-A301 WeakPolarHBondContact OD1-CB 3.19Å; D298-A301 PolarHBondContact OD1-N 3.42Å; A301-K304 PolarHBondContact O-N 3.09Å; A301-I305 WeakPolarHBondContact O-CB 3.35Å; A301-I305 WeakPolarHBondContact O-CG1 3.49Å; A301-I305 PolarHBondContact O-N 3.46Å; A301-V329 HydrophobicContact CB-CB 4.14Å; A301-V329 HydrophobicContact CB-CG1 3.93Å; A301-V329 HydrophobicContact CB-CG2 4.05Å
302	E	98.8	Very high	97.7	Very high	14 Å²	14	55 Å²	55	7%	0.065	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-49.5	173.9	-76	174.2	-174.4	0	0	111.9	R297 D298 R299 I305 L306 V327 R328 V329	R297-E302 WeakPolarHBondContact CD-OE1 3.44Å; R297-E302 WeakPolarHBondContact CG-OE1 3.31Å; R297-E302 IonicContact CZ-OE1 2.66Å; R297-E302 IonicContact CZ-OE2 3.7Å; R297-E302 VanDerWaalsContact CZ-OE2 3.3Å; R297-E302 VanDerWaalsContact NE-CD 3.31Å; R297-E302 IonicContact NE-OE1 3.77Å; R297-E302 PolarHBondContact NE-OE1 3.01Å; R297-E302 IonicContact NE-OE2 2.77Å; R297-E302 PolarHBondContact NE-OE2 3.43Å; R297-E302 IonicContact NH2-OE1 2.84Å; R297-E302 IonicContact NH2-OE2 3.77Å; R297-E302 PolarHBondContact NH2-OE2 2.93Å; D298-E302 WeakPolarHBondContact O-CG 3.34Å; D298-E302 PolarHBondContact O-N 3.04Å; R299-E302 WeakPolarHBondContact O-CB 3.43Å; R299-E302 PolarHBondContact O-N 3.37Å; E302-I305 PolarHBondContact O-N 3.45Å; E302-L306 VanDerWaalsContact O-CB 3.25Å; E302-L306 WeakPolarHBondContact O-CB 3.36Å; E302-L306 PolarHBondContact O-N 3.16Å; E302-V327 HydrophobicContact CB-CB 4.47Å; E302-V327 VanDerWaalsContact CD-O 3.3Å; E302-V327 HydrophobicContact CG-CG1 4.47Å; E302-V327 WeakPolarHBondContact CG-O 3.23Å; E302-R328 VanDerWaalsContact OE1-CA 3.26Å; E302-R328 WeakPolarHBondContact OE1-CA 3.33Å; E302-R328 WeakPolarHBondContact OE1-CD 3.35Å; E302-V329 HydrophobicContact CB-CG2 4.41Å; E302-V329 HydrophobicContact CG-CB 3.95Å; E302-V329 HydrophobicContact CG-CG2 3.71Å; E302-V329 VanDerWaalsContact CG-N 3.32Å; E302-V329 PolarHBondContact OE1-N 3.13Å
303	E	98.5	Very high	97.7	Very high	138 Å²	138	52.2 Å²	52.2	65%	0.645	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-46.7	178.5	-71.6	172.9	-171.9	0	0	111.8	R299 E300 I305 L306 E307	R299-E303 WeakPolarHBondContact O-CG 3.21Å; R299-E303 PolarHBondContact O-N 3.26Å; R299-E303 VanDerWaalsContact O-N 3.1Å; E300-E303 PolarHBondContact O-N 3.48Å; E303-I305 PolarHBondContact O-N 3.46Å; E303-L306 PolarHBondContact O-N 2.9Å; E303-E307 WeakPolarHBondContact O-CB 3.26Å; E303-E307 PolarHBondContact O-N 2.94Å
304	K	98.1	Very high	97.7	Very high	88 Å²	88	51.3 Å²	51.3	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-44.3	178.3	-75.6	173.7	174.3	175.1	0	112.2	Y238 E300 A301 E307 L308	Y238-K304 HydrophobicContact CD1-CB 4.4Å; Y238-K304 HydrophobicContact CE1-CB 3.77Å; Y238-K304 HydrophobicContact CE1-CD 4.12Å; Y238-K304 HydrophobicContact CE2-CD 3.92Å; Y238-K304 VanDerWaalsContact OH-CD 3.3Å; Y238-K304 WeakPolarHBondContact OH-CD 3.41Å; E300-K304 HydrophobicContact CG-CD 4.35Å; E300-K304 WeakPolarHBondContact O-CG 3.25Å; E300-K304 PolarHBondContact O-N 2.96Å; E300-K304 VanDerWaalsContact O-N 3.08Å; E300-K304 WeakPolarHBondContact OE1-CE 3.24Å; E300-K304 IonicContact OE1-NZ 2.58Å; E300-K304 PolarHBondContact OE1-NZ 2.99Å; A301-K304 PolarHBondContact O-N 3.09Å; K304-E307 PolarHBondContact O-N 3.29Å; K304-L308 WeakPolarHBondContact O-CG 3.28Å; K304-L308 PolarHBondContact O-N 3.41Å; K304-L308 VanDerWaalsContact O-N 3.08Å
305	I	98.5	Very high	97.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-41	179.2	-66.2	171.8	0	0	0	110.6	Y238 V241 I245 L258 V260 A301 E302 E303 E307 L308 T309 V327 V329	Y238-I305 HydrophobicContact CD1-CG1 4.23Å; Y238-I305 HydrophobicContact CE1-CG1 4.11Å; V241-I305 HydrophobicContact CG1-CD1 3.94Å; V241-I305 HydrophobicContact CG1-CG1 3.9Å; V241-I305 HydrophobicContact CG1-CG2 3.85Å; V241-I305 HydrophobicContact CG2-CD1 4.37Å; I245-I305 HydrophobicContact CD1-CG2 3.61Å; L258-I305 HydrophobicContact CD2-CG2 3.89Å; V260-I305 HydrophobicContact CG2-CD1 4.29Å; A301-I305 WeakPolarHBondContact O-CB 3.35Å; A301-I305 WeakPolarHBondContact O-CG1 3.49Å; A301-I305 PolarHBondContact O-N 3.46Å; E302-I305 PolarHBondContact O-N 3.45Å; E303-I305 PolarHBondContact O-N 3.46Å; I305-E307 VanDerWaalsContact C-N 3.25Å; I305-E307 PolarHBondContact O-N 3.06Å; I305-L308 WeakPolarHBondContact O-CB 3.43Å; I305-L308 PolarHBondContact O-N 3.45Å; I305-L308 VanDerWaalsContact O-N 3.1Å; I305-T309 HydrophobicContact CG2-CG2 4.45Å; I305-T309 VanDerWaalsContact O-CG2 3.28Å; I305-T309 WeakPolarHBondContact O-CG2 3.25Å; I305-T309 PolarHBondContact O-N 3.45Å; I305-V327 HydrophobicContact CB-CG1 4.16Å; I305-V327 HydrophobicContact CG2-CG1 3.93Å; I305-V327 HydrophobicContact CG2-CG2 4.18Å; I305-V329 HydrophobicContact CD1-CG2 3.61Å
306	L	98.6	Very high	97.7	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.147	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-43.4	174.7	179.9	59.4	0	0	0	110.7	E302 E303 L308 T309 R310 C324 V327	E302-L306 VanDerWaalsContact O-CB 3.25Å; E302-L306 WeakPolarHBondContact O-CB 3.36Å; E302-L306 PolarHBondContact O-N 3.16Å; E303-L306 PolarHBondContact O-N 2.9Å; L306-L308 PolarHBondContact O-N 3.48Å; L306-T309 PolarHBondContact O-N 3.36Å; L306-T309 VanDerWaalsContact O-N 3.11Å; L306-T309 PolarHBondContact O-OG1 3.21Å; L306-R310 WeakPolarHBondContact O-CG 3.49Å; L306-R310 PolarHBondContact O-N 2.82Å; L306-C324 HydrophobicContact CD1-CB 4.3Å; L306-V327 HydrophobicContact CB-CG2 3.81Å; L306-V327 HydrophobicContact CD1-CG2 4.19Å
307	E	98	Very high	97.6	Very high	72 Å²	72	47 Å²	47	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-39.5	176.1	-175.1	60.2	-168.5	0	0	112.7	E303 K304 I305 T309 R310 K311	E303-E307 WeakPolarHBondContact O-CB 3.26Å; E303-E307 PolarHBondContact O-N 2.94Å; K304-E307 PolarHBondContact O-N 3.29Å; I305-E307 VanDerWaalsContact C-N 3.25Å; I305-E307 PolarHBondContact O-N 3.06Å; E307-T309 VanDerWaalsContact C-N 3.32Å; E307-T309 PolarHBondContact O-N 3.21Å; E307-R310 PolarHBondContact O-N 2.72Å; E307-K311 HydrophobicContact CG-CD 4.29Å; E307-K311 WeakPolarHBondContact O-CG 3.34Å; E307-K311 PolarHBondContact O-N 3.24Å; E307-K311 WeakPolarHBondContact OE1-CE 3.45Å; E307-K311 IonicContact OE1-NZ 3.77Å; E307-K311 PolarHBondContact OE1-NZ 3.43Å
308	L	97.1	Very high	97.5	Very high	43 Å²	43	45.8 Å²	45.8	23%	0.225	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-43.2	171.1	-67.3	171	0	0	0	111.3	Y238 N242 K304 I305 L306 R310 K311 V312	Y238-L308 HydrophobicContact CD1-CD1 4.29Å; N242-L308 HydrophobicContact CB-CD1 4.26Å; N242-L308 HydrophobicContact CB-CD2 4.46Å; K304-L308 WeakPolarHBondContact O-CG 3.28Å; K304-L308 PolarHBondContact O-N 3.41Å; K304-L308 VanDerWaalsContact O-N 3.08Å; I305-L308 WeakPolarHBondContact O-CB 3.43Å; I305-L308 PolarHBondContact O-N 3.45Å; I305-L308 VanDerWaalsContact O-N 3.1Å; L306-L308 PolarHBondContact O-N 3.48Å; L308-R310 VanDerWaalsContact C-N 3.27Å; L308-R310 PolarHBondContact O-N 3.33Å; L308-K311 PolarHBondContact O-N 3.26Å; L308-V312 PolarHBondContact O-N 3.28Å
309	T	97.6	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-26.7	178.6	72.3	0	0	0	0	113.7	I245 L258 I305 L306 E307 V312 C324	I245-T309 HydrophobicContact CD1-CG2 3.86Å; I245-T309 HydrophobicContact CG2-CG2 4.07Å; L258-T309 HydrophobicContact CD2-CG2 4.05Å; I305-T309 HydrophobicContact CG2-CG2 4.45Å; I305-T309 VanDerWaalsContact O-CG2 3.28Å; I305-T309 WeakPolarHBondContact O-CG2 3.25Å; I305-T309 PolarHBondContact O-N 3.45Å; L306-T309 PolarHBondContact O-N 3.36Å; L306-T309 VanDerWaalsContact O-N 3.11Å; L306-T309 PolarHBondContact O-OG1 3.21Å; E307-T309 VanDerWaalsContact C-N 3.32Å; E307-T309 PolarHBondContact O-N 3.21Å; T309-V312 WeakPolarHBondContact O-CG1 3.33Å; T309-C324 HydrophobicContact CG2-CB 4.38Å
310	R	97.3	Very high	97.3	Very high	82 Å²	82	39.3 Å²	39.3	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-77.6	-38.1	175.7	-71.4	171.6	174.9	174.7	-1.1	111.9	L306 E307 L308 K321	L306-R310 WeakPolarHBondContact O-CG 3.49Å; L306-R310 PolarHBondContact O-N 2.82Å; E307-R310 PolarHBondContact O-N 2.72Å; L308-R310 VanDerWaalsContact C-N 3.27Å; L308-R310 PolarHBondContact O-N 3.33Å; R310-K321 WeakPolarHBondContact CA-O 3.24Å; R310-K321 HydrophobicContact CB-CG 4.04Å; R310-K321 HydrophobicContact CG-CG 3.9Å
311	K	95.9	Very high	97.3	Very high	151 Å²	151	35.2 Å²	35.2	66%	0.657	18%	0.175	S	C	*	.	H	α-helix	trans	-75.9	-21.5	178.6	-75	175.6	172.5	145.7	0	114.2	E307 L308 G313	E307-K311 HydrophobicContact CG-CD 4.29Å; E307-K311 WeakPolarHBondContact O-CG 3.34Å; E307-K311 PolarHBondContact O-N 3.24Å; E307-K311 WeakPolarHBondContact OE1-CE 3.45Å; E307-K311 IonicContact OE1-NZ 3.77Å; E307-K311 PolarHBondContact OE1-NZ 3.43Å; L308-K311 PolarHBondContact O-N 3.26Å; K311-G313 PolarHBondContact O-N 3.38Å
312	V	94.4	Very high	97.3	Very high	17 Å²	17	36.1 Å²	36.1	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.4	-177.7	79.1	0	0	0	0	112.3	K246 L308 T309 I314 F323 W567	K246-V312 HydrophobicContact CD-CG2 4.4Å; K246-V312 HydrophobicContact CG-CG2 3.81Å; L308-V312 PolarHBondContact O-N 3.28Å; T309-V312 WeakPolarHBondContact O-CG1 3.33Å; V312-I314 HydrophobicContact CG1-CB 4.02Å; V312-I314 HydrophobicContact CG1-CD1 3.99Å; V312-I314 HydrophobicContact CG1-CG1 3.92Å; V312-I314 HydrophobicContact CG2-CD1 3.88Å; V312-I314 HydrophobicContact CG2-CG1 4.16Å; V312-F323 HydrophobicContact CG1-CB 4.41Å; V312-F323 HydrophobicContact CG1-CD1 4.4Å; V312-F323 HydrophobicContact CG1-CG 4.48Å; V312-W567 PolarHBondContact O-NE1 3.05Å
313	G	95.4	Very high	97.3	Very high	24 Å²	24	35.4 Å²	35.4	25%	0.247	18%	0.175	C	C	.	.			trans	85.7	-4.1	176	0	0	0	0	0	115.8	K311 G315 G319 G320 W567	K311-G313 PolarHBondContact O-N 3.38Å; G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.83Å; G313-G319 WeakPolarHBondContact O-CA 3.42Å; G313-G320 CarbonylContact C-O 3.43Å; G313-G320 VanDerWaalsContact C-O 3.26Å; G313-G320 WeakPolarHBondContact CA-O 3.2Å; G313-G320 PolarHBondContact O-N 3.44Å; G313-W567 WeakPolarHBondContact O-CZ2 3.49Å
314	I	96.8	Very high	97.3	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-64.4	-33.6	179.6	-63.8	168	0	0	0	111.9	T250 V312 G319 F323 W567	T250-I314 HydrophobicContact CG2-CG2 3.39Å; V312-I314 HydrophobicContact CG1-CB 4.02Å; V312-I314 HydrophobicContact CG1-CD1 3.99Å; V312-I314 HydrophobicContact CG1-CG1 3.92Å; V312-I314 HydrophobicContact CG2-CD1 3.88Å; V312-I314 HydrophobicContact CG2-CG1 4.16Å; I314-G319 WeakPolarHBondContact O-CA 3.35Å; I314-G319 PolarHBondContact O-N 2.64Å; I314-F323 HydrophobicContact CB-CD2 3.87Å; I314-F323 HydrophobicContact CB-CE2 4.16Å; I314-F323 HydrophobicContact CB-CG 4.32Å; I314-F323 HydrophobicContact CD1-CE2 4.31Å; I314-F323 HydrophobicContact CD1-CZ 4.23Å; I314-F323 HydrophobicContact CG2-CD2 3.55Å; I314-F323 HydrophobicContact CG2-CE2 3.53Å; I314-F323 HydrophobicContact CG2-CG 4.47Å; I314-F323 HydrophobicContact CG2-CZ 4.44Å; I314-W567 HydrophobicContact CD1-CB 4.09Å; I314-W567 HydrophobicContact CD1-CG 4.22Å; I314-W567 HydrophobicContact CG1-CB 3.86Å; I314-W567 HydrophobicContact CG1-CD2 3.72Å; I314-W567 HydrophobicContact CG1-CE3 4.3Å; I314-W567 HydrophobicContact CG1-CG 3.49Å; I314-W567 VanDerWaalsContact CG1-CG 3.49Å
315	G	97.8	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-167.4	177.8	0	0	0	0	0	115.7	D112 G313 Q317 G320 Y322 F323	D112-G315 WeakPolarHBondContact OD1-CA 3.46Å; G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.83Å; G315-Q317 PolarHBondContact O-N 3.39Å; G315-G320 VanDerWaalsContact CA-O 3.23Å; G315-G320 WeakPolarHBondContact CA-O 3.29Å; G315-G320 PolarHBondContact N-O 3.48Å; G315-G320 VanDerWaalsContact N-O 3.1Å; G315-Y322 CarbonylContact C-O 3.47Å; G315-F323 WeakPolarHBondContact O-CA 2.98Å
316	A	98	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	82.1	171.6	0	0	0	0	0	108.8	D112 V115 P255 F318 Y322	D112-A316 HydrophobicContact CB-CB 4.48Å; D112-A316 WeakPolarHBondContact OD1-CB 3.22Å; D112-A316 PolarHBondContact OD1-N 3.15Å; V115-A316 HydrophobicContact CB-CB 4.23Å; V115-A316 HydrophobicContact CG1-CB 4.08Å; V115-A316 WeakPolarHBondContact CG2-O 3.48Å; P255-A316 HydrophobicContact CG-CB 3.83Å; A316-F318 PolarHBondContact O-N 2.83Å; A316-Y322 WeakPolarHBondContact CA-O 3.42Å; A316-Y322 PolarHBondContact N-O 3.39Å
317	Q	97.9	Very high	97.4	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.023	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-40.5	174.8	-49.6	-175.8	26.5	0	0	116.1	V115 T250 P254 G315 G515 F564	V115-Q317 HydrophobicContact CG1-CG 4.23Å; V115-Q317 HydrophobicContact CG2-CB 4.49Å; T250-Q317 WeakPolarHBondContact CG2-O 3.22Å; P254-Q317 HydrophobicContact CG-CB 4.48Å; P254-Q317 HydrophobicContact CG-CG 3.74Å; P254-Q317 WeakPolarHBondContact O-CG 3.39Å; P254-Q317 PolarHBondContact O-NE2 3.45Å; P254-Q317 VanDerWaalsContact O-NE2 3.11Å; G315-Q317 PolarHBondContact O-N 3.39Å; Q317-G515 PolarHBondContact NE2-O 3.33Å; Q317-F564 VanDerWaalsContact O-CE1 3.26Å; Q317-F564 WeakPolarHBondContact O-CE1 3.42Å; Q317-F564 WeakPolarHBondContact O-CZ 3.48Å
318	F	96.6	Very high	97.4	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.035	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	49.6	-171.2	-60.3	-76.9	0	0	0	112.8	N111 V115 A316 G512 I514 F553 V555 F563 F564	N111-F318 HydrophobicContact CB-CB 4.11Å; N111-F318 WeakPolarHBondContact CB-O 3.2Å; N111-F318 PolarHBondContact ND2-O 3.34Å; V115-F318 HydrophobicContact CG2-CD2 4.01Å; A316-F318 PolarHBondContact O-N 2.83Å; F318-G512 WeakPolarHBondContact CZ-O 3.41Å; F318-I514 HydrophobicContact CE2-CG1 4.08Å; F318-F553 HydrophobicContact CD1-CB 4.12Å; F318-F553 AromaticContact CD1-CD2 3.8Å; F318-F553 HydrophobicContact CD1-CD2 3.8Å; F318-F553 HydrophobicContact CD1-CE2 4.37Å; F318-F553 AromaticContact CD1-CG 3.94Å; F318-F553 HydrophobicContact CD1-CG 3.94Å; F318-F553 AromaticContact CD2-CD2 3.87Å; F318-F553 HydrophobicContact CD2-CD2 3.87Å; F318-F553 AromaticContact CD2-CE2 3.7Å; F318-F553 HydrophobicContact CD2-CE2 3.7Å; F318-F553 HydrophobicContact CD2-CZ 4.38Å; F318-F553 HydrophobicContact CE1-CB 3.93Å; F318-F553 AromaticContact CE1-CD2 3.65Å; F318-F553 HydrophobicContact CE1-CD2 3.65Å; F318-F553 HydrophobicContact CE1-CE2 4.45Å; F318-F553 AromaticContact CE1-CG 4Å; F318-F553 HydrophobicContact CE1-CG 4Å; F318-F553 AromaticContact CE2-CD2 3.74Å; F318-F553 HydrophobicContact CE2-CD2 3.74Å; F318-F553 AromaticContact CE2-CE2 3.81Å; F318-F553 HydrophobicContact CE2-CE2 3.81Å; F318-F553 AromaticContact CG-CD2 3.91Å; F318-F553 HydrophobicContact CG-CD2 3.91Å; F318-F553 HydrophobicContact CG-CE2 4Å; F318-F553 HydrophobicContact CG-CG 4.3Å; F318-F553 HydrophobicContact CG-CZ 4.44Å; F318-F553 AromaticContact CZ-CD2 3.62Å; F318-F553 HydrophobicContact CZ-CD2 3.62Å; F318-F553 HydrophobicContact CZ-CE2 4.19Å; F318-F553 HydrophobicContact CZ-CG 4.42Å; F318-V555 HydrophobicContact CE1-CG2 4.21Å; F318-F563 HydrophobicContact CB-CE2 4.4Å; F318-F563 HydrophobicContact CB-CZ 4.07Å; F318-F563 HydrophobicContact CD1-CE2 4.48Å; F318-F563 WeakPolarHBondContact O-CZ 3.43Å; F318-F564 HydrophobicContact CD1-CZ 4.48Å
319	G	95.1	Very high	97.5	Very high	13 Å²	13	21.3 Å²	21.3	13%	0.134	11%	0.109	C	C	.	.	S	Bend	trans	79.9	131.8	174.3	0	0	0	0	0	113.4	S109 G313 I314	S109-G319 PolarHBondContact OG-O 2.82Å; G313-G319 WeakPolarHBondContact O-CA 3.42Å; I314-G319 WeakPolarHBondContact O-CA 3.35Å; I314-G319 PolarHBondContact O-N 2.64Å
320	G	97.1	Very high	97.6	Very high	18 Å²	18	21.4 Å²	21.4	19%	0.186	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	146.7	-161.5	-178	0	0	0	0	0	114	D112 G313 G315	D112-G320 WeakPolarHBondContact OD2-CA 3.31Å; G313-G320 CarbonylContact C-O 3.43Å; G313-G320 VanDerWaalsContact C-O 3.26Å; G313-G320 WeakPolarHBondContact CA-O 3.2Å; G313-G320 PolarHBondContact O-N 3.44Å; G315-G320 VanDerWaalsContact CA-O 3.23Å; G315-G320 WeakPolarHBondContact CA-O 3.29Å; G315-G320 PolarHBondContact N-O 3.48Å; G315-G320 VanDerWaalsContact N-O 3.1Å
321	K	98	Very high	97.6	Very high	30 Å²	30	20.3 Å²	20.3	13%	0.13	11%	0.105	C	C	.	.	S	Bend	trans	-88.9	-33.3	-175.1	178.3	178	176.2	-179.7	0	112.3	D105 E107 D112 R310 F323	D105-K321 IonicContact OD1-NZ 3.82Å; D105-K321 WeakPolarHBondContact OD2-CD 3.23Å; D105-K321 WeakPolarHBondContact OD2-CE 3.2Å; D105-K321 IonicContact OD2-NZ 2.82Å; D105-K321 PolarHBondContact OD2-NZ 2.78Å; E107-K321 HydrophobicContact CB-CD 3.91Å; E107-K321 IonicContact OE2-NZ 2.93Å; E107-K321 PolarHBondContact OE2-NZ 2.87Å; D112-K321 PolarHBondContact OD2-N 2.79Å; R310-K321 WeakPolarHBondContact CA-O 3.24Å; R310-K321 HydrophobicContact CB-CG 4.04Å; R310-K321 HydrophobicContact CG-CG 3.9Å; K321-F323 VanDerWaalsContact C-N 3.34Å; K321-F323 PolarHBondContact O-N 3.39Å
322	Y	98.5	Very high	97.8	Very high	21 Å²	21	13.3 Å²	13.3	8%	0.082	8%	0.075	C	C	.	.			trans	-91.6	55.6	-164.7	-78.2	-84.5	0	0	0	114.4	I102 D105 A108 D112 P255 G315 A316 C324	I102-Y322 HydrophobicContact CB-CD2 4.33Å; I102-Y322 HydrophobicContact CB-CE2 4.3Å; I102-Y322 HydrophobicContact CB-CG 4.44Å; I102-Y322 HydrophobicContact CD1-CD1 3.78Å; I102-Y322 HydrophobicContact CD1-CD2 4.49Å; I102-Y322 HydrophobicContact CD1-CE1 4.37Å; I102-Y322 HydrophobicContact CD1-CG 3.79Å; I102-Y322 HydrophobicContact CG1-CD1 3.51Å; I102-Y322 HydrophobicContact CG1-CD2 4Å; I102-Y322 HydrophobicContact CG1-CE1 3.61Å; I102-Y322 HydrophobicContact CG1-CE2 4.12Å; I102-Y322 HydrophobicContact CG1-CG 3.66Å; I102-Y322 HydrophobicContact CG2-CD2 3.78Å; I102-Y322 HydrophobicContact CG2-CE2 4.06Å; I102-Y322 HydrophobicContact CG2-CG 4.13Å; D105-Y322 HydrophobicContact CB-CE2 3.98Å; D105-Y322 VanDerWaalsContact CB-OH 3.27Å; D105-Y322 WeakPolarHBondContact CB-OH 3.48Å; D105-Y322 VanDerWaalsContact OD2-CE2 3.3Å; D105-Y322 WeakPolarHBondContact OD2-CE2 3.19Å; D105-Y322 PolarHBondContact OD2-OH 3.2Å; A108-Y322 HydrophobicContact CB-CD2 3.97Å; A108-Y322 HydrophobicContact CB-CE2 3.76Å; D112-Y322 HydrophobicContact CB-CD2 4.34Å; D112-Y322 PolarHBondContact OD2-N 3.21Å; P255-Y322 WeakPolarHBondContact CB-O 3.41Å; G315-Y322 CarbonylContact C-O 3.47Å; A316-Y322 WeakPolarHBondContact CA-O 3.42Å; A316-Y322 PolarHBondContact N-O 3.39Å; Y322-C324 VanDerWaalsContact C-N 3.3Å
323	F	98.4	Very high	98	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-66.8	-35.3	171.1	-169.7	-126.7	0	0	0	112.2	I245 L248 G249 P254 P255 Y256 V312 I314 G315 K321	I245-F323 HydrophobicContact CG2-CD1 3.92Å; I245-F323 HydrophobicContact CG2-CE1 3.5Å; L248-F323 HydrophobicContact CB-CZ 4.26Å; G249-F323 VanDerWaalsContact O-CE2 3.3Å; G249-F323 WeakPolarHBondContact O-CE2 3.41Å; G249-F323 WeakPolarHBondContact O-CZ 3.27Å; P254-F323 HydrophobicContact CB-CD2 4.06Å; P254-F323 HydrophobicContact CB-CE2 4.32Å; P254-F323 WeakPolarHBondContact CB-O 3.49Å; P254-F323 HydrophobicContact CG-CD2 4.27Å; P254-F323 HydrophobicContact CG-CE2 4.29Å; P255-F323 WeakPolarHBondContact CA-O 3.43Å; Y256-F323 HydrophobicContact CD2-CD2 4.38Å; Y256-F323 HydrophobicContact CD2-CE1 4.18Å; Y256-F323 HydrophobicContact CD2-CE2 4.03Å; Y256-F323 AromaticContact CD2-CZ 3.94Å; Y256-F323 HydrophobicContact CD2-CZ 3.94Å; Y256-F323 WeakPolarHBondContact CD2-O 3.43Å; Y256-F323 HydrophobicContact CE2-CD2 4.21Å; Y256-F323 HydrophobicContact CE2-CE1 4.17Å; Y256-F323 AromaticContact CE2-CE2 3.49Å; Y256-F323 HydrophobicContact CE2-CE2 3.49Å; Y256-F323 VanDerWaalsContact CE2-CE2 3.49Å; Y256-F323 AromaticContact CE2-CZ 3.49Å; Y256-F323 HydrophobicContact CE2-CZ 3.49Å; Y256-F323 VanDerWaalsContact CE2-CZ 3.49Å; Y256-F323 PolarHBondContact N-O 3.45Å; V312-F323 HydrophobicContact CG1-CB 4.41Å; V312-F323 HydrophobicContact CG1-CD1 4.4Å; V312-F323 HydrophobicContact CG1-CG 4.48Å; I314-F323 HydrophobicContact CB-CD2 3.87Å; I314-F323 HydrophobicContact CB-CE2 4.16Å; I314-F323 HydrophobicContact CB-CG 4.32Å; I314-F323 HydrophobicContact CD1-CE2 4.31Å; I314-F323 HydrophobicContact CD1-CZ 4.23Å; I314-F323 HydrophobicContact CG2-CD2 3.55Å; I314-F323 HydrophobicContact CG2-CE2 3.53Å; I314-F323 HydrophobicContact CG2-CG 4.47Å; I314-F323 HydrophobicContact CG2-CZ 4.44Å; G315-F323 WeakPolarHBondContact O-CA 2.98Å; K321-F323 VanDerWaalsContact C-N 3.34Å; K321-F323 PolarHBondContact O-N 3.39Å
324	C	98.7	Very high	98.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.014	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.4	176.2	-65.3	0	0	0	0	110.6	Y256 L306 T309 Y322	Y256-C324 CarbonylContact O-C 3.5Å; Y256-C324 VanDerWaalsContact O-CA 3.26Å; Y256-C324 WeakPolarHBondContact O-CA 3.42Å; L306-C324 HydrophobicContact CD1-CB 4.3Å; T309-C324 HydrophobicContact CG2-CB 4.38Å; Y322-C324 VanDerWaalsContact C-N 3.3Å
325	H	98.6	Very high	98.2	Very high	17 Å²	17	22.2 Å²	22.2	8%	0.079	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-51.3	164.1	-73	-52.6	0	0	0	110.3	H95 S98 P255 Y256 H257	H95-H325 AromaticContact CE1-CD2 3.76Å; H95-H325 AromaticContact CE1-NE2 3.38Å; H95-H325 PolarHBondContact CE1-NE2 3.26Å; H95-H325 AromaticContact ND1-CD2 3.81Å; H95-H325 AromaticContact ND1-NE2 3.79Å; S98-H325 WeakPolarHBondContact CB-ND1 3.36Å; P255-H325 PolarHBondContact O-CD2 3.13Å; Y256-H325 PolarHBondContact O-N 3.3Å; H257-H325 AromaticContact CE1-CD2 3.73Å; H257-H325 AromaticContact CE1-CG 3.93Å; H257-H325 AromaticContact NE2-CD2 3.72Å
326	D	98.7	Very high	98.2	Very high	26 Å²	26	25.2 Å²	25.2	14%	0.139	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	173.6	-178.1	55.7	32.9	0	0	0	110.6	H257 L258 K280	H257-D326 IonicContact CE1-OD1 3.27Å; H257-D326 IonicContact CE1-OD2 2.72Å; H257-D326 IonicContact CG-OD1 2.78Å; H257-D326 VanDerWaalsContact ND1-CG 3.3Å; H257-D326 IonicContact ND1-OD1 3.49Å; H257-D326 PolarHBondContact ND1-OD1 3.33Å; H257-D326 IonicContact ND1-OD2 3.57Å; H257-D326 PolarHBondContact ND1-OD2 3.36Å; L258-D326 PolarHBondContact N-O 3.15Å; L258-D326 VanDerWaalsContact N-O 3.09Å; K280-D326 VanDerWaalsContact CE-OD2 3.22Å; K280-D326 WeakPolarHBondContact CE-OD2 3.5Å; K280-D326 IonicContact NZ-OD2 3.17Å; K280-D326 PolarHBondContact NZ-OD2 3.33Å
327	V	98.8	Very high	98.2	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.4	179.1	-175.2	0	0	0	0	109.6	L258 E302 I305 L306 V329	L258-V327 HydrophobicContact CB-CG1 4.48Å; L258-V327 HydrophobicContact CB-CG2 4.22Å; L258-V327 HydrophobicContact CD2-CG1 4.28Å; L258-V327 HydrophobicContact CD2-CG2 4.14Å; L258-V327 HydrophobicContact CG-CG1 4.35Å; L258-V327 CarbonylContact O-C 3.59Å; L258-V327 VanDerWaalsContact O-CA 3.31Å; L258-V327 WeakPolarHBondContact O-CA 3.48Å; E302-V327 HydrophobicContact CB-CB 4.47Å; E302-V327 VanDerWaalsContact CD-O 3.3Å; E302-V327 HydrophobicContact CG-CG1 4.47Å; E302-V327 WeakPolarHBondContact CG-O 3.23Å; I305-V327 HydrophobicContact CB-CG1 4.16Å; I305-V327 HydrophobicContact CG2-CG1 3.93Å; I305-V327 HydrophobicContact CG2-CG2 4.18Å; L306-V327 HydrophobicContact CB-CG2 3.81Å; L306-V327 HydrophobicContact CD1-CG2 4.19Å; V327-V329 HydrophobicContact CG1-CG2 3.92Å
