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Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase pps-1

Bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway¹. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS: activated sulfate donor used by sulfotransferase)². Required for normal growth and development³. Involved in several aspects of both embryonic and postembryonic development, including molting, changes in cell shape, and patterning of epithelial and muscle cells⁴.

AlphaFold DB , UniProt , Accession A0A061AE05, Species CAEEL (Caenorhabditis elegans), Gene pps-1, Length 654 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	33.8	Very low	239 Å²	239	164.7 Å²	164.7	100%	1.177	86%	0.862	S	S	*	*				0	120.6	0	-82.5	175.7	176.6	0	0	106.6	T3	M1-T3 PolarHBondContact O-N 2.72Å
2	L	30.4	Very low	33.8	Very low	184 Å²	184	164.8 Å²	164.8	96%	0.963	86%	0.864	S	S	*	*			trans	-79	108	166.1	-71.2	166.3	0	0	0	106
3	T	33.1	Very low	33.6	Very low	123 Å²	123	159.8 Å²	159.8	76%	0.755	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-64.4	137.6	169.7	32.3	0	0	0	0	108.9	M1 R5	M1-T3 PolarHBondContact O-N 2.72Å; T3-R5 PolarHBondContact O-N 3.22Å
4	P	33.2	Very low	33.3	Very low	125 Å²	125	160.9 Å²	160.9	81%	0.812	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-62.7	129.9	176.3	-15.1	28.6	0	0	0	109.4
5	R	36.8	Very low	33.1	Very low	229 Å²	229	158.1 Å²	158.1	86%	0.864	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-69.5	131.7	169.1	-82.5	-178.4	171	175.5	-3.2	108.4	T3 E7	T3-R5 PolarHBondContact O-N 3.22Å; R5-E7 PolarHBondContact O-N 3.3Å
6	D	34.2	Very low	33.1	Very low	155 Å²	155	159.8 Å²	159.8	83%	0.829	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-54.1	123.6	176.4	-83.4	-43.5	0	0	0	111.3	N8	D6-N8 PolarHBondContact O-N 3.21Å; D6-N8 VanDerWaalsContact O-N 3.12Å
7	E	34.1	Very low	33.3	Very low	191 Å²	191	159.6 Å²	159.6	89%	0.893	86%	0.857	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	6	-178.7	-71.2	-175.1	157.2	0	0	114.2	R5	R5-E7 PolarHBondContact O-N 3.3Å
8	N	33.1	Very low	33.4	Very low	155 Å²	155	162.3 Å²	162.3	83%	0.829	86%	0.86	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	17.5	-170.2	-77.6	-17.9	0	0	0	116	D6 E10	D6-N8 PolarHBondContact O-N 3.21Å; D6-N8 VanDerWaalsContact O-N 3.12Å; N8-E10 PolarHBondContact O-N 2.66Å
9	N	34.4	Very low	34	Very low	154 Å²	154	160.3 Å²	160.3	82%	0.824	84%	0.842	S	S	*	*			trans	-97.1	72.9	174.3	-137.2	8.3	0	0	0	110.9	G11	N9-G11 PolarHBondContact O-N 3.1Å
10	E	30	Very low	34.3	Very low	197 Å²	197	156.6 Å²	156.6	92%	0.921	83%	0.829	S	S	*	*			trans	-70.6	70.6	162.6	-72.4	-171.6	161	0	0	109	N8	N8-E10 PolarHBondContact O-N 2.66Å
11	G	34.5	Very low	34.7	Very low	60 Å²	60	160.6 Å²	160.6	62%	0.619	83%	0.832	S	S	*	*			trans	-79.7	115.8	172.8	0	0	0	0	0	110.6	N9 A13	N9-G11 PolarHBondContact O-N 3.1Å; G11-A13 PolarHBondContact O-N 3.49Å; G11-A13 VanDerWaalsContact O-N 3.11Å
12	D	33.7	Very low	35.2	Very low	165 Å²	165	155.3 Å²	155.3	88%	0.882	80%	0.8	S	S	*	*			trans	4.3	87.3	166.6	-80.6	-34.2	0	0	0	116.2	M14	D12-M14 PolarHBondContact O-N 3.44Å
13	A	31.7	Very low	36	Very low	100 Å²	100	151.8 Å²	151.8	83%	0.826	79%	0.791	S	S	*	*			trans	-65	105.4	165.4	0	0	0	0	0	108.8	G11	G11-A13 PolarHBondContact O-N 3.49Å; G11-A13 VanDerWaalsContact O-N 3.11Å
14	M	29.3	Very low	36.7	Very low	175 Å²	175	151.3 Å²	151.3	86%	0.862	79%	0.793	S	S	*	*			trans	-50.2	139.3	165.8	-88.7	-162.4	-179.7	0	0	109.5	D12 M16	D12-M14 PolarHBondContact O-N 3.44Å; M14-M16 PolarHBondContact O-N 3.08Å; M14-M16 VanDerWaalsContact O-N 3.1Å
15	P	29.9	Very low	37.6	Very low	120 Å²	120	150.5 Å²	150.5	78%	0.779	78%	0.781	S	S	*	*			trans	-58.9	121	-174.9	21.6	-30.9	0	0	0	110.1	L17	P15-L17 PolarHBondContact O-N 3.4Å
16	M	33.1	Very low	38.3	Very low	184 Å²	184	143.6 Å²	143.6	91%	0.906	77%	0.768	S	S	*	*			trans	-53.3	107.1	174.2	-75.9	-164.3	176.1	0	0	109.3	M14 K18	M14-M16 PolarHBondContact O-N 3.08Å; M14-M16 VanDerWaalsContact O-N 3.1Å; M16-K18 PolarHBondContact O-N 3.14Å