328	R	98.9	Very high	98.2	Very high	25 Å²	25	31.4 Å²	31.4	9%	0.094	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.5	164.7	-65.5	-62.9	-179.9	-86.2	-1.1	110.3	L258 A259 V260 A277 D283 R297 E302	L258-R328 PolarHBondContact O-N 2.91Å; A259-R328 CarbonylContact C-O 3.57Å; A259-R328 WeakPolarHBondContact CA-O 3.35Å; V260-R328 PolarHBondContact N-O 2.85Å; A277-R328 HydrophobicContact CB-CB 4.24Å; D283-R328 VanDerWaalsContact CG-NE 3.31Å; D283-R328 WeakPolarHBondContact OD1-CD 3.34Å; D283-R328 IonicContact OD1-CZ 3.12Å; D283-R328 IonicContact OD1-NE 2.74Å; D283-R328 PolarHBondContact OD1-NE 2.91Å; D283-R328 IonicContact OD1-NH2 3.13Å; D283-R328 IonicContact OD2-CZ 3.29Å; D283-R328 IonicContact OD2-NE 3.65Å; D283-R328 PolarHBondContact OD2-NE 2.85Å; D283-R328 IonicContact OD2-NH2 2.6Å; D283-R328 PolarHBondContact OD2-NH2 2.88Å; R297-R328 VanDerWaalsContact NH2-CZ 3.29Å; E302-R328 VanDerWaalsContact OE1-CA 3.26Å; E302-R328 WeakPolarHBondContact OE1-CA 3.33Å; E302-R328 WeakPolarHBondContact OE1-CD 3.35Å
329	V	98.9	Very high	98.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.8	176.9	-174.7	0	0	0	0	109.6	V260 I262 R297 D298 A301 E302 I305 V327	V260-V329 HydrophobicContact CB-CG2 4.42Å; V260-V329 CarbonylContact O-C 3.48Å; V260-V329 VanDerWaalsContact O-CA 3.29Å; V260-V329 WeakPolarHBondContact O-CA 3.47Å; I262-V329 HydrophobicContact CD1-CG1 4.34Å; R297-V329 CarbonylContact C-O 3.58Å; R297-V329 WeakPolarHBondContact CA-O 3.47Å; D298-V329 HydrophobicContact CB-CB 4.31Å; D298-V329 HydrophobicContact CB-CG1 4.18Å; D298-V329 PolarHBondContact N-O 2.84Å; A301-V329 HydrophobicContact CB-CB 4.14Å; A301-V329 HydrophobicContact CB-CG1 3.93Å; A301-V329 HydrophobicContact CB-CG2 4.05Å; E302-V329 HydrophobicContact CB-CG2 4.41Å; E302-V329 HydrophobicContact CG-CB 3.95Å; E302-V329 HydrophobicContact CG-CG2 3.71Å; E302-V329 VanDerWaalsContact CG-N 3.32Å; E302-V329 PolarHBondContact OE1-N 3.13Å; I305-V329 HydrophobicContact CD1-CG2 3.61Å; V327-V329 HydrophobicContact CG1-CG2 3.92Å
330	I	98.9	Very high	98.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124	178.5	-50.5	-51.4	0	0	0	109.9	V260 V261 I262 T273 A277 L282 L285 A295 F296 R297 L332	V260-I330 PolarHBondContact O-N 3.29Å; V261-I330 CarbonylContact C-O 3.55Å; V261-I330 VanDerWaalsContact CA-O 3.29Å; V261-I330 WeakPolarHBondContact CA-O 3.46Å; V261-I330 HydrophobicContact CG2-CB 4.2Å; I262-I330 PolarHBondContact N-O 3.42Å; T273-I330 HydrophobicContact CG2-CB 4.32Å; T273-I330 HydrophobicContact CG2-CG2 4.02Å; A277-I330 HydrophobicContact CB-CG1 3.92Å; L282-I330 HydrophobicContact CD1-CG1 4.3Å; L285-I330 HydrophobicContact CD1-CD1 3.77Å; L285-I330 HydrophobicContact CD1-CG1 4.35Å; L285-I330 HydrophobicContact CD1-CG2 3.84Å; A295-I330 HydrophobicContact CB-CG2 4.32Å; F296-I330 WeakPolarHBondContact O-CA 3.31Å; R297-I330 HydrophobicContact CB-CD1 3.99Å; R297-I330 HydrophobicContact CG-CD1 4.12Å; I330-L332 HydrophobicContact CG2-CD2 4.04Å; I330-L332 HydrophobicContact CG2-CG 4.4Å
331	R	98.8	Very high	98.6	Very high	60 Å²	60	29.8 Å²	29.8	23%	0.226	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.8	173	-177	72.4	-178.7	86.5	23.7	109.3	I262 A295 F296	I262-R331 WeakPolarHBondContact O-CD 3.47Å; I262-R331 PolarHBondContact O-NH1 3.24Å; A295-R331 VanDerWaalsContact CA-O 3.3Å; A295-R331 WeakPolarHBondContact CA-O 3.44Å; F296-R331 HydrophobicContact CD1-CB 3.93Å; F296-R331 HydrophobicContact CD1-CG 4.26Å; F296-R331 HydrophobicContact CD2-CB 4.35Å; F296-R331 HydrophobicContact CE1-CB 3.45Å; F296-R331 VanDerWaalsContact CE1-CB 3.45Å; F296-R331 HydrophobicContact CE1-CG 3.41Å; F296-R331 VanDerWaalsContact CE1-CG 3.41Å; F296-R331 HydrophobicContact CE2-CB 3.91Å; F296-R331 HydrophobicContact CE2-CG 4.47Å; F296-R331 HydrophobicContact CG-CB 4.37Å; F296-R331 HydrophobicContact CZ-CB 3.44Å; F296-R331 VanDerWaalsContact CZ-CB 3.44Å; F296-R331 HydrophobicContact CZ-CG 3.54Å; F296-R331 PolarHBondContact N-O 2.9Å; F296-R331 VanDerWaalsContact N-O 3.16Å; F296-R331 PolarHBondContact O-N 2.81Å
332	L	98.9	Very high	98.6	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	160.4	179.5	-67	-177.8	0	0	0	112.1	I37 L38 V261 I262 F269 T273 A295 I330	I37-L332 HydrophobicContact CG2-CD2 4.18Å; L38-L332 HydrophobicContact CD2-CD2 3.98Å; V261-L332 HydrophobicContact CG1-CD1 3.59Å; V261-L332 HydrophobicContact CG1-CG 3.91Å; I262-L332 PolarHBondContact O-N 2.92Å; F269-L332 HydrophobicContact CD1-CD1 3.98Å; F269-L332 HydrophobicContact CE1-CD1 3.9Å; F269-L332 HydrophobicContact CE1-CD2 4.37Å; T273-L332 HydrophobicContact CG2-CD1 4.07Å; T273-L332 HydrophobicContact CG2-CD2 4.29Å; T273-L332 HydrophobicContact CG2-CG 4.44Å; A295-L332 HydrophobicContact CB-CD2 3.51Å; I330-L332 HydrophobicContact CG2-CD2 4.04Å; I330-L332 HydrophobicContact CG2-CG 4.4Å
333	P	98.6	Very high	98.7	Very high	35 Å²	35	27.3 Å²	27.3	23%	0.227	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	163.8	163.9	29.9	-36.4	0	0	0	110.8	I37 G264 G293	I37-P333 HydrophobicContact CD1-CG 4.4Å; I37-P333 HydrophobicContact CG2-CG 4.05Å; G264-P333 CarbonylContact C-O 3.26Å; G264-P333 WeakPolarHBondContact CA-O 3.36Å; G264-P333 PolarHBondContact N-O 3.47Å; G293-P333 VanDerWaalsContact O-CD 3.29Å; G293-P333 WeakPolarHBondContact O-CD 3.34Å; G293-P333 VanDerWaalsContact O-CG 3.23Å; G293-P333 WeakPolarHBondContact O-CG 3.45Å
334	R	98.7	Very high	98.7	Very high	67 Å²	67	27.3 Å²	27.3	25%	0.253	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150	179.2	66.6	-175.3	-171.2	68.8	12.4	110.7	G336 S338	R334-G336 PolarHBondContact NH1-O 3.25Å; R334-S338 VanDerWaalsContact CD-O 3.24Å; R334-S338 WeakPolarHBondContact CD-O 3.46Å; R334-S338 PolarHBondContact NH1-O 3.08Å
335	H	98.5	Very high	98.7	Very high	131 Å²	131	27.2 Å²	27.2	61%	0.606	16%	0.162	S	C	*	.			trans	-61.5	146.8	165.8	-177	-95	0	0	0	110.2	A337 S338	H335-A337 PolarHBondContact ND1-N 3.07Å; H335-A337 PolarHBondContact O-N 3.39Å; H335-A337 VanDerWaalsContact O-N 3.13Å; H335-S338 PolarHBondContact O-N 3.04Å
336	G	97.9	Very high	98.7	Very high	63 Å²	63	26.5 Å²	26.5	65%	0.649	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.9	-174.5	0	0	0	0	0	113.6	R334	R334-G336 PolarHBondContact NH1-O 3.25Å
337	A	98.2	Very high	98.7	Very high	87 Å²	87	25.8 Å²	25.8	72%	0.719	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	1.6	-179.9	0	0	0	0	0	115.2	H335	H335-A337 PolarHBondContact ND1-N 3.07Å; H335-A337 PolarHBondContact O-N 3.39Å; H335-A337 VanDerWaalsContact O-N 3.13Å
338	S	98.6	Very high	98.7	Very high	48 Å²	48	26 Å²	26	34%	0.336	16%	0.158	S	C	.	.			trans	-129.4	147.6	-171.5	-48.8	0	0	0	0	111.4	R334 H335	R334-S338 VanDerWaalsContact CD-O 3.24Å; R334-S338 WeakPolarHBondContact CD-O 3.46Å; R334-S338 PolarHBondContact NH1-O 3.08Å; H335-S338 PolarHBondContact O-N 3.04Å
339	C	98.7	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	74.3	168.7	-164	0	0	0	0	109.3	Q227	Q227-C339 CarbonylContact C-O 3.59Å; Q227-C339 WeakPolarHBondContact CA-O 3.21Å; Q227-C339 HydrophobicContact CB-CB 4.43Å; Q227-C339 WeakPolarHBondContact CB-O 3.37Å; Q227-C339 PolarHBondContact N-O 3.32Å; Q227-C339 WeakPolarHBondContact O-CB 3.46Å; Q227-C339 PolarHBondContact O-N 3.4Å
340	P	98.8	Very high	98.6	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	139	173.3	29.4	-33.9	0	0	0	109.2	L224 G263 T270	L224-P340 HydrophobicContact CD1-CB 4.17Å; G263-P340 WeakPolarHBondContact CA-O 3.17Å; G263-P340 PolarHBondContact N-O 2.75Å; T270-P340 HydrophobicContact CG2-CB 4.29Å; T270-P340 WeakPolarHBondContact OG1-CG 3.16Å
341	V	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.6	174.5	-179.3	0	0	0	0	108.4	Y225 Q227 L231 F240 V261	Y225-V341 PolarHBondContact N-O 2.93Å; Y225-V341 PolarHBondContact O-N 3.1Å; Q227-V341 HydrophobicContact CB-CG2 4.18Å; Q227-V341 HydrophobicContact CG-CG2 4.07Å; L231-V341 HydrophobicContact CD2-CG2 3.79Å; F240-V341 HydrophobicContact CE1-CB 4.46Å; F240-V341 HydrophobicContact CE1-CG1 3.87Å; F240-V341 HydrophobicContact CZ-CG1 4.43Å; V261-V341 CarbonylContact O-C 3.49Å; V261-V341 VanDerWaalsContact O-CA 3.3Å; V261-V341 WeakPolarHBondContact O-CA 3.34Å
342	G	98.8	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.7	177.3	0	0	0	0	0	111.2	F223 V260 V261 V274	F223-G342 WeakPolarHBondContact O-CA 3.42Å; V260-G342 CarbonylContact C-O 3.45Å; V260-G342 WeakPolarHBondContact CA-O 3.37Å; V261-G342 PolarHBondContact N-O 3.17Å; V261-G342 PolarHBondContact O-N 3.23Å; V274-G342 VanDerWaalsContact CG2-C 3.48Å
343	I	98.8	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.3	173.3	-58.8	-179.2	0	0	0	108.2	T222 F223 Y225 F240 K244 L248 L258 A259 V260	T222-I343 CarbonylContact C-O 3.55Å; T222-I343 WeakPolarHBondContact CA-O 3.42Å; F223-I343 PolarHBondContact N-O 2.74Å; F223-I343 PolarHBondContact O-N 3.09Å; Y225-I343 HydrophobicContact CD2-CD1 4.44Å; Y225-I343 HydrophobicContact CD2-CG1 4.46Å; Y225-I343 HydrophobicContact CE2-CB 4.2Å; Y225-I343 HydrophobicContact CE2-CD1 3.89Å; Y225-I343 HydrophobicContact CE2-CG1 4.03Å; F240-I343 HydrophobicContact CE1-CD1 4.3Å; K244-I343 HydrophobicContact CB-CD1 3.74Å; L248-I343 HydrophobicContact CD1-CG2 4.27Å; L248-I343 HydrophobicContact CD2-CG2 4.38Å; L258-I343 HydrophobicContact CD1-CG2 3.82Å; A259-I343 WeakPolarHBondContact O-CA 3.35Å; V260-I343 HydrophobicContact CG1-CG1 4.35Å; V260-I343 HydrophobicContact CG2-CG1 4.39Å
344	G	98.7	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	168.6	-179.8	0	0	0	0	0	112.7	K221 A259	K221-G344 WeakPolarHBondContact O-CA 3.48Å; A259-G344 PolarHBondContact N-O 3.12Å; A259-G344 PolarHBondContact O-N 2.75Å
345	V	98.8	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.4	-174.8	-63.5	0	0	0	0	112.4	K214 K221 L248 A252 Y256 H257 L258	K214-V345 PolarHBondContact NZ-O 3.31Å; K221-V345 HydrophobicContact CB-CG2 4Å; L248-V345 HydrophobicContact CD1-CG1 3.89Å; L248-V345 HydrophobicContact CD2-CG1 4.27Å; A252-V345 HydrophobicContact CB-CG2 4.12Å; Y256-V345 HydrophobicContact CD1-CB 3.78Å; Y256-V345 HydrophobicContact CD1-CG1 4Å; Y256-V345 HydrophobicContact CD1-CG2 3.9Å; Y256-V345 HydrophobicContact CD2-CG1 3.98Å; Y256-V345 HydrophobicContact CE1-CB 4.39Å; Y256-V345 HydrophobicContact CE1-CG2 4.03Å; Y256-V345 HydrophobicContact CG-CB 3.92Å; Y256-V345 HydrophobicContact CG-CG1 3.67Å; Y256-V345 HydrophobicContact CG-CG2 4.43Å; H257-V345 CarbonylContact O-C 3.44Å; H257-V345 WeakPolarHBondContact O-CA 3.46Å; L258-V345 HydrophobicContact CD1-CG1 3.96Å
346	S	98.8	Very high	98.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.3	147.7	-152.1	0	0	0	0	109.3	Y256 H257 D350	Y256-S346 WeakPolarHBondContact CA-O 3.48Å; H257-S346 PolarHBondContact N-O 3.13Å; H257-S346 PolarHBondContact O-N 2.6Å; S346-D350 VanDerWaalsContact CB-OD1 3.3Å; S346-D350 WeakPolarHBondContact CB-OD1 3.4Å; S346-D350 PolarHBondContact OG-OD1 3.41Å
347	C	98.4	Very high	98.6	Very high	10 Å²	10	11.8 Å²	11.8	7%	0.068	8%	0.079	C	C	.	.			trans	-91.6	-178	-178.8	55.2	0	0	0	0	111.4	A252 A349 D350	A252-C347 WeakPolarHBondContact O-CB 3.43Å; C347-A349 CarbonylContact O-C 3.53Å; C347-A349 PolarHBondContact O-N 3.25Å; C347-A349 VanDerWaalsContact O-N 3.09Å; C347-D350 PolarHBondContact O-N 3.36Å
348	S	98.6	Very high	98.5	Very high	8 Å²	8	8.3 Å²	8.3	6%	0.056	5%	0.049	C	C	.	.	S	Bend	trans	-56.4	-22.5	171.1	-43.9	0	0	0	0	114.2	C253 D350	C253-S348 PolarHBondContact O-N 3.01Å; C253-S348 VanDerWaalsContact O-N 3.1Å; C253-S348 PolarHBondContact O-OG 3.38Å; S348-D350 PolarHBondContact O-N 3.17Å
349	A	98.2	Very high	98.4	Very high	16 Å²	16	9.7 Å²	9.7	13%	0.132	5%	0.053	C	C	.	.	S	Bend	trans	-86.6	67.3	166	0	0	0	0	0	109.5	C134 C347 R351	C134-A349 HydrophobicContact CB-CB 3.97Å; C347-A349 CarbonylContact O-C 3.53Å; C347-A349 PolarHBondContact O-N 3.25Å; C347-A349 VanDerWaalsContact O-N 3.09Å; A349-R351 VanDerWaalsContact C-N 3.32Å; A349-R351 HydrophobicContact CB-CG 4.33Å; A349-R351 WeakPolarHBondContact O-CG 3.44Å; A349-R351 PolarHBondContact O-N 3.28Å
350	D	98.7	Very high	98.4	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	8%	0.079	C	C	.	.			trans	-76.1	77.4	-177.5	-172.7	45.5	0	0	0	111.8	H257 S346 C347 S348 Q352	H257-D350 IonicContact CD2-OD1 3.7Å; H257-D350 IonicContact CD2-OD2 2.74Å; H257-D350 IonicContact NE2-OD2 3.72Å; S346-D350 VanDerWaalsContact CB-OD1 3.3Å; S346-D350 WeakPolarHBondContact CB-OD1 3.4Å; S346-D350 PolarHBondContact OG-OD1 3.41Å; C347-D350 PolarHBondContact O-N 3.36Å; S348-D350 PolarHBondContact O-N 3.17Å; D350-Q352 PolarHBondContact OD1-NE2 3.23Å; D350-Q352 PolarHBondContact OD1-OE1 3.39Å; D350-Q352 PolarHBondContact OD2-NE2 2.81Å
351	R	98.8	Very high	98.3	Very high	8 Å²	8	14.5 Å²	14.5	3%	0.03	8%	0.078	C	C	.	.			trans	-111.2	87.5	-163.6	-65.2	-173.1	-57.2	-153.6	-0.1	112.9	V87 D136 T137 V212 A213 A349	V87-R351 HydrophobicContact CB-CB 4.01Å; V87-R351 HydrophobicContact CG2-CB 4.45Å; V87-R351 WeakPolarHBondContact O-CD 2.88Å; V87-R351 WeakPolarHBondContact O-CG 3.43Å; D136-R351 PolarHBondContact O-NH1 2.94Å; D136-R351 PolarHBondContact O-NH2 3.1Å; T137-R351 PolarHBondContact O-NH2 3.21Å; V212-R351 WeakPolarHBondContact CA-O 3.3Å; A213-R351 HydrophobicContact CB-CB 4.02Å; A213-R351 PolarHBondContact N-O 2.85Å; A213-R351 PolarHBondContact O-NE 3.39Å; A213-R351 PolarHBondContact O-NH2 3.09Å; A349-R351 VanDerWaalsContact C-N 3.32Å; A349-R351 HydrophobicContact CB-CG 4.33Å; A349-R351 WeakPolarHBondContact O-CG 3.44Å; A349-R351 PolarHBondContact O-N 3.28Å
352	Q	98.7	Very high	98.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.1	168.8	59.5	-84.1	-36.3	0	0	111.4	R92 L210 F211 V212 C279 D350	R92-Q352 VanDerWaalsContact NH1-CG 3.32Å; L210-Q352 HydrophobicContact CD1-CB 4.06Å; F211-Q352 CarbonylContact O-C 3.58Å; F211-Q352 WeakPolarHBondContact O-CA 3.46Å; F211-Q352 WeakPolarHBondContact O-CB 3.35Å; V212-Q352 HydrophobicContact CG2-CB 4.09Å; C279-Q352 HydrophobicContact CB-CG 4.17Å; D350-Q352 PolarHBondContact OD1-NE2 3.23Å; D350-Q352 PolarHBondContact OD1-OE1 3.39Å; D350-Q352 PolarHBondContact OD2-NE2 2.81Å
353	I	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	134.7	180	-162.6	165.9	0	0	0	109.8	A83 D86 V87 F211 L364 E365 L367	A83-I353 HydrophobicContact CB-CG2 3.62Å; D86-I353 HydrophobicContact CB-CD1 3.75Å; V87-I353 HydrophobicContact CG1-CB 3.46Å; V87-I353 VanDerWaalsContact CG1-CB 3.46Å; V87-I353 HydrophobicContact CG1-CD1 4.38Å; V87-I353 HydrophobicContact CG1-CG2 3.41Å; V87-I353 VanDerWaalsContact CG1-CG2 3.41Å; F211-I353 HydrophobicContact CB-CG2 3.77Å; F211-I353 HydrophobicContact CD2-CG2 4.4Å; F211-I353 PolarHBondContact N-O 3.47Å; F211-I353 PolarHBondContact O-N 3.11Å; I353-L364 HydrophobicContact CD1-CD1 3.9Å; I353-L364 HydrophobicContact CD1-CD2 3.62Å; I353-L364 HydrophobicContact CD1-CG 3.49Å; I353-L364 VanDerWaalsContact CD1-CG 3.49Å; I353-L364 HydrophobicContact CG1-CD1 3.89Å; I353-L364 HydrophobicContact CG1-CG 3.88Å; I353-L364 HydrophobicContact CG2-CD1 4.08Å; I353-E365 WeakPolarHBondContact CA-OE2 3.47Å; I353-E365 WeakPolarHBondContact CD1-O 3.22Å; I353-E365 HydrophobicContact CG1-CB 3.7Å; I353-E365 HydrophobicContact CG1-CG 4.19Å; I353-L367 HydrophobicContact CD1-CD1 3.86Å; I353-L367 HydrophobicContact CD1-CG 3.88Å; I353-L367 HydrophobicContact CG1-CD1 4.41Å; I353-L367 HydrophobicContact CG1-CG 4.29Å
354	L	98.7	Very high	98.3	Very high	10 Å²	10	16 Å²	16	5%	0.052	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	139.1	174.5	-64.2	170	0	0	0	110	T48 F50 F209 L210 Y281 E365	T48-L354 HydrophobicContact CG2-CD1 4.19Å; F50-L354 HydrophobicContact CE1-CB 4.13Å; F50-L354 HydrophobicContact CZ-CB 3.98Å; F209-L354 WeakPolarHBondContact O-CA 3.05Å; L210-L354 HydrophobicContact CB-CD2 4.31Å; L210-L354 HydrophobicContact CD1-CD2 3.89Å; Y281-L354 HydrophobicContact CD2-CD2 4.01Å; Y281-L354 HydrophobicContact CE2-CD2 4.07Å; L354-E365 HydrophobicContact CB-CB 4.09Å; L354-E365 PolarHBondContact N-OE2 3Å; L354-E365 WeakPolarHBondContact O-CB 3.44Å; L354-E365 PolarHBondContact O-N 2.89Å
355	G	98.6	Very high	98.3	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.2	172.6	0	0	0	0	0	110.7	F209 F363	F209-G355 PolarHBondContact N-O 3.38Å; F209-G355 PolarHBondContact O-N 3.29Å; G355-F363 WeakPolarHBondContact CA-O 3.34Å
356	R	97.7	Very high	98.3	Very high	47 Å²	47	19.9 Å²	19.9	18%	0.177	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.1	172.5	62.2	172	58.8	-177.4	-3.2	111.4	Y45 F50 Y207 N208 F363	Y45-R356 VanDerWaalsContact CE2-NH2 3.34Å; F50-R356 HydrophobicContact CD1-CG 4.08Å; F50-R356 HydrophobicContact CE1-CG 4.02Å; Y207-R356 CarbonylContact O-C 3.53Å; Y207-R356 VanDerWaalsContact O-CA 3.31Å; Y207-R356 WeakPolarHBondContact O-CA 3.28Å; N208-R356 WeakPolarHBondContact OD1-CB 3.12Å; R356-F363 HydrophobicContact CG-CB 3.63Å; R356-F363 HydrophobicContact CG-CD2 4.05Å; R356-F363 HydrophobicContact CG-CG 4.18Å; R356-F363 PolarHBondContact N-O 2.93Å; R356-F363 PolarHBondContact O-N 3.06Å
357	I	98.3	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.1	170	-56.3	174.3	0	0	0	106.8	V58 L69 V71 A75 L76 L79 E206 Y207 F209 G361 V362	V58-I357 HydrophobicContact CG1-CG2 3.45Å; V58-I357 VanDerWaalsContact CG1-CG2 3.45Å; L69-I357 HydrophobicContact CD2-CG2 4.36Å; V71-I357 HydrophobicContact CG1-CD1 3.86Å; V71-I357 HydrophobicContact CG1-CG2 4.01Å; V71-I357 HydrophobicContact CG2-CG2 3.7Å; A75-I357 HydrophobicContact CB-CD1 4.07Å; L76-I357 HydrophobicContact CD2-CD1 3.81Å; L79-I357 HydrophobicContact CD2-CD1 4.23Å; L79-I357 HydrophobicContact CD2-CG1 4.19Å; E206-I357 WeakPolarHBondContact CA-O 3.18Å; Y207-I357 PolarHBondContact N-O 2.78Å; Y207-I357 PolarHBondContact O-N 2.97Å; F209-I357 HydrophobicContact CE2-CD1 3.9Å; F209-I357 HydrophobicContact CE2-CG1 4.08Å; F209-I357 HydrophobicContact CZ-CD1 4.31Å; I357-G361 WeakPolarHBondContact CA-O 3.46Å; I357-V362 HydrophobicContact CG1-CG1 4.21Å; I357-V362 HydrophobicContact CG1-CG2 4.29Å; I357-V362 HydrophobicContact CG2-CG2 4.45Å
358	T	97	Very high	98.3	Very high	14 Å²	14	20.4 Å²	20.4	9%	0.086	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-179.6	178.5	75.5	0	0	0	0	109	E206 D360 G361	E206-T358 HydrophobicContact CG-CG2 4.07Å; T358-D360 PolarHBondContact O-N 2.97Å; T358-D360 PolarHBondContact OG1-N 2.98Å; T358-D360 VanDerWaalsContact OG1-N 3.1Å; T358-G361 PolarHBondContact N-O 3.04Å; T358-G361 PolarHBondContact O-N 3.14Å
359	N	96.7	Very high	98.3	Very high	78 Å²	78	24.2 Å²	24.2	42%	0.417	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.1	170	174.9	51.3	0	0	0	113.1	V58 L60 L69 G361	V58-N359 WeakPolarHBondContact CG2-O 3.27Å; L60-N359 HydrophobicContact CD1-CB 4.22Å; L60-N359 VanDerWaalsContact CD1-CG 3.42Å; L60-N359 WeakPolarHBondContact CD1-OD1 3.09Å; L60-N359 HydrophobicContact CD2-CB 4.3Å; L60-N359 HydrophobicContact CG-CB 4.27Å; L60-N359 WeakPolarHBondContact CG-OD1 3.26Å; L69-N359 HydrophobicContact CD1-CB 4.36Å; N359-G361 VanDerWaalsContact C-N 3.28Å; N359-G361 PolarHBondContact O-N 2.7Å
360	D	97	Very high	98.3	Very high	104 Å²	104	27 Å²	27	56%	0.556	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.6	-177.4	-57.9	-48.1	0	0	0	112.5	K52 T358 F363	K52-D360 WeakPolarHBondContact CE-O 3.49Å; K52-D360 PolarHBondContact NZ-O 2.95Å; T358-D360 PolarHBondContact O-N 2.97Å; T358-D360 PolarHBondContact OG1-N 2.98Å; T358-D360 VanDerWaalsContact OG1-N 3.1Å; D360-F363 HydrophobicContact CB-CE2 4.03Å; D360-F363 HydrophobicContact CB-CZ 3.72Å
361	G	98.2	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	-158.2	177.8	0	0	0	0	0	114.4	T54 I357 T358 N359 F363	T54-G361 VanDerWaalsContact O-CA 3.28Å; T54-G361 WeakPolarHBondContact O-CA 3.39Å; I357-G361 WeakPolarHBondContact CA-O 3.46Å; T358-G361 PolarHBondContact N-O 3.04Å; T358-G361 PolarHBondContact O-N 3.14Å; N359-G361 VanDerWaalsContact C-N 3.28Å; N359-G361 PolarHBondContact O-N 2.7Å; G361-F363 WeakPolarHBondContact O-CD2 3.36Å; G361-F363 WeakPolarHBondContact O-CE2 3.44Å
362	V	98.7	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.1	179.5	-174.9	0	0	0	0	108.5	L53 T54 A75 L79 I357	L53-V362 HydrophobicContact CB-CB 4.32Å; L53-V362 HydrophobicContact CB-CG1 4.31Å; L53-V362 HydrophobicContact CD1-CG1 3.94Å; L53-V362 HydrophobicContact CG-CG1 4.41Å; L53-V362 PolarHBondContact N-O 3.04Å; T54-V362 HydrophobicContact CG2-CB 4.1Å; T54-V362 HydrophobicContact CG2-CG2 3.92Å; T54-V362 PolarHBondContact O-N 2.91Å; A75-V362 HydrophobicContact CB-CG2 3.74Å; L79-V362 HydrophobicContact CB-CG1 3.91Å; L79-V362 HydrophobicContact CD1-CG1 3.81Å; L79-V362 HydrophobicContact CG-CG1 4.28Å; I357-V362 HydrophobicContact CG1-CG1 4.21Å; I357-V362 HydrophobicContact CG1-CG2 4.29Å; I357-V362 HydrophobicContact CG2-CG2 4.45Å
363	F	98.6	Very high	98.1	Very high	33 Å²	33	34.7 Å²	34.7	15%	0.145	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.9	-177.6	-49.7	-105.9	0	0	0	111.9	F50 R51 K52 L79 G355 R356 D360 G361	F50-F363 HydrophobicContact CB-CB 4.07Å; F50-F363 HydrophobicContact CD1-CB 3.97Å; F50-F363 HydrophobicContact CG-CB 4.34Å; R51-F363 VanDerWaalsContact O-CA 3.3Å; R51-F363 WeakPolarHBondContact O-CA 3.19Å; K52-F363 HydrophobicContact CB-CD1 3.74Å; K52-F363 HydrophobicContact CB-CE1 3.69Å; K52-F363 HydrophobicContact CD-CE1 3.93Å; K52-F363 HydrophobicContact CD-CZ 4.14Å; K52-F363 HydrophobicContact CG-CD1 4Å; K52-F363 HydrophobicContact CG-CE1 3.67Å; K52-F363 HydrophobicContact CG-CZ 4.11Å; L79-F363 WeakPolarHBondContact CD1-O 3.46Å; G355-F363 WeakPolarHBondContact CA-O 3.34Å; R356-F363 HydrophobicContact CG-CB 3.63Å; R356-F363 HydrophobicContact CG-CD2 4.05Å; R356-F363 HydrophobicContact CG-CG 4.18Å; R356-F363 PolarHBondContact N-O 2.93Å; R356-F363 PolarHBondContact O-N 3.06Å; D360-F363 HydrophobicContact CB-CE2 4.03Å; D360-F363 HydrophobicContact CB-CZ 3.72Å; G361-F363 WeakPolarHBondContact O-CD2 3.36Å; G361-F363 WeakPolarHBondContact O-CE2 3.44Å
364	L	98.6	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143	179.5	-167.6	69.9	0	0	0	109.5	F50 R51 L53 L79 Q82 A83 I353 Q366	F50-L364 CarbonylContact C-O 3.54Å; F50-L364 VanDerWaalsContact CA-O 3.28Å; F50-L364 WeakPolarHBondContact CA-O 2.99Å; R51-L364 HydrophobicContact CG-CB 4.43Å; R51-L364 PolarHBondContact N-O 2.64Å; R51-L364 PolarHBondContact O-N 2.92Å; L53-L364 HydrophobicContact CD1-CB 4.27Å; L53-L364 HydrophobicContact CD2-CB 4.25Å; L53-L364 HydrophobicContact CG-CB 4.29Å; L79-L364 HydrophobicContact CD1-CB 4.32Å; L79-L364 HydrophobicContact CD1-CD1 3.78Å; Q82-L364 HydrophobicContact CB-CD2 3.94Å; A83-L364 HydrophobicContact CB-CD1 3.83Å; I353-L364 HydrophobicContact CD1-CD1 3.9Å; I353-L364 HydrophobicContact CD1-CD2 3.62Å; I353-L364 HydrophobicContact CD1-CG 3.49Å; I353-L364 VanDerWaalsContact CD1-CG 3.49Å; I353-L364 HydrophobicContact CG1-CD1 3.89Å; I353-L364 HydrophobicContact CG1-CG 3.88Å; I353-L364 HydrophobicContact CG2-CD1 4.08Å; L364-Q366 PolarHBondContact O-N 2.79Å
365	E	98.7	Very high	97.8	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	132.8	175.4	160.4	179.3	-169.7	0	0	110.1	T48 P49 F50 R92 I353 L354 L367	T48-E365 HydrophobicContact CG2-CB 3.73Å; T48-E365 HydrophobicContact CG2-CG 3.5Å; T48-E365 VanDerWaalsContact CG2-CG 3.5Å; P49-E365 CarbonylContact O-C 3.6Å; P49-E365 WeakPolarHBondContact O-CA 3.32Å; F50-E365 HydrophobicContact CE1-CB 4.37Å; R92-E365 IonicContact CZ-OE1 3.67Å; R92-E365 IonicContact CZ-OE2 3.45Å; R92-E365 IonicContact NE-OE1 3.44Å; R92-E365 PolarHBondContact NE-OE1 2.86Å; R92-E365 IonicContact NE-OE2 2.96Å; R92-E365 IonicContact NH2-OE1 2.79Å; R92-E365 PolarHBondContact NH2-OE1 3.36Å; R92-E365 IonicContact NH2-OE2 3.33Å; R92-E365 PolarHBondContact NH2-OE2 2.97Å; I353-E365 WeakPolarHBondContact CA-OE2 3.47Å; I353-E365 WeakPolarHBondContact CD1-O 3.22Å; I353-E365 HydrophobicContact CG1-CB 3.7Å; I353-E365 HydrophobicContact CG1-CG 4.19Å; L354-E365 HydrophobicContact CB-CB 4.09Å; L354-E365 PolarHBondContact N-OE2 3Å; L354-E365 WeakPolarHBondContact O-CB 3.44Å; L354-E365 PolarHBondContact O-N 2.89Å; E365-L367 HydrophobicContact CG-CD2 4.05Å; E365-L367 PolarHBondContact O-N 3.5Å
366	Q	98.5	Very high	97.5	Very high	68 Å²	68	39 Å²	39	32%	0.318	20%	0.203	S	C	.	.			trans	-81.7	103.2	178.3	179.8	64.7	62	0	0	109.2	P49 R51 L364	P49-Q366 HydrophobicContact CB-CB 4.32Å; P49-Q366 HydrophobicContact CG-CB 4.38Å; P49-Q366 PolarHBondContact O-N 3.19Å; R51-Q366 VanDerWaalsContact CD-OE1 3.31Å; L364-Q366 PolarHBondContact O-N 2.79Å
367	L	98.6	Very high	96.8	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	22%	0.218	C	C	.	.			trans	-77	169.6	170.4	-59.7	-174.8	0	0	0	111.4	D86 V87 L90 R92 I353 E365 T369	D86-L367 HydrophobicContact CB-CD1 4.28Å; V87-L367 HydrophobicContact CG1-CD1 4.2Å; L90-L367 HydrophobicContact CB-CB 3.69Å; L90-L367 HydrophobicContact CB-CD1 3.93Å; L90-L367 HydrophobicContact CB-CG 4.48Å; L90-L367 HydrophobicContact CD1-CB 4.17Å; R92-L367 HydrophobicContact CG-CD2 3.71Å; I353-L367 HydrophobicContact CD1-CD1 3.86Å; I353-L367 HydrophobicContact CD1-CG 3.88Å; I353-L367 HydrophobicContact CG1-CD1 4.41Å; I353-L367 HydrophobicContact CG1-CG 4.29Å; E365-L367 HydrophobicContact CG-CD2 4.05Å; E365-L367 PolarHBondContact O-N 3.5Å; L367-T369 PolarHBondContact O-N 3.3Å
368	E	98.4	Very high	95.7	Very high	19 Å²	19	46.9 Å²	46.9	9%	0.089	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-73.9	119.3	179.8	-178.1	66.9	-111	0	0	111.5	L90 L91 P93 L96 D370 K373 Y374	L90-E368 WeakPolarHBondContact CD2-O 3.47Å; L91-E368 WeakPolarHBondContact O-CB 3.41Å; L91-E368 PolarHBondContact O-N 3.03Å; L91-E368 VanDerWaalsContact O-N 3.12Å; P93-E368 HydrophobicContact CG-CB 4.24Å; L96-E368 HydrophobicContact CD1-CB 3.6Å; L96-E368 HydrophobicContact CD1-CG 3.58Å; E368-D370 PolarHBondContact OE1-N 3.24Å; E368-D370 VanDerWaalsContact OE1-N 3.14Å; E368-K373 IonicContact OE1-NZ 2.75Å; E368-K373 PolarHBondContact OE1-NZ 3.17Å; E368-K373 WeakPolarHBondContact OE2-CE 3.45Å; E368-K373 IonicContact OE2-NZ 3.14Å; E368-K373 PolarHBondContact OE2-NZ 3.19Å; E368-Y374 HydrophobicContact CG-CE2 3.83Å; E368-Y374 WeakPolarHBondContact OE2-CE2 3.36Å; E368-Y374 PolarHBondContact OE2-OH 2.75Å
369	T	98.3	Very high	94.2	Very high	88 Å²	88	50.4 Å²	50.4	54%	0.54	28%	0.28	S	S	.	.	S	Bend	trans	-94.8	-14	175.7	55.9	0	0	0	0	113.3	L90 L367	L90-T369 HydrophobicContact CD1-CG2 4Å; L367-T369 PolarHBondContact O-N 3.3Å
370	D	98.3	Very high	92.7	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	28%	0.284	S	S	.	.			trans	-124	77.4	175.9	-179	19.3	0	0	0	111	E368 S372 K373	E368-D370 PolarHBondContact OE1-N 3.24Å; E368-D370 VanDerWaalsContact OE1-N 3.14Å; D370-S372 PolarHBondContact O-N 3.34Å; D370-S372 VanDerWaalsContact OD1-CB 3.29Å; D370-S372 WeakPolarHBondContact OD1-CB 3.49Å; D370-S372 PolarHBondContact OD1-N 3.23Å; D370-S372 PolarHBondContact OD1-OG 2.84Å; D370-K373 WeakPolarHBondContact O-CG 3.48Å
371	P	98	Very high	90.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.019	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-69.8	-9.7	175.7	31.3	-37.9	0	0	0	113.1	L96 A123 N124 C127 K373 Y374	L96-P371 HydrophobicContact CD1-CB 3.96Å; L96-P371 HydrophobicContact CD2-CB 4.25Å; A123-P371 HydrophobicContact CB-CB 4.17Å; N124-P371 HydrophobicContact CB-CG 4.35Å; C127-P371 HydrophobicContact CB-CG 3.77Å; C127-P371 VanDerWaalsContact SG-CD 3.57Å; C127-P371 VanDerWaalsContact SG-CG 3.6Å; P371-K373 PolarHBondContact O-N 3.39Å; P371-Y374 WeakPolarHBondContact O-CD2 3.23Å; P371-Y374 PolarHBondContact O-N 2.8Å; P371-Y374 VanDerWaalsContact O-N 3.12Å
372	S	96.9	Very high	89	Confident	52 Å²	52	57.4 Å²	57.4	36%	0.364	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-62	-31.9	-176.7	78.8	0	0	0	0	112.3	N124 D370 Y374 L375	N124-S372 VanDerWaalsContact OD1-CB 3.31Å; N124-S372 WeakPolarHBondContact OD1-CB 3.26Å; D370-S372 PolarHBondContact O-N 3.34Å; D370-S372 VanDerWaalsContact OD1-CB 3.29Å; D370-S372 WeakPolarHBondContact OD1-CB 3.49Å; D370-S372 PolarHBondContact OD1-N 3.23Å; D370-S372 PolarHBondContact OD1-OG 2.84Å; S372-Y374 PolarHBondContact O-N 2.9Å; S372-Y374 VanDerWaalsContact O-N 3.09Å; S372-L375 WeakPolarHBondContact O-CB 3.22Å; S372-L375 PolarHBondContact O-N 3.16Å
373	K	97	Very high	87.5	Confident	120 Å²	120	59 Å²	59	52%	0.522	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-64.5	-12.4	177.3	74.6	-167.1	180	-163	0	115.1	E368 D370 P371	E368-K373 IonicContact OE1-NZ 2.75Å; E368-K373 PolarHBondContact OE1-NZ 3.17Å; E368-K373 WeakPolarHBondContact OE2-CE 3.45Å; E368-K373 IonicContact OE2-NZ 3.14Å; E368-K373 PolarHBondContact OE2-NZ 3.19Å; D370-K373 WeakPolarHBondContact O-CG 3.48Å; P371-K373 PolarHBondContact O-N 3.39Å
374	Y	97.7	Very high	85.9	Confident	18 Å²	18	60.3 Å²	60.3	7%	0.071	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-95	-13.2	176	-59.9	-86.2	0	0	0	113.1	P93 L96 Q97 S100 E368 P371 S372	P93-Y374 WeakPolarHBondContact CB-OH 3.47Å; L96-Y374 HydrophobicContact CB-CD1 3.95Å; L96-Y374 HydrophobicContact CB-CD2 3.71Å; L96-Y374 HydrophobicContact CB-CE1 4.08Å; L96-Y374 HydrophobicContact CB-CE2 3.85Å; L96-Y374 HydrophobicContact CB-CG 3.76Å; L96-Y374 HydrophobicContact CD1-CD2 3.98Å; L96-Y374 HydrophobicContact CD1-CE2 3.79Å; L96-Y374 HydrophobicContact CG-CD2 4.41Å; L96-Y374 HydrophobicContact CG-CE2 4.48Å; Q97-Y374 HydrophobicContact CB-CD1 4.31Å; Q97-Y374 HydrophobicContact CB-CE1 3.96Å; S100-Y374 WeakPolarHBondContact CB-O 3.44Å; S100-Y374 PolarHBondContact OG-O 3.26Å; E368-Y374 HydrophobicContact CG-CE2 3.83Å; E368-Y374 WeakPolarHBondContact OE2-CE2 3.36Å; E368-Y374 PolarHBondContact OE2-OH 2.75Å; P371-Y374 WeakPolarHBondContact O-CD2 3.23Å; P371-Y374 PolarHBondContact O-N 2.8Å; P371-Y374 VanDerWaalsContact O-N 3.12Å; S372-Y374 PolarHBondContact O-N 2.9Å; S372-Y374 VanDerWaalsContact O-N 3.09Å
375	L	95.2	Very high	84.4	Confident	48 Å²	48	66.9 Å²	66.9	25%	0.251	37%	0.37	S	S	.	.	S	Bend	trans	-67	149.8	174.9	-72.5	166.5	0	0	0	110.5	L117 L120 K121 N124 S372	L117-L375 HydrophobicContact CD1-CD2 4.18Å; L120-L375 HydrophobicContact CB-CD2 3.62Å; L120-L375 HydrophobicContact CB-CG 4.46Å; K121-L375 HydrophobicContact CG-CD2 3.98Å; N124-L375 HydrophobicContact CB-CD1 4.25Å; S372-L375 WeakPolarHBondContact O-CB 3.22Å; S372-L375 PolarHBondContact O-N 3.16Å
376	P	91.4	Very high	83.5	Confident	35 Å²	35	73 Å²	73	23%	0.227	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-69.6	161.1	171	33.2	-34.5	0	0	0	110.1	L103 L117 P378	L103-P376 HydrophobicContact CD1-CB 4.21Å; L103-P376 HydrophobicContact CD1-CG 3.84Å; L117-P376 HydrophobicContact CD1-CG 3.79Å; P376-P378 WeakPolarHBondContact O-CD 3.44Å
377	D	83.2	Confident	83.2	Confident	92 Å²	92	72.3 Å²	72.3	49%	0.492	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-57.4	121.5	170.1	-175.2	-28.2	0	0	0	109.7	S379 L380	D377-S379 PolarHBondContact O-N 2.93Å; D377-S379 VanDerWaalsContact O-N 3.11Å; D377-S379 VanDerWaalsContact OD1-CB 3.3Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.9Å; D377-S379 PolarHBondContact OD1-OG 3.5Å; D377-S379 PolarHBondContact OD2-OG 2.92Å; D377-L380 HydrophobicContact CB-CD1 3.92Å; D377-L380 HydrophobicContact CB-CG 4.09Å; D377-L380 WeakPolarHBondContact O-CB 3.3Å; D377-L380 PolarHBondContact O-N 3.02Å
378	P	75.4	Confident	83.1	Confident	121 Å²	121	73.4 Å²	73.4	79%	0.786	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23	-179.5	-24.5	33.8	0	0	0	114.4	P376 L380	P376-P378 WeakPolarHBondContact O-CD 3.44Å; P378-L380 PolarHBondContact O-N 3.46Å
379	S	66	Low	83	Confident	88 Å²	88	79.9 Å²	79.9	62%	0.615	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.8	177.1	67.7	0	0	0	0	113	D377 N381	D377-S379 PolarHBondContact O-N 2.93Å; D377-S379 VanDerWaalsContact O-N 3.11Å; D377-S379 VanDerWaalsContact OD1-CB 3.3Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.9Å; D377-S379 PolarHBondContact OD1-OG 3.5Å; D377-S379 PolarHBondContact OD2-OG 2.92Å; S379-N381 PolarHBondContact O-N 2.9Å
380	L	63.3	Low	83	Confident	94 Å²	94	75.9 Å²	75.9	49%	0.492	41%	0.414	S	S	.	.			trans	-85.1	88.6	176.4	-57.1	172.1	0	0	0	108.7	D377 P378 Q382	D377-L380 HydrophobicContact CB-CD1 3.92Å; D377-L380 HydrophobicContact CB-CG 4.09Å; D377-L380 WeakPolarHBondContact O-CB 3.3Å; D377-L380 PolarHBondContact O-N 3.02Å; P378-L380 PolarHBondContact O-N 3.46Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 HydrophobicContact CB-CG 3.85Å; L380-Q382 WeakPolarHBondContact O-CG 3.46Å; L380-Q382 PolarHBondContact O-N 3.15Å
381	N	58.7	Low	83	Confident	150 Å²	150	75.7 Å²	75.7	80%	0.802	41%	0.413	S	S	*	.			trans	-65.2	87.4	167.4	-94.2	-19.1	0	0	0	109.6	S379	S379-N381 PolarHBondContact O-N 2.9Å
382	Q	60.4	Low	83.1	Confident	85 Å²	85	75.7 Å²	75.7	40%	0.397	41%	0.412	S	S	.	.			trans	-93.4	-12.2	-170.7	-71.7	-177	10.9	0	0	114.9	L380	L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 HydrophobicContact CB-CG 3.85Å; L380-Q382 WeakPolarHBondContact O-CG 3.46Å; L380-Q382 PolarHBondContact O-N 3.15Å
383	L	67.4	Low	83.1	Confident	33 Å²	33	77.9 Å²	77.9	17%	0.173	42%	0.42	C	S	.	.	S	Bend	trans	-116.8	134.1	-172.6	-65.1	171.3	0	0	0	111	N110 K113 F114 L117 N385	N110-L383 WeakPolarHBondContact O-CD2 3.26Å; K113-L383 HydrophobicContact CB-CD2 3.87Å; F114-L383 HydrophobicContact CB-CD1 3.86Å; F114-L383 HydrophobicContact CB-CD2 4.35Å; F114-L383 HydrophobicContact CD2-CD1 3.81Å; F114-L383 HydrophobicContact CG-CD1 4.32Å; L117-L383 HydrophobicContact CD2-CD1 3.8Å; L383-N385 PolarHBondContact O-N 2.87Å
384	P	65	Low	83.2	Confident	62 Å²	62	74.9 Å²	74.9	40%	0.403	41%	0.41	S	S	.	.			trans	-53.6	141.6	174.4	-23.6	32.2	0	0	0	110.8	R411	P384-R411 PolarHBondContact O-NH2 3.16Å
385	N	66.7	Low	83.2	Confident	138 Å²	138	77.7 Å²	77.7	74%	0.738	43%	0.43	S	S	*	.			trans	-90.7	4.3	-179	-81.8	-22.7	0	0	0	113.8	L383 V387	L383-N385 PolarHBondContact O-N 2.87Å; N385-V387 PolarHBondContact O-N 2.84Å
386	D	79.4	Confident	83.4	Confident	140 Å²	140	76.5 Å²	76.5	75%	0.749	42%	0.423	S	S	*	.			trans	-68.3	103.1	-177.9	-60.9	-29.1	0	0	0	109.8	R411	D386-R411 PolarHBondContact O-NE 2.87Å; D386-R411 PolarHBondContact O-NH2 2.94Å
387	V	91.6	Very high	83.7	Confident	54 Å²	54	83.2 Å²	83.2	33%	0.327	45%	0.449	S	S	.	.			trans	-137	129.4	177.6	-174.3	0	0	0	0	107.6	N385 R411 S413	N385-V387 PolarHBondContact O-N 2.84Å; V387-R411 HydrophobicContact CG1-CG 4.49Å; V387-R411 HydrophobicContact CG2-CG 4.41Å; V387-R411 VanDerWaalsContact CG2-NH2 3.3Å; V387-S413 VanDerWaalsContact CG1-CB 3.48Å
388	V	96.7	Very high	84.4	Confident	27 Å²	27	83.7 Å²	83.7	16%	0.164	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.9	173.2	179	0	0	0	0	108.7	V390 Y406 T410 R411 L412 S413	V388-V390 HydrophobicContact CG1-CG2 4.12Å; V388-Y406 HydrophobicContact CG1-CD2 4.31Å; V388-Y406 HydrophobicContact CG1-CE1 4.27Å; V388-Y406 HydrophobicContact CG1-CE2 3.59Å; V388-Y406 HydrophobicContact CG2-CD1 4.06Å; V388-Y406 HydrophobicContact CG2-CE1 3.71Å; V388-Y406 HydrophobicContact CG2-CE2 4.39Å; V388-T410 HydrophobicContact CG2-CG2 3.83Å; V388-R411 PolarHBondContact N-O 3.23Å; V388-L412 HydrophobicContact CB-CD2 3.89Å; V388-L412 HydrophobicContact CG1-CD2 4.33Å; V388-L412 CarbonylContact O-C 3.48Å; V388-L412 VanDerWaalsContact O-CA 3.29Å; V388-L412 WeakPolarHBondContact O-CA 3.48Å; V388-S413 PolarHBondContact O-N 3.46Å
389	K	97.4	Very high	85.5	Confident	156 Å²	156	78 Å²	78	68%	0.678	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.7	172.8	-65.1	-173.8	175.7	-171.1	0	109.3	S413	K389-S413 WeakPolarHBondContact CA-O 3.45Å
390	V	98.3	Very high	87.1	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.018	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.3	-179.5	-177	0	0	0	0	109.4	V388 L392 I399 L403 L412 S413 L414 T415	V388-V390 HydrophobicContact CG1-CG2 4.12Å; V390-L392 HydrophobicContact CG1-CD2 4.05Å; V390-I399 HydrophobicContact CG1-CG2 4.16Å; V390-L403 HydrophobicContact CG1-CD2 4.45Å; V390-L403 HydrophobicContact CG2-CD2 4.22Å; V390-L412 HydrophobicContact CG2-CD1 4.47Å; V390-L412 HydrophobicContact CG2-CD2 4.09Å; V390-S413 PolarHBondContact N-O 2.76Å; V390-L414 HydrophobicContact CB-CD2 3.94Å; V390-L414 HydrophobicContact CG2-CD2 4.27Å; V390-T415 PolarHBondContact O-N 3.15Å
391	N	98.5	Very high	88.7	Confident	71 Å²	71	73.6 Å²	73.6	38%	0.38	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.5	176.5	-179.2	9.7	0	0	0	110.6	N393 L394	N391-N393 VanDerWaalsContact C-N 3.31Å; N391-N393 PolarHBondContact O-N 3.33Å; N391-N393 WeakPolarHBondContact OD1-CB 3.2Å; N391-N393 PolarHBondContact OD1-N 3.19Å; N391-L394 HydrophobicContact CB-CD1 4.31Å; N391-L394 HydrophobicContact CB-CG 4.34Å
392	L	98.6	Very high	90.6	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.01	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.2	-179.3	-54	-175.7	0	0	0	113.9	V390 L394 I399 L414 T415 L418 P447	V390-L392 HydrophobicContact CG1-CD2 4.05Å; L392-L394 PolarHBondContact O-N 2.92Å; L392-I399 HydrophobicContact CD2-CG2 4.22Å; L392-I399 WeakPolarHBondContact O-CD1 3.48Å; L392-L414 HydrophobicContact CD1-CB 3.93Å; L392-L414 HydrophobicContact CD2-CD2 4.45Å; L392-L414 HydrophobicContact CG-CB 4.27Å; L392-T415 PolarHBondContact N-O 3.3Å; L392-L418 HydrophobicContact CD1-CD2 3.5Å; L392-L418 VanDerWaalsContact CD1-CD2 3.5Å; L392-L418 HydrophobicContact CD1-CG 3.98Å; L392-P447 HydrophobicContact CD1-CG 4.33Å; L392-P447 HydrophobicContact CD2-CG 4.07Å
393	N	98.2	Very high	92.4	Very high	99 Å²	99	64.4 Å²	64.4	53%	0.529	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	27.9	177.3	-68.3	-21.9	0	0	0	112.3	N391 G416 T417	N391-N393 VanDerWaalsContact C-N 3.31Å; N391-N393 PolarHBondContact O-N 3.33Å; N391-N393 WeakPolarHBondContact OD1-CB 3.2Å; N391-N393 PolarHBondContact OD1-N 3.19Å; N393-G416 WeakPolarHBondContact OD1-CA 3.28Å; N393-T417 PolarHBondContact OD1-N 2.93Å; N393-T417 PolarHBondContact OD1-OG1 3.21Å; N393-T417 VanDerWaalsContact OD1-OG1 3.04Å
394	L	98.1	Very high	93.9	Very high	57 Å²	57	64.6 Å²	64.6	30%	0.298	35%	0.346	S	S	.	.	S	Bend	trans	-102.9	162	170.3	-62.2	177.3	0	0	0	109.9	N391 L392 M396 E398 I399	N391-L394 HydrophobicContact CB-CD1 4.31Å; N391-L394 HydrophobicContact CB-CG 4.34Å; L392-L394 PolarHBondContact O-N 2.92Å; L394-M396 PolarHBondContact O-N 2.74Å; L394-E398 HydrophobicContact CB-CB 4.17Å; L394-E398 HydrophobicContact CD1-CB 4.48Å; L394-I399 HydrophobicContact CB-CG1 3.98Å; L394-I399 WeakPolarHBondContact O-CD1 3.42Å
395	P	98	Very high	95.5	Very high	77 Å²	77	70.5 Å²	70.5	50%	0.5	36%	0.36	S	S	.	.			trans	-52.6	139	168.2	-25.9	35.3	0	0	0	111.5	K397 E398 I399	P395-K397 PolarHBondContact O-N 3.44Å; P395-E398 HydrophobicContact CB-CG 4.48Å; P395-E398 WeakPolarHBondContact O-CB 3.13Å; P395-E398 PolarHBondContact O-N 3.1Å; P395-I399 PolarHBondContact O-N 2.7Å
396	M	98.5	Very high	97	Very high	22 Å²	22	66.7 Å²	66.7	11%	0.108	34%	0.336	C	S	.	.	H	α-helix	trans	-48.8	-39.2	-176.2	-178.3	60.3	68.2	0	0	113.3	L394 E398 I399 L400 M487 I488	L394-M396 PolarHBondContact O-N 2.74Å; M396-E398 VanDerWaalsContact C-N 3.3Å; M396-E398 PolarHBondContact O-N 2.68Å; M396-I399 PolarHBondContact O-N 2.71Å; M396-L400 HydrophobicContact CG-CD1 4.02Å; M396-L400 HydrophobicContact CG-CG 4.34Å; M396-L400 VanDerWaalsContact O-CG 3.27Å; M396-L400 WeakPolarHBondContact O-CG 3.41Å; M396-L400 PolarHBondContact O-N 2.77Å; M396-L400 HydrophobicContact SD-CD1 4.46Å; M396-L400 HydrophobicContact SD-CG 4.24Å; M396-M487 HydrophobicContact CG-CB 4.26Å; M396-M487 HydrophobicContact SD-CB 4.09Å; M396-I488 HydrophobicContact SD-CD1 3.59Å; M396-I488 VanDerWaalsContact SD-CD1 3.59Å; M396-I488 HydrophobicContact SD-CG1 3.84Å
397	K	98.1	Very high	97.8	Very high	177 Å²	177	64 Å²	64	77%	0.77	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-38	177.2	-173.4	-179.7	178.7	-176.9	0	113	P395 A401	P395-K397 PolarHBondContact O-N 3.44Å; K397-A401 WeakPolarHBondContact O-CB 3.38Å; K397-A401 PolarHBondContact O-N 2.72Å
398	E	98.5	Very high	98.1	Very high	102 Å²	102	63 Å²	63	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-73.6	-41.2	178.7	-66.2	177.5	-150.5	0	0	111.2	L394 P395 M396 L400 A401 E402	L394-E398 HydrophobicContact CB-CB 4.17Å; L394-E398 HydrophobicContact CD1-CB 4.48Å; P395-E398 HydrophobicContact CB-CG 4.48Å; P395-E398 WeakPolarHBondContact O-CB 3.13Å; P395-E398 PolarHBondContact O-N 3.1Å; M396-E398 VanDerWaalsContact C-N 3.3Å; M396-E398 PolarHBondContact O-N 2.68Å; E398-L400 VanDerWaalsContact C-N 3.34Å; E398-L400 PolarHBondContact O-N 2.86Å; E398-A401 PolarHBondContact O-N 3.05Å; E398-E402 PolarHBondContact O-N 3.25Å
399	I	98.6	Very high	98	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-45.6	175.4	-51.6	171.6	0	0	0	110.2	V390 L392 L394 P395 M396 A401 E402 L403 I488	V390-I399 HydrophobicContact CG1-CG2 4.16Å; L392-I399 HydrophobicContact CD2-CG2 4.22Å; L392-I399 WeakPolarHBondContact O-CD1 3.48Å; L394-I399 HydrophobicContact CB-CG1 3.98Å; L394-I399 WeakPolarHBondContact O-CD1 3.42Å; P395-I399 PolarHBondContact O-N 2.7Å; M396-I399 PolarHBondContact O-N 2.71Å; I399-A401 PolarHBondContact O-N 3.37Å; I399-E402 PolarHBondContact O-N 3.49Å; I399-L403 HydrophobicContact CG2-CD1 4.33Å; I399-L403 WeakPolarHBondContact O-CG 3.3Å; I399-L403 PolarHBondContact O-N 2.7Å; I399-I488 HydrophobicContact CB-CD1 3.97Å; I399-I488 HydrophobicContact CG2-CD1 3.4Å
400	L	98.7	Very high	97.9	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.152	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.3	-69.9	171.9	0	0	0	111.9	M396 E398 E402 L403 S404 M487 I488 G507 F509	M396-L400 HydrophobicContact CG-CD1 4.02Å; M396-L400 HydrophobicContact CG-CG 4.34Å; M396-L400 VanDerWaalsContact O-CG 3.27Å; M396-L400 WeakPolarHBondContact O-CG 3.41Å; M396-L400 PolarHBondContact O-N 2.77Å; M396-L400 HydrophobicContact SD-CD1 4.46Å; M396-L400 HydrophobicContact SD-CG 4.24Å; E398-L400 VanDerWaalsContact C-N 3.34Å; E398-L400 PolarHBondContact O-N 2.86Å; L400-E402 VanDerWaalsContact C-N 3.31Å; L400-E402 PolarHBondContact O-N 3.03Å; L400-L403 PolarHBondContact O-N 2.76Å; L400-S404 WeakPolarHBondContact O-CB 3.49Å; L400-S404 PolarHBondContact O-N 2.93Å; L400-M487 HydrophobicContact CD1-CB 4.18Å; L400-M487 HydrophobicContact CD1-CE 4.3Å; L400-M487 HydrophobicContact CD2-CB 4.33Å; L400-I488 HydrophobicContact CD2-CD1 3.9Å; L400-I488 HydrophobicContact CD2-CG1 3.54Å; L400-I488 HydrophobicContact CG-CD1 4.32Å; L400-I488 HydrophobicContact CG-CG1 4.38Å; L400-G507 WeakPolarHBondContact CD2-O 3.33Å; L400-F509 HydrophobicContact CD2-CD2 3.52Å; L400-F509 HydrophobicContact CD2-CE2 3.85Å
401	A	98.5	Very high	97.8	Very high	62 Å²	62	62.3 Å²	62.3	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-37.8	176.6	0	0	0	0	0	112	K397 E398 I399	K397-A401 WeakPolarHBondContact O-CB 3.38Å; K397-A401 PolarHBondContact O-N 2.72Å; E398-A401 PolarHBondContact O-N 3.05Å; I399-A401 PolarHBondContact O-N 3.37Å
402	E	98.3	Very high	97.7	Very high	41 Å²	41	59 Å²	59	19%	0.192	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-50.3	173.8	-177.2	174.3	-171.5	0	0	111.6	E398 I399 L400 S404 R405 Y406	E398-E402 PolarHBondContact O-N 3.25Å; I399-E402 PolarHBondContact O-N 3.49Å; L400-E402 VanDerWaalsContact C-N 3.31Å; L400-E402 PolarHBondContact O-N 3.03Å; E402-S404 VanDerWaalsContact C-N 3.3Å; E402-S404 PolarHBondContact O-N 3.38Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 2.89Å; E402-Y406 HydrophobicContact CG-CE2 4.41Å; E402-Y406 WeakPolarHBondContact O-CD2 3.3Å; E402-Y406 WeakPolarHBondContact O-CE2 3.44Å
403	L	98.6	Very high	97.7	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-36.8	179.5	-69	177.7	0	0	0	112.5	V390 I399 L400 R405 Y406 L412 I488 F509 I554	V390-L403 HydrophobicContact CG1-CD2 4.45Å; V390-L403 HydrophobicContact CG2-CD2 4.22Å; I399-L403 HydrophobicContact CG2-CD1 4.33Å; I399-L403 WeakPolarHBondContact O-CG 3.3Å; I399-L403 PolarHBondContact O-N 2.7Å; L400-L403 PolarHBondContact O-N 2.76Å; L403-R405 PolarHBondContact O-N 3.04Å; L403-R405 VanDerWaalsContact O-N 3.1Å; L403-Y406 PolarHBondContact O-N 2.99Å; L403-Y406 VanDerWaalsContact O-N 3.08Å; L403-L412 HydrophobicContact CD2-CD1 3.69Å; L403-I488 HydrophobicContact CD1-CD1 3.71Å; L403-I488 HydrophobicContact CD1-CG1 4.14Å; L403-I488 HydrophobicContact CD1-CG2 4.25Å; L403-F509 HydrophobicContact CB-CD1 3.96Å; L403-F509 HydrophobicContact CB-CD2 4.18Å; L403-F509 HydrophobicContact CB-CE1 3.76Å; L403-F509 HydrophobicContact CB-CE2 4Å; L403-F509 HydrophobicContact CB-CG 4.18Å; L403-F509 HydrophobicContact CB-CZ 3.79Å; L403-F509 HydrophobicContact CD1-CB 4.17Å; L403-F509 HydrophobicContact CD1-CD1 4.4Å; L403-F509 HydrophobicContact CD1-CD2 4.17Å; L403-F509 HydrophobicContact CD1-CG 3.99Å; L403-I554 HydrophobicContact CD2-CD1 4.36Å
404	S	98.5	Very high	97.7	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.3	-179.3	-166.5	0	0	0	0	114	L400 E402 Y406 D558 K559	L400-S404 WeakPolarHBondContact O-CB 3.49Å; L400-S404 PolarHBondContact O-N 2.93Å; E402-S404 VanDerWaalsContact C-N 3.3Å; E402-S404 PolarHBondContact O-N 3.38Å; S404-Y406 PolarHBondContact O-N 3.49Å; S404-D558 VanDerWaalsContact CB-OD2 3.3Å; S404-D558 WeakPolarHBondContact CB-OD2 3.41Å; S404-D558 PolarHBondContact OG-OD1 2.63Å; S404-D558 PolarHBondContact OG-OD2 3.27Å; S404-K559 PolarHBondContact O-NZ 2.94Å; S404-K559 PolarHBondContact OG-NZ 2.91Å
405	R	98.2	Very high	97.7	Very high	187 Å²	187	54.4 Å²	54.4	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.9	175.9	-63.3	171	60.9	-176.6	-2.5	113.5	E402 L403	E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 2.89Å; L403-R405 PolarHBondContact O-N 3.04Å; L403-R405 VanDerWaalsContact O-N 3.1Å
406	Y	97.8	Very high	97.7	Very high	57 Å²	57	51 Å²	51	22%	0.224	25%	0.253	C	S	.	.	S	Bend	trans	-115.6	145.2	-171	-56.5	-75	0	0	0	111.6	V388 E402 L403 S404 T410	V388-Y406 HydrophobicContact CG1-CD2 4.31Å; V388-Y406 HydrophobicContact CG1-CE1 4.27Å; V388-Y406 HydrophobicContact CG1-CE2 3.59Å; V388-Y406 HydrophobicContact CG2-CD1 4.06Å; V388-Y406 HydrophobicContact CG2-CE1 3.71Å; V388-Y406 HydrophobicContact CG2-CE2 4.39Å; E402-Y406 HydrophobicContact CG-CE2 4.41Å; E402-Y406 WeakPolarHBondContact O-CD2 3.3Å; E402-Y406 WeakPolarHBondContact O-CE2 3.44Å; L403-Y406 PolarHBondContact O-N 2.99Å; L403-Y406 VanDerWaalsContact O-N 3.08Å; S404-Y406 PolarHBondContact O-N 3.49Å; Y406-T410 HydrophobicContact CD1-CG2 4.28Å; Y406-T410 HydrophobicContact CG-CG2 4.21Å