17	L	36.7	Very low	39.4	Very low	157 Å²	157	140.1 Å²	140.1	82%	0.822	77%	0.768	S	S	*	*			trans	-54.7	120.8	168.3	-82.2	153.8	0	0	0	107.8	P15 K19	P15-L17 PolarHBondContact O-N 3.4Å; L17-K19 PolarHBondContact O-N 2.88Å
18	K	35.4	Very low	41.1	Very low	209 Å²	209	139.5 Å²	139.5	91%	0.909	77%	0.766	S	S	*	*			trans	-52.9	109	178.5	-79.8	-179.1	176.2	175.1	0	109.5	M16	M16-K18 PolarHBondContact O-N 3.14Å
19	K	44.7	Very low	43	Very low	123 Å²	123	134.8 Å²	134.8	54%	0.535	75%	0.745	S	S	.	*	P	Polyproline II helix	trans	-61.8	144.9	176.7	-70.8	-169.4	175	-164.5	0	110.8	L17 R21 E153	L17-K19 PolarHBondContact O-N 2.88Å; K19-R21 PolarHBondContact O-N 3.23Å; K19-E153 IonicContact NZ-OE2 3.8Å; K19-E153 PolarHBondContact NZ-OE2 2.82Å
20	P	39.1	Very low	45.2	Very low	87 Å²	87	132.9 Å²	132.9	57%	0.565	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-58.9	137.5	178.3	-19.9	31.4	0	0	0	111.5	Y22	P20-Y22 PolarHBondContact O-N 3.39Å
21	R	42.8	Very low	47.7	Very low	241 Å²	241	131 Å²	131	91%	0.909	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.9	118.4	169.7	-79.3	-179.6	173.1	176.2	-3	108.7	K19 S23	K19-R21 PolarHBondContact O-N 3.23Å; R21-S23 PolarHBondContact O-N 3.23Å
22	Y	49.1	Very low	50	Low	127 Å²	127	132.9 Å²	132.9	50%	0.498	73%	0.73	S	S	.	*			trans	-56.9	98.3	172.3	-64.7	-80	0	0	0	110.6	P20 Y34 E153	P20-Y22 PolarHBondContact O-N 3.39Å; Y22-Y34 HydrophobicContact CD2-CD2 4.13Å; Y22-Y34 HydrophobicContact CD2-CE2 4.49Å; Y22-Y34 HydrophobicContact CD2-CG 4.37Å; Y22-Y34 HydrophobicContact CE2-CD1 4.22Å; Y22-Y34 AromaticContact CE2-CD2 3.43Å; Y22-Y34 HydrophobicContact CE2-CD2 3.43Å; Y22-Y34 VanDerWaalsContact CE2-CD2 3.43Å; Y22-Y34 HydrophobicContact CE2-CE1 4.19Å; Y22-Y34 AromaticContact CE2-CE2 3.41Å; Y22-Y34 HydrophobicContact CE2-CE2 3.41Å; Y22-Y34 VanDerWaalsContact CE2-CE2 3.41Å; Y22-Y34 AromaticContact CE2-CG 3.85Å; Y22-Y34 HydrophobicContact CE2-CG 3.85Å; Y22-Y34 AromaticContact CE2-CZ 3.8Å; Y22-Y34 AromaticContact CZ-CD2 3.9Å; Y22-Y34 AromaticContact CZ-CE2 3.47Å; Y22-Y34 VanDerWaalsContact CZ-CE2 3.47Å; Y22-Y34 AromaticContact CZ-CZ 3.94Å; Y22-Y34 WeakPolarHBondContact OH-CE2 3.19Å; Y22-Y34 VanDerWaalsContact OH-CZ 3.24Å; Y22-Y34 PolarHBondContact OH-OH 2.98Å; Y22-Y34 VanDerWaalsContact OH-OH 3.12Å; Y22-E153 PolarHBondContact OH-OE1 3.48Å
23	S	46.2	Very low	52.4	Low	110 Å²	110	130.5 Å²	130.5	77%	0.769	72%	0.722	S	S	*	*			trans	-104.2	77.7	173.2	69	0	0	0	0	110.1	R21	R21-S23 PolarHBondContact O-N 3.23Å
24	S	48	Very low	54.7	Low	114 Å²	114	131.4 Å²	131.4	80%	0.797	70%	0.704	S	S	*	*			trans	170.9	72.6	152.2	46.7	0	0	0	0	110.4	S26	S24-S26 PolarHBondContact O-N 2.99Å
25	L	52.3	Low	57.3	Low	108 Å²	108	130.7 Å²	130.7	57%	0.565	70%	0.699	S	S	*	*			trans	-63.1	119.8	152.9	-74.4	165.2	0	0	0	106.1	G27 I32	L25-G27 PolarHBondContact O-N 2.74Å; L25-I32 HydrophobicContact CD2-CB 4.19Å; L25-I32 HydrophobicContact CD2-CD1 4.3Å; L25-I32 HydrophobicContact CD2-CG2 4.42Å
26	S	52.5	Low	59.8	Low	84 Å²	84	132.8 Å²	132.8	59%	0.587	70%	0.698	S	S	*	*			trans	-51.5	129.8	166.8	67.9	0	0	0	0	107.4	S24 Q28 S29	S24-S26 PolarHBondContact O-N 2.99Å; S26-Q28 PolarHBondContact O-N 3.22Å; S26-S29 PolarHBondContact O-N 3.41Å
27	G	57.3	Low	62.3	Low	81 Å²	81	130.3 Å²	130.3	84%	0.835	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	6.3	-165.1	0	0	0	0	0	116.7	L25	L25-G27 PolarHBondContact O-N 2.74Å
28	Q	69.9	Low	64.7	Low	179 Å²	179	129.3 Å²	129.3	84%	0.836	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-30.5	178.1	-66.1	-175.6	-4.2	0	0	113.4	S26	S26-Q28 PolarHBondContact O-N 3.22Å
29	S	72.9	Confident	67.2	Low	56 Å²	56	123 Å²	123	39%	0.392	66%	0.66	S	S	.	*			trans	-109	97.9	-174.7	-60.9	0	0	0	0	111.7	S26	S26-S29 PolarHBondContact O-N 3.41Å
30	T	79.4	Confident	69.1	Low	114 Å²	114	119.1 Å²	119.1	70%	0.699	65%	0.648	S	S	*	*			trans	-88.7	-16.9	-174.5	58.2	0	0	0	0	114.6
31	N	83.7	Confident	71.2	Confident	158 Å²	158	116.6 Å²	116.6	85%	0.845	63%	0.628	S	S	*	*	S	Bend	trans	-110	47	-171.2	-61	-20	0	0	0	112.5