407	P	97.2	Very high	97.8	Very high	83 Å²	83	50.1 Å²	50.1	54%	0.539	25%	0.25	S	C	.	.			trans	-75	167.5	174.8	32.5	-35.8	0	0	0	111.5	T410	P407-T410 WeakPolarHBondContact CD-OG1 3.44Å; P407-T410 VanDerWaalsContact O-CB 3.3Å; P407-T410 WeakPolarHBondContact O-CB 3.36Å; P407-T410 PolarHBondContact O-N 2.68Å; P407-T410 PolarHBondContact O-OG1 2.92Å
408	I	97.2	Very high	97.8	Very high	35 Å²	35	41.8 Å²	41.8	18%	0.179	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	160.2	160.2	57.4	163.5	0	0	0	111.2	T410 I554 V555 D557 N561	I408-T410 PolarHBondContact O-N 2.82Å; I408-I554 CarbonylContact C-O 3.57Å; I408-I554 WeakPolarHBondContact CA-O 2.94Å; I408-I554 HydrophobicContact CG2-CG2 4.21Å; I408-V555 WeakPolarHBondContact CG2-O 3.5Å; I408-D557 HydrophobicContact CG2-CB 4.15Å; I408-N561 HydrophobicContact CD1-CB 4.02Å; I408-N561 HydrophobicContact CG1-CB 4.22Å; I408-N561 HydrophobicContact CG2-CB 3.87Å
409	K	94.7	Very high	97.8	Very high	104 Å²	104	36.9 Å²	36.9	45%	0.452	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	-8.3	-173.7	-39	-166.8	167.1	179.5	0	114.8	R411 I554 F563 E566	K409-R411 PolarHBondContact O-N 2.88Å; K409-I554 PolarHBondContact N-O 2.89Å; K409-F563 HydrophobicContact CB-CD2 3.96Å; K409-F563 HydrophobicContact CB-CE2 3.78Å; K409-F563 HydrophobicContact CD-CD2 4.32Å; K409-F563 HydrophobicContact CD-CE2 4.04Å; K409-F563 HydrophobicContact CD-CZ 4.45Å; K409-F563 HydrophobicContact CG-CD2 3.5Å; K409-F563 VanDerWaalsContact CG-CD2 3.5Å; K409-F563 HydrophobicContact CG-CE2 3.55Å; K409-F563 HydrophobicContact CG-CG 4.31Å; K409-F563 HydrophobicContact CG-CZ 4.41Å; K409-E566 IonicContact NZ-OE1 2.7Å
410	T	95.7	Very high	97.8	Very high	26 Å²	26	36.9 Å²	36.9	16%	0.16	19%	0.191	C	C	.	.			trans	-64.8	130.5	174.4	-56.5	0	0	0	0	111	V388 Y406 P407 I408 L412 F553 I554	V388-T410 HydrophobicContact CG2-CG2 3.83Å; Y406-T410 HydrophobicContact CD1-CG2 4.28Å; Y406-T410 HydrophobicContact CG-CG2 4.21Å; P407-T410 WeakPolarHBondContact CD-OG1 3.44Å; P407-T410 VanDerWaalsContact O-CB 3.3Å; P407-T410 WeakPolarHBondContact O-CB 3.36Å; P407-T410 PolarHBondContact O-N 2.68Å; P407-T410 PolarHBondContact O-OG1 2.92Å; I408-T410 PolarHBondContact O-N 2.82Å; T410-L412 HydrophobicContact CG2-CD2 4.07Å; T410-F553 CarbonylContact O-C 3.58Å; T410-F553 VanDerWaalsContact O-CA 3.27Å; T410-F553 WeakPolarHBondContact O-CA 3.41Å; T410-I554 PolarHBondContact O-N 2.79Å
411	R	95.6	Very high	97.8	Very high	40 Å²	40	35.5 Å²	35.5	15%	0.151	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.6	176.1	-169.4	173	55.9	163.1	5	110.8	P384 D386 V387 V388 K409 A552 F553	P384-R411 PolarHBondContact O-NH2 3.16Å; D386-R411 PolarHBondContact O-NE 2.87Å; D386-R411 PolarHBondContact O-NH2 2.94Å; V387-R411 HydrophobicContact CG1-CG 4.49Å; V387-R411 HydrophobicContact CG2-CG 4.41Å; V387-R411 VanDerWaalsContact CG2-NH2 3.3Å; V388-R411 PolarHBondContact N-O 3.23Å; K409-R411 PolarHBondContact O-N 2.88Å; R411-A552 CarbonylContact C-O 3.41Å; R411-A552 WeakPolarHBondContact CA-O 3.3Å; R411-F553 HydrophobicContact CB-CD1 3.95Å; R411-F553 HydrophobicContact CB-CE1 3.73Å; R411-F553 HydrophobicContact CB-CZ 4.38Å; R411-F553 HydrophobicContact CG-CD1 4.24Å; R411-F553 HydrophobicContact CG-CE1 3.8Å; R411-F553 HydrophobicContact CG-CE2 4.47Å; R411-F553 HydrophobicContact CG-CZ 3.93Å
412	L	97.1	Very high	97.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.3	-175	-50.9	-179	0	0	0	111.2	V388 V390 L403 T410 L414 L511 A552 I554	V388-L412 HydrophobicContact CB-CD2 3.89Å; V388-L412 HydrophobicContact CG1-CD2 4.33Å; V388-L412 CarbonylContact O-C 3.48Å; V388-L412 VanDerWaalsContact O-CA 3.29Å; V388-L412 WeakPolarHBondContact O-CA 3.48Å; V390-L412 HydrophobicContact CG2-CD1 4.47Å; V390-L412 HydrophobicContact CG2-CD2 4.09Å; L403-L412 HydrophobicContact CD2-CD1 3.69Å; T410-L412 HydrophobicContact CG2-CD2 4.07Å; L412-L414 HydrophobicContact CB-CD2 3.78Å; L412-L414 HydrophobicContact CD1-CD2 3.94Å; L412-L511 HydrophobicContact CD1-CD1 4.04Å; L412-L511 HydrophobicContact CD1-CD2 3.68Å; L412-L511 HydrophobicContact CD1-CG 4.45Å; L412-A552 HydrophobicContact CB-CB 4.46Å; L412-A552 PolarHBondContact N-O 3.19Å; L412-A552 PolarHBondContact O-N 2.97Å; L412-I554 HydrophobicContact CD1-CD1 4.47Å; L412-I554 HydrophobicContact CD1-CG1 3.79Å; L412-I554 HydrophobicContact CD2-CD1 4.31Å; L412-I554 HydrophobicContact CD2-CG1 4.22Å; L412-I554 HydrophobicContact CG-CG1 4.16Å
413	S	97.2	Very high	97.7	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.084	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.3	165.8	-179.8	0	0	0	0	107.6	V387 V388 K389 V390 D549	V387-S413 VanDerWaalsContact CG1-CB 3.48Å; V388-S413 PolarHBondContact O-N 3.46Å; K389-S413 WeakPolarHBondContact CA-O 3.45Å; V390-S413 PolarHBondContact N-O 2.76Å; S413-D549 WeakPolarHBondContact OG-CA 3.11Å; S413-D549 PolarHBondContact OG-OD1 2.76Å
414	L	98.5	Very high	97.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.6	-173.1	-45.4	176.5	0	0	0	110.4	V390 L392 L412 L490 L511 D549 F550 A552	V390-L414 HydrophobicContact CB-CD2 3.94Å; V390-L414 HydrophobicContact CG2-CD2 4.27Å; L392-L414 HydrophobicContact CD1-CB 3.93Å; L392-L414 HydrophobicContact CD2-CD2 4.45Å; L392-L414 HydrophobicContact CG-CB 4.27Å; L412-L414 HydrophobicContact CB-CD2 3.78Å; L412-L414 HydrophobicContact CD1-CD2 3.94Å; L414-L490 HydrophobicContact CD1-CD1 4.18Å; L414-L490 HydrophobicContact CD1-CD2 4.08Å; L414-L511 HydrophobicContact CD1-CD1 3.91Å; L414-L511 HydrophobicContact CD2-CD1 4.16Å; L414-D549 PolarHBondContact O-N 2.87Å; L414-F550 HydrophobicContact CB-CB 4.22Å; L414-F550 PolarHBondContact N-O 2.84Å; L414-F550 PolarHBondContact O-N 3.05Å; L414-A552 HydrophobicContact CD1-CB 3.92Å; L414-A552 HydrophobicContact CG-CB 4.3Å
415	T	98.8	Very high	97.5	Very high	50 Å²	50	33.7 Å²	33.7	31%	0.307	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.9	174.3	-65.4	0	0	0	0	110.4	V390 L392 V547 V548 D549	V390-T415 PolarHBondContact O-N 3.15Å; L392-T415 PolarHBondContact N-O 3.3Å; T415-V547 CarbonylContact C-O 3.59Å; T415-V547 WeakPolarHBondContact CA-O 3.02Å; T415-V548 HydrophobicContact CG2-CG2 4.35Å; T415-D549 PolarHBondContact OG1-N 3.26Å
416	G	98.6	Very high	97.5	Very high	4 Å²	4	24.8 Å²	24.8	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135	-152.5	177.7	0	0	0	0	0	113	N393 V547	N393-G416 WeakPolarHBondContact OD1-CA 3.28Å; G416-V547 PolarHBondContact N-O 3.37Å; G416-V547 PolarHBondContact O-N 3.01Å
417	T	98.7	Very high	97.5	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.3	-173.8	-53.7	0	0	0	0	112	N393 R544 V545	N393-T417 PolarHBondContact OD1-N 2.93Å; N393-T417 PolarHBondContact OD1-OG1 3.21Å; N393-T417 VanDerWaalsContact OD1-OG1 3.04Å; T417-R544 HydrophobicContact CG2-CG 3.74Å; T417-R544 PolarHBondContact OG1-NH2 3.16Å; T417-V545 WeakPolarHBondContact CA-O 3.42Å
418	L	98.7	Very high	97.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.1	166.3	-62.3	169.4	0	0	0	109.9	L392 P447 Y449 L490 V545 V547	L392-L418 HydrophobicContact CD1-CD2 3.5Å; L392-L418 VanDerWaalsContact CD1-CD2 3.5Å; L392-L418 HydrophobicContact CD1-CG 3.98Å; L418-P447 HydrophobicContact CD2-CB 3.71Å; L418-P447 HydrophobicContact CD2-CG 4.1Å; L418-Y449 HydrophobicContact CD1-CG 4.48Å; L418-L490 HydrophobicContact CD1-CD2 3.71Å; L418-L490 HydrophobicContact CD2-CD2 4.24Å; L418-V545 HydrophobicContact CB-CG2 3.68Å; L418-V545 HydrophobicContact CD1-CG2 4.36Å; L418-V545 PolarHBondContact N-O 2.9Å; L418-V545 PolarHBondContact O-N 2.79Å; L418-V547 HydrophobicContact CD1-CG1 3.88Å; L418-V547 HydrophobicContact CD1-CG2 3.82Å; L418-V547 HydrophobicContact CG-CG2 4.14Å
419	V	98.7	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.1	167.3	164.4	0	0	0	0	108.6	Y442 H446 P447 V448 Y449 L532 I542 W543	V419-Y442 HydrophobicContact CG1-CD2 3.69Å; V419-Y442 HydrophobicContact CG1-CE2 4.31Å; V419-Y442 HydrophobicContact CG2-CD2 4.41Å; V419-Y442 WeakPolarHBondContact CG2-O 3.4Å; V419-H446 HydrophobicContact CB-CB 4.43Å; V419-H446 HydrophobicContact CG2-CB 3.81Å; V419-P447 PolarHBondContact N-O 3.16Å; V419-V448 CarbonylContact O-C 3.52Å; V419-V448 VanDerWaalsContact O-CA 3.28Å; V419-V448 WeakPolarHBondContact O-CA 3.28Å; V419-Y449 PolarHBondContact O-N 3.39Å; V419-L532 HydrophobicContact CG2-CD1 4.07Å; V419-I542 HydrophobicContact CG1-CG2 3.96Å; V419-W543 CarbonylContact C-O 3.56Å; V419-W543 WeakPolarHBondContact CA-O 3.32Å
420	V	98.7	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.6	178.6	-167.8	0	0	0	0	109.5	Y449 A451 F465 I542 W543 V545	V420-Y449 WeakPolarHBondContact CA-O 3.37Å; V420-Y449 HydrophobicContact CG1-CD1 4.29Å; V420-Y449 VanDerWaalsContact CG1-O 3.31Å; V420-Y449 WeakPolarHBondContact CG1-O 3.37Å; V420-Y449 HydrophobicContact CG2-CD1 3.93Å; V420-A451 HydrophobicContact CG1-CB 3.96Å; V420-A451 VanDerWaalsContact CG1-O 3.22Å; V420-A451 WeakPolarHBondContact CG1-O 3.37Å; V420-F465 HydrophobicContact CB-CZ 4.22Å; V420-F465 HydrophobicContact CG1-CE2 3.84Å; V420-F465 HydrophobicContact CG1-CZ 3.8Å; V420-F465 HydrophobicContact CG2-CE1 4.47Å; V420-F465 HydrophobicContact CG2-CE2 4.43Å; V420-F465 HydrophobicContact CG2-CZ 3.8Å; V420-I542 CarbonylContact O-C 3.51Å; V420-I542 VanDerWaalsContact O-CA 3.26Å; V420-I542 WeakPolarHBondContact O-CA 3.45Å; V420-W543 HydrophobicContact CB-CB 3.83Å; V420-W543 HydrophobicContact CB-CG 4.24Å; V420-W543 HydrophobicContact CG2-CB 4Å; V420-W543 PolarHBondContact N-O 3.22Å; V420-W543 PolarHBondContact O-N 3.07Å; V420-V545 HydrophobicContact CG2-CB 4.37Å; V420-V545 HydrophobicContact CG2-CG1 3.68Å; V420-V545 HydrophobicContact CG2-CG2 3.73Å
421	A	98.3	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.			trans	-151.2	144.7	173.2	0	0	0	0	0	109.1	A425 H426 V448 Y449 Y450 I542	A421-A425 HydrophobicContact CB-CB 3.99Å; A421-H426 PolarHBondContact O-CE1 2.65Å; A421-H426 VanDerWaalsContact O-CE1 3.29Å; A421-V448 HydrophobicContact CB-CG1 4.11Å; A421-Y449 PolarHBondContact N-O 3.25Å; A421-Y449 VanDerWaalsContact N-O 3.09Å; A421-Y450 WeakPolarHBondContact O-CA 3.2Å; A421-Y450 VanDerWaalsContact O-CD1 3.31Å; A421-Y450 WeakPolarHBondContact O-CD1 3.34Å; A421-I542 HydrophobicContact CB-CG1 4.32Å
422	R	97.1	Very high	97.8	Very high	17 Å²	17	24 Å²	24	6%	0.064	12%	0.121	C	C	.	.			trans	-143	-154.7	178.6	56.3	167.4	-52.1	-172.6	-8.6	110.6	I424 A425 H426 A451 T468 R472 M539 E540	R422-I424 PolarHBondContact O-N 3.33Å; R422-A425 PolarHBondContact O-N 3.29Å; R422-A425 VanDerWaalsContact O-N 3.17Å; R422-H426 PolarHBondContact O-N 2.89Å; R422-H426 PolarHBondContact O-ND1 2.81Å; R422-A451 VanDerWaalsContact CD-O 3.25Å; R422-A451 WeakPolarHBondContact CD-O 3.39Å; R422-A451 WeakPolarHBondContact CG-O 3.45Å; R422-T468 HydrophobicContact CB-CG2 4.3Å; R422-R472 VanDerWaalsContact NH2-NH2 3.11Å; R422-M539 PolarHBondContact NH1-SD 3.24Å; R422-M539 VanDerWaalsContact NH1-SD 3.45Å; R422-E540 WeakPolarHBondContact CD-OE1 3.26Å; R422-E540 WeakPolarHBondContact CD-OE2 3.45Å; R422-E540 VanDerWaalsContact CG-OE2 3.25Å; R422-E540 WeakPolarHBondContact CG-OE2 3.19Å; R422-E540 IonicContact CZ-OE1 2.63Å; R422-E540 IonicContact NE-OE1 2.76Å; R422-E540 PolarHBondContact NE-OE1 3.07Å; R422-E540 IonicContact NE-OE2 2.78Å; R422-E540 PolarHBondContact NE-OE2 2.98Å; R422-E540 IonicContact NH1-OE1 2.77Å; R422-E540 PolarHBondContact NH1-OE1 3.18Å; R422-E540 IonicContact NH2-OE1 3.06Å; R422-E540 PolarHBondContact NH2-OE1 3.45Å
423	D	97	Very high	97.8	Very high	39 Å²	39	25.2 Å²	25.2	21%	0.209	13%	0.128	C	C	.	.	H	α-helix	trans	-40.5	-63.6	-164.1	-49	-107.4	0	0	0	114.2	H426 A427 R472 E540	D423-H426 PolarHBondContact O-N 2.97Å; D423-A427 PolarHBondContact O-N 2.9Å; D423-A427 VanDerWaalsContact O-N 3.11Å; D423-R472 IonicContact OD1-CZ 3.44Å; D423-R472 IonicContact OD1-NE 3.75Å; D423-R472 PolarHBondContact OD1-NE 2.81Å; D423-R472 IonicContact OD1-NH2 3.02Å; D423-R472 PolarHBondContact OD1-NH2 3.01Å; D423-R472 IonicContact OD2-CZ 3.38Å; D423-R472 IonicContact OD2-NE 2.76Å; D423-R472 IonicContact OD2-NH2 3.49Å; D423-R472 PolarHBondContact OD2-NH2 2.86Å; D423-E540 PolarHBondContact N-OE2 2.58Å
424	I	96	Very high	97.8	Very high	46 Å²	46	29.1 Å²	29.1	24%	0.236	15%	0.148	C	C	.	.	H	α-helix	trans	-71.2	-38.5	-175.5	-55	177.5	0	0	0	111.6	R422 H426 A427 K428 L537 E540	R422-I424 PolarHBondContact O-N 3.33Å; I424-H426 VanDerWaalsContact C-N 3.33Å; I424-H426 PolarHBondContact O-N 2.88Å; I424-A427 PolarHBondContact O-N 3.12Å; I424-K428 PolarHBondContact O-N 3.48Å; I424-L537 HydrophobicContact CB-CD1 4.16Å; I424-L537 HydrophobicContact CG2-CD1 3.66Å; I424-L537 HydrophobicContact CG2-CD2 3.77Å; I424-L537 HydrophobicContact CG2-CG 4.35Å; I424-E540 HydrophobicContact CB-CB 4.28Å; I424-E540 HydrophobicContact CD1-CB 4.24Å; I424-E540 HydrophobicContact CD1-CG 4Å; I424-E540 HydrophobicContact CG1-CB 4.44Å; I424-E540 HydrophobicContact CG1-CG 4.3Å; I424-E540 PolarHBondContact N-OE2 3.45Å
425	A	97.6	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-41.7	175.9	0	0	0	0	0	112	A421 R422 K428 I429 I542	A421-A425 HydrophobicContact CB-CB 3.99Å; R422-A425 PolarHBondContact O-N 3.29Å; R422-A425 VanDerWaalsContact O-N 3.17Å; A425-K428 PolarHBondContact O-N 3.06Å; A425-I429 VanDerWaalsContact O-CD1 3.29Å; A425-I429 WeakPolarHBondContact O-CD1 3.32Å; A425-I429 WeakPolarHBondContact O-CG1 3.46Å; A425-I429 PolarHBondContact O-N 3.08Å; A425-I542 HydrophobicContact CB-CD1 4.15Å; A425-I542 HydrophobicContact CB-CG1 3.67Å
426	H	98.3	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-41.2	175.6	-78.8	67.1	0	0	0	111.5	A421 R422 D423 I424 I429 K430 Y450 M473 Y476 F480	A421-H426 PolarHBondContact O-CE1 2.65Å; A421-H426 VanDerWaalsContact O-CE1 3.29Å; R422-H426 PolarHBondContact O-N 2.89Å; R422-H426 PolarHBondContact O-ND1 2.81Å; D423-H426 PolarHBondContact O-N 2.97Å; I424-H426 VanDerWaalsContact C-N 3.33Å; I424-H426 PolarHBondContact O-N 2.88Å; H426-I429 PolarHBondContact O-N 3.42Å; H426-K430 WeakPolarHBondContact O-CB 3.42Å; H426-K430 PolarHBondContact O-N 3.03Å; H426-Y450 AromaticContact CE1-CD1 3.73Å; H426-Y450 AromaticContact CE1-CE1 3.49Å; H426-Y450 VanDerWaalsContact CE1-CE1 3.49Å; H426-Y450 WeakPolarHBondContact CE1-CE1 3.46Å; H426-Y450 AromaticContact NE2-CE1 3.31Å; H426-Y450 VanDerWaalsContact NE2-CE1 3.31Å; H426-Y450 WeakPolarHBondContact NE2-CE1 3.42Å; H426-Y450 AromaticContact NE2-CZ 3.82Å; H426-M473 HydrophobicContact CB-CG 4.41Å; H426-Y476 HydrophobicContact CB-CD1 4.22Å; H426-Y476 HydrophobicContact CB-CD2 3.82Å; H426-Y476 HydrophobicContact CB-CE1 4.21Å; H426-Y476 HydrophobicContact CB-CE2 3.84Å; H426-Y476 HydrophobicContact CB-CG 4.03Å; H426-F480 HydrophobicContact CB-CE2 4.46Å; H426-F480 AromaticContact CD2-CE2 3.54Å
427	A	97.7	Very high	97.7	Very high	31 Å²	31	38.2 Å²	38.2	26%	0.256	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-47.5	174.3	0	0	0	0	0	111.7	D423 I424 I429 K430 E431	D423-A427 PolarHBondContact O-N 2.9Å; D423-A427 VanDerWaalsContact O-N 3.11Å; I424-A427 PolarHBondContact O-N 3.12Å; A427-I429 PolarHBondContact O-N 3.14Å; A427-K430 WeakPolarHBondContact O-CB 3.41Å; A427-K430 PolarHBondContact O-N 3.31Å; A427-E431 WeakPolarHBondContact O-CG 3.35Å; A427-E431 PolarHBondContact O-N 3.2Å
428	K	97.2	Very high	97.6	Very high	59 Å²	59	42.9 Å²	42.9	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-39.3	176.3	-71.8	-170.6	175.3	-68.7	0	113.5	I424 A425 K430 E431 R432 Y534 L537	I424-K428 PolarHBondContact O-N 3.48Å; A425-K428 PolarHBondContact O-N 3.06Å; K428-K430 VanDerWaalsContact C-N 3.32Å; K428-E431 PolarHBondContact O-N 2.74Å; K428-R432 PolarHBondContact O-N 3.31Å; K428-Y534 HydrophobicContact CB-CE2 3.83Å; K428-Y534 HydrophobicContact CD-CD1 3.77Å; K428-Y534 HydrophobicContact CD-CD2 3.93Å; K428-Y534 HydrophobicContact CD-CE1 3.67Å; K428-Y534 HydrophobicContact CD-CE2 3.82Å; K428-Y534 HydrophobicContact CD-CG 3.89Å; K428-Y534 HydrophobicContact CG-CE2 4.49Å; K428-L537 HydrophobicContact CD-CD1 4.07Å
429	I	97.8	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-38.6	175.9	-65.7	156	0	0	0	110.3	A425 H426 A427 R432 L433 M439 L443 F480 I542	A425-I429 VanDerWaalsContact O-CD1 3.29Å; A425-I429 WeakPolarHBondContact O-CD1 3.32Å; A425-I429 WeakPolarHBondContact O-CG1 3.46Å; A425-I429 PolarHBondContact O-N 3.08Å; H426-I429 PolarHBondContact O-N 3.42Å; A427-I429 PolarHBondContact O-N 3.14Å; I429-R432 WeakPolarHBondContact O-CB 3.44Å; I429-R432 PolarHBondContact O-N 3.02Å; I429-L433 WeakPolarHBondContact O-CG 3.08Å; I429-L433 PolarHBondContact O-N 3.28Å; I429-L433 VanDerWaalsContact O-N 3.07Å; I429-M439 HydrophobicContact CG2-CE 4.49Å; I429-M439 HydrophobicContact CG2-SD 4.09Å; I429-L443 HydrophobicContact CD1-CD1 3.56Å; I429-L443 HydrophobicContact CD1-CD2 3.84Å; I429-L443 HydrophobicContact CD1-CG 4.3Å; I429-L443 HydrophobicContact CG1-CD1 4.16Å; I429-L443 HydrophobicContact CG2-CD1 4.35Å; I429-F480 HydrophobicContact CB-CE2 4.21Å; I429-F480 HydrophobicContact CB-CZ 3.75Å; I429-F480 HydrophobicContact CG2-CE1 3.95Å; I429-F480 HydrophobicContact CG2-CE2 3.86Å; I429-F480 HydrophobicContact CG2-CZ 3.5Å; I429-F480 VanDerWaalsContact CG2-CZ 3.5Å; I429-I542 HydrophobicContact CD1-CD1 3.98Å; I429-I542 HydrophobicContact CG1-CD1 4.4Å
430	K	98	Very high	97.5	Very high	67 Å²	67	43.9 Å²	43.9	29%	0.291	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-47	173.3	-174	-176.8	-173.9	-53.1	0	111.4	H426 A427 K428 R432 L433 D434 Y476 F480	H426-K430 WeakPolarHBondContact O-CB 3.42Å; H426-K430 PolarHBondContact O-N 3.03Å; A427-K430 WeakPolarHBondContact O-CB 3.41Å; A427-K430 PolarHBondContact O-N 3.31Å; K428-K430 VanDerWaalsContact C-N 3.32Å; K430-R432 VanDerWaalsContact C-N 3.28Å; K430-R432 PolarHBondContact O-N 2.79Å; K430-L433 PolarHBondContact O-N 3.42Å; K430-L433 VanDerWaalsContact O-N 3.14Å; K430-D434 VanDerWaalsContact NZ-CG 3.27Å; K430-D434 IonicContact NZ-OD1 3.61Å; K430-D434 PolarHBondContact NZ-OD1 3.02Å; K430-D434 VanDerWaalsContact NZ-OD1 3.13Å; K430-D434 IonicContact NZ-OD2 3.87Å; K430-D434 PolarHBondContact NZ-OD2 3.45Å; K430-D434 WeakPolarHBondContact O-CB 3.38Å; K430-D434 VanDerWaalsContact O-CG 3.22Å; K430-D434 PolarHBondContact O-N 3.24Å; K430-Y476 HydrophobicContact CB-CD1 3.94Å; K430-Y476 HydrophobicContact CB-CE1 3.92Å; K430-Y476 HydrophobicContact CD-CD1 3.95Å; K430-Y476 HydrophobicContact CD-CE1 3.77Å; K430-Y476 HydrophobicContact CG-CD1 4.35Å; K430-Y476 HydrophobicContact CG-CE1 4.4Å; K430-F480 HydrophobicContact CB-CE1 4.21Å; K430-F480 HydrophobicContact CB-CZ 4.44Å
431	E	97.3	Very high	97.5	Very high	121 Å²	121	48.3 Å²	48.3	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-56.6	-41.2	175.6	-71.4	167.3	-172.5	0	0	112	A427 K428 D434 S435	A427-E431 WeakPolarHBondContact O-CG 3.35Å; A427-E431 PolarHBondContact O-N 3.2Å; K428-E431 PolarHBondContact O-N 2.74Å; E431-D434 PolarHBondContact O-N 3.33Å; E431-S435 WeakPolarHBondContact O-CB 3.37Å; E431-S435 PolarHBondContact O-N 2.72Å; E431-S435 PolarHBondContact O-OG 3.47Å
432	R	96.9	Very high	97.4	Very high	51 Å²	51	50.2 Å²	50.2	19%	0.192	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-51.8	173.3	-75	-176.3	176	175	-2	111.7	K428 I429 K430 D434 S435 G436 Q437 E533 Y534	K428-R432 PolarHBondContact O-N 3.31Å; I429-R432 WeakPolarHBondContact O-CB 3.44Å; I429-R432 PolarHBondContact O-N 3.02Å; K430-R432 VanDerWaalsContact C-N 3.28Å; K430-R432 PolarHBondContact O-N 2.79Å; R432-D434 PolarHBondContact O-N 2.67Å; R432-S435 CarbonylContact O-C 3.6Å; R432-S435 PolarHBondContact O-N 3.35Å; R432-S435 VanDerWaalsContact O-N 3.15Å; R432-S435 PolarHBondContact O-OG 2.95Å; R432-G436 PolarHBondContact O-N 3.1Å; R432-Q437 HydrophobicContact CB-CB 4.1Å; R432-Q437 WeakPolarHBondContact O-CB 3.25Å; R432-Q437 PolarHBondContact O-N 3.22Å; R432-E533 IonicContact CZ-OE1 3.71Å; R432-E533 VanDerWaalsContact CZ-OE1 3.28Å; R432-E533 IonicContact CZ-OE2 3.21Å; R432-E533 VanDerWaalsContact NH1-CD 3.26Å; R432-E533 IonicContact NH1-OE1 2.71Å; R432-E533 PolarHBondContact NH1-OE1 2.86Å; R432-E533 IonicContact NH1-OE2 2.7Å; R432-E533 PolarHBondContact NH1-OE2 3Å; R432-E533 VanDerWaalsContact NH2-CD 3.32Å; R432-E533 IonicContact NH2-OE1 2.68Å; R432-E533 PolarHBondContact NH2-OE1 2.82Å; R432-E533 IonicContact NH2-OE2 2.72Å; R432-Y534 PolarHBondContact NE-OH 2.88Å; R432-Y534 PolarHBondContact NH2-OH 3.22Å
433	L	97.6	Very high	97.5	Very high	26 Å²	26	49.4 Å²	49.4	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-43.8	179.1	-65.1	179.1	0	0	0	111.9	I429 K430 S435 G436 M439 Q479 F480 A483	I429-L433 WeakPolarHBondContact O-CG 3.08Å; I429-L433 PolarHBondContact O-N 3.28Å; I429-L433 VanDerWaalsContact O-N 3.07Å; K430-L433 PolarHBondContact O-N 3.42Å; K430-L433 VanDerWaalsContact O-N 3.14Å; L433-S435 PolarHBondContact O-N 3.11Å; L433-G436 PolarHBondContact O-N 3.36Å; L433-M439 HydrophobicContact CD1-CE 3.71Å; L433-M439 HydrophobicContact CD2-CB 4.24Å; L433-M439 HydrophobicContact CD2-CE 4.32Å; L433-M439 HydrophobicContact CG-CE 4.48Å; L433-Q479 HydrophobicContact CD1-CG 4.23Å; L433-F480 HydrophobicContact CD1-CD1 3.54Å; L433-F480 HydrophobicContact CD1-CE1 3.69Å; L433-A483 HydrophobicContact CD1-CB 4.4Å; L433-A483 HydrophobicContact CD2-CB 4.16Å
434	D	97.5	Very high	97.5	Very high	94 Å²	94	52.5 Å²	52.5	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-29.9	178.1	-65.6	-13.1	0	0	0	111.4	K430 E431 R432 G436 Q479	K430-D434 VanDerWaalsContact NZ-CG 3.27Å; K430-D434 IonicContact NZ-OD1 3.61Å; K430-D434 PolarHBondContact NZ-OD1 3.02Å; K430-D434 VanDerWaalsContact NZ-OD1 3.13Å; K430-D434 IonicContact NZ-OD2 3.87Å; K430-D434 PolarHBondContact NZ-OD2 3.45Å; K430-D434 WeakPolarHBondContact O-CB 3.38Å; K430-D434 VanDerWaalsContact O-CG 3.22Å; K430-D434 PolarHBondContact O-N 3.24Å; E431-D434 PolarHBondContact O-N 3.33Å; R432-D434 PolarHBondContact O-N 2.67Å; D434-G436 VanDerWaalsContact C-N 3.27Å; D434-G436 PolarHBondContact O-N 3.08Å; D434-Q479 PolarHBondContact OD1-NE2 2.9Å
435	S	97.6	Very high	97.6	Very high	76 Å²	76	54.3 Å²	54.3	53%	0.531	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	2.7	173.2	76.3	0	0	0	0	114.7	E431 R432 L433 Q437	E431-S435 WeakPolarHBondContact O-CB 3.37Å; E431-S435 PolarHBondContact O-N 2.72Å; E431-S435 PolarHBondContact O-OG 3.47Å; R432-S435 CarbonylContact O-C 3.6Å; R432-S435 PolarHBondContact O-N 3.35Å; R432-S435 VanDerWaalsContact O-N 3.15Å; R432-S435 PolarHBondContact O-OG 2.95Å; L433-S435 PolarHBondContact O-N 3.11Å; S435-Q437 PolarHBondContact OG-NE2 3.27Å
436	G	97.3	Very high	97.7	Very high	68 Å²	68	56.6 Å²	56.6	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	7.8	-179.9	0	0	0	0	0	115.2	R432 L433 D434	R432-G436 PolarHBondContact O-N 3.1Å; L433-G436 PolarHBondContact O-N 3.36Å; D434-G436 VanDerWaalsContact C-N 3.27Å; D434-G436 PolarHBondContact O-N 3.08Å
437	Q	97.7	Very high	97.7	Very high	101 Å²	101	56.7 Å²	56.7	47%	0.472	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-75.4	151.6	173.1	-64.5	177.2	43	0	0	110.8	R432 S435	R432-Q437 HydrophobicContact CB-CB 4.1Å; R432-Q437 WeakPolarHBondContact O-CB 3.25Å; R432-Q437 PolarHBondContact O-N 3.22Å; S435-Q437 PolarHBondContact OG-NE2 3.27Å
438	P	96.5	Very high	97.7	Very high	104 Å²	104	55.2 Å²	55.2	68%	0.675	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-70.7	159.5	179.5	30.2	-36	0	0	0	112.2	P440	P438-P440 WeakPolarHBondContact O-CD 3.43Å
439	M	97.9	Very high	97.8	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.03	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-59.7	125.2	167.3	178.3	60.7	70	0	0	110	I429 L433 L443 R444 F480 A483	I429-M439 HydrophobicContact CG2-CE 4.49Å; I429-M439 HydrophobicContact CG2-SD 4.09Å; L433-M439 HydrophobicContact CD1-CE 3.71Å; L433-M439 HydrophobicContact CD2-CB 4.24Å; L433-M439 HydrophobicContact CD2-CE 4.32Å; L433-M439 HydrophobicContact CG-CE 4.48Å; M439-L443 HydrophobicContact CG-CB 4.27Å; M439-L443 HydrophobicContact SD-CB 3.69Å; M439-L443 HydrophobicContact SD-CD1 4.1Å; M439-L443 HydrophobicContact SD-CD2 4.18Å; M439-L443 HydrophobicContact SD-CG 4.23Å; M439-R444 HydrophobicContact CB-CG 4.15Å; M439-R444 HydrophobicContact CG-CG 3.56Å; M439-R444 PolarHBondContact O-NE 3.01Å; M439-F480 VanDerWaalsContact CE-CA 3.45Å; M439-F480 HydrophobicContact CE-CB 3.56Å; M439-F480 HydrophobicContact CE-CD1 3.82Å; M439-F480 HydrophobicContact CE-CD2 4.22Å; M439-F480 HydrophobicContact CE-CG 3.61Å; M439-F480 WeakPolarHBondContact CE-O 3.5Å; M439-A483 HydrophobicContact CB-CB 4.01Å; M439-A483 WeakPolarHBondContact CB-O 3.48Å; M439-A483 HydrophobicContact CE-CB 4Å
440	P	97.8	Very high	97.8	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.104	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.6	140.3	-179.4	-22.6	31.4	0	0	0	113	P438 Y442 L443 R444	P438-P440 WeakPolarHBondContact O-CD 3.43Å; P440-Y442 HydrophobicContact CB-CD1 3.8Å; P440-Y442 HydrophobicContact CB-CE1 3.24Å; P440-Y442 HydrophobicContact CB-CE2 4.13Å; P440-Y442 HydrophobicContact CB-CG 4.38Å; P440-Y442 HydrophobicContact CG-CE1 4.11Å; P440-Y442 WeakPolarHBondContact CG-OH 2.93Å; P440-Y442 PolarHBondContact O-N 3.34Å; P440-Y442 VanDerWaalsContact O-N 3.13Å; P440-L443 HydrophobicContact CB-CD1 3.94Å; P440-L443 HydrophobicContact CG-CD1 3.95Å; P440-L443 PolarHBondContact O-N 2.77Å; P440-R444 PolarHBondContact O-N 3.17Å
441	D	97.7	Very high	97.9	Very high	92 Å²	92	49.4 Å²	49.4	49%	0.492	27%	0.269	S	S	.	.	H	α-helix	trans	-53.6	-37.9	-175.1	-70.9	1.3	0	0	0	113.3	L443 R444 N445	D441-L443 VanDerWaalsContact C-N 3.28Å; D441-L443 PolarHBondContact O-N 3.21Å; D441-R444 PolarHBondContact O-N 3Å; D441-R444 IonicContact OD1-CZ 3.31Å; D441-R444 IonicContact OD1-NE 3.4Å; D441-R444 IonicContact OD1-NH2 3.02Å; D441-R444 PolarHBondContact OD1-NH2 3.32Å; D441-N445 WeakPolarHBondContact O-CB 3.22Å; D441-N445 VanDerWaalsContact O-CG 3.27Å; D441-N445 PolarHBondContact O-N 3.29Å; D441-N445 PolarHBondContact O-ND2 3.23Å
442	Y	97.6	Very high	97.9	Very high	40 Å²	40	43.6 Å²	43.6	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-28.2	-179.4	60.7	-102.9	0	0	0	112.6	V419 P440 L532 E533 I542	V419-Y442 HydrophobicContact CG1-CD2 3.69Å; V419-Y442 HydrophobicContact CG1-CE2 4.31Å; V419-Y442 HydrophobicContact CG2-CD2 4.41Å; V419-Y442 WeakPolarHBondContact CG2-O 3.4Å; P440-Y442 HydrophobicContact CB-CD1 3.8Å; P440-Y442 HydrophobicContact CB-CE1 3.24Å; P440-Y442 HydrophobicContact CB-CE2 4.13Å; P440-Y442 HydrophobicContact CB-CG 4.38Å; P440-Y442 HydrophobicContact CG-CE1 4.11Å; P440-Y442 WeakPolarHBondContact CG-OH 2.93Å; P440-Y442 PolarHBondContact O-N 3.34Å; P440-Y442 VanDerWaalsContact O-N 3.13Å; Y442-L532 HydrophobicContact CG-CD1 4.32Å; Y442-E533 PolarHBondContact OH-OE2 3.09Å; Y442-I542 HydrophobicContact CD2-CG2 4.06Å; Y442-I542 HydrophobicContact CE2-CD1 3.77Å; Y442-I542 HydrophobicContact CE2-CG2 3.65Å; Y442-I542 WeakPolarHBondContact OH-CD1 3.44Å
443	L	97.9	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-81.1	-19.8	171	-75.1	109.8	0	0	0	113.6	I429 M439 P440 D441 V448 F480 G485 S486	I429-L443 HydrophobicContact CD1-CD1 3.56Å; I429-L443 HydrophobicContact CD1-CD2 3.84Å; I429-L443 HydrophobicContact CD1-CG 4.3Å; I429-L443 HydrophobicContact CG1-CD1 4.16Å; I429-L443 HydrophobicContact CG2-CD1 4.35Å; M439-L443 HydrophobicContact CG-CB 4.27Å; M439-L443 HydrophobicContact SD-CB 3.69Å; M439-L443 HydrophobicContact SD-CD1 4.1Å; M439-L443 HydrophobicContact SD-CD2 4.18Å; M439-L443 HydrophobicContact SD-CG 4.23Å; P440-L443 HydrophobicContact CB-CD1 3.94Å; P440-L443 HydrophobicContact CG-CD1 3.95Å; P440-L443 PolarHBondContact O-N 2.77Å; D441-L443 VanDerWaalsContact C-N 3.28Å; D441-L443 PolarHBondContact O-N 3.21Å; L443-V448 HydrophobicContact CD2-CG2 4.1Å; L443-V448 HydrophobicContact CG-CG2 4.34Å; L443-F480 HydrophobicContact CD2-CD2 4.21Å; L443-F480 HydrophobicContact CD2-CE2 4.3Å; L443-G485 CarbonylContact O-C 3.58Å; L443-G485 WeakPolarHBondContact O-CA 3.5Å; L443-S486 PolarHBondContact O-N 3.1Å
444	R	98	Very high	98	Very high	105 Å²	105	40.6 Å²	40.6	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-84.9	-38.2	177.9	-59.4	-165.1	-73	159.1	-1.4	111.9	M439 P440 D441 G484	M439-R444 HydrophobicContact CB-CG 4.15Å; M439-R444 HydrophobicContact CG-CG 3.56Å; M439-R444 PolarHBondContact O-NE 3.01Å; P440-R444 PolarHBondContact O-N 3.17Å; D441-R444 PolarHBondContact O-N 3Å; D441-R444 IonicContact OD1-CZ 3.31Å; D441-R444 IonicContact OD1-NE 3.4Å; D441-R444 IonicContact OD1-NH2 3.02Å; D441-R444 PolarHBondContact OD1-NH2 3.32Å; R444-G484 WeakPolarHBondContact CG-O 3.18Å
445	N	98.1	Very high	98	Very high	83 Å²	83	38.8 Å²	38.8	44%	0.444	22%	0.219	S	C	.	.	H	α-helix	trans	-93.7	-16.1	-168.5	-63.8	-22.4	0	0	0	113.9	D441	D441-N445 WeakPolarHBondContact O-CB 3.22Å; D441-N445 VanDerWaalsContact O-CG 3.27Å; D441-N445 PolarHBondContact O-N 3.29Å; D441-N445 PolarHBondContact O-ND2 3.23Å
446	H	98.5	Very high	98.1	Very high	49 Å²	49	38.3 Å²	38.3	23%	0.227	21%	0.213	C	C	.	.	S	Bend	trans	-135	151.4	-176.1	-56.9	-60.4	0	0	0	112.4	V419	V419-H446 HydrophobicContact CB-CB 4.43Å; V419-H446 HydrophobicContact CG2-CB 3.81Å
447	P	98.7	Very high	98.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.013	18%	0.181	C	C	.	.			trans	-60.4	144.1	169.5	-19.4	30.2	0	0	0	111.9	L392 L418 V419 I488	L392-P447 HydrophobicContact CD1-CG 4.33Å; L392-P447 HydrophobicContact CD2-CG 4.07Å; L418-P447 HydrophobicContact CD2-CB 3.71Å; L418-P447 HydrophobicContact CD2-CG 4.1Å; V419-P447 PolarHBondContact N-O 3.16Å; P447-I488 CarbonylContact C-O 3.51Å; P447-I488 VanDerWaalsContact CA-O 3.3Å; P447-I488 WeakPolarHBondContact CA-O 3.38Å; P447-I488 HydrophobicContact CB-CB 3.85Å; P447-I488 HydrophobicContact CB-CG2 3.81Å; P447-I488 HydrophobicContact CG-CB 4.15Å; P447-I488 HydrophobicContact CG-CD1 4.36Å; P447-I488 HydrophobicContact CG-CG2 4.17Å
448	V	98.8	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	110.7	-177.5	-170.5	0	0	0	0	110.1	V419 A421 L443 Y450 I488 M489 L490	V419-V448 CarbonylContact O-C 3.52Å; V419-V448 VanDerWaalsContact O-CA 3.28Å; V419-V448 WeakPolarHBondContact O-CA 3.28Å; A421-V448 HydrophobicContact CB-CG1 4.11Å; L443-V448 HydrophobicContact CD2-CG2 4.1Å; L443-V448 HydrophobicContact CG-CG2 4.34Å; V448-Y450 HydrophobicContact CB-CE1 4.16Å; V448-Y450 HydrophobicContact CG1-CD1 3.96Å; V448-Y450 HydrophobicContact CG1-CE1 3.68Å; V448-I488 PolarHBondContact N-O 3.08Å; V448-M489 CarbonylContact O-C 3.44Å; V448-M489 WeakPolarHBondContact O-CA 3.25Å; V448-L490 PolarHBondContact O-N 2.76Å
449	Y	98.8	Very high	97.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.1	176.2	-178.5	-140.9	0	0	0	111.3	L418 V419 V420 A421 A451 F465 G466 P467 L490 F550	L418-Y449 HydrophobicContact CD1-CG 4.48Å; V419-Y449 PolarHBondContact O-N 3.39Å; V420-Y449 WeakPolarHBondContact CA-O 3.37Å; V420-Y449 HydrophobicContact CG1-CD1 4.29Å; V420-Y449 VanDerWaalsContact CG1-O 3.31Å; V420-Y449 WeakPolarHBondContact CG1-O 3.37Å; V420-Y449 HydrophobicContact CG2-CD1 3.93Å; A421-Y449 PolarHBondContact N-O 3.25Å; A421-Y449 VanDerWaalsContact N-O 3.09Å; Y449-A451 HydrophobicContact CD1-CB 3.64Å; Y449-A451 HydrophobicContact CD2-CB 4.38Å; Y449-A451 HydrophobicContact CE1-CB 3.25Å; Y449-A451 HydrophobicContact CE2-CB 4.09Å; Y449-A451 HydrophobicContact CG-CB 4.19Å; Y449-A451 PolarHBondContact O-N 2.88Å; Y449-A451 VanDerWaalsContact O-N 3.16Å; Y449-F465 HydrophobicContact CE1-CD2 4.15Å; Y449-F465 HydrophobicContact CE1-CE2 4.27Å; Y449-F465 PolarHBondContact OH-O 2.98Å; Y449-F465 VanDerWaalsContact OH-O 3.04Å; Y449-G466 WeakPolarHBondContact OH-CA 3.34Å; Y449-G466 PolarHBondContact OH-O 2.9Å; Y449-P467 HydrophobicContact CE2-CB 3.84Å; Y449-P467 WeakPolarHBondContact OH-CA 3.4Å; Y449-P467 WeakPolarHBondContact OH-CD 3.31Å; Y449-L490 CarbonylContact C-O 3.54Å; Y449-L490 WeakPolarHBondContact CA-O 3.45Å; Y449-L490 HydrophobicContact CD2-CB 3.98Å; Y449-L490 HydrophobicContact CD2-CD2 3.64Å; Y449-L490 HydrophobicContact CD2-CG 3.63Å; Y449-L490 VanDerWaalsContact CD2-O 3.3Å; Y449-L490 WeakPolarHBondContact CD2-O 3.04Å; Y449-L490 HydrophobicContact CE2-CD2 4.1Å; Y449-L490 HydrophobicContact CE2-CG 4.06Å; Y449-L490 HydrophobicContact CG-CD2 4.19Å; Y449-F550 HydrophobicContact CE2-CZ 4.1Å; Y449-F550 AromaticContact CZ-CZ 3.89Å
450	Y	98.6	Very high	97.8	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	21%	0.213	C	C	.	.			trans	-83.3	97.8	176.5	-52.5	-20.7	0	0	0	109.8	A421 H426 V448 T468 A470 M473 M489 L490 A491	A421-Y450 WeakPolarHBondContact O-CA 3.2Å; A421-Y450 VanDerWaalsContact O-CD1 3.31Å; A421-Y450 WeakPolarHBondContact O-CD1 3.34Å; H426-Y450 AromaticContact CE1-CD1 3.73Å; H426-Y450 AromaticContact CE1-CE1 3.49Å; H426-Y450 VanDerWaalsContact CE1-CE1 3.49Å; H426-Y450 WeakPolarHBondContact CE1-CE1 3.46Å; H426-Y450 AromaticContact NE2-CE1 3.31Å; H426-Y450 VanDerWaalsContact NE2-CE1 3.31Å; H426-Y450 WeakPolarHBondContact NE2-CE1 3.42Å; H426-Y450 AromaticContact NE2-CZ 3.82Å; V448-Y450 HydrophobicContact CB-CE1 4.16Å; V448-Y450 HydrophobicContact CG1-CD1 3.96Å; V448-Y450 HydrophobicContact CG1-CE1 3.68Å; Y450-T468 WeakPolarHBondContact O-CG2 3.35Å; Y450-T468 PolarHBondContact O-N 3.34Å; Y450-A470 HydrophobicContact CD2-CB 4.44Å; Y450-M473 HydrophobicContact CD1-CE 4.44Å; Y450-M473 HydrophobicContact CD2-CB 4.22Å; Y450-M473 HydrophobicContact CD2-CE 3.47Å; Y450-M473 VanDerWaalsContact CD2-CE 3.47Å; Y450-M473 HydrophobicContact CD2-CG 4.47Å; Y450-M473 HydrophobicContact CE2-CB 3.75Å; Y450-M473 HydrophobicContact CE2-CE 4.21Å; Y450-M473 HydrophobicContact CE2-CG 4.38Å; Y450-M473 HydrophobicContact CG-CE 3.62Å; Y450-M489 HydrophobicContact CE2-CB 4.44Å; Y450-M489 VanDerWaalsContact OH-CG 3.3Å; Y450-M489 WeakPolarHBondContact OH-CG 3.46Å; Y450-M489 PolarHBondContact OH-SD 3.08Å; Y450-L490 PolarHBondContact N-O 3.37Å; Y450-A491 HydrophobicContact CD2-CB 3.48Å; Y450-A491 VanDerWaalsContact CD2-CB 3.48Å; Y450-A491 HydrophobicContact CE2-CB 4.38Å; Y450-A491 HydrophobicContact CG-CB 3.94Å
451	A	98.3	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-155.6	169.2	178.8	0	0	0	0	0	111.4	V420 R422 Y449 F465 G466	V420-A451 HydrophobicContact CG1-CB 3.96Å; V420-A451 VanDerWaalsContact CG1-O 3.22Å; V420-A451 WeakPolarHBondContact CG1-O 3.37Å; R422-A451 VanDerWaalsContact CD-O 3.25Å; R422-A451 WeakPolarHBondContact CD-O 3.39Å; R422-A451 WeakPolarHBondContact CG-O 3.45Å; Y449-A451 HydrophobicContact CD1-CB 3.64Å; Y449-A451 HydrophobicContact CD2-CB 4.38Å; Y449-A451 HydrophobicContact CE1-CB 3.25Å; Y449-A451 HydrophobicContact CE2-CB 4.09Å; Y449-A451 HydrophobicContact CG-CB 4.19Å; Y449-A451 PolarHBondContact O-N 2.88Å; Y449-A451 VanDerWaalsContact O-N 3.16Å; A451-F465 HydrophobicContact CB-CD2 3.71Å; A451-F465 HydrophobicContact CB-CE2 3.45Å; A451-F465 VanDerWaalsContact CB-CE2 3.45Å; A451-G466 WeakPolarHBondContact CB-O 3.37Å
452	G	97.7	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.			trans	-145.5	117.8	172.2	0	0	0	0	0	108.4	Q135 R174 M539	Q135-G452 WeakPolarHBondContact CG-O 3.41Å; R174-G452 PolarHBondContact NH1-O 3.48Å; G452-M539 WeakPolarHBondContact CA-O 3.42Å
453	P	98.2	Very high	97.8	Very high	9 Å²	9	39 Å²	39	6%	0.058	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-71.9	152.6	-169.9	27.2	-31.1	0	0	0	112.2	R174 F465 W543	R174-P453 WeakPolarHBondContact CD-O 3.22Å; R174-P453 WeakPolarHBondContact CG-O 3.43Å; P453-F465 HydrophobicContact CB-CB 4.48Å; P453-F465 HydrophobicContact CB-CD1 3.71Å; P453-F465 HydrophobicContact CB-CD2 3.89Å; P453-F465 HydrophobicContact CB-CE1 3.67Å; P453-F465 HydrophobicContact CB-CE2 3.85Å; P453-F465 HydrophobicContact CB-CG 3.8Å; P453-F465 HydrophobicContact CB-CZ 3.72Å; P453-F465 HydrophobicContact CG-CD1 4.49Å; P453-F465 HydrophobicContact CG-CE1 3.95Å; P453-F465 HydrophobicContact CG-CE2 4.08Å; P453-F465 HydrophobicContact CG-CZ 3.71Å; P453-W543 HydrophobicContact CG-CD2 4.28Å; P453-W543 HydrophobicContact CG-CH2 4.21Å; P453-W543 HydrophobicContact CG-CZ2 3.76Å
454	A	98.5	Very high	97.8	Very high	5 Å²	5	39 Å²	39	4%	0.041	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-74.9	167.7	157.6	0	0	0	0	0	110.5	P132 R174 T456 S464	P132-A454 HydrophobicContact CG-CB 4.13Å; R174-A454 HydrophobicContact CB-CB 4.22Å; A454-T456 PolarHBondContact O-N 3.41Å; A454-S464 PolarHBondContact N-O 2.8Å
455	K	98.3	Very high	97.9	Very high	55 Å²	55	34 Å²	34	24%	0.239	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-57.8	139.6	177.3	-74.5	-178.3	-64.4	176.4	0	110.9	Y168 T169 K171 L173 Y175 P457 G463	Y168-K455 WeakPolarHBondContact O-CE 3.44Å; Y168-K455 PolarHBondContact O-NZ 2.8Å; T169-K455 PolarHBondContact O-NZ 3.34Å; T169-K455 VanDerWaalsContact O-NZ 3.1Å; K171-K455 WeakPolarHBondContact O-CE 3.4Å; K171-K455 PolarHBondContact O-NZ 2.94Å; L173-K455 WeakPolarHBondContact O-CB 3.13Å; L173-K455 WeakPolarHBondContact O-CE 3.31Å; L173-K455 VanDerWaalsContact O-CG 3.22Å; L173-K455 WeakPolarHBondContact O-CG 3.18Å; L173-K455 PolarHBondContact O-N 3.31Å; L173-K455 VanDerWaalsContact O-N 3.15Å; Y175-K455 HydrophobicContact CE2-CD 4.21Å; Y175-K455 PolarHBondContact OH-NZ 2.94Å; K455-P457 WeakPolarHBondContact O-CD 3.29Å; K455-G463 WeakPolarHBondContact O-CA 3.43Å
456	T	98.2	Very high	97.9	Very high	67 Å²	67	30.1 Å²	30.1	41%	0.411	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-77.7	124.7	179.2	-57.5	0	0	0	0	111	A454 Y460 G463	A454-T456 PolarHBondContact O-N 3.41Å; T456-Y460 WeakPolarHBondContact CG2-O 3.32Å; T456-G463 PolarHBondContact OG1-N 2.95Å
457	P	97.8	Very high	97.8	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.026	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-61.8	153.8	171.2	-21.2	31.6	0	0	0	113	V130 L131 Y172 K455 N459 Y460	V130-P457 HydrophobicContact CG1-CB 3.63Å; V130-P457 HydrophobicContact CG1-CG 3.63Å; L131-P457 HydrophobicContact CD2-CG 3.68Å; L131-P457 HydrophobicContact CG-CG 4.36Å; Y172-P457 HydrophobicContact CD1-CB 4.3Å; Y172-P457 HydrophobicContact CD1-CG 4.45Å; Y172-P457 HydrophobicContact CD2-CB 3.64Å; Y172-P457 HydrophobicContact CD2-CG 3.76Å; Y172-P457 HydrophobicContact CE1-CB 4.36Å; Y172-P457 HydrophobicContact CE2-CB 3.68Å; Y172-P457 HydrophobicContact CE2-CG 4.32Å; Y172-P457 HydrophobicContact CG-CB 3.95Å; Y172-P457 HydrophobicContact CG-CG 3.82Å; K455-P457 WeakPolarHBondContact O-CD 3.29Å; P457-N459 PolarHBondContact O-N 2.64Å; P457-Y460 HydrophobicContact CB-CD2 3.7Å; P457-Y460 HydrophobicContact CB-CE2 4.31Å; P457-Y460 HydrophobicContact CB-CG 3.84Å; P457-Y460 HydrophobicContact CG-CD1 4.38Å; P457-Y460 HydrophobicContact CG-CD2 4.37Å; P457-Y460 HydrophobicContact CG-CG 4.07Å; P457-Y460 PolarHBondContact O-N 3.34Å; P457-Y460 VanDerWaalsContact O-N 3.16Å
458	M	94	Very high	97.8	Very high	136 Å²	136	28.3 Å²	28.3	67%	0.67	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.8	173.2	-166.6	-177.4	-54.6	0	0	109.8	Y172 Y460	Y172-M458 PolarHBondContact OH-N 3.45Å; M458-Y460 WeakPolarHBondContact O-CD2 3.43Å; M458-Y460 PolarHBondContact O-N 3.26Å
459	N	94	Very high	97.7	Very high	160 Å²	160	28.9 Å²	28.9	86%	0.856	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	14.3	-178	-48.7	-43	0	0	0	115.8	P457	P457-N459 PolarHBondContact O-N 2.64Å
460	Y	97.6	Very high	97.7	Very high	86 Å²	86	28.8 Å²	28.8	34%	0.337	15%	0.151	S	C	.	.			trans	-104.2	145.7	171.7	-79.4	-119.8	0	0	0	110.1	V130 L131 T456 P457 M458 S462	V130-Y460 HydrophobicContact CG1-CE1 4.41Å; V130-Y460 HydrophobicContact CG1-CE2 4.06Å; L131-Y460 HydrophobicContact CD1-CD1 3.96Å; L131-Y460 HydrophobicContact CD1-CE1 3.81Å; L131-Y460 HydrophobicContact CD2-CD1 4.32Å; L131-Y460 HydrophobicContact CG-CD1 4.19Å; L131-Y460 HydrophobicContact CG-CE1 4.09Å; T456-Y460 WeakPolarHBondContact CG2-O 3.32Å; P457-Y460 HydrophobicContact CB-CD2 3.7Å; P457-Y460 HydrophobicContact CB-CE2 4.31Å; P457-Y460 HydrophobicContact CB-CG 3.84Å; P457-Y460 HydrophobicContact CG-CD1 4.38Å; P457-Y460 HydrophobicContact CG-CD2 4.37Å; P457-Y460 HydrophobicContact CG-CG 4.07Å; P457-Y460 PolarHBondContact O-N 3.34Å; P457-Y460 VanDerWaalsContact O-N 3.16Å; M458-Y460 WeakPolarHBondContact O-CD2 3.43Å; M458-Y460 PolarHBondContact O-N 3.26Å; Y460-S462 PolarHBondContact O-N 2.91Å
461	P	97	Very high	97.6	Very high	55 Å²	55	30.2 Å²	30.2	36%	0.357	17%	0.165	S	C	.	.	S	Bend	trans	-68.6	-23.3	175.3	28.4	-34.8	0	0	0	112.5	I526 K527	P461-I526 WeakPolarHBondContact CG-O 3.33Å; P461-K527 WeakPolarHBondContact CB-O 3.45Å
462	S	98.2	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	18%	0.178	C	C	.	.			trans	-157.4	149.8	-174.4	-159.7	0	0	0	0	111.7	Y460 V529	Y460-S462 PolarHBondContact O-N 2.91Å; S462-V529 WeakPolarHBondContact OG-CG2 3.42Å
463	G	98.4	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-77	174.7	159.2	0	0	0	0	0	111.1	K455 T456 F465 A522	K455-G463 WeakPolarHBondContact O-CA 3.43Å; T456-G463 PolarHBondContact OG1-N 2.95Å; G463-F465 WeakPolarHBondContact O-CB 3.35Å; G463-F465 PolarHBondContact O-N 2.73Å; G463-A522 WeakPolarHBondContact O-CB 3.39Å
464	S	98.7	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.			trans	-55	128.8	176.6	-62.9	0	0	0	0	110.8	P132 Q135 A454	P132-S464 VanDerWaalsContact CD-OG 3.26Å; P132-S464 WeakPolarHBondContact CD-OG 3.28Å; P132-S464 VanDerWaalsContact O-CB 3.28Å; P132-S464 WeakPolarHBondContact O-CB 3.43Å; P132-S464 PolarHBondContact O-OG 2.79Å; Q135-S464 WeakPolarHBondContact CB-O 3.34Å; A454-S464 PolarHBondContact N-O 2.8Å
465	F	98.5	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.			trans	-147.1	57.9	-164.6	-156.6	167.1	0	0	0	112.8	V420 Y449 A451 P453 G463 A518 I526 V529 V545	V420-F465 HydrophobicContact CB-CZ 4.22Å; V420-F465 HydrophobicContact CG1-CE2 3.84Å; V420-F465 HydrophobicContact CG1-CZ 3.8Å; V420-F465 HydrophobicContact CG2-CE1 4.47Å; V420-F465 HydrophobicContact CG2-CE2 4.43Å; V420-F465 HydrophobicContact CG2-CZ 3.8Å; Y449-F465 HydrophobicContact CE1-CD2 4.15Å; Y449-F465 HydrophobicContact CE1-CE2 4.27Å; Y449-F465 PolarHBondContact OH-O 2.98Å; Y449-F465 VanDerWaalsContact OH-O 3.04Å; A451-F465 HydrophobicContact CB-CD2 3.71Å; A451-F465 HydrophobicContact CB-CE2 3.45Å; A451-F465 VanDerWaalsContact CB-CE2 3.45Å; P453-F465 HydrophobicContact CB-CB 4.48Å; P453-F465 HydrophobicContact CB-CD1 3.71Å; P453-F465 HydrophobicContact CB-CD2 3.89Å; P453-F465 HydrophobicContact CB-CE1 3.67Å; P453-F465 HydrophobicContact CB-CE2 3.85Å; P453-F465 HydrophobicContact CB-CG 3.8Å; P453-F465 HydrophobicContact CB-CZ 3.72Å; P453-F465 HydrophobicContact CG-CD1 4.49Å; P453-F465 HydrophobicContact CG-CE1 3.95Å; P453-F465 HydrophobicContact CG-CE2 4.08Å; P453-F465 HydrophobicContact CG-CZ 3.71Å; G463-F465 WeakPolarHBondContact O-CB 3.35Å; G463-F465 PolarHBondContact O-N 2.73Å; F465-A518 PolarHBondContact N-O 3.37Å; F465-I526 HydrophobicContact CB-CD1 3.49Å; F465-I526 VanDerWaalsContact CB-CD1 3.49Å; F465-I526 HydrophobicContact CD1-CD1 3.7Å; F465-I526 HydrophobicContact CG-CD1 3.81Å; F465-V529 HydrophobicContact CD1-CG2 4.33Å; F465-V529 HydrophobicContact CE1-CG1 4.18Å; F465-V529 HydrophobicContact CE1-CG2 4.21Å; F465-V545 HydrophobicContact CE1-CG1 3.73Å; F465-V545 HydrophobicContact CZ-CG1 4.31Å
466	G	98	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-80.3	171.2	173.8	0	0	0	0	0	113.8	Q135 Y449 A451	Q135-G466 VanDerWaalsContact CD-C 3.47Å; Q135-G466 WeakPolarHBondContact CG-O 3.38Å; Q135-G466 PolarHBondContact NE2-O 2.87Å; Y449-G466 WeakPolarHBondContact OH-CA 3.34Å; Y449-G466 PolarHBondContact OH-O 2.9Å; A451-G466 WeakPolarHBondContact CB-O 3.37Å
467	P	98.3	Very high	97.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-73	154.2	-176.2	30.1	-37.8	0	0	0	112.7	Q135 Y449 K492 I514	Q135-P467 PolarHBondContact NE2-O 3.2Å; Y449-P467 HydrophobicContact CE2-CB 3.84Å; Y449-P467 WeakPolarHBondContact OH-CA 3.4Å; Y449-P467 WeakPolarHBondContact OH-CD 3.31Å; P467-K492 HydrophobicContact CB-CB 3.94Å; P467-K492 HydrophobicContact CB-CG 3.92Å; P467-K492 HydrophobicContact CG-CB 3.69Å; P467-K492 HydrophobicContact CG-CD 4.42Å; P467-K492 HydrophobicContact CG-CG 3.85Å; P467-I514 WeakPolarHBondContact CD-O 3.44Å; P467-I514 WeakPolarHBondContact CG-O 3.27Å
468	T	97.7	Very high	97.6	Very high	12 Å²	12	37.1 Å²	37.1	7%	0.074	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-98.8	167.2	167.4	-151.8	0	0	0	0	111.5	R422 Y450 A470 R472 M473 K492	R422-T468 HydrophobicContact CB-CG2 4.3Å; Y450-T468 WeakPolarHBondContact O-CG2 3.35Å; Y450-T468 PolarHBondContact O-N 3.34Å; T468-A470 PolarHBondContact O-N 3.02Å; T468-R472 PolarHBondContact OG1-NH1 3.44Å; T468-R472 PolarHBondContact OG1-NH2 3.18Å; T468-M473 HydrophobicContact CG2-CE 3.73Å; T468-K492 WeakPolarHBondContact O-CG 3.37Å; T468-K492 PolarHBondContact O-N 3.38Å; T468-K492 VanDerWaalsContact O-N 3.16Å
469	T	97.1	Very high	97.8	Very high	13 Å²	13	33.4 Å²	33.4	8%	0.08	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-65	119.3	-177.8	-54.4	0	0	0	0	111.6	A251 G471 K492	A251-T469 HydrophobicContact CB-CG2 3.49Å; A251-T469 VanDerWaalsContact CB-CG2 3.49Å; A251-T469 PolarHBondContact O-OG1 3.23Å; T469-G471 PolarHBondContact O-N 3.47Å; T469-K492 WeakPolarHBondContact CA-O 3.26Å
470	A	97.9	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63	-39.2	-175.5	0	0	0	0	0	113.7	Y450 T468 R472 M473 A491 K492 R495 Y510	Y450-A470 HydrophobicContact CD2-CB 4.44Å; T468-A470 PolarHBondContact O-N 3.02Å; A470-R472 PolarHBondContact O-N 2.97Å; A470-M473 PolarHBondContact O-N 3.25Å; A470-A491 HydrophobicContact CB-CB 3.59Å; A470-K492 WeakPolarHBondContact CB-O 3.29Å; A470-K492 PolarHBondContact N-O 3.15Å; A470-R495 HydrophobicContact CB-CG 3.73Å; A470-R495 PolarHBondContact O-NH2 2.85Å; A470-Y510 HydrophobicContact CB-CE1 4.46Å; A470-Y510 HydrophobicContact CB-CE2 4Å; A470-Y510 WeakPolarHBondContact CB-OH 3.44Å
471	G	96.9	Very high	98.1	Very high	30 Å²	30	22 Å²	22	31%	0.309	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-53.9	-24.5	-176.3	0	0	0	0	0	115.3	T469 M473 D474	T469-G471 PolarHBondContact O-N 3.47Å; G471-M473 VanDerWaalsContact C-N 3.25Å; G471-M473 PolarHBondContact O-N 2.81Å; G471-D474 VanDerWaalsContact CA-OD1 3.25Å; G471-D474 WeakPolarHBondContact CA-OD1 3.47Å; G471-D474 WeakPolarHBondContact O-CB 3.4Å; G471-D474 PolarHBondContact O-N 2.78Å