32	I	81.9	Confident	72.9	Confident	99 Å²	99	108.8 Å²	108.8	51%	0.508	60%	0.602	S	S	.	*			trans	-118.3	127.7	-179.6	-56.6	179.6	0	0	0	109.5	L25	L25-I32 HydrophobicContact CD2-CB 4.19Å; L25-I32 HydrophobicContact CD2-CD1 4.3Å; L25-I32 HydrophobicContact CD2-CG2 4.42Å
33	T	83.8	Confident	74.4	Confident	115 Å²	115	107.5 Å²	107.5	71%	0.706	60%	0.6	S	S	*	*			trans	-115.7	136.7	171.6	53.8	0	0	0	0	109.6
34	Y	80.4	Confident	76.3	Confident	119 Å²	119	104.5 Å²	104.5	47%	0.467	57%	0.572	S	S	.	*			trans	-72	133	172.9	-173	-96.4	0	0	0	110.2	Y22 E36	Y22-Y34 HydrophobicContact CD2-CD2 4.13Å; Y22-Y34 HydrophobicContact CD2-CE2 4.49Å; Y22-Y34 HydrophobicContact CD2-CG 4.37Å; Y22-Y34 HydrophobicContact CE2-CD1 4.22Å; Y22-Y34 AromaticContact CE2-CD2 3.43Å; Y22-Y34 HydrophobicContact CE2-CD2 3.43Å; Y22-Y34 VanDerWaalsContact CE2-CD2 3.43Å; Y22-Y34 HydrophobicContact CE2-CE1 4.19Å; Y22-Y34 AromaticContact CE2-CE2 3.41Å; Y22-Y34 HydrophobicContact CE2-CE2 3.41Å; Y22-Y34 VanDerWaalsContact CE2-CE2 3.41Å; Y22-Y34 AromaticContact CE2-CG 3.85Å; Y22-Y34 HydrophobicContact CE2-CG 3.85Å; Y22-Y34 AromaticContact CE2-CZ 3.8Å; Y22-Y34 AromaticContact CZ-CD2 3.9Å; Y22-Y34 AromaticContact CZ-CE2 3.47Å; Y22-Y34 VanDerWaalsContact CZ-CE2 3.47Å; Y22-Y34 AromaticContact CZ-CZ 3.94Å; Y22-Y34 WeakPolarHBondContact OH-CE2 3.19Å; Y22-Y34 VanDerWaalsContact OH-CZ 3.24Å; Y22-Y34 PolarHBondContact OH-OH 2.98Å; Y22-Y34 VanDerWaalsContact OH-OH 3.12Å; Y34-E36 HydrophobicContact CD1-CG 4.14Å; Y34-E36 HydrophobicContact CE1-CG 3.91Å
35	Q	83.9	Confident	77.7	Confident	160 Å²	160	99.1 Å²	99.1	75%	0.748	53%	0.534	S	S	*	.			trans	-108.4	122.8	174.6	-67.1	-167.3	2.3	0	0	109.6
36	E	83.4	Confident	78.7	Confident	164 Å²	164	97 Å²	97	77%	0.766	53%	0.532	S	S	*	.			trans	-76.6	139.1	174.5	-70	-176.5	174.6	0	0	110.8	Y34	Y34-E36 HydrophobicContact CD1-CG 4.14Å; Y34-E36 HydrophobicContact CE1-CG 3.91Å
37	H	84.2	Confident	79.9	Confident	132 Å²	132	97.1 Å²	97.1	61%	0.611	54%	0.539	S	S	*	.			trans	-76.7	140.9	175.5	-69	-80	0	0	0	110.9	I39 R44	H37-I39 VanDerWaalsContact C-N 3.31Å; H37-R44 PolarHBondContact CD2-NH2 2.81Å
38	T	87	Confident	80.8	Confident	136 Å²	136	96.8 Å²	96.8	83%	0.834	52%	0.52	S	S	*	.	S	Bend	trans	-80.5	-11.8	172.3	57.3	0	0	0	0	113.6
39	I	88.2	Confident	80.5	Confident	76 Å²	76	89 Å²	89	39%	0.39	49%	0.488	S	S	.	.	S	Bend	trans	-109.7	125.1	179.9	-58.3	-63.1	0	0	0	108.4	H37 E43 R44	H37-I39 VanDerWaalsContact C-N 3.31Å; I39-E43 HydrophobicContact CG2-CB 3.68Å; I39-R44 HydrophobicContact CG2-CG 3.69Å; I39-R44 PolarHBondContact O-NH2 2.83Å
40	S	84.8	Confident	79.9	Confident	41 Å²	41	94.3 Å²	94.3	29%	0.287	50%	0.499	S	S	.	.			trans	-71.5	160.3	175.9	64	0	0	0	0	112.2	E42 E43 R44	S40-E42 PolarHBondContact O-N 3.19Å; S40-E43 WeakPolarHBondContact CB-OE2 3.46Å; S40-E43 PolarHBondContact N-OE2 3.39Å; S40-E43 PolarHBondContact O-N 2.77Å; S40-E43 VanDerWaalsContact OG-CG 3.25Å; S40-E43 WeakPolarHBondContact OG-CG 3.48Å; S40-E43 PolarHBondContact OG-N 2.92Å; S40-E43 PolarHBondContact OG-OE2 3.23Å; S40-R44 WeakPolarHBondContact O-CG 3.28Å; S40-R44 PolarHBondContact O-N 2.73Å; S40-R44 VanDerWaalsContact O-N 3.11Å
41	R	82.8	Confident	79.2	Confident	35 Å²	35	90.5 Å²	90.5	13%	0.132	47%	0.473	C	S	.	.	H	α-helix	trans	-62.3	-32.6	173.9	-177.9	171.3	66.5	-165.3	6.1	111.2	R44 A45 R55 N154	R41-R44 PolarHBondContact O-N 2.97Å; R41-A45 WeakPolarHBondContact O-CB 3.44Å; R41-A45 PolarHBondContact O-N 2.76Å; R41-R55 VanDerWaalsContact CD-O 3.27Å; R41-R55 WeakPolarHBondContact CD-O 3.3Å; R41-R55 HydrophobicContact CG-CB 4.42Å; R41-R55 WeakPolarHBondContact CG-O 3.5Å; R41-N154 VanDerWaalsContact CZ-O 3.27Å; R41-N154 PolarHBondContact NH1-O 2.82Å; R41-N154 PolarHBondContact NH2-O 2.88Å
42	E	78.6	Confident	78.2	Confident	77 Å²	77	92.7 Å²	92.7	36%	0.36	48%	0.478	S	S	.	.	H	α-helix	trans	-55.7	-51.8	173.5	-57.6	30.8	-120.5	0	0	111.5	S40 A45 A46 R55	S40-E42 PolarHBondContact O-N 3.19Å; E42-A45 PolarHBondContact O-N 3.45Å; E42-A46 WeakPolarHBondContact O-CB 3.28Å; E42-A46 PolarHBondContact O-N 2.95Å; E42-R55 VanDerWaalsContact CA-NE 3.32Å; E42-R55 VanDerWaalsContact CD-NE 3.28Å; E42-R55 VanDerWaalsContact CG-CZ 3.42Å; E42-R55 VanDerWaalsContact CG-NH2 3.29Å; E42-R55 WeakPolarHBondContact OE1-CD 3.41Å; E42-R55 IonicContact OE1-CZ 3.49Å; E42-R55 IonicContact OE1-NE 2.59Å; E42-R55 PolarHBondContact OE1-NE 3.43Å