472	R	96.8	Very high	98.1	Very high	71 Å²	71	25.8 Å²	25.8	27%	0.268	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-73.6	-17.5	179.5	-58.4	-162.7	-48.9	-83.2	-15.9	113.4	R422 D423 T468 A470	R422-R472 VanDerWaalsContact NH2-NH2 3.11Å; D423-R472 IonicContact OD1-CZ 3.44Å; D423-R472 IonicContact OD1-NE 3.75Å; D423-R472 PolarHBondContact OD1-NE 2.81Å; D423-R472 IonicContact OD1-NH2 3.02Å; D423-R472 PolarHBondContact OD1-NH2 3.01Å; D423-R472 IonicContact OD2-CZ 3.38Å; D423-R472 IonicContact OD2-NE 2.76Å; D423-R472 IonicContact OD2-NH2 3.49Å; D423-R472 PolarHBondContact OD2-NH2 2.86Å; T468-R472 PolarHBondContact OG1-NH1 3.44Å; T468-R472 PolarHBondContact OG1-NH2 3.18Å; A470-R472 PolarHBondContact O-N 2.97Å
473	M	98.5	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-103.3	6.4	178.3	-79.1	66.3	72.9	0	0	112.7	H426 Y450 T468 A470 G471 S475 Y476	H426-M473 HydrophobicContact CB-CG 4.41Å; Y450-M473 HydrophobicContact CD1-CE 4.44Å; Y450-M473 HydrophobicContact CD2-CB 4.22Å; Y450-M473 HydrophobicContact CD2-CE 3.47Å; Y450-M473 VanDerWaalsContact CD2-CE 3.47Å; Y450-M473 HydrophobicContact CD2-CG 4.47Å; Y450-M473 HydrophobicContact CE2-CB 3.75Å; Y450-M473 HydrophobicContact CE2-CE 4.21Å; Y450-M473 HydrophobicContact CE2-CG 4.38Å; Y450-M473 HydrophobicContact CG-CE 3.62Å; T468-M473 HydrophobicContact CG2-CE 3.73Å; A470-M473 PolarHBondContact O-N 3.25Å; G471-M473 VanDerWaalsContact C-N 3.25Å; G471-M473 PolarHBondContact O-N 2.81Å; M473-S475 VanDerWaalsContact C-N 3.26Å; M473-S475 PolarHBondContact O-N 2.78Å; M473-Y476 HydrophobicContact CB-CD2 4.2Å; M473-Y476 HydrophobicContact CG-CD2 4.31Å; M473-Y476 PolarHBondContact O-N 2.84Å
474	D	98.4	Very high	98.1	Very high	22 Å²	22	29.2 Å²	29.2	12%	0.118	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.1	-36.6	-175.7	-76.1	13	0	0	0	113.4	G471 Y476 V477 R495 S496 V499	G471-D474 VanDerWaalsContact CA-OD1 3.25Å; G471-D474 WeakPolarHBondContact CA-OD1 3.47Å; G471-D474 WeakPolarHBondContact O-CB 3.4Å; G471-D474 PolarHBondContact O-N 2.78Å; D474-Y476 PolarHBondContact O-N 2.82Å; D474-V477 PolarHBondContact O-N 2.78Å; D474-R495 IonicContact OD1-CZ 3.51Å; D474-R495 IonicContact OD1-NE 3.62Å; D474-R495 PolarHBondContact OD1-NE 3.04Å; D474-R495 IonicContact OD1-NH2 3.59Å; D474-R495 PolarHBondContact OD1-NH2 3.46Å; D474-S496 WeakPolarHBondContact OD2-CB 3.36Å; D474-S496 PolarHBondContact OD2-N 3.49Å; D474-S496 PolarHBondContact OD2-OG 2.99Å; D474-V499 HydrophobicContact CB-CG2 3.78Å; D474-V499 VanDerWaalsContact CG-CG2 3.44Å
475	S	97.8	Very high	98	Very high	91 Å²	91	29.2 Å²	29.2	64%	0.636	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-66.1	-17.5	-178.6	51.7	0	0	0	0	114.5	M473	M473-S475 VanDerWaalsContact C-N 3.26Å; M473-S475 PolarHBondContact O-N 2.78Å
476	Y	98.5	Very high	98	Very high	40 Å²	40	29.3 Å²	29.3	16%	0.157	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-93.7	-20.4	-177.7	-54.9	-79.7	0	0	0	113.1	H426 K430 M473 D474 Q479 F480	H426-Y476 HydrophobicContact CB-CD1 4.22Å; H426-Y476 HydrophobicContact CB-CD2 3.82Å; H426-Y476 HydrophobicContact CB-CE1 4.21Å; H426-Y476 HydrophobicContact CB-CE2 3.84Å; H426-Y476 HydrophobicContact CB-CG 4.03Å; K430-Y476 HydrophobicContact CB-CD1 3.94Å; K430-Y476 HydrophobicContact CB-CE1 3.92Å; K430-Y476 HydrophobicContact CD-CD1 3.95Å; K430-Y476 HydrophobicContact CD-CE1 3.77Å; K430-Y476 HydrophobicContact CG-CD1 4.35Å; K430-Y476 HydrophobicContact CG-CE1 4.4Å; M473-Y476 HydrophobicContact CB-CD2 4.2Å; M473-Y476 HydrophobicContact CG-CD2 4.31Å; M473-Y476 PolarHBondContact O-N 2.84Å; D474-Y476 PolarHBondContact O-N 2.82Å; Y476-Q479 PolarHBondContact O-N 3.42Å; Y476-F480 HydrophobicContact CD1-CE1 4.29Å; Y476-F480 HydrophobicContact CD1-CZ 4.05Å; Y476-F480 HydrophobicContact CG-CZ 4.28Å; Y476-F480 WeakPolarHBondContact O-CB 3.12Å; Y476-F480 WeakPolarHBondContact O-CD1 3.45Å; Y476-F480 VanDerWaalsContact O-CG 3.29Å; Y476-F480 WeakPolarHBondContact O-CG 3.5Å; Y476-F480 PolarHBondContact O-N 3.35Å
477	V	98.5	Very high	98	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-52.9	-163.5	179.6	0	0	0	0	113	D474 Q479 F480 Q481 M489 R495 V499 A502	D474-V477 PolarHBondContact O-N 2.78Å; V477-Q479 PolarHBondContact O-N 3.24Å; V477-F480 PolarHBondContact O-N 2.5Å; V477-Q481 HydrophobicContact CG1-CG 4.16Å; V477-Q481 WeakPolarHBondContact O-CB 3.19Å; V477-Q481 WeakPolarHBondContact O-CG 3.39Å; V477-Q481 PolarHBondContact O-N 2.72Å; V477-M489 HydrophobicContact CB-SD 4.31Å; V477-M489 HydrophobicContact CG1-CE 3.87Å; V477-M489 HydrophobicContact CG1-SD 3.68Å; V477-M489 HydrophobicContact CG2-SD 3.64Å; V477-R495 VanDerWaalsContact CG2-NH2 3.27Å; V477-V499 HydrophobicContact CB-CG2 4.45Å; V477-V499 HydrophobicContact CG1-CG1 4.26Å; V477-V499 HydrophobicContact CG2-CG1 4.37Å; V477-V499 HydrophobicContact CG2-CG2 4.04Å; V477-A502 HydrophobicContact CG1-CB 3.99Å
478	D	98.5	Very high	98.1	Very high	60 Å²	60	30.2 Å²	30.2	32%	0.321	18%	0.175	S	C	.	.	H	α-helix	trans	-62.1	-43.6	-176.6	-173.6	60.3	0	0	0	111.3	F480 Q482 A502 K505 H506	D478-F480 PolarHBondContact O-N 3.46Å; D478-Q482 WeakPolarHBondContact O-CB 3.36Å; D478-Q482 PolarHBondContact O-N 2.77Å; D478-A502 HydrophobicContact CB-CB 3.95Å; D478-K505 IonicContact OD1-NZ 3.69Å; D478-K505 PolarHBondContact OD1-NZ 2.69Å; D478-K505 VanDerWaalsContact OD1-NZ 3.12Å; D478-K505 IonicContact OD2-NZ 3.5Å; D478-K505 PolarHBondContact OD2-NZ 2.78Å; D478-H506 IonicContact OD1-CD2 2.64Å; D478-H506 PolarHBondContact OD1-CD2 3.35Å; D478-H506 IonicContact OD1-CE1 3.47Å; D478-H506 IonicContact OD1-NE2 3.43Å; D478-H506 PolarHBondContact OD1-NE2 2.93Å
479	Q	98.2	Very high	98.1	Very high	57 Å²	57	29.6 Å²	29.6	27%	0.266	17%	0.172	S	C	.	.	H	α-helix	trans	-62.6	-43	177.5	-172.8	-178.5	17.9	0	0	111.3	L433 D434 Y476 V477 A483	L433-Q479 HydrophobicContact CD1-CG 4.23Å; D434-Q479 PolarHBondContact OD1-NE2 2.9Å; Y476-Q479 PolarHBondContact O-N 3.42Å; V477-Q479 PolarHBondContact O-N 3.24Å; Q479-A483 PolarHBondContact O-N 3.1Å
480	F	98.6	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.6	-43.4	-178.6	-74.5	12.8	0	0	0	111.5	H426 I429 K430 L433 M439 L443 Y476 V477 D478 A483 G484 G485	H426-F480 HydrophobicContact CB-CE2 4.46Å; H426-F480 AromaticContact CD2-CE2 3.54Å; I429-F480 HydrophobicContact CB-CE2 4.21Å; I429-F480 HydrophobicContact CB-CZ 3.75Å; I429-F480 HydrophobicContact CG2-CE1 3.95Å; I429-F480 HydrophobicContact CG2-CE2 3.86Å; I429-F480 HydrophobicContact CG2-CZ 3.5Å; I429-F480 VanDerWaalsContact CG2-CZ 3.5Å; K430-F480 HydrophobicContact CB-CE1 4.21Å; K430-F480 HydrophobicContact CB-CZ 4.44Å; L433-F480 HydrophobicContact CD1-CD1 3.54Å; L433-F480 HydrophobicContact CD1-CE1 3.69Å; M439-F480 VanDerWaalsContact CE-CA 3.45Å; M439-F480 HydrophobicContact CE-CB 3.56Å; M439-F480 HydrophobicContact CE-CD1 3.82Å; M439-F480 HydrophobicContact CE-CD2 4.22Å; M439-F480 HydrophobicContact CE-CG 3.61Å; M439-F480 WeakPolarHBondContact CE-O 3.5Å; L443-F480 HydrophobicContact CD2-CD2 4.21Å; L443-F480 HydrophobicContact CD2-CE2 4.3Å; Y476-F480 HydrophobicContact CD1-CE1 4.29Å; Y476-F480 HydrophobicContact CD1-CZ 4.05Å; Y476-F480 HydrophobicContact CG-CZ 4.28Å; Y476-F480 WeakPolarHBondContact O-CB 3.12Å; Y476-F480 WeakPolarHBondContact O-CD1 3.45Å; Y476-F480 VanDerWaalsContact O-CG 3.29Å; Y476-F480 WeakPolarHBondContact O-CG 3.5Å; Y476-F480 PolarHBondContact O-N 3.35Å; V477-F480 PolarHBondContact O-N 2.5Å; D478-F480 PolarHBondContact O-N 3.46Å; F480-A483 CarbonylContact O-C 3.23Å; F480-A483 WeakPolarHBondContact O-CA 3.26Å; F480-A483 PolarHBondContact O-N 2.95Å; F480-A483 VanDerWaalsContact O-N 3.11Å; F480-G484 PolarHBondContact O-N 2.78Å; F480-G485 CarbonylContact C-O 3.56Å; F480-G485 VanDerWaalsContact C-O 3.23Å; F480-G485 PolarHBondContact O-N 3.47Å
481	Q	98.7	Very high	98.2	Very high	6 Å²	6	29 Å²	29	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-37.7	177.1	-71.4	-179.7	-12.9	0	0	112	V477 A483 G484 G485 S486 M487 A502 H506	V477-Q481 HydrophobicContact CG1-CG 4.16Å; V477-Q481 WeakPolarHBondContact O-CB 3.19Å; V477-Q481 WeakPolarHBondContact O-CG 3.39Å; V477-Q481 PolarHBondContact O-N 2.72Å; Q481-A483 PolarHBondContact O-N 3.04Å; Q481-G484 WeakPolarHBondContact O-CA 3.46Å; Q481-G484 PolarHBondContact O-N 3.31Å; Q481-G485 VanDerWaalsContact CA-O 3.24Å; Q481-G485 WeakPolarHBondContact CA-O 3.32Å; Q481-G485 PolarHBondContact N-O 2.86Å; Q481-S486 PolarHBondContact NE2-O 3.46Å; Q481-M487 HydrophobicContact CB-SD 4.04Å; Q481-M487 HydrophobicContact CG-SD 3.93Å; Q481-A502 PolarHBondContact OE1-O 2.82Å; Q481-H506 HydrophobicContact CB-CB 3.83Å
482	Q	98.1	Very high	98.3	Very high	136 Å²	136	28.3 Å²	28.3	64%	0.636	16%	0.157	S	C	*	.	H	α-helix	trans	-59.4	-33.1	171.9	-176.3	176.2	12.4	0	0	112.2	D478 G484	D478-Q482 WeakPolarHBondContact O-CB 3.36Å; D478-Q482 PolarHBondContact O-N 2.77Å; Q482-G484 VanDerWaalsContact C-N 3.29Å
483	A	98	Very high	98.3	Very high	40 Å²	40	25.3 Å²	25.3	33%	0.331	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	8.7	173.9	0	0	0	0	0	113.8	L433 M439 Q479 F480 Q481	L433-A483 HydrophobicContact CD1-CB 4.4Å; L433-A483 HydrophobicContact CD2-CB 4.16Å; M439-A483 HydrophobicContact CB-CB 4.01Å; M439-A483 WeakPolarHBondContact CB-O 3.48Å; M439-A483 HydrophobicContact CE-CB 4Å; Q479-A483 PolarHBondContact O-N 3.1Å; F480-A483 CarbonylContact O-C 3.23Å; F480-A483 WeakPolarHBondContact O-CA 3.26Å; F480-A483 PolarHBondContact O-N 2.95Å; F480-A483 VanDerWaalsContact O-N 3.11Å; Q481-A483 PolarHBondContact O-N 3.04Å
484	G	97.6	Very high	98.2	Very high	33 Å²	33	27.3 Å²	27.3	34%	0.34	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	10.9	177	0	0	0	0	0	115.7	R444 F480 Q481 Q482	R444-G484 WeakPolarHBondContact CG-O 3.18Å; F480-G484 PolarHBondContact O-N 2.78Å; Q481-G484 WeakPolarHBondContact O-CA 3.46Å; Q481-G484 PolarHBondContact O-N 3.31Å; Q482-G484 VanDerWaalsContact C-N 3.29Å
485	G	98.1	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.			trans	-108.3	167.3	177.7	0	0	0	0	0	113.4	L443 F480 Q481 M487	L443-G485 CarbonylContact O-C 3.58Å; L443-G485 WeakPolarHBondContact O-CA 3.5Å; F480-G485 CarbonylContact C-O 3.56Å; F480-G485 VanDerWaalsContact C-O 3.23Å; F480-G485 PolarHBondContact O-N 3.47Å; Q481-G485 VanDerWaalsContact CA-O 3.24Å; Q481-G485 WeakPolarHBondContact CA-O 3.32Å; Q481-G485 PolarHBondContact N-O 2.86Å; G485-M487 PolarHBondContact O-N 2.89Å; G485-M487 VanDerWaalsContact O-N 3.17Å
486	S	98.2	Very high	98.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	14%	0.139	C	C	.	.			trans	55.8	34.5	175.5	-168.8	0	0	0	0	113.6	L443 Q481 I488 M489	L443-S486 PolarHBondContact O-N 3.1Å; Q481-S486 PolarHBondContact NE2-O 3.46Å; S486-I488 VanDerWaalsContact C-N 3.32Å; S486-I488 PolarHBondContact O-N 3.45Å; S486-M489 VanDerWaalsContact OG-CG 3.25Å; S486-M489 WeakPolarHBondContact OG-CG 3.49Å
487	M	98.7	Very high	98	Very high	20 Å²	20	28.8 Å²	28.8	10%	0.099	16%	0.159	C	C	.	.	S	Bend	trans	-65.8	-35.3	179.3	-67.6	-51.5	-61.8	0	0	112.4	M396 L400 Q481 G485 H506 G508 F509	M396-M487 HydrophobicContact CG-CB 4.26Å; M396-M487 HydrophobicContact SD-CB 4.09Å; L400-M487 HydrophobicContact CD1-CB 4.18Å; L400-M487 HydrophobicContact CD1-CE 4.3Å; L400-M487 HydrophobicContact CD2-CB 4.33Å; Q481-M487 HydrophobicContact CB-SD 4.04Å; Q481-M487 HydrophobicContact CG-SD 3.93Å; G485-M487 PolarHBondContact O-N 2.89Å; G485-M487 VanDerWaalsContact O-N 3.17Å; M487-H506 HydrophobicContact CE-CB 4.15Å; M487-H506 WeakPolarHBondContact CE-O 3.35Å; M487-G508 CarbonylContact O-C 3.58Å; M487-G508 WeakPolarHBondContact O-CA 3.41Å; M487-F509 PolarHBondContact O-N 2.79Å
488	I	98.8	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.3	172.9	-55.8	172.2	0	0	0	107.7	M396 I399 L400 L403 P447 V448 S486 F509 L511	M396-I488 HydrophobicContact SD-CD1 3.59Å; M396-I488 VanDerWaalsContact SD-CD1 3.59Å; M396-I488 HydrophobicContact SD-CG1 3.84Å; I399-I488 HydrophobicContact CB-CD1 3.97Å; I399-I488 HydrophobicContact CG2-CD1 3.4Å; L400-I488 HydrophobicContact CD2-CD1 3.9Å; L400-I488 HydrophobicContact CD2-CG1 3.54Å; L400-I488 HydrophobicContact CG-CD1 4.32Å; L400-I488 HydrophobicContact CG-CG1 4.38Å; L403-I488 HydrophobicContact CD1-CD1 3.71Å; L403-I488 HydrophobicContact CD1-CG1 4.14Å; L403-I488 HydrophobicContact CD1-CG2 4.25Å; P447-I488 CarbonylContact C-O 3.51Å; P447-I488 VanDerWaalsContact CA-O 3.3Å; P447-I488 WeakPolarHBondContact CA-O 3.38Å; P447-I488 HydrophobicContact CB-CB 3.85Å; P447-I488 HydrophobicContact CB-CG2 3.81Å; P447-I488 HydrophobicContact CG-CB 4.15Å; P447-I488 HydrophobicContact CG-CD1 4.36Å; P447-I488 HydrophobicContact CG-CG2 4.17Å; V448-I488 PolarHBondContact N-O 3.08Å; S486-I488 VanDerWaalsContact C-N 3.32Å; S486-I488 PolarHBondContact O-N 3.45Å; I488-F509 WeakPolarHBondContact CA-O 3.42Å; I488-L511 HydrophobicContact CG2-CD1 3.83Å; I488-L511 HydrophobicContact CG2-CG 4.08Å
489	M	98.9	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.9	-179.3	-60.9	160.1	-72.4	0	0	109.4	V448 Y450 V477 S486 R495 V499 F509 Y510 L511	V448-M489 CarbonylContact O-C 3.44Å; V448-M489 WeakPolarHBondContact O-CA 3.25Å; Y450-M489 HydrophobicContact CE2-CB 4.44Å; Y450-M489 VanDerWaalsContact OH-CG 3.3Å; Y450-M489 WeakPolarHBondContact OH-CG 3.46Å; Y450-M489 PolarHBondContact OH-SD 3.08Å; V477-M489 HydrophobicContact CB-SD 4.31Å; V477-M489 HydrophobicContact CG1-CE 3.87Å; V477-M489 HydrophobicContact CG1-SD 3.68Å; V477-M489 HydrophobicContact CG2-SD 3.64Å; S486-M489 VanDerWaalsContact OG-CG 3.25Å; S486-M489 WeakPolarHBondContact OG-CG 3.49Å; M489-R495 PolarHBondContact SD-NH1 2.95Å; M489-V499 HydrophobicContact CE-CG1 4.19Å; M489-F509 WeakPolarHBondContact CE-O 3.41Å; M489-F509 PolarHBondContact N-O 2.89Å; M489-Y510 HydrophobicContact CB-CD2 4.29Å; M489-L511 PolarHBondContact O-N 3.48Å
490	L	98.8	Very high	97.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.1	177.2	178.6	68.5	0	0	0	109.3	L414 L418 V448 Y449 Y450 L511 F550 A552	L414-L490 HydrophobicContact CD1-CD1 4.18Å; L414-L490 HydrophobicContact CD1-CD2 4.08Å; L418-L490 HydrophobicContact CD1-CD2 3.71Å; L418-L490 HydrophobicContact CD2-CD2 4.24Å; V448-L490 PolarHBondContact O-N 2.76Å; Y449-L490 CarbonylContact C-O 3.54Å; Y449-L490 WeakPolarHBondContact CA-O 3.45Å; Y449-L490 HydrophobicContact CD2-CB 3.98Å; Y449-L490 HydrophobicContact CD2-CD2 3.64Å; Y449-L490 HydrophobicContact CD2-CG 3.63Å; Y449-L490 VanDerWaalsContact CD2-O 3.3Å; Y449-L490 WeakPolarHBondContact CD2-O 3.04Å; Y449-L490 HydrophobicContact CE2-CD2 4.1Å; Y449-L490 HydrophobicContact CE2-CG 4.06Å; Y449-L490 HydrophobicContact CG-CD2 4.19Å; Y450-L490 PolarHBondContact N-O 3.37Å; L490-L511 WeakPolarHBondContact CA-O 3.48Å; L490-L511 HydrophobicContact CD1-CB 3.67Å; L490-F550 HydrophobicContact CD1-CE1 4.35Å; L490-F550 HydrophobicContact CD2-CD1 4.05Å; L490-F550 HydrophobicContact CD2-CE1 3.76Å; L490-F550 HydrophobicContact CD2-CZ 4.25Å; L490-F550 HydrophobicContact CG-CE1 4.42Å; L490-A552 HydrophobicContact CD1-CB 3.78Å
491	A	98.6	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-159.2	-177.8	0	0	0	0	0	110.9	Y450 A470 Y510 L511 S513	Y450-A491 HydrophobicContact CD2-CB 3.48Å; Y450-A491 VanDerWaalsContact CD2-CB 3.48Å; Y450-A491 HydrophobicContact CE2-CB 4.38Å; Y450-A491 HydrophobicContact CG-CB 3.94Å; A470-A491 HydrophobicContact CB-CB 3.59Å; A491-Y510 HydrophobicContact CB-CE2 3.85Å; A491-L511 PolarHBondContact N-O 2.85Å; A491-L511 VanDerWaalsContact N-O 3.09Å; A491-S513 PolarHBondContact O-N 3.32Å
492	K	98.3	Very high	97.9	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.065	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-127.4	155.5	170.4	61.3	149.7	-167.1	166.3	0	112.7	A251 C253 P467 T468 T469 A470 Y510	A251-K492 VanDerWaalsContact O-CE 3.31Å; A251-K492 WeakPolarHBondContact O-CE 3.49Å; A251-K492 PolarHBondContact O-NZ 2.74Å; C253-K492 WeakPolarHBondContact SG-CD 3.31Å; C253-K492 PolarHBondContact SG-NZ 3.07Å; P467-K492 HydrophobicContact CB-CB 3.94Å; P467-K492 HydrophobicContact CB-CG 3.92Å; P467-K492 HydrophobicContact CG-CB 3.69Å; P467-K492 HydrophobicContact CG-CD 4.42Å; P467-K492 HydrophobicContact CG-CG 3.85Å; T468-K492 WeakPolarHBondContact O-CG 3.37Å; T468-K492 PolarHBondContact O-N 3.38Å; T468-K492 VanDerWaalsContact O-N 3.16Å; T469-K492 WeakPolarHBondContact CA-O 3.26Å; A470-K492 WeakPolarHBondContact CB-O 3.29Å; A470-K492 PolarHBondContact N-O 3.15Å; K492-Y510 WeakPolarHBondContact CA-OH 3.41Å
493	G	96.7	Very high	97.9	Very high	8 Å²	8	24.2 Å²	24.2	8%	0.082	15%	0.15	C	C	.	.	S	Bend	trans	92.9	161.4	175.1	0	0	0	0	0	113.9	T250 Y510	T250-G493 WeakPolarHBondContact OG1-CA 3.22Å; G493-Y510 PolarHBondContact N-OH 3.42Å; G493-Y510 VanDerWaalsContact O-CE1 3.29Å; G493-Y510 WeakPolarHBondContact O-CE1 3.37Å; G493-Y510 PolarHBondContact O-OH 2.97Å
494	N	96.4	Very high	97.9	Very high	42 Å²	42	28.7 Å²	28.7	23%	0.225	16%	0.162	C	C	.	.			trans	-68.6	155.9	170	61.3	-64.6	0	0	0	111.6	G249 T250 F564	G249-N494 WeakPolarHBondContact CA-OD1 3.29Å; T250-N494 PolarHBondContact N-OD1 3.11Å; T250-N494 PolarHBondContact OG1-N 2.85Å; T250-N494 VanDerWaalsContact OG1-N 3.14Å; N494-F564 HydrophobicContact CB-CB 3.95Å; N494-F564 HydrophobicContact CB-CD1 4.38Å; N494-F564 HydrophobicContact CB-CD2 3.66Å; N494-F564 HydrophobicContact CB-CE2 4.26Å; N494-F564 HydrophobicContact CB-CG 3.73Å
495	R	97.4	Very high	98	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.019	17%	0.172	C	C	.	.			trans	-123.2	166.4	-178.1	-56.4	-167.2	75.9	176.5	1.7	111	A470 D474 V477 M489 V499 Y510 I556	A470-R495 HydrophobicContact CB-CG 3.73Å; A470-R495 PolarHBondContact O-NH2 2.85Å; D474-R495 IonicContact OD1-CZ 3.51Å; D474-R495 IonicContact OD1-NE 3.62Å; D474-R495 PolarHBondContact OD1-NE 3.04Å; D474-R495 IonicContact OD1-NH2 3.59Å; D474-R495 PolarHBondContact OD1-NH2 3.46Å; V477-R495 VanDerWaalsContact CG2-NH2 3.27Å; M489-R495 PolarHBondContact SD-NH1 2.95Å; R495-V499 HydrophobicContact CB-CB 4.21Å; R495-V499 HydrophobicContact CB-CG2 4.23Å; R495-Y510 VanDerWaalsContact CD-CD1 3.47Å; R495-Y510 HydrophobicContact CG-CD1 3.83Å; R495-Y510 HydrophobicContact CG-CE1 3.62Å; R495-I556 HydrophobicContact CB-CD1 4.2Å
496	S	96.2	Very high	98	Very high	48 Å²	48	35.6 Å²	35.6	34%	0.336	18%	0.183	S	C	.	.			trans	-72.6	159.1	176.2	64.4	0	0	0	0	112.4	D474 A498 V499	D474-S496 WeakPolarHBondContact OD2-CB 3.36Å; D474-S496 PolarHBondContact OD2-N 3.49Å; D474-S496 PolarHBondContact OD2-OG 2.99Å; S496-A498 PolarHBondContact O-N 3.3Å; S496-A498 VanDerWaalsContact O-N 3.13Å; S496-V499 PolarHBondContact O-N 2.89Å
497	K	96.2	Very high	98	Very high	130 Å²	130	36.7 Å²	36.7	57%	0.565	20%	0.195	S	C	*	.	H	α-helix	trans	-57.1	-25.7	174.6	-170.7	175.6	-176.9	177.6	0	113.4	V499 T500 N501	K497-V499 VanDerWaalsContact C-N 3.25Å; K497-V499 PolarHBondContact O-N 3.27Å; K497-T500 PolarHBondContact O-N 3.01Å; K497-N501 VanDerWaalsContact O-CG 3.26Å; K497-N501 PolarHBondContact O-N 3.31Å; K497-N501 PolarHBondContact O-ND2 2.92Å
498	A	97.1	Very high	98	Very high	60 Å²	60	35.8 Å²	35.8	50%	0.496	19%	0.19	S	C	.	.	H	α-helix	trans	-58.5	-39.4	175.3	0	0	0	0	0	111.6	S496 N501 A502	S496-A498 PolarHBondContact O-N 3.3Å; S496-A498 VanDerWaalsContact O-N 3.13Å; A498-N501 PolarHBondContact O-N 3.46Å; A498-A502 WeakPolarHBondContact O-CB 3.35Å; A498-A502 PolarHBondContact O-N 3.08Å
499	V	98.4	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.5	-40.5	178.1	-177.4	0	0	0	0	111.4	D474 V477 M489 R495 S496 K497 N501 A502 C503 I556	D474-V499 HydrophobicContact CB-CG2 3.78Å; D474-V499 VanDerWaalsContact CG-CG2 3.44Å; V477-V499 HydrophobicContact CB-CG2 4.45Å; V477-V499 HydrophobicContact CG1-CG1 4.26Å; V477-V499 HydrophobicContact CG2-CG1 4.37Å; V477-V499 HydrophobicContact CG2-CG2 4.04Å; M489-V499 HydrophobicContact CE-CG1 4.19Å; R495-V499 HydrophobicContact CB-CB 4.21Å; R495-V499 HydrophobicContact CB-CG2 4.23Å; S496-V499 PolarHBondContact O-N 2.89Å; K497-V499 VanDerWaalsContact C-N 3.25Å; K497-V499 PolarHBondContact O-N 3.27Å; V499-N501 VanDerWaalsContact C-N 3.3Å; V499-N501 PolarHBondContact O-N 3.39Å; V499-A502 PolarHBondContact O-N 3.15Å; V499-C503 WeakPolarHBondContact O-CB 3.3Å; V499-C503 PolarHBondContact O-N 2.94Å; V499-C503 PolarHBondContact O-SG 2.87Å; V499-I556 HydrophobicContact CB-CD1 4.19Å; V499-I556 HydrophobicContact CG1-CD1 3.87Å
500	T	98.2	Very high	98	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.067	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-44	173.6	-48.1	0	0	0	0	111.3	K497 K504 I556 G560 D562	K497-T500 PolarHBondContact O-N 3.01Å; T500-K504 WeakPolarHBondContact O-CB 3.29Å; T500-K504 PolarHBondContact O-N 2.81Å; T500-K504 VanDerWaalsContact O-N 3.09Å; T500-I556 HydrophobicContact CG2-CG2 4.31Å; T500-G560 WeakPolarHBondContact CG2-O 3.41Å; T500-D562 HydrophobicContact CG2-CB 4.34Å
501	N	98.2	Very high	98	Very high	92 Å²	92	35.9 Å²	35.9	49%	0.492	19%	0.191	S	C	.	.	H	α-helix	trans	-66.8	-42.2	177.4	-68.6	-17.3	0	0	0	112	K497 A498 V499 K504 K505	K497-N501 VanDerWaalsContact O-CG 3.26Å; K497-N501 PolarHBondContact O-N 3.31Å; K497-N501 PolarHBondContact O-ND2 2.92Å; A498-N501 PolarHBondContact O-N 3.46Å; V499-N501 VanDerWaalsContact C-N 3.3Å; V499-N501 PolarHBondContact O-N 3.39Å; N501-K504 PolarHBondContact O-N 2.78Å; N501-K505 VanDerWaalsContact O-CB 3.28Å; N501-K505 WeakPolarHBondContact O-CB 3.43Å; N501-K505 PolarHBondContact O-N 2.89Å
502	A	98.7	Very high	98	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-47.9	177.5	0	0	0	0	0	111.6	V477 D478 Q481 A498 V499 K504 K505 H506	V477-A502 HydrophobicContact CG1-CB 3.99Å; D478-A502 HydrophobicContact CB-CB 3.95Å; Q481-A502 PolarHBondContact OE1-O 2.82Å; A498-A502 WeakPolarHBondContact O-CB 3.35Å; A498-A502 PolarHBondContact O-N 3.08Å; V499-A502 PolarHBondContact O-N 3.15Å; A502-K504 VanDerWaalsContact C-N 3.32Å; A502-K504 PolarHBondContact O-N 2.91Å; A502-K505 PolarHBondContact O-N 2.98Å; A502-H506 PolarHBondContact O-CD2 3.46Å; A502-H506 VanDerWaalsContact O-CD2 3.27Å; A502-H506 PolarHBondContact O-N 3.13Å
503	C	98.7	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-43.4	177.1	-68	0	0	0	0	111.6	V499 K505 G507 G508 I556	V499-C503 WeakPolarHBondContact O-CB 3.3Å; V499-C503 PolarHBondContact O-N 2.94Å; V499-C503 PolarHBondContact O-SG 2.87Å; C503-K505 PolarHBondContact O-N 3.49Å; C503-G507 CarbonylContact O-C 3.55Å; C503-G507 VanDerWaalsContact O-CA 3.29Å; C503-G507 WeakPolarHBondContact O-CA 3.35Å; C503-G507 PolarHBondContact O-N 2.89Å; C503-G508 WeakPolarHBondContact CB-O 3.4Å; C503-G508 PolarHBondContact O-N 3.06Å; C503-I556 HydrophobicContact CB-CG2 3.71Å
504	K	98.5	Very high	98	Very high	134 Å²	134	35 Å²	35	58%	0.583	19%	0.185	S	C	*	.	H	α-helix	trans	-62.3	-40.6	174	-175.5	178.7	180	173.1	0	113.1	T500 N501 A502	T500-K504 WeakPolarHBondContact O-CB 3.29Å; T500-K504 PolarHBondContact O-N 2.81Å; T500-K504 VanDerWaalsContact O-N 3.09Å; N501-K504 PolarHBondContact O-N 2.78Å; A502-K504 VanDerWaalsContact C-N 3.32Å; A502-K504 PolarHBondContact O-N 2.91Å