43	E	81.6	Confident	77.4	Confident	100 Å²	100	90.2 Å²	90.2	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-67.7	-38.9	-179.9	-72.9	165.9	104.2	0	0	112.2	I39 S40 A46 A47	I39-E43 HydrophobicContact CG2-CB 3.68Å; S40-E43 WeakPolarHBondContact CB-OE2 3.46Å; S40-E43 PolarHBondContact N-OE2 3.39Å; S40-E43 PolarHBondContact O-N 2.77Å; S40-E43 VanDerWaalsContact OG-CG 3.25Å; S40-E43 WeakPolarHBondContact OG-CG 3.48Å; S40-E43 PolarHBondContact OG-N 2.92Å; S40-E43 PolarHBondContact OG-OE2 3.23Å; E43-A46 PolarHBondContact O-N 3.39Å; E43-A47 PolarHBondContact O-N 3.06Å; E43-A47 VanDerWaalsContact O-N 3.11Å
44	R	85	Confident	77	Confident	46 Å²	46	85.4 Å²	85.4	17%	0.174	45%	0.447	C	S	.	.	H	α-helix	trans	-62.8	-47.7	175.4	-64	-174.3	-160.6	129.1	-3.1	111.4	H37 I39 S40 R41 A46 A47 V48 D126 S127	H37-R44 PolarHBondContact CD2-NH2 2.81Å; I39-R44 HydrophobicContact CG2-CG 3.69Å; I39-R44 PolarHBondContact O-NH2 2.83Å; S40-R44 WeakPolarHBondContact O-CG 3.28Å; S40-R44 PolarHBondContact O-N 2.73Å; S40-R44 VanDerWaalsContact O-N 3.11Å; R41-R44 PolarHBondContact O-N 2.97Å; R44-A46 VanDerWaalsContact C-N 3.27Å; R44-A46 PolarHBondContact O-N 3.44Å; R44-A47 WeakPolarHBondContact O-CA 3.2Å; R44-A47 WeakPolarHBondContact O-CB 3.5Å; R44-A47 PolarHBondContact O-N 3.15Å; R44-V48 WeakPolarHBondContact O-CG2 3.32Å; R44-V48 PolarHBondContact O-N 2.95Å; R44-V48 VanDerWaalsContact O-N 3.11Å; R44-D126 IonicContact CZ-OD2 2.87Å; R44-D126 VanDerWaalsContact NH1-CG 3.29Å; R44-D126 PolarHBondContact NH1-O 2.87Å; R44-D126 IonicContact NH1-OD1 3.23Å; R44-D126 IonicContact NH1-OD2 3.07Å; R44-D126 PolarHBondContact NH1-OD2 3.46Å; R44-D126 IonicContact NH2-OD2 3.54Å; R44-S127 WeakPolarHBondContact CB-O 3.5Å
45	A	78.3	Confident	76.8	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.008	44%	0.438	C	S	.	.	H	α-helix	trans	-63.1	-34.9	179.5	0	0	0	0	0	112.1	R41 E42 A47 V48 G49 F54	R41-A45 WeakPolarHBondContact O-CB 3.44Å; R41-A45 PolarHBondContact O-N 2.76Å; E42-A45 PolarHBondContact O-N 3.45Å; A45-A47 VanDerWaalsContact C-N 3.28Å; A45-A47 PolarHBondContact O-N 3.36Å; A45-V48 PolarHBondContact O-N 3.14Å; A45-G49 WeakPolarHBondContact O-CA 3.3Å; A45-G49 PolarHBondContact O-N 2.98Å; A45-F54 HydrophobicContact CB-CD1 4.33Å; A45-F54 WeakPolarHBondContact CB-O 3.47Å
46	A	73	Confident	77	Confident	63 Å²	63	75.8 Å²	75.8	52%	0.521	40%	0.404	S	S	.	.	H	α-helix	trans	-67.7	-24.7	172.2	0	0	0	0	0	113.6	E42 E43 R44	E42-A46 WeakPolarHBondContact O-CB 3.28Å; E42-A46 PolarHBondContact O-N 2.95Å; E43-A46 PolarHBondContact O-N 3.39Å; R44-A46 VanDerWaalsContact C-N 3.27Å; R44-A46 PolarHBondContact O-N 3.44Å
47	A	78.4	Confident	77.6	Confident	88 Å²	88	68 Å²	68	73%	0.727	37%	0.367	S	S	*	.	H	α-helix	trans	-82.2	-30.2	177.1	0	0	0	0	0	113.2	E43 R44 A45	E43-A47 PolarHBondContact O-N 3.06Å; E43-A47 VanDerWaalsContact O-N 3.11Å; R44-A47 WeakPolarHBondContact O-CA 3.2Å; R44-A47 WeakPolarHBondContact O-CB 3.5Å; R44-A47 PolarHBondContact O-N 3.15Å; A45-A47 VanDerWaalsContact C-N 3.28Å; A45-A47 PolarHBondContact O-N 3.36Å
48	V	74.9	Confident	78.2	Confident	73 Å²	73	61.7 Å²	61.7	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-100.3	-28.2	-179.5	-62.1	0	0	0	0	113.9	R44 A45 P86 G128	R44-V48 WeakPolarHBondContact O-CG2 3.32Å; R44-V48 PolarHBondContact O-N 2.95Å; R44-V48 VanDerWaalsContact O-N 3.11Å; A45-V48 PolarHBondContact O-N 3.14Å; V48-P86 HydrophobicContact CB-CG 4.18Å; V48-P86 HydrophobicContact CG2-CB 4.42Å; V48-P86 HydrophobicContact CG2-CG 4.09Å; V48-P86 VanDerWaalsContact O-CG 3.28Å; V48-P86 WeakPolarHBondContact O-CG 3.39Å; V48-G128 WeakPolarHBondContact CG2-O 3.2Å
49	G	63.6	Low	78.8	Confident	15 Å²	15	55.2 Å²	55.2	16%	0.155	30%	0.298	C	S	.	.			trans	-102.2	156.3	-173.3	0	0	0	0	0	113.3	A45	A45-G49 WeakPolarHBondContact O-CA 3.3Å; A45-G49 PolarHBondContact O-N 2.98Å
50	R	62.1	Low	79.3	Confident	168 Å²	168	51.6 Å²	51.6	63%	0.634	28%	0.28	S	S	*	.	S	Bend	trans	-89.3	-18.8	173.9	-61.2	-173.4	-172.7	176.3	7.8	113.5	D330	R50-D330 IonicContact CZ-OD1 3.83Å; R50-D330 IonicContact NH1-OD1 3.25Å; R50-D330 PolarHBondContact NH1-OD1 2.77Å; R50-D330 IonicContact NH1-OD2 3.79Å
51	H	64.8	Low	79.9	Confident	34 Å²	34	49.6 Å²	49.6	16%	0.157	27%	0.266	C	S	.	.	S	Bend	trans	-100.3	129.3	-171.7	-56.2	-69.5	0	0	0	111.8	F54	H51-F54 HydrophobicContact CB-CB 4.45Å; H51-F54 PolarHBondContact O-N 3.22Å
52	E	61.4	Low	80.6	Confident	204 Å²	204	48 Å²	48	95%	0.953	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	139.8	172.2	-164.8	173.6	-173.1	0	0	110.4	F54	E52-F54 VanDerWaalsContact C-N 3.27Å; E52-F54 PolarHBondContact O-N 2.91Å
53	G	66.1	Low	81.4	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-9.2	179	0	0	0	0	0	116.4
54	F	73.8	Confident	82.1	Confident	14 Å²	14	40.5 Å²	40.5	6%	0.061	23%	0.225	C	C	.	.			trans	-62.5	141.6	171.9	179.2	-114.7	0	0	0	110.7	A45 H51 E52 I85 G128 I130 L231	A45-F54 HydrophobicContact CB-CD1 4.33Å; A45-F54 WeakPolarHBondContact CB-O 3.47Å; H51-F54 HydrophobicContact CB-CB 4.45Å; H51-F54 PolarHBondContact O-N 3.22Å; E52-F54 VanDerWaalsContact C-N 3.27Å; E52-F54 PolarHBondContact O-N 2.91Å; F54-I85 HydrophobicContact CE2-CG2 4.15Å; F54-I85 HydrophobicContact CZ-CG2 3.97Å; F54-G128 WeakPolarHBondContact CE1-O 3.49Å; F54-I130 HydrophobicContact CE2-CD1 4.17Å; F54-I130 HydrophobicContact CE2-CG1 3.9Å; F54-I130 HydrophobicContact CZ-CD1 4.44Å; F54-I130 HydrophobicContact CZ-CG1 3.79Å; F54-L231 WeakPolarHBondContact CD2-O 3.33Å
55	R	76.3	Confident	82.4	Confident	74 Å²	74	39.5 Å²	39.5	28%	0.279	23%	0.225	S	C	.	.			trans	-135	-1.5	-175.8	-64.1	-63.5	177.5	-105.2	2.9	115.1	R41 E42	R41-R55 VanDerWaalsContact CD-O 3.27Å; R41-R55 WeakPolarHBondContact CD-O 3.3Å; R41-R55 HydrophobicContact CG-CB 4.42Å; R41-R55 WeakPolarHBondContact CG-O 3.5Å; E42-R55 VanDerWaalsContact CA-NE 3.32Å; E42-R55 VanDerWaalsContact CD-NE 3.28Å; E42-R55 VanDerWaalsContact CG-CZ 3.42Å; E42-R55 VanDerWaalsContact CG-NH2 3.29Å; E42-R55 WeakPolarHBondContact OE1-CD 3.41Å; E42-R55 IonicContact OE1-CZ 3.49Å; E42-R55 IonicContact OE1-NE 2.59Å; E42-R55 PolarHBondContact OE1-NE 3.43Å
56	G	88.8	Confident	83	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.031	24%	0.239	C	C	.	.			trans	73.8	157.4	-170.6	0	0	0	0	0	113.5	M129	G56-M129 CarbonylContact C-O 3.55Å; G56-M129 WeakPolarHBondContact CA-O 3.38Å
57	C	95.1	Very high	84	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	168.6	177.7	65.8	0	0	0	0	110.8	M129 I130 C131 K156 L231	C57-M129 PolarHBondContact N-O 3.33Å; C57-M129 VanDerWaalsContact N-O 3.12Å; C57-I130 CarbonylContact O-C 3.56Å; C57-I130 WeakPolarHBondContact O-CA 3.08Å; C57-C131 PolarHBondContact O-N 3.46Å; C57-K156 HydrophobicContact CB-CB 4.08Å; C57-L231 HydrophobicContact CB-CD1 4.26Å; C57-L231 HydrophobicContact CB-CD2 4.04Å
58	T	98.1	Very high	84.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.6	171.6	-63.9	0	0	0	0	110.4	W60 A121 C131 H150 K156 F157 I158	T58-W60 HydrophobicContact CG2-CE3 4.2Å; T58-A121 HydrophobicContact CG2-CB 3.9Å; T58-A121 PolarHBondContact OG1-O 3.32Å; T58-C131 WeakPolarHBondContact CA-O 3.4Å; T58-H150 VanDerWaalsContact CB-NE2 3.33Å; T58-H150 WeakPolarHBondContact CB-NE2 3.46Å; T58-H150 PolarHBondContact OG1-CD2 3.22Å; T58-H150 PolarHBondContact OG1-NE2 2.95Å; T58-K156 PolarHBondContact N-O 3.19Å; T58-F157 HydrophobicContact CG2-CD2 4.05Å; T58-F157 HydrophobicContact CG2-CE2 4.19Å; T58-I158 PolarHBondContact O-N 3.14Å
59	I	98.3	Very high	85.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.9	170.2	-52	-178.8	0	0	0	107.6	F61 L76 I130 C131 L132 A133 I158 V160 V222 L226	I59-F61 HydrophobicContact CB-CE2 4.21Å; I59-F61 HydrophobicContact CG2-CD2 4.25Å; I59-F61 HydrophobicContact CG2-CE1 4.38Å; I59-F61 HydrophobicContact CG2-CE2 3.58Å; I59-F61 HydrophobicContact CG2-CZ 3.66Å; I59-L76 HydrophobicContact CD1-CD2 3.97Å; I59-I130 HydrophobicContact CD1-CG2 3.67Å; I59-I130 HydrophobicContact CG1-CG2 3.92Å; I59-C131 PolarHBondContact N-O 3.1Å; I59-L132 HydrophobicContact CB-CD2 3.87Å; I59-L132 HydrophobicContact CD1-CD2 3.69Å; I59-L132 HydrophobicContact CG1-CD2 4.07Å; I59-A133 PolarHBondContact O-N 3.44Å; I59-I158 CarbonylContact C-O 3.56Å; I59-I158 WeakPolarHBondContact CA-O 3.19Å; I59-V160 HydrophobicContact CG2-CG2 3.49Å; I59-V160 VanDerWaalsContact CG2-CG2 3.49Å; I59-V222 HydrophobicContact CD1-CG1 4.09Å; I59-V222 HydrophobicContact CG2-CG1 4.46Å; I59-L226 HydrophobicContact CD1-CD1 3.6Å; I59-L226 HydrophobicContact CD1-CD2 3.83Å; I59-L226 HydrophobicContact CD1-CG 4.23Å; I59-L226 HydrophobicContact CG1-CD2 4.29Å
60	W	98.5	Very high	87.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	103.1	-173.5	-166	-75.7	0	0	0	111	T58 I114 V117 A118 A133 F135 S137 A146 F157 I158 V160	T58-W60 HydrophobicContact CG2-CE3 4.2Å; W60-I114 HydrophobicContact CH2-CG2 4Å; W60-I114 HydrophobicContact CZ2-CD1 4.2Å; W60-I114 HydrophobicContact CZ2-CG2 3.77Å; W60-V117 HydrophobicContact CH2-CB 4.07Å; W60-V117 HydrophobicContact CH2-CG1 3.57Å; W60-V117 HydrophobicContact CZ2-CG1 4.47Å; W60-V117 HydrophobicContact CZ3-CG1 3.8Å; W60-A118 HydrophobicContact CH2-CB 4.32Å; W60-A118 HydrophobicContact CZ3-CB 4.17Å; W60-A133 CarbonylContact C-O 3.6Å; W60-A133 HydrophobicContact CD2-CB 4.09Å; W60-A133 HydrophobicContact CE3-CB 3.67Å; W60-A133 HydrophobicContact CZ3-CB 4.04Å; W60-F135 HydrophobicContact CZ2-CB 4.44Å; W60-S137 PolarHBondContact NE1-OG 3.28Å; W60-S137 VanDerWaalsContact NE1-OG 3.17Å; W60-A146 HydrophobicContact CH2-CB 4.19Å; W60-A146 HydrophobicContact CZ2-CB 4.49Å; W60-A146 HydrophobicContact CZ3-CB 4.27Å; W60-F157 HydrophobicContact CB-CE1 4.05Å; W60-F157 HydrophobicContact CB-CE2 3.83Å; W60-F157 HydrophobicContact CB-CZ 3.44Å; W60-F157 VanDerWaalsContact CB-CZ 3.44Å; W60-F157 AromaticContact CD2-CE2 3.96Å; W60-F157 HydrophobicContact CD2-CE2 3.96Å; W60-F157 AromaticContact CD2-CZ 3.83Å; W60-F157 HydrophobicContact CD2-CZ 3.83Å; W60-F157 AromaticContact CE3-CE2 3.61Å; W60-F157 HydrophobicContact CE3-CE2 3.61Å; W60-F157 AromaticContact CE3-CZ 3.99Å; W60-F157 HydrophobicContact CE3-CZ 3.99Å; W60-F157 HydrophobicContact CG-CE2 4.09Å; W60-F157 AromaticContact CG-CZ 3.61Å; W60-F157 HydrophobicContact CG-CZ 3.61Å; W60-F157 HydrophobicContact CZ3-CE2 4.43Å; W60-I158 PolarHBondContact N-O 2.99Å; W60-V160 PolarHBondContact O-N 3.01Å
61	F	98.4	Very high	88.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.2	176.2	-58.9	-93.4	0	0	0	110.3	I59 K69 I72 L76 L132 A133 A134 F135 V160 V162 V222	I59-F61 HydrophobicContact CB-CE2 4.21Å; I59-F61 HydrophobicContact CG2-CD2 4.25Å; I59-F61 HydrophobicContact CG2-CE1 4.38Å; I59-F61 HydrophobicContact CG2-CE2 3.58Å; I59-F61 HydrophobicContact CG2-CZ 3.66Å; F61-K69 HydrophobicContact CB-CB 4.08Å; F61-K69 HydrophobicContact CB-CG 4.34Å; F61-I72 HydrophobicContact CD1-CG2 4.47Å; F61-I72 HydrophobicContact CE1-CG2 3.8Å; F61-I72 HydrophobicContact CZ-CG2 4.45Å; F61-L76 HydrophobicContact CZ-CD2 3.87Å; F61-L132 HydrophobicContact CE2-CB 4.36Å; F61-L132 HydrophobicContact CE2-CD2 4.31Å; F61-A133 PolarHBondContact N-O 3.37Å; F61-A134 HydrophobicContact CB-CB 4.43Å; F61-F135 PolarHBondContact O-N 2.8Å; F61-V160 WeakPolarHBondContact CA-O 3.27Å; F61-V160 HydrophobicContact CD1-CB 3.72Å; F61-V160 HydrophobicContact CD1-CG1 3.62Å; F61-V160 HydrophobicContact CD1-CG2 4.29Å; F61-V160 HydrophobicContact CE1-CB 4.04Å; F61-V160 HydrophobicContact CE1-CG1 3.79Å; F61-V160 HydrophobicContact CE1-CG2 4.16Å; F61-V160 HydrophobicContact CG-CB 4.3Å; F61-V162 HydrophobicContact CB-CG2 4.45Å; F61-V162 HydrophobicContact CD1-CG2 4.13Å; F61-V222 HydrophobicContact CE1-CG2 4.39Å
62	T	97.6	Very high	90.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	152.1	174.6	-171.9	0	0	0	0	111.6	F135 I136 S137 E159 V160 V162 Y198 P201	T62-F135 WeakPolarHBondContact CA-O 3.48Å; T62-I136 PolarHBondContact OG1-O 2.85Å; T62-S137 VanDerWaalsContact CB-OG 3.25Å; T62-S137 WeakPolarHBondContact CB-OG 3.33Å; T62-S137 PolarHBondContact OG1-O 2.78Å; T62-S137 PolarHBondContact OG1-OG 3.11Å; T62-E159 HydrophobicContact CG2-CG 4.29Å; T62-V160 PolarHBondContact N-O 3.27Å; T62-V162 PolarHBondContact O-N 2.8Å; T62-Y198 PolarHBondContact OG1-OH 3.12Å; T62-P201 HydrophobicContact CG2-CG 4.05Å