505	K	98.7	Very high	98	Very high	129 Å²	129	33 Å²	33	56%	0.561	17%	0.174	S	C	*	.	H	α-helix	trans	-71.2	-40.6	-176.1	177.3	-178.8	165.6	-161.7	0	112.2	D478 N501 A502 C503	D478-K505 IonicContact OD1-NZ 3.69Å; D478-K505 PolarHBondContact OD1-NZ 2.69Å; D478-K505 VanDerWaalsContact OD1-NZ 3.12Å; D478-K505 IonicContact OD2-NZ 3.5Å; D478-K505 PolarHBondContact OD2-NZ 2.78Å; N501-K505 VanDerWaalsContact O-CB 3.28Å; N501-K505 WeakPolarHBondContact O-CB 3.43Å; N501-K505 PolarHBondContact O-N 2.89Å; A502-K505 PolarHBondContact O-N 2.98Å; C503-K505 PolarHBondContact O-N 3.49Å
506	H	98.5	Very high	98	Very high	50 Å²	50	33 Å²	33	23%	0.231	18%	0.176	C	C	.	.	H	α-helix	trans	-106.6	-7.9	-172.1	-57.3	-69.1	0	0	0	114	D478 Q481 M487 A502	D478-H506 IonicContact OD1-CD2 2.64Å; D478-H506 PolarHBondContact OD1-CD2 3.35Å; D478-H506 IonicContact OD1-CE1 3.47Å; D478-H506 IonicContact OD1-NE2 3.43Å; D478-H506 PolarHBondContact OD1-NE2 2.93Å; Q481-H506 HydrophobicContact CB-CB 3.83Å; M487-H506 HydrophobicContact CE-CB 4.15Å; M487-H506 WeakPolarHBondContact CE-O 3.35Å; A502-H506 PolarHBondContact O-CD2 3.46Å; A502-H506 VanDerWaalsContact O-CD2 3.27Å; A502-H506 PolarHBondContact O-N 3.13Å
507	G	98.5	Very high	98.1	Very high	24 Å²	24	30.9 Å²	30.9	25%	0.247	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	36.7	-176.2	0	0	0	0	0	113.4	L400 C503	L400-G507 WeakPolarHBondContact CD2-O 3.33Å; C503-G507 CarbonylContact O-C 3.55Å; C503-G507 VanDerWaalsContact O-CA 3.29Å; C503-G507 WeakPolarHBondContact O-CA 3.35Å; C503-G507 PolarHBondContact O-N 2.89Å
508	G	98.6	Very high	98.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.			trans	-95.8	170.9	-178.6	0	0	0	0	0	114.2	M487 C503 D557 D558	M487-G508 CarbonylContact O-C 3.58Å; M487-G508 WeakPolarHBondContact O-CA 3.41Å; C503-G508 WeakPolarHBondContact CB-O 3.4Å; C503-G508 PolarHBondContact O-N 3.06Å; G508-D557 CarbonylContact O-C 3.47Å; G508-D558 WeakPolarHBondContact O-CA 3.29Å; G508-D558 PolarHBondContact O-N 3.11Å
509	F	98.9	Very high	98.3	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.7	178.2	-69.4	-98	0	0	0	111.9	L400 L403 M487 I488 M489 I554 I556 D557 D558	L400-F509 HydrophobicContact CD2-CD2 3.52Å; L400-F509 HydrophobicContact CD2-CE2 3.85Å; L403-F509 HydrophobicContact CB-CD1 3.96Å; L403-F509 HydrophobicContact CB-CD2 4.18Å; L403-F509 HydrophobicContact CB-CE1 3.76Å; L403-F509 HydrophobicContact CB-CE2 4Å; L403-F509 HydrophobicContact CB-CG 4.18Å; L403-F509 HydrophobicContact CB-CZ 3.79Å; L403-F509 HydrophobicContact CD1-CB 4.17Å; L403-F509 HydrophobicContact CD1-CD1 4.4Å; L403-F509 HydrophobicContact CD1-CD2 4.17Å; L403-F509 HydrophobicContact CD1-CG 3.99Å; M487-F509 PolarHBondContact O-N 2.79Å; I488-F509 WeakPolarHBondContact CA-O 3.42Å; M489-F509 WeakPolarHBondContact CE-O 3.41Å; M489-F509 PolarHBondContact N-O 2.89Å; F509-I554 HydrophobicContact CD1-CG2 4.29Å; F509-I556 WeakPolarHBondContact CA-O 3.43Å; F509-D557 HydrophobicContact CD1-CB 4.24Å; F509-D557 HydrophobicContact CE1-CB 3.91Å; F509-D558 HydrophobicContact CE1-CB 4.39Å; F509-D558 HydrophobicContact CE2-CB 3.74Å; F509-D558 HydrophobicContact CZ-CB 3.66Å; F509-D558 VanDerWaalsContact CZ-OD1 3.29Å; F509-D558 WeakPolarHBondContact CZ-OD1 3.23Å
510	Y	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.3	164	170.6	-132.6	0	0	0	110.3	A470 M489 A491 K492 G493 R495 V555 I556	A470-Y510 HydrophobicContact CB-CE1 4.46Å; A470-Y510 HydrophobicContact CB-CE2 4Å; A470-Y510 WeakPolarHBondContact CB-OH 3.44Å; M489-Y510 HydrophobicContact CB-CD2 4.29Å; A491-Y510 HydrophobicContact CB-CE2 3.85Å; K492-Y510 WeakPolarHBondContact CA-OH 3.41Å; G493-Y510 PolarHBondContact N-OH 3.42Å; G493-Y510 VanDerWaalsContact O-CE1 3.29Å; G493-Y510 WeakPolarHBondContact O-CE1 3.37Å; G493-Y510 PolarHBondContact O-OH 2.97Å; R495-Y510 VanDerWaalsContact CD-CD1 3.47Å; R495-Y510 HydrophobicContact CG-CD1 3.83Å; R495-Y510 HydrophobicContact CG-CE1 3.62Å; Y510-V555 HydrophobicContact CD1-CB 3.58Å; Y510-V555 HydrophobicContact CD1-CG1 3.54Å; Y510-V555 HydrophobicContact CD1-CG2 4.43Å; Y510-V555 HydrophobicContact CE1-CB 3.77Å; Y510-V555 HydrophobicContact CE1-CG1 3.55Å; Y510-V555 HydrophobicContact CE1-CG2 4.18Å; Y510-V555 HydrophobicContact CG-CB 4.36Å; Y510-V555 PolarHBondContact O-N 2.94Å; Y510-I556 HydrophobicContact CD1-CD1 4.1Å; Y510-I556 HydrophobicContact CD1-CG1 4.19Å; Y510-I556 PolarHBondContact N-O 2.7Å; Y510-I556 PolarHBondContact O-N 2.87Å; Y510-I556 VanDerWaalsContact O-N 3.12Å
511	L	98.8	Very high	98.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.2	176.2	-52.3	-174.6	0	0	0	110	L412 L414 I488 M489 L490 A491 A552 F553 I554	L412-L511 HydrophobicContact CD1-CD1 4.04Å; L412-L511 HydrophobicContact CD1-CD2 3.68Å; L412-L511 HydrophobicContact CD1-CG 4.45Å; L414-L511 HydrophobicContact CD1-CD1 3.91Å; L414-L511 HydrophobicContact CD2-CD1 4.16Å; I488-L511 HydrophobicContact CG2-CD1 3.83Å; I488-L511 HydrophobicContact CG2-CG 4.08Å; M489-L511 PolarHBondContact O-N 3.48Å; L490-L511 WeakPolarHBondContact CA-O 3.48Å; L490-L511 HydrophobicContact CD1-CB 3.67Å; A491-L511 PolarHBondContact N-O 2.85Å; A491-L511 VanDerWaalsContact N-O 3.09Å; L511-A552 HydrophobicContact CB-CB 4.19Å; L511-F553 CarbonylContact C-O 3.58Å; L511-F553 VanDerWaalsContact CA-O 3.23Å; L511-F553 WeakPolarHBondContact CA-O 3.08Å; L511-I554 HydrophobicContact CD2-CG1 4.02Å
512	G	98.3	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.3	175.2	0	0	0	0	0	111.4	F318 A552 F553	F318-G512 WeakPolarHBondContact CZ-O 3.41Å; G512-A552 CarbonylContact O-C 3.5Å; G512-A552 VanDerWaalsContact O-CA 3.3Å; G512-A552 WeakPolarHBondContact O-CA 3.2Å; G512-F553 PolarHBondContact N-O 3.35Å; G512-F553 PolarHBondContact O-N 3.18Å
513	S	98	Very high	98.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-81	154	165.4	177.1	0	0	0	0	110.3	A491 G515 F550	A491-S513 PolarHBondContact O-N 3.32Å; S513-G515 PolarHBondContact O-N 3.2Å; S513-F550 WeakPolarHBondContact OG-CE1 3.5Å
514	I	97	Very high	98.1	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-63.5	125	168.1	-53.1	172.9	0	0	0	108.5	F114 V115 E118 F318 P467 P517	F114-I514 HydrophobicContact CD1-CD1 4.01Å; F114-I514 HydrophobicContact CE1-CD1 3.58Å; F114-I514 HydrophobicContact CZ-CD1 4.03Å; V115-I514 HydrophobicContact CG1-CG2 4.06Å; V115-I514 HydrophobicContact CG2-CD1 4.33Å; V115-I514 HydrophobicContact CG2-CG1 4.3Å; V115-I514 HydrophobicContact CG2-CG2 4.21Å; E118-I514 HydrophobicContact CB-CD1 4.06Å; E118-I514 HydrophobicContact CG-CD1 3.85Å; F318-I514 HydrophobicContact CE2-CG1 4.08Å; P467-I514 WeakPolarHBondContact CD-O 3.44Å; P467-I514 WeakPolarHBondContact CG-O 3.27Å; I514-P517 HydrophobicContact CB-CG 3.96Å; I514-P517 HydrophobicContact CG2-CG 3.65Å
515	G	97.4	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-86.2	134.8	173.8	0	0	0	0	0	111.4	C253 Q317 S513 P517	C253-G515 VanDerWaalsContact SG-CA 3.59Å; Q317-G515 PolarHBondContact NE2-O 3.33Å; S513-G515 PolarHBondContact O-N 3.2Å; G515-P517 WeakPolarHBondContact O-CD 3.33Å
516	G	96.9	Very high	98	Very high	6 Å²	6	13.8 Å²	13.8	6%	0.062	8%	0.077	C	C	.	.	S	Bend	trans	115.3	-55.1	-178.2	0	0	0	0	0	114.2	A518	G516-A518 PolarHBondContact O-N 2.98Å
517	P	97.7	Very high	98	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.026	9%	0.087	C	C	.	.			trans	-78.4	62.1	-168.6	32.7	-36.3	0	0	0	113.7	E118 L119 N122 I514 G515 I520 L521	E118-P517 HydrophobicContact CB-CB 4.5Å; E118-P517 HydrophobicContact CB-CG 4.44Å; L119-P517 HydrophobicContact CD2-CB 4.49Å; N122-P517 HydrophobicContact CB-CB 3.67Å; N122-P517 VanDerWaalsContact OD1-CA 3.3Å; N122-P517 WeakPolarHBondContact OD1-CA 3.36Å; I514-P517 HydrophobicContact CB-CG 3.96Å; I514-P517 HydrophobicContact CG2-CG 3.65Å; G515-P517 WeakPolarHBondContact O-CD 3.33Å; P517-I520 HydrophobicContact CB-CG2 3.64Å; P517-I520 WeakPolarHBondContact O-CG2 3.45Å; P517-L521 VanDerWaalsContact O-CG 3.25Å; P517-L521 WeakPolarHBondContact O-CG 3.33Å; P517-L521 PolarHBondContact O-N 3.38Å
518	A	98.7	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-76.4	-33.8	-171	0	0	0	0	0	114.5	N122 Q135 F465 G516 A522	N122-A518 PolarHBondContact OD1-N 3.22Å; N122-A518 VanDerWaalsContact OD1-N 3.15Å; Q135-A518 HydrophobicContact CB-CB 4.17Å; Q135-A518 VanDerWaalsContact N-CB 3.27Å; F465-A518 PolarHBondContact N-O 3.37Å; G516-A518 PolarHBondContact O-N 2.98Å; A518-A522 WeakPolarHBondContact O-CB 3.37Å; A518-A522 PolarHBondContact O-N 2.84Å; A518-A522 VanDerWaalsContact O-N 3.14Å
519	A	98.6	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70.8	-44.3	-179.1	0	0	0	0	0	110.8	N122 V125 L131 A522 Q523	N122-A519 WeakPolarHBondContact OD1-CA 3.48Å; N122-A519 VanDerWaalsContact OD1-CB 3.3Å; N122-A519 WeakPolarHBondContact OD1-CB 3.31Å; N122-A519 PolarHBondContact OD1-N 2.97Å; V125-A519 HydrophobicContact CB-CB 4.19Å; V125-A519 HydrophobicContact CG1-CB 3.84Å; L131-A519 HydrophobicContact CB-CB 3.77Å; L131-A519 HydrophobicContact CD1-CB 4.45Å; A519-A522 PolarHBondContact O-N 3.47Å; A519-Q523 WeakPolarHBondContact O-CB 3.3Å; A519-Q523 PolarHBondContact O-N 2.95Å
520	I	97.6	Very high	97.9	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.067	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-37	177.5	-171.5	165.4	0	0	0	112.4	K121 N122 V125 P517 A522 Q523 N524	K121-I520 HydrophobicContact CB-CD1 3.49Å; K121-I520 VanDerWaalsContact CB-CD1 3.49Å; K121-I520 HydrophobicContact CD-CD1 3.95Å; K121-I520 HydrophobicContact CG-CD1 4.39Å; N122-I520 HydrophobicContact CB-CB 4.32Å; N122-I520 HydrophobicContact CB-CG2 3.79Å; N122-I520 PolarHBondContact OD1-N 3.29Å; N122-I520 VanDerWaalsContact OD1-N 3.12Å; V125-I520 HydrophobicContact CG2-CB 4.17Å; V125-I520 HydrophobicContact CG2-CG1 4.44Å; P517-I520 HydrophobicContact CB-CG2 3.64Å; P517-I520 WeakPolarHBondContact O-CG2 3.45Å; I520-A522 VanDerWaalsContact C-N 3.32Å; I520-A522 PolarHBondContact O-N 2.91Å; I520-Q523 PolarHBondContact O-N 2.87Å; I520-N524 VanDerWaalsContact CG1-ND2 3.33Å; I520-N524 WeakPolarHBondContact CG1-ND2 3.04Å; I520-N524 WeakPolarHBondContact O-CB 3.37Å; I520-N524 PolarHBondContact O-N 3.08Å
521	L	98	Very high	97.9	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-43.8	172.1	-75	173.3	0	0	0	111.4	P517 C525 I526 F550 P551	P517-L521 VanDerWaalsContact O-CG 3.25Å; P517-L521 WeakPolarHBondContact O-CG 3.33Å; P517-L521 PolarHBondContact O-N 3.38Å; L521-C525 HydrophobicContact CD2-CB 4.36Å; L521-C525 WeakPolarHBondContact O-CA 3.29Å; L521-C525 WeakPolarHBondContact O-CB 3.22Å; L521-C525 PolarHBondContact O-N 2.89Å; L521-I526 PolarHBondContact O-N 2.83Å; L521-I526 VanDerWaalsContact O-N 3.09Å; L521-F550 HydrophobicContact CD1-CE2 4.26Å; L521-F550 HydrophobicContact CD1-CZ 4.02Å; L521-F550 HydrophobicContact CD2-CD2 4.18Å; L521-F550 HydrophobicContact CD2-CE2 3.9Å; L521-F550 HydrophobicContact CD2-CZ 4.08Å; L521-P551 HydrophobicContact CD2-CG 4Å
522	A	98.2	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-40.6	177.3	0	0	0	0	0	112.7	L131 G463 A518 A519 I520	L131-A522 HydrophobicContact CD1-CB 4.32Å; L131-A522 HydrophobicContact CD2-CB 4.48Å; G463-A522 WeakPolarHBondContact O-CB 3.39Å; A518-A522 WeakPolarHBondContact O-CB 3.37Å; A518-A522 PolarHBondContact O-N 2.84Å; A518-A522 VanDerWaalsContact O-N 3.14Å; A519-A522 PolarHBondContact O-N 3.47Å; I520-A522 VanDerWaalsContact C-N 3.32Å; I520-A522 PolarHBondContact O-N 2.91Å
523	Q	97.2	Very high	97.8	Very high	84 Å²	84	32.7 Å²	32.7	39%	0.393	17%	0.165	S	C	.	.	H	α-helix	trans	-71	-45.3	179.8	-173.3	176.6	54.8	0	0	112.3	V125 L131 A519 I520	V125-Q523 HydrophobicContact CG1-CB 4.45Å; L131-Q523 HydrophobicContact CD1-CB 4.32Å; A519-Q523 WeakPolarHBondContact O-CB 3.3Å; A519-Q523 PolarHBondContact O-N 2.95Å; I520-Q523 PolarHBondContact O-N 2.87Å
524	N	97	Very high	97.7	Very high	82 Å²	82	34 Å²	34	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-101.3	-34.4	-167	-67.8	-13.7	0	0	0	113.6	I520 K527	I520-N524 VanDerWaalsContact CG1-ND2 3.33Å; I520-N524 WeakPolarHBondContact CG1-ND2 3.04Å; I520-N524 WeakPolarHBondContact O-CB 3.37Å; I520-N524 PolarHBondContact O-N 3.08Å; N524-K527 VanDerWaalsContact O-CE 3.3Å; N524-K527 WeakPolarHBondContact O-CE 3.33Å; N524-K527 PolarHBondContact O-NZ 3.5Å
525	C	97.8	Very high	97.7	Very high	12 Å²	12	38.1 Å²	38.1	8%	0.081	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-40.1	-169.1	-57	0	0	0	0	113.1	L521 V547 V548 D549 F550	L521-C525 HydrophobicContact CD2-CB 4.36Å; L521-C525 WeakPolarHBondContact O-CA 3.29Å; L521-C525 WeakPolarHBondContact O-CB 3.22Å; L521-C525 PolarHBondContact O-N 2.89Å; C525-V547 CarbonylContact O-C 3.52Å; C525-V547 VanDerWaalsContact O-CA 3.27Å; C525-V547 WeakPolarHBondContact O-CA 3.39Å; C525-V548 VanDerWaalsContact CA-O 3.24Å; C525-V548 WeakPolarHBondContact CA-O 3.46Å; C525-V548 WeakPolarHBondContact CB-O 3.39Å; C525-V548 PolarHBondContact O-N 3.37Å; C525-D549 PolarHBondContact SG-O 3.21Å; C525-F550 HydrophobicContact CB-CB 4.47Å; C525-F550 HydrophobicContact CB-CD2 4.07Å
526	I	98.2	Very high	97.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119	-172.8	-56.6	174.1	0	0	0	110.3	P461 F465 L521 V529 V547	P461-I526 WeakPolarHBondContact CG-O 3.33Å; F465-I526 HydrophobicContact CB-CD1 3.49Å; F465-I526 VanDerWaalsContact CB-CD1 3.49Å; F465-I526 HydrophobicContact CD1-CD1 3.7Å; F465-I526 HydrophobicContact CG-CD1 3.81Å; L521-I526 PolarHBondContact O-N 2.83Å; L521-I526 VanDerWaalsContact O-N 3.09Å; I526-V529 HydrophobicContact CG2-CG2 3.62Å; I526-V547 HydrophobicContact CG1-CG1 4.16Å
527	K	98.4	Very high	97.4	Very high	102 Å²	102	44.8 Å²	44.8	44%	0.443	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-25	-174.3	-54.3	-54.9	173.9	-174.5	0	113.4	P461 N524 E546 V548	P461-K527 WeakPolarHBondContact CB-O 3.45Å; N524-K527 VanDerWaalsContact O-CE 3.3Å; N524-K527 WeakPolarHBondContact O-CE 3.33Å; N524-K527 PolarHBondContact O-NZ 3.5Å; K527-E546 PolarHBondContact N-O 3.08Å; K527-V548 HydrophobicContact CG-CB 4.37Å; K527-V548 HydrophobicContact CG-CG2 3.77Å
528	K	98.2	Very high	97.3	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	142.3	-179.7	-162.2	-179.5	-177	-152.7	0	110.6	E530 V545 E546	K528-E530 WeakPolarHBondContact CE-OE1 3.5Å; K528-E530 WeakPolarHBondContact CE-OE2 3.2Å; K528-E530 HydrophobicContact CG-CG 4.4Å; K528-E530 IonicContact NZ-OE1 2.66Å; K528-E530 PolarHBondContact NZ-OE1 3.36Å; K528-E530 IonicContact NZ-OE2 2.97Å; K528-E530 PolarHBondContact NZ-OE2 3.04Å; K528-V545 VanDerWaalsContact O-CA 3.25Å; K528-V545 WeakPolarHBondContact O-CA 3.21Å; K528-E546 HydrophobicContact CB-CB 3.99Å; K528-E546 HydrophobicContact CB-CG 4.2Å; K528-E546 PolarHBondContact O-N 3Å
529	V	98.1	Very high	97.2	Very high	32 Å²	32	47.1 Å²	47.1	19%	0.194	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.6	175.2	-178.2	0	0	0	0	109.3	S462 F465 I526 W543 V545	S462-V529 WeakPolarHBondContact OG-CG2 3.42Å; F465-V529 HydrophobicContact CD1-CG2 4.33Å; F465-V529 HydrophobicContact CE1-CG1 4.18Å; F465-V529 HydrophobicContact CE1-CG2 4.21Å; I526-V529 HydrophobicContact CG2-CG2 3.62Å; V529-W543 HydrophobicContact CG1-CD2 4.32Å; V529-W543 HydrophobicContact CG1-CE3 3.54Å; V529-W543 HydrophobicContact CG1-CZ3 4.06Å; V529-V545 HydrophobicContact CB-CG1 4.31Å; V529-V545 HydrophobicContact CG1-CG1 4.09Å; V529-V545 HydrophobicContact CG2-CG1 3.96Å
530	E	97.6	Very high	97.1	Very high	74 Å²	74	47.6 Å²	47.6	35%	0.346	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.6	178.6	-64.4	176.4	134.5	0	0	109.7	K528 W543 R544	K528-E530 WeakPolarHBondContact CE-OE1 3.5Å; K528-E530 WeakPolarHBondContact CE-OE2 3.2Å; K528-E530 HydrophobicContact CG-CG 4.4Å; K528-E530 IonicContact NZ-OE1 2.66Å; K528-E530 PolarHBondContact NZ-OE1 3.36Å; K528-E530 IonicContact NZ-OE2 2.97Å; K528-E530 PolarHBondContact NZ-OE2 3.04Å; E530-W543 CarbonylContact O-C 3.45Å; E530-W543 WeakPolarHBondContact O-CA 3.3Å; E530-W543 WeakPolarHBondContact O-CB 3.35Å; E530-R544 PolarHBondContact N-O 2.9Å; E530-R544 PolarHBondContact O-N 2.95Å; E530-R544 IonicContact OE2-NH1 3.37Å; E530-R544 PolarHBondContact OE2-NH1 3.39Å
531	V	97.7	Very high	97.1	Very high	68 Å²	68	47 Å²	47	41%	0.412	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.2	170.4	-179	0	0	0	0	108.2	P535 A541 W543	V531-P535 HydrophobicContact CG1-CB 4.11Å; V531-A541 HydrophobicContact CG1-CB 4.3Å; V531-W543 HydrophobicContact CB-CE3 4.41Å; V531-W543 HydrophobicContact CB-CZ3 4.49Å; V531-W543 HydrophobicContact CG2-CD2 4.3Å; V531-W543 HydrophobicContact CG2-CE3 3.56Å; V531-W543 HydrophobicContact CG2-CH2 3.72Å; V531-W543 HydrophobicContact CG2-CZ2 4.42Å; V531-W543 HydrophobicContact CG2-CZ3 3.24Å
532	L	97.6	Very high	97.2	Very high	73 Å²	73	46.7 Å²	46.7	38%	0.382	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-47.3	173.1	-73.9	177.1	0	0	0	111.8	V419 Y442 I542 R544	V419-L532 HydrophobicContact CG2-CD1 4.07Å; Y442-L532 HydrophobicContact CG-CD1 4.32Å; L532-I542 HydrophobicContact CB-CG2 4.07Å; L532-I542 HydrophobicContact CD1-CG2 4.17Å; L532-I542 PolarHBondContact N-O 2.77Å; L532-R544 HydrophobicContact CD1-CB 3.76Å; L532-R544 HydrophobicContact CD2-CB 3.8Å; L532-R544 HydrophobicContact CG-CB 3.64Å
533	E	97.4	Very high	97.2	Very high	47 Å²	47	48.7 Å²	48.7	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.8	-172.5	-168	163.2	-141.8	0	0	111.8	R432 Y442 I542	R432-E533 IonicContact CZ-OE1 3.71Å; R432-E533 VanDerWaalsContact CZ-OE1 3.28Å; R432-E533 IonicContact CZ-OE2 3.21Å; R432-E533 VanDerWaalsContact NH1-CD 3.26Å; R432-E533 IonicContact NH1-OE1 2.71Å; R432-E533 PolarHBondContact NH1-OE1 2.86Å; R432-E533 IonicContact NH1-OE2 2.7Å; R432-E533 PolarHBondContact NH1-OE2 3Å; R432-E533 VanDerWaalsContact NH2-CD 3.32Å; R432-E533 IonicContact NH2-OE1 2.68Å; R432-E533 PolarHBondContact NH2-OE1 2.82Å; R432-E533 IonicContact NH2-OE2 2.72Å; Y442-E533 PolarHBondContact OH-OE2 3.09Å; E533-I542 HydrophobicContact CB-CB 4.19Å; E533-I542 HydrophobicContact CB-CD1 4.32Å; E533-I542 PolarHBondContact N-O 3.24Å; E533-I542 PolarHBondContact O-N 3.31Å
534	Y	96.5	Very high	97.2	Very high	27 Å²	27	47.7 Å²	47.7	11%	0.106	25%	0.245	C	C	.	.			trans	57.5	51.7	-178.9	-50	-53.8	0	0	0	115	K428 R432 E536 L537 A541 I542	K428-Y534 HydrophobicContact CB-CE2 3.83Å; K428-Y534 HydrophobicContact CD-CD1 3.77Å; K428-Y534 HydrophobicContact CD-CD2 3.93Å; K428-Y534 HydrophobicContact CD-CE1 3.67Å; K428-Y534 HydrophobicContact CD-CE2 3.82Å; K428-Y534 HydrophobicContact CD-CG 3.89Å; K428-Y534 HydrophobicContact CG-CE2 4.49Å; R432-Y534 PolarHBondContact NE-OH 2.88Å; R432-Y534 PolarHBondContact NH2-OH 3.22Å; Y534-E536 VanDerWaalsContact CA-OE2 3.23Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.43Å; Y534-E536 PolarHBondContact O-N 2.79Å; Y534-E536 VanDerWaalsContact O-N 3.11Å; Y534-L537 HydrophobicContact CD2-CD1 4.38Å; Y534-L537 HydrophobicContact CG-CD1 4.17Å; Y534-L537 WeakPolarHBondContact O-CB 3.35Å; Y534-L537 PolarHBondContact O-N 3.04Å; Y534-A541 WeakPolarHBondContact O-CB 3.49Å; Y534-I542 HydrophobicContact CD2-CD1 3.68Å; Y534-I542 HydrophobicContact CD2-CG1 4.01Å; Y534-I542 HydrophobicContact CE2-CD1 3.72Å
535	P	96.3	Very high	97.3	Very high	91 Å²	91	43.8 Å²	43.8	59%	0.591	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-57.1	-26.8	179.8	26.1	-35.6	0	0	0	113.4	V531 L537 G538	V531-P535 HydrophobicContact CG1-CB 4.11Å; P535-L537 PolarHBondContact O-N 3.01Å; P535-G538 PolarHBondContact O-N 3.17Å
536	E	94.1	Very high	97.4	Very high	120 Å²	120	46.3 Å²	46.3	56%	0.561	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-63.2	-19.2	177.8	72.7	-76	178.2	0	0	113.9	Y534 G538	Y534-E536 VanDerWaalsContact CA-OE2 3.23Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.43Å; Y534-E536 PolarHBondContact O-N 2.79Å; Y534-E536 VanDerWaalsContact O-N 3.11Å; E536-G538 PolarHBondContact O-N 2.74Å
537	L	95.1	Very high	97.4	Very high	26 Å²	26	46.4 Å²	46.4	14%	0.136	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-81.3	-1.7	178.6	-60.2	-176.2	0	0	0	113.5	I424 K428 Y534 P535 M539 E540	I424-L537 HydrophobicContact CB-CD1 4.16Å; I424-L537 HydrophobicContact CG2-CD1 3.66Å; I424-L537 HydrophobicContact CG2-CD2 3.77Å; I424-L537 HydrophobicContact CG2-CG 4.35Å; K428-L537 HydrophobicContact CD-CD1 4.07Å; Y534-L537 HydrophobicContact CD2-CD1 4.38Å; Y534-L537 HydrophobicContact CG-CD1 4.17Å; Y534-L537 WeakPolarHBondContact O-CB 3.35Å; Y534-L537 PolarHBondContact O-N 3.04Å; P535-L537 PolarHBondContact O-N 3.01Å; L537-M539 PolarHBondContact O-N 3.43Å; L537-E540 HydrophobicContact CB-CB 4.05Å; L537-E540 PolarHBondContact O-N 3.33Å; L537-E540 VanDerWaalsContact O-N 3.14Å
538	G	95.2	Very high	97.4	Very high	34 Å²	34	44.2 Å²	44.2	35%	0.351	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	58	-122.6	-179	0	0	0	0	0	111.1	P535 E536 E540 A541 W543	P535-G538 PolarHBondContact O-N 3.17Å; E536-G538 PolarHBondContact O-N 2.74Å; G538-E540 PolarHBondContact O-N 2.61Å; G538-E540 VanDerWaalsContact O-N 3.15Å; G538-A541 VanDerWaalsContact O-CB 3.23Å; G538-A541 WeakPolarHBondContact O-CB 3.49Å; G538-A541 PolarHBondContact O-N 3.1Å; G538-A541 VanDerWaalsContact O-N 3.09Å; G538-W543 WeakPolarHBondContact O-CZ2 3.31Å
539	M	96.3	Very high	97.3	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.089	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-65.9	-14.7	-178.6	72.2	90.8	178.1	0	0	114.7	R174 R422 G452 L537	R174-M539 HydrophobicContact CG-CB 3.92Å; R174-M539 HydrophobicContact CG-CG 3.93Å; R422-M539 PolarHBondContact NH1-SD 3.24Å; R422-M539 VanDerWaalsContact NH1-SD 3.45Å; G452-M539 WeakPolarHBondContact CA-O 3.42Å; L537-M539 PolarHBondContact O-N 3.43Å
540	E	97.4	Very high	97.3	Very high	11 Å²	11	43 Å²	43	5%	0.051	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-92.8	1.9	176.4	-65	-88.7	158	0	0	112.7	R422 D423 I424 L537 G538	R422-E540 WeakPolarHBondContact CD-OE1 3.26Å; R422-E540 WeakPolarHBondContact CD-OE2 3.45Å; R422-E540 VanDerWaalsContact CG-OE2 3.25Å; R422-E540 WeakPolarHBondContact CG-OE2 3.19Å; R422-E540 IonicContact CZ-OE1 2.63Å; R422-E540 IonicContact NE-OE1 2.76Å; R422-E540 PolarHBondContact NE-OE1 3.07Å; R422-E540 IonicContact NE-OE2 2.78Å; R422-E540 PolarHBondContact NE-OE2 2.98Å; R422-E540 IonicContact NH1-OE1 2.77Å; R422-E540 PolarHBondContact NH1-OE1 3.18Å; R422-E540 IonicContact NH2-OE1 3.06Å; R422-E540 PolarHBondContact NH2-OE1 3.45Å; D423-E540 PolarHBondContact N-OE2 2.58Å; I424-E540 HydrophobicContact CB-CB 4.28Å; I424-E540 HydrophobicContact CD1-CB 4.24Å; I424-E540 HydrophobicContact CD1-CG 4Å; I424-E540 HydrophobicContact CG1-CB 4.44Å; I424-E540 HydrophobicContact CG1-CG 4.3Å; I424-E540 PolarHBondContact N-OE2 3.45Å; L537-E540 HydrophobicContact CB-CB 4.05Å; L537-E540 PolarHBondContact O-N 3.33Å; L537-E540 VanDerWaalsContact O-N 3.14Å; G538-E540 PolarHBondContact O-N 2.61Å; G538-E540 VanDerWaalsContact O-N 3.15Å