63	G	96.2	Very high	91.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.116	C	C	.	.			trans	154.2	165.2	-172.2	0	0	0	0	0	113	K69 Y198	G63-K69 WeakPolarHBondContact O-CE 3.42Å; G63-K69 PolarHBondContact O-NZ 3.27Å; G63-Y198 VanDerWaalsContact CA-OH 3.25Å; G63-Y198 WeakPolarHBondContact CA-OH 3.36Å; G63-Y198 PolarHBondContact N-OH 2.79Å; G63-Y198 VanDerWaalsContact N-OH 3.16Å
64	L	95	Very high	93.2	Very high	20 Å²	20	19.3 Å²	19.3	11%	0.105	11%	0.11	C	C	.	.			trans	-56.6	157.1	177.7	-65	176.3	0	0	0	112.8	G66 A67 K69 L166 T192 Y198	L64-G66 PolarHBondContact O-N 2.82Å; L64-A67 HydrophobicContact CB-CB 4.48Å; L64-A67 WeakPolarHBondContact O-CB 3.03Å; L64-A67 PolarHBondContact O-N 3.11Å; L64-A67 VanDerWaalsContact O-N 3.09Å; L64-K69 PolarHBondContact O-NZ 2.93Å; L64-L166 HydrophobicContact CD1-CB 4Å; L64-L166 HydrophobicContact CD1-CD1 4.13Å; L64-T192 HydrophobicContact CD2-CG2 4.16Å; L64-Y198 HydrophobicContact CD2-CD1 4.21Å; L64-Y198 HydrophobicContact CD2-CD2 4.26Å; L64-Y198 HydrophobicContact CD2-CG 3.78Å; L64-Y198 HydrophobicContact CG-CG 4.5Å
65	S	91.7	Very high	93.9	Very high	25 Å²	25	19.4 Å²	19.4	18%	0.175	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.2	170.5	-169.7	0	0	0	0	109.7	A67 C169 Y180	S65-A67 PolarHBondContact O-N 3.28Å; S65-C169 WeakPolarHBondContact O-CB 3.35Å; S65-Y180 WeakPolarHBondContact O-CE2 3.37Å; S65-Y180 PolarHBondContact O-OH 3.37Å
66	G	91.2	Very high	94.8	Very high	29 Å²	29	15.9 Å²	15.9	30%	0.299	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	0.4	-175.4	0	0	0	0	0	116	L64 G68	L64-G66 PolarHBondContact O-N 2.82Å; G66-G68 PolarHBondContact O-N 3.49Å; G66-G68 VanDerWaalsContact O-N 3.12Å
67	A	94.4	Very high	95.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-65.8	-11.2	176.1	0	0	0	0	0	114.2	L64 S65 V162 T164 A210	L64-A67 HydrophobicContact CB-CB 4.48Å; L64-A67 WeakPolarHBondContact O-CB 3.03Å; L64-A67 PolarHBondContact O-N 3.11Å; L64-A67 VanDerWaalsContact O-N 3.09Å; S65-A67 PolarHBondContact O-N 3.28Å; A67-V162 HydrophobicContact CB-CB 4.41Å; A67-V162 HydrophobicContact CB-CG1 4.06Å; A67-V162 WeakPolarHBondContact O-CG1 3.27Å; A67-T164 PolarHBondContact O-OG1 3.12Å; A67-A210 WeakPolarHBondContact O-CB 3.43Å
68	G	93.7	Very high	94.6	Very high	14 Å²	14	26.5 Å²	26.5	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	96	10.6	179.6	0	0	0	0	0	115.4	G66 T71 I72	G66-G68 PolarHBondContact O-N 3.49Å; G66-G68 VanDerWaalsContact O-N 3.12Å; G68-T71 WeakPolarHBondContact O-CB 3.45Å; G68-T71 PolarHBondContact O-N 3.14Å; G68-I72 WeakPolarHBondContact O-CG1 3.47Å; G68-I72 PolarHBondContact O-N 2.72Å
69	K	96.2	Very high	93.9	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.065	15%	0.15	C	C	.	.	H	α-helix	trans	-51.1	-59.7	179.1	-58	-179.1	-62.8	-73.1	0	113.5	F61 G63 L64 T71 I72 S73 A134 F135 V162	F61-K69 HydrophobicContact CB-CB 4.08Å; F61-K69 HydrophobicContact CB-CG 4.34Å; G63-K69 WeakPolarHBondContact O-CE 3.42Å; G63-K69 PolarHBondContact O-NZ 3.27Å; L64-K69 PolarHBondContact O-NZ 2.93Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 3.07Å; K69-I72 PolarHBondContact O-N 3.47Å; K69-S73 VanDerWaalsContact O-CB 3.27Å; K69-S73 WeakPolarHBondContact O-CB 3.35Å; K69-S73 PolarHBondContact O-N 3.5Å; K69-A134 HydrophobicContact CB-CB 4.17Å; K69-F135 WeakPolarHBondContact CD-O 3.43Å; K69-F135 VanDerWaalsContact CE-C 3.49Å; K69-F135 WeakPolarHBondContact CE-O 3.42Å; K69-V162 HydrophobicContact CG-CB 4.05Å; K69-V162 HydrophobicContact CG-CG2 3.91Å
70	T	94.1	Very high	93.4	Very high	43 Å²	43	27.9 Å²	27.9	26%	0.264	15%	0.15	S	C	.	.	H	α-helix	trans	-61.7	-38.4	-179.2	-53.1	0	0	0	0	111.2	S73 F74 D91	T70-S73 PolarHBondContact O-N 2.94Å; T70-F74 HydrophobicContact CG2-CD2 3.67Å; T70-F74 HydrophobicContact CG2-CE1 4.46Å; T70-F74 HydrophobicContact CG2-CE2 3.3Å; T70-F74 HydrophobicContact CG2-CG 4.39Å; T70-F74 HydrophobicContact CG2-CZ 3.75Å; T70-F74 WeakPolarHBondContact O-CB 3.47Å; T70-F74 WeakPolarHBondContact O-CG 3.33Å; T70-F74 PolarHBondContact O-N 3.28Å; T70-D91 WeakPolarHBondContact CG2-OD1 3.47Å; T70-D91 PolarHBondContact OG1-OD1 2.67Å
71	T	93	Very high	92.7	Very high	85 Å²	85	33.4 Å²	33.4	52%	0.521	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-46.6	176.6	-51.3	0	0	0	0	112.2	G68 K69 A75 V215	G68-T71 WeakPolarHBondContact O-CB 3.45Å; G68-T71 PolarHBondContact O-N 3.14Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 3.07Å; T71-A75 VanDerWaalsContact O-CB 3.28Å; T71-A75 WeakPolarHBondContact O-CB 3.2Å; T71-A75 PolarHBondContact O-N 2.98Å; T71-V215 HydrophobicContact CG2-CG1 4.34Å; T71-V215 HydrophobicContact CG2-CG2 3.85Å
72	I	95.7	Very high	91.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-43.8	177.7	-66.1	163.4	0	0	0	110.4	F61 G68 K69 F74 A75 L76 V162 L208 A210 V215 C218 V219	F61-I72 HydrophobicContact CD1-CG2 4.47Å; F61-I72 HydrophobicContact CE1-CG2 3.8Å; F61-I72 HydrophobicContact CZ-CG2 4.45Å; G68-I72 WeakPolarHBondContact O-CG1 3.47Å; G68-I72 PolarHBondContact O-N 2.72Å; K69-I72 PolarHBondContact O-N 3.47Å; I72-F74 PolarHBondContact O-N 3.34Å; I72-A75 PolarHBondContact O-N 3.5Å; I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 2.86Å; I72-V162 HydrophobicContact CD1-CG1 4.04Å; I72-V162 HydrophobicContact CD1-CG2 4.43Å; I72-L208 HydrophobicContact CD1-CD1 4.28Å; I72-L208 HydrophobicContact CG2-CD1 4.15Å; I72-A210 HydrophobicContact CD1-CB 3.79Å; I72-V215 HydrophobicContact CG1-CG1 4.46Å; I72-C218 HydrophobicContact CD1-CB 3.84Å; I72-C218 HydrophobicContact CG1-CB 4.02Å; I72-C218 HydrophobicContact CG2-CB 4.18Å; I72-V219 HydrophobicContact CG2-CG2 4.39Å
73	S	96.9	Very high	90.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-50	178	-176.7	0	0	0	0	111.8	K69 T70 L76 E77 L132	K69-S73 VanDerWaalsContact O-CB 3.27Å; K69-S73 WeakPolarHBondContact O-CB 3.35Å; K69-S73 PolarHBondContact O-N 3.5Å; T70-S73 PolarHBondContact O-N 2.94Å; S73-L76 PolarHBondContact O-N 3.32Å; S73-E77 WeakPolarHBondContact O-CB 3.38Å; S73-E77 PolarHBondContact O-N 3.41Å; S73-L132 WeakPolarHBondContact O-CD1 3.47Å; S73-L132 VanDerWaalsContact OG-CB 3.31Å; S73-L132 WeakPolarHBondContact OG-CB 3.49Å
74	F	93.7	Very high	89.3	Confident	83 Å²	83	44.9 Å²	44.9	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-73.7	-27.7	179.1	-66.5	-21.5	0	0	0	113.4	T70 I72 E77 R78 D91	T70-F74 HydrophobicContact CG2-CD2 3.67Å; T70-F74 HydrophobicContact CG2-CE1 4.46Å; T70-F74 HydrophobicContact CG2-CE2 3.3Å; T70-F74 HydrophobicContact CG2-CG 4.39Å; T70-F74 HydrophobicContact CG2-CZ 3.75Å; T70-F74 WeakPolarHBondContact O-CB 3.47Å; T70-F74 WeakPolarHBondContact O-CG 3.33Å; T70-F74 PolarHBondContact O-N 3.28Å; I72-F74 PolarHBondContact O-N 3.34Å; F74-E77 VanDerWaalsContact CD1-OE2 3.3Å; F74-E77 WeakPolarHBondContact CD1-OE2 3.5Å; F74-R78 PolarHBondContact O-N 3.47Å; F74-R78 VanDerWaalsContact O-N 3.07Å; F74-D91 HydrophobicContact CZ-CB 4.15Å
75	A	89.3	Confident	88.8	Confident	16 Å²	16	44.2 Å²	44.2	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-43.1	170.5	0	0	0	0	0	111.2	T71 I72 R78 T79 V215 V219	T71-A75 VanDerWaalsContact O-CB 3.28Å; T71-A75 WeakPolarHBondContact O-CB 3.2Å; T71-A75 PolarHBondContact O-N 2.98Å; I72-A75 PolarHBondContact O-N 3.5Å; A75-R78 WeakPolarHBondContact O-CB 3.5Å; A75-R78 PolarHBondContact O-N 3.25Å; A75-T79 PolarHBondContact O-N 3.32Å; A75-T79 VanDerWaalsContact O-N 3.09Å; A75-T79 PolarHBondContact O-OG1 2.51Å; A75-V215 HydrophobicContact CB-CG1 3.49Å; A75-V215 VanDerWaalsContact CB-CG1 3.49Å; A75-V219 HydrophobicContact CB-CG2 3.7Å
76	L	94.8	Very high	88.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-43.6	173.8	178.1	63.1	0	0	0	111.4	I59 F61 I72 S73 R78 T79 L80 L132 V219 V222 L223	I59-L76 HydrophobicContact CD1-CD2 3.97Å; F61-L76 HydrophobicContact CZ-CD2 3.87Å; I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 2.86Å