541	A	97.8	Very high	97.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	22%	0.217	C	C	.	.	S	Bend	trans	-58.9	167.3	174.8	0	0	0	0	0	112	V531 Y534 G538 W543	V531-A541 HydrophobicContact CG1-CB 4.3Å; Y534-A541 WeakPolarHBondContact O-CB 3.49Å; G538-A541 VanDerWaalsContact O-CB 3.23Å; G538-A541 WeakPolarHBondContact O-CB 3.49Å; G538-A541 PolarHBondContact O-N 3.1Å; G538-A541 VanDerWaalsContact O-N 3.09Å; A541-W543 HydrophobicContact CB-CZ2 4.17Å; A541-W543 PolarHBondContact O-NE1 3.42Å
542	I	98.4	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.8	171.7	-59.5	177.7	0	0	0	108.2	V419 V420 A421 A425 I429 Y442 L532 E533 Y534	V419-I542 HydrophobicContact CG1-CG2 3.96Å; V420-I542 CarbonylContact O-C 3.51Å; V420-I542 VanDerWaalsContact O-CA 3.26Å; V420-I542 WeakPolarHBondContact O-CA 3.45Å; A421-I542 HydrophobicContact CB-CG1 4.32Å; A425-I542 HydrophobicContact CB-CD1 4.15Å; A425-I542 HydrophobicContact CB-CG1 3.67Å; I429-I542 HydrophobicContact CD1-CD1 3.98Å; I429-I542 HydrophobicContact CG1-CD1 4.4Å; Y442-I542 HydrophobicContact CD2-CG2 4.06Å; Y442-I542 HydrophobicContact CE2-CD1 3.77Å; Y442-I542 HydrophobicContact CE2-CG2 3.65Å; Y442-I542 WeakPolarHBondContact OH-CD1 3.44Å; L532-I542 HydrophobicContact CB-CG2 4.07Å; L532-I542 HydrophobicContact CD1-CG2 4.17Å; L532-I542 PolarHBondContact N-O 2.77Å; E533-I542 HydrophobicContact CB-CB 4.19Å; E533-I542 HydrophobicContact CB-CD1 4.32Å; E533-I542 PolarHBondContact N-O 3.24Å; E533-I542 PolarHBondContact O-N 3.31Å; Y534-I542 HydrophobicContact CD2-CD1 3.68Å; Y534-I542 HydrophobicContact CD2-CG1 4.01Å; Y534-I542 HydrophobicContact CE2-CD1 3.72Å
543	W	98.6	Very high	97.3	Very high	41 Å²	41	33.9 Å²	33.9	16%	0.155	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	152.8	-177.8	-45	74.7	0	0	0	111.5	V419 V420 P453 V529 E530 V531 G538 A541 V545	V419-W543 CarbonylContact C-O 3.56Å; V419-W543 WeakPolarHBondContact CA-O 3.32Å; V420-W543 HydrophobicContact CB-CB 3.83Å; V420-W543 HydrophobicContact CB-CG 4.24Å; V420-W543 HydrophobicContact CG2-CB 4Å; V420-W543 PolarHBondContact N-O 3.22Å; V420-W543 PolarHBondContact O-N 3.07Å; P453-W543 HydrophobicContact CG-CD2 4.28Å; P453-W543 HydrophobicContact CG-CH2 4.21Å; P453-W543 HydrophobicContact CG-CZ2 3.76Å; V529-W543 HydrophobicContact CG1-CD2 4.32Å; V529-W543 HydrophobicContact CG1-CE3 3.54Å; V529-W543 HydrophobicContact CG1-CZ3 4.06Å; E530-W543 CarbonylContact O-C 3.45Å; E530-W543 WeakPolarHBondContact O-CA 3.3Å; E530-W543 WeakPolarHBondContact O-CB 3.35Å; V531-W543 HydrophobicContact CB-CE3 4.41Å; V531-W543 HydrophobicContact CB-CZ3 4.49Å; V531-W543 HydrophobicContact CG2-CD2 4.3Å; V531-W543 HydrophobicContact CG2-CE3 3.56Å; V531-W543 HydrophobicContact CG2-CH2 3.72Å; V531-W543 HydrophobicContact CG2-CZ2 4.42Å; V531-W543 HydrophobicContact CG2-CZ3 3.24Å; G538-W543 WeakPolarHBondContact O-CZ2 3.31Å; A541-W543 HydrophobicContact CB-CZ2 4.17Å; A541-W543 PolarHBondContact O-NE1 3.42Å; W543-V545 HydrophobicContact CB-CG1 4.39Å
544	R	98.5	Very high	97.3	Very high	63 Å²	63	31.7 Å²	31.7	24%	0.238	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.7	162	-174.5	173.1	175	-87.8	-13.3	107.7	T417 E530 L532 E546	T417-R544 HydrophobicContact CG2-CG 3.74Å; T417-R544 PolarHBondContact OG1-NH2 3.16Å; E530-R544 PolarHBondContact N-O 2.9Å; E530-R544 PolarHBondContact O-N 2.95Å; E530-R544 IonicContact OE2-NH1 3.37Å; E530-R544 PolarHBondContact OE2-NH1 3.39Å; L532-R544 HydrophobicContact CD1-CB 3.76Å; L532-R544 HydrophobicContact CD2-CB 3.8Å; L532-R544 HydrophobicContact CG-CB 3.64Å; R544-E546 IonicContact CZ-OE1 3.36Å; R544-E546 IonicContact NH1-OE1 3.2Å; R544-E546 PolarHBondContact NH1-OE1 2.85Å; R544-E546 IonicContact NH2-OE1 2.71Å; R544-E546 PolarHBondContact NH2-OE1 2.85Å
545	V	98.4	Very high	97.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.2	176.6	-56.9	0	0	0	0	111.1	T417 L418 V420 F465 K528 V529 W543 V547	T417-V545 WeakPolarHBondContact CA-O 3.42Å; L418-V545 HydrophobicContact CB-CG2 3.68Å; L418-V545 HydrophobicContact CD1-CG2 4.36Å; L418-V545 PolarHBondContact N-O 2.9Å; L418-V545 PolarHBondContact O-N 2.79Å; V420-V545 HydrophobicContact CG2-CB 4.37Å; V420-V545 HydrophobicContact CG2-CG1 3.68Å; V420-V545 HydrophobicContact CG2-CG2 3.73Å; F465-V545 HydrophobicContact CE1-CG1 3.73Å; F465-V545 HydrophobicContact CZ-CG1 4.31Å; K528-V545 VanDerWaalsContact O-CA 3.25Å; K528-V545 WeakPolarHBondContact O-CA 3.21Å; V529-V545 HydrophobicContact CB-CG1 4.31Å; V529-V545 HydrophobicContact CG1-CG1 4.09Å; V529-V545 HydrophobicContact CG2-CG1 3.96Å; W543-V545 HydrophobicContact CB-CG1 4.39Å; V545-V547 HydrophobicContact CG2-CG1 4.16Å
546	E	98.7	Very high	97.5	Very high	64 Å²	64	26.1 Å²	26.1	30%	0.299	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.8	173.6	-63.6	178.2	-178.1	0	0	108.3	K527 K528 R544	K527-E546 PolarHBondContact N-O 3.08Å; K528-E546 HydrophobicContact CB-CB 3.99Å; K528-E546 HydrophobicContact CB-CG 4.2Å; K528-E546 PolarHBondContact O-N 3Å; R544-E546 IonicContact CZ-OE1 3.36Å; R544-E546 IonicContact NH1-OE1 3.2Å; R544-E546 PolarHBondContact NH1-OE1 2.85Å; R544-E546 IonicContact NH2-OE1 2.71Å; R544-E546 PolarHBondContact NH2-OE1 2.85Å
547	V	98.7	Very high	97.7	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.9	-176	-57.4	0	0	0	0	111.9	T415 G416 L418 C525 I526 V545 F550	T415-V547 CarbonylContact C-O 3.59Å; T415-V547 WeakPolarHBondContact CA-O 3.02Å; G416-V547 PolarHBondContact N-O 3.37Å; G416-V547 PolarHBondContact O-N 3.01Å; L418-V547 HydrophobicContact CD1-CG1 3.88Å; L418-V547 HydrophobicContact CD1-CG2 3.82Å; L418-V547 HydrophobicContact CG-CG2 4.14Å; C525-V547 CarbonylContact O-C 3.52Å; C525-V547 VanDerWaalsContact O-CA 3.27Å; C525-V547 WeakPolarHBondContact O-CA 3.39Å; I526-V547 HydrophobicContact CG1-CG1 4.16Å; V545-V547 HydrophobicContact CG2-CG1 4.16Å; V547-F550 HydrophobicContact CB-CB 4.08Å; V547-F550 HydrophobicContact CB-CD2 4.21Å; V547-F550 HydrophobicContact CG1-CD2 3.99Å; V547-F550 HydrophobicContact CG2-CB 3.94Å
548	V	98.5	Very high	97.9	Very high	56 Å²	56	20.9 Å²	20.9	34%	0.339	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.4	173.6	179.4	0	0	0	0	108	T415 C525 K527 F550	T415-V548 HydrophobicContact CG2-CG2 4.35Å; C525-V548 VanDerWaalsContact CA-O 3.24Å; C525-V548 WeakPolarHBondContact CA-O 3.46Å; C525-V548 WeakPolarHBondContact CB-O 3.39Å; C525-V548 PolarHBondContact O-N 3.37Å; K527-V548 HydrophobicContact CG-CB 4.37Å; K527-V548 HydrophobicContact CG-CG2 3.77Å; V548-F550 VanDerWaalsContact C-N 3.27Å; V548-F550 PolarHBondContact O-N 2.9Å
549	D	97	Very high	98	Very high	85 Å²	85	23.7 Å²	23.7	46%	0.455	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.4	41.9	179.8	-65.1	-51.4	0	0	0	115.1	S413 L414 T415 C525 P551	S413-D549 WeakPolarHBondContact OG-CA 3.11Å; S413-D549 PolarHBondContact OG-OD1 2.76Å; L414-D549 PolarHBondContact O-N 2.87Å; T415-D549 PolarHBondContact OG1-N 3.26Å; C525-D549 PolarHBondContact SG-O 3.21Å; D549-P551 WeakPolarHBondContact O-CD 3.22Å
550	F	97.9	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.2	-179	-167.3	-71.7	0	0	0	110.6	L414 Y449 L490 S513 L521 C525 V547 V548	L414-F550 HydrophobicContact CB-CB 4.22Å; L414-F550 PolarHBondContact N-O 2.84Å; L414-F550 PolarHBondContact O-N 3.05Å; Y449-F550 HydrophobicContact CE2-CZ 4.1Å; Y449-F550 AromaticContact CZ-CZ 3.89Å; L490-F550 HydrophobicContact CD1-CE1 4.35Å; L490-F550 HydrophobicContact CD2-CD1 4.05Å; L490-F550 HydrophobicContact CD2-CE1 3.76Å; L490-F550 HydrophobicContact CD2-CZ 4.25Å; L490-F550 HydrophobicContact CG-CE1 4.42Å; S513-F550 WeakPolarHBondContact OG-CE1 3.5Å; L521-F550 HydrophobicContact CD1-CE2 4.26Å; L521-F550 HydrophobicContact CD1-CZ 4.02Å; L521-F550 HydrophobicContact CD2-CD2 4.18Å; L521-F550 HydrophobicContact CD2-CE2 3.9Å; L521-F550 HydrophobicContact CD2-CZ 4.08Å; C525-F550 HydrophobicContact CB-CB 4.47Å; C525-F550 HydrophobicContact CB-CD2 4.07Å; V547-F550 HydrophobicContact CB-CB 4.08Å; V547-F550 HydrophobicContact CB-CD2 4.21Å; V547-F550 HydrophobicContact CG1-CD2 3.99Å; V547-F550 HydrophobicContact CG2-CB 3.94Å; V548-F550 VanDerWaalsContact C-N 3.27Å; V548-F550 PolarHBondContact O-N 2.9Å
551	P	96.3	Very high	98.1	Very high	22 Å²	22	26.5 Å²	26.5	14%	0.143	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132	-174.5	30.1	-34.6	0	0	0	112.4	F114 L521 D549	F114-P551 HydrophobicContact CZ-CB 4.48Å; L521-P551 HydrophobicContact CD2-CG 4Å; D549-P551 WeakPolarHBondContact O-CD 3.22Å
552	A	97.8	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	169.8	173.4	0	0	0	0	0	112.4	R411 L412 L414 L490 L511 G512	R411-A552 CarbonylContact C-O 3.41Å; R411-A552 WeakPolarHBondContact CA-O 3.3Å; L412-A552 HydrophobicContact CB-CB 4.46Å; L412-A552 PolarHBondContact N-O 3.19Å; L412-A552 PolarHBondContact O-N 2.97Å; L414-A552 HydrophobicContact CD1-CB 3.92Å; L414-A552 HydrophobicContact CG-CB 4.3Å; L490-A552 HydrophobicContact CD1-CB 3.78Å; L511-A552 HydrophobicContact CB-CB 4.19Å; G512-A552 CarbonylContact O-C 3.5Å; G512-A552 VanDerWaalsContact O-CA 3.3Å; G512-A552 WeakPolarHBondContact O-CA 3.2Å
553	F	97.5	Very high	97.9	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.2	171.2	-65.9	-96.9	0	0	0	110	F114 F318 T410 R411 L511 G512 V555	F114-F553 HydrophobicContact CD1-CE2 4.35Å; F114-F553 AromaticContact CD1-CZ 3.96Å; F114-F553 HydrophobicContact CD1-CZ 3.96Å; F114-F553 HydrophobicContact CE1-CE2 4.1Å; F114-F553 AromaticContact CE1-CZ 3.98Å; F114-F553 HydrophobicContact CE1-CZ 3.98Å; F318-F553 HydrophobicContact CD1-CB 4.12Å; F318-F553 AromaticContact CD1-CD2 3.8Å; F318-F553 HydrophobicContact CD1-CD2 3.8Å; F318-F553 HydrophobicContact CD1-CE2 4.37Å; F318-F553 AromaticContact CD1-CG 3.94Å; F318-F553 HydrophobicContact CD1-CG 3.94Å; F318-F553 AromaticContact CD2-CD2 3.87Å; F318-F553 HydrophobicContact CD2-CD2 3.87Å; F318-F553 AromaticContact CD2-CE2 3.7Å; F318-F553 HydrophobicContact CD2-CE2 3.7Å; F318-F553 HydrophobicContact CD2-CZ 4.38Å; F318-F553 HydrophobicContact CE1-CB 3.93Å; F318-F553 AromaticContact CE1-CD2 3.65Å; F318-F553 HydrophobicContact CE1-CD2 3.65Å; F318-F553 HydrophobicContact CE1-CE2 4.45Å; F318-F553 AromaticContact CE1-CG 4Å; F318-F553 HydrophobicContact CE1-CG 4Å; F318-F553 AromaticContact CE2-CD2 3.74Å; F318-F553 HydrophobicContact CE2-CD2 3.74Å; F318-F553 AromaticContact CE2-CE2 3.81Å; F318-F553 HydrophobicContact CE2-CE2 3.81Å; F318-F553 AromaticContact CG-CD2 3.91Å; F318-F553 HydrophobicContact CG-CD2 3.91Å; F318-F553 HydrophobicContact CG-CE2 4Å; F318-F553 HydrophobicContact CG-CG 4.3Å; F318-F553 HydrophobicContact CG-CZ 4.44Å; F318-F553 AromaticContact CZ-CD2 3.62Å; F318-F553 HydrophobicContact CZ-CD2 3.62Å; F318-F553 HydrophobicContact CZ-CE2 4.19Å; F318-F553 HydrophobicContact CZ-CG 4.42Å; T410-F553 CarbonylContact O-C 3.58Å; T410-F553 VanDerWaalsContact O-CA 3.27Å; T410-F553 WeakPolarHBondContact O-CA 3.41Å; R411-F553 HydrophobicContact CB-CD1 3.95Å; R411-F553 HydrophobicContact CB-CE1 3.73Å; R411-F553 HydrophobicContact CB-CZ 4.38Å; R411-F553 HydrophobicContact CG-CD1 4.24Å; R411-F553 HydrophobicContact CG-CE1 3.8Å; R411-F553 HydrophobicContact CG-CE2 4.47Å; R411-F553 HydrophobicContact CG-CZ 3.93Å; L511-F553 CarbonylContact C-O 3.58Å; L511-F553 VanDerWaalsContact CA-O 3.23Å; L511-F553 WeakPolarHBondContact CA-O 3.08Å; G512-F553 PolarHBondContact N-O 3.35Å; G512-F553 PolarHBondContact O-N 3.18Å; F553-V555 PolarHBondContact O-N 2.98Å; F553-V555 VanDerWaalsContact O-N 3.15Å
554	I	98.4	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	111.2	167	-58.1	-178.8	0	0	0	108	L403 I408 K409 T410 L412 F509 L511 D557	L403-I554 HydrophobicContact CD2-CD1 4.36Å; I408-I554 CarbonylContact C-O 3.57Å; I408-I554 WeakPolarHBondContact CA-O 2.94Å; I408-I554 HydrophobicContact CG2-CG2 4.21Å; K409-I554 PolarHBondContact N-O 2.89Å; T410-I554 PolarHBondContact O-N 2.79Å; L412-I554 HydrophobicContact CD1-CD1 4.47Å; L412-I554 HydrophobicContact CD1-CG1 3.79Å; L412-I554 HydrophobicContact CD2-CD1 4.31Å; L412-I554 HydrophobicContact CD2-CG1 4.22Å; L412-I554 HydrophobicContact CG-CG1 4.16Å; F509-I554 HydrophobicContact CD1-CG2 4.29Å; L511-I554 HydrophobicContact CD2-CG1 4.02Å; I554-D557 HydrophobicContact CG2-CB 4.35Å
555	V	98.5	Very high	97.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-48.2	179.9	175.5	0	0	0	0	110.9	F318 I408 Y510 F553 D562 F563 F564	F318-V555 HydrophobicContact CE1-CG2 4.21Å; I408-V555 WeakPolarHBondContact CG2-O 3.5Å; Y510-V555 HydrophobicContact CD1-CB 3.58Å; Y510-V555 HydrophobicContact CD1-CG1 3.54Å; Y510-V555 HydrophobicContact CD1-CG2 4.43Å; Y510-V555 HydrophobicContact CE1-CB 3.77Å; Y510-V555 HydrophobicContact CE1-CG1 3.55Å; Y510-V555 HydrophobicContact CE1-CG2 4.18Å; Y510-V555 HydrophobicContact CG-CB 4.36Å; Y510-V555 PolarHBondContact O-N 2.94Å; F553-V555 PolarHBondContact O-N 2.98Å; F553-V555 VanDerWaalsContact O-N 3.15Å; V555-D562 CarbonylContact O-C 3.48Å; V555-D562 WeakPolarHBondContact O-CA 3.45Å; V555-F563 HydrophobicContact CB-CB 4.43Å; V555-F563 HydrophobicContact CG1-CB 3.98Å; V555-F563 PolarHBondContact O-N 2.81Å; V555-F564 HydrophobicContact CG1-CD2 3.67Å; V555-F564 HydrophobicContact CG1-CE2 3.58Å; V555-F564 HydrophobicContact CG2-CE2 4.26Å
556	I	98.7	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.6	172.3	-59.4	169.8	0	0	0	108.1	R495 V499 T500 C503 F509 Y510 N561 D562	R495-I556 HydrophobicContact CB-CD1 4.2Å; V499-I556 HydrophobicContact CB-CD1 4.19Å; V499-I556 HydrophobicContact CG1-CD1 3.87Å; T500-I556 HydrophobicContact CG2-CG2 4.31Å; C503-I556 HydrophobicContact CB-CG2 3.71Å; F509-I556 WeakPolarHBondContact CA-O 3.43Å; Y510-I556 HydrophobicContact CD1-CD1 4.1Å; Y510-I556 HydrophobicContact CD1-CG1 4.19Å; Y510-I556 PolarHBondContact N-O 2.7Å; Y510-I556 PolarHBondContact O-N 2.87Å; Y510-I556 VanDerWaalsContact O-N 3.12Å; I556-N561 WeakPolarHBondContact CA-O 3.38Å; I556-D562 HydrophobicContact CG1-CB 4.18Å
557	D	98.6	Very high	96.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.011	17%	0.168	C	C	.	.			trans	-103.2	175.9	175.7	71.5	10.6	0	0	0	113	I408 G508 F509 I554 K559 G560 N561	I408-D557 HydrophobicContact CG2-CB 4.15Å; G508-D557 CarbonylContact O-C 3.47Å; F509-D557 HydrophobicContact CD1-CB 4.24Å; F509-D557 HydrophobicContact CE1-CB 3.91Å; I554-D557 HydrophobicContact CG2-CB 4.35Å; D557-K559 PolarHBondContact O-N 3.08Å; D557-K559 WeakPolarHBondContact OD1-CA 3.48Å; D557-K559 WeakPolarHBondContact OD1-CB 3.35Å; D557-K559 PolarHBondContact OD1-N 3.27Å; D557-G560 PolarHBondContact OD1-N 3.22Å; D557-G560 VanDerWaalsContact OD1-N 3.09Å; D557-N561 PolarHBondContact N-O 3.18Å; D557-N561 WeakPolarHBondContact OD1-CB 3.24Å; D557-N561 PolarHBondContact OD1-N 2.86Å; D557-N561 PolarHBondContact OD1-ND2 3.14Å; D557-N561 WeakPolarHBondContact OD2-CB 3.36Å; D557-N561 PolarHBondContact OD2-ND2 2.96Å
558	D	98.4	Very high	96.1	Very high	34 Å²	34	36.6 Å²	36.6	18%	0.182	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	2.4	176.5	61.6	-27.2	0	0	0	114.1	S404 G508 F509	S404-D558 VanDerWaalsContact CB-OD2 3.3Å; S404-D558 WeakPolarHBondContact CB-OD2 3.41Å; S404-D558 PolarHBondContact OG-OD1 2.63Å; S404-D558 PolarHBondContact OG-OD2 3.27Å; G508-D558 WeakPolarHBondContact O-CA 3.29Å; G508-D558 PolarHBondContact O-N 3.11Å; F509-D558 HydrophobicContact CE1-CB 4.39Å; F509-D558 HydrophobicContact CE2-CB 3.74Å; F509-D558 HydrophobicContact CZ-CB 3.66Å; F509-D558 VanDerWaalsContact CZ-OD1 3.29Å; F509-D558 WeakPolarHBondContact CZ-OD1 3.23Å
559	K	98.3	Very high	95.2	Very high	93 Å²	93	36.6 Å²	36.6	40%	0.404	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-4.8	-175.1	-59.4	167.2	-169.7	74.8	0	112	S404 D557	S404-K559 PolarHBondContact O-NZ 2.94Å; S404-K559 PolarHBondContact OG-NZ 2.91Å; D557-K559 PolarHBondContact O-N 3.08Å; D557-K559 WeakPolarHBondContact OD1-CA 3.48Å; D557-K559 WeakPolarHBondContact OD1-CB 3.35Å; D557-K559 PolarHBondContact OD1-N 3.27Å
560	G	96.2	Very high	93.6	Very high	16 Å²	16	44.8 Å²	44.8	17%	0.165	22%	0.218	C	C	.	.	S	Bend	trans	86.3	21.8	-178.8	0	0	0	0	0	113.7	T500 D557	T500-G560 WeakPolarHBondContact CG2-O 3.41Å; D557-G560 PolarHBondContact OD1-N 3.22Å; D557-G560 VanDerWaalsContact OD1-N 3.09Å
561	N	98.1	Very high	93.4	Very high	72 Å²	72	47 Å²	47	39%	0.385	23%	0.229	S	C	.	.			trans	-86.2	146.3	168.9	-55.2	-56.9	0	0	0	109.7	I408 I556 D557	I408-N561 HydrophobicContact CD1-CB 4.02Å; I408-N561 HydrophobicContact CG1-CB 4.22Å; I408-N561 HydrophobicContact CG2-CB 3.87Å; I556-N561 WeakPolarHBondContact CA-O 3.38Å; D557-N561 PolarHBondContact N-O 3.18Å; D557-N561 WeakPolarHBondContact OD1-CB 3.24Å; D557-N561 PolarHBondContact OD1-N 2.86Å; D557-N561 PolarHBondContact OD1-ND2 3.14Å; D557-N561 WeakPolarHBondContact OD2-CB 3.36Å; D557-N561 PolarHBondContact OD2-ND2 2.96Å
562	D	97.8	Very high	93.2	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-136	127.4	176.5	176.2	2.3	0	0	0	108.8	T500 V555 I556 F564 K565 Q568	T500-D562 HydrophobicContact CG2-CB 4.34Å; V555-D562 CarbonylContact O-C 3.48Å; V555-D562 WeakPolarHBondContact O-CA 3.45Å; I556-D562 HydrophobicContact CG1-CB 4.18Å; D562-F564 PolarHBondContact O-N 2.97Å; D562-F564 PolarHBondContact OD1-N 3.13Å; D562-K565 HydrophobicContact CB-CB 4.23Å; D562-K565 WeakPolarHBondContact O-CB 3.49Å; D562-K565 PolarHBondContact O-N 2.99Å; D562-Q568 PolarHBondContact OD2-NE2 3Å
563	F	96.1	Very high	92.9	Very high	6 Å²	6	51 Å²	51	3%	0.026	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-42.9	173	-172.9	-68.7	0	0	0	111.5	F318 K409 V555 W567	F318-F563 HydrophobicContact CB-CE2 4.4Å; F318-F563 HydrophobicContact CB-CZ 4.07Å; F318-F563 HydrophobicContact CD1-CE2 4.48Å; F318-F563 WeakPolarHBondContact O-CZ 3.43Å; K409-F563 HydrophobicContact CB-CD2 3.96Å; K409-F563 HydrophobicContact CB-CE2 3.78Å; K409-F563 HydrophobicContact CD-CD2 4.32Å; K409-F563 HydrophobicContact CD-CE2 4.04Å; K409-F563 HydrophobicContact CD-CZ 4.45Å; K409-F563 HydrophobicContact CG-CD2 3.5Å; K409-F563 VanDerWaalsContact CG-CD2 3.5Å; K409-F563 HydrophobicContact CG-CE2 3.55Å; K409-F563 HydrophobicContact CG-CG 4.31Å; K409-F563 HydrophobicContact CG-CZ 4.41Å; V555-F563 HydrophobicContact CB-CB 4.43Å; V555-F563 HydrophobicContact CG1-CB 3.98Å; V555-F563 PolarHBondContact O-N 2.81Å; F563-W567 HydrophobicContact CD1-CH2 4.41Å; F563-W567 AromaticContact CD1-CZ3 3.79Å; F563-W567 HydrophobicContact CD1-CZ3 3.79Å; F563-W567 AromaticContact CE1-CH2 3.91Å; F563-W567 HydrophobicContact CE1-CH2 3.91Å; F563-W567 AromaticContact CE1-CZ3 3.7Å; F563-W567 HydrophobicContact CE1-CZ3 3.7Å; F563-W567 WeakPolarHBondContact O-CZ3 3.46Å
564	F	95.5	Very high	92.7	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.031	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.7	-170.3	-60	-77.5	0	0	0	114.5	T250 Q317 F318 N494 V555 D562 E566 W567 Q568	T250-F564 HydrophobicContact CG2-CD1 4.46Å; T250-F564 HydrophobicContact CG2-CE1 3.72Å; T250-F564 HydrophobicContact CG2-CZ 4.21Å; Q317-F564 VanDerWaalsContact O-CE1 3.26Å; Q317-F564 WeakPolarHBondContact O-CE1 3.42Å; Q317-F564 WeakPolarHBondContact O-CZ 3.48Å; F318-F564 HydrophobicContact CD1-CZ 4.48Å; N494-F564 HydrophobicContact CB-CB 3.95Å; N494-F564 HydrophobicContact CB-CD1 4.38Å; N494-F564 HydrophobicContact CB-CD2 3.66Å; N494-F564 HydrophobicContact CB-CE2 4.26Å; N494-F564 HydrophobicContact CB-CG 3.73Å; V555-F564 HydrophobicContact CG1-CD2 3.67Å; V555-F564 HydrophobicContact CG1-CE2 3.58Å; V555-F564 HydrophobicContact CG2-CE2 4.26Å; D562-F564 PolarHBondContact O-N 2.97Å; D562-F564 PolarHBondContact OD1-N 3.13Å; F564-E566 PolarHBondContact O-N 3.34Å; F564-E566 VanDerWaalsContact O-N 3.11Å; F564-W567 HydrophobicContact CB-CE3 4.08Å; F564-W567 HydrophobicContact CB-CZ3 4.48Å; F564-W567 AromaticContact CD1-CE3 3.68Å; F564-W567 HydrophobicContact CD1-CE3 3.68Å; F564-W567 AromaticContact CD1-CZ3 3.7Å; F564-W567 HydrophobicContact CD1-CZ3 3.7Å; F564-W567 HydrophobicContact CE1-CZ3 4.36Å; F564-W567 HydrophobicContact CG-CE3 4.33Å; F564-W567 HydrophobicContact CG-CZ3 4.42Å; F564-W567 PolarHBondContact O-N 3.22Å; F564-Q568 PolarHBondContact O-N 2.59Å
565	K	94.1	Very high	92.3	Very high	145 Å²	145	57.3 Å²	57.3	63%	0.63	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-52.2	-38.5	-174	-173.7	177.5	177.3	-178.4	0	113.3	D562 W567 Q568	D562-K565 HydrophobicContact CB-CB 4.23Å; D562-K565 WeakPolarHBondContact O-CB 3.49Å; D562-K565 PolarHBondContact O-N 2.99Å; K565-W567 PolarHBondContact O-N 3.45Å; K565-Q568 PolarHBondContact O-N 3.28Å
566	E	90.2	Very high	91.9	Very high	122 Å²	122	61 Å²	61	57%	0.57	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-69.8	-15.3	-178	67.2	-171.7	144.3	0	0	114.4	K409 F564	K409-E566 IonicContact NZ-OE1 2.7Å; F564-E566 PolarHBondContact O-N 3.34Å; F564-E566 VanDerWaalsContact O-N 3.11Å
567	W	90.3	Very high	91.4	Very high	29 Å²	29	65.4 Å²	65.4	11%	0.11	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-113.5	1.9	-179.8	-51.3	-66.8	0	0	0	114.2	V312 G313 I314 F563 F564 K565 V569	V312-W567 PolarHBondContact O-NE1 3.05Å; G313-W567 WeakPolarHBondContact O-CZ2 3.49Å; I314-W567 HydrophobicContact CD1-CB 4.09Å; I314-W567 HydrophobicContact CD1-CG 4.22Å; I314-W567 HydrophobicContact CG1-CB 3.86Å; I314-W567 HydrophobicContact CG1-CD2 3.72Å; I314-W567 HydrophobicContact CG1-CE3 4.3Å; I314-W567 HydrophobicContact CG1-CG 3.49Å; I314-W567 VanDerWaalsContact CG1-CG 3.49Å; F563-W567 HydrophobicContact CD1-CH2 4.41Å; F563-W567 AromaticContact CD1-CZ3 3.79Å; F563-W567 HydrophobicContact CD1-CZ3 3.79Å; F563-W567 AromaticContact CE1-CH2 3.91Å; F563-W567 HydrophobicContact CE1-CH2 3.91Å; F563-W567 AromaticContact CE1-CZ3 3.7Å; F563-W567 HydrophobicContact CE1-CZ3 3.7Å; F563-W567 WeakPolarHBondContact O-CZ3 3.46Å; F564-W567 HydrophobicContact CB-CE3 4.08Å; F564-W567 HydrophobicContact CB-CZ3 4.48Å; F564-W567 AromaticContact CD1-CE3 3.68Å; F564-W567 HydrophobicContact CD1-CE3 3.68Å; F564-W567 AromaticContact CD1-CZ3 3.7Å; F564-W567 HydrophobicContact CD1-CZ3 3.7Å; F564-W567 HydrophobicContact CE1-CZ3 4.36Å; F564-W567 HydrophobicContact CG-CE3 4.33Å; F564-W567 HydrophobicContact CG-CZ3 4.42Å; F564-W567 PolarHBondContact O-N 3.22Å; K565-W567 PolarHBondContact O-N 3.45Å; W567-V569 PolarHBondContact O-N 3.23Å
568	Q	84.2	Confident	90.9	Very high	70 Å²	70	70.2 Å²	70.2	33%	0.327	34%	0.339	S	S	.	.			trans	-64	135.7	176	-69	-172.8	-5.6	0	0	110.1	D562 F564 K565	D562-Q568 PolarHBondContact OD2-NE2 3Å; F564-Q568 PolarHBondContact O-N 2.59Å; K565-Q568 PolarHBondContact O-N 3.28Å
569	V	80.1	Confident	90.2	Very high	55 Å²	55	73.3 Å²	73.3	33%	0.333	35%	0.352	S	S	.	.			trans	-102	130.3	169.9	-173.3	0	0	0	0	106.3	E243 K246 T247 W567	E243-V569 HydrophobicContact CG-CG1 4.11Å; K246-V569 HydrophobicContact CB-CG2 3.46Å; K246-V569 VanDerWaalsContact CB-CG2 3.46Å; K246-V569 HydrophobicContact CD-CG2 4.01Å; K246-V569 HydrophobicContact CG-CG2 4.39Å; T247-V569 HydrophobicContact CG2-CB 4.33Å; T247-V569 HydrophobicContact CG2-CG2 4.21Å; W567-V569 PolarHBondContact O-N 3.23Å
570	E	62.2	Low	89.5	Confident	257 Å²	257	71.5 Å²	71.5	100%	1.201	35%	0.347	S	S	*	.			trans	-68.4	0	177.5	-69.2	-169.7	156.2	0	0	113.2

Retrieved 570 of 570 residues in 133.7 ms (Link to these results)

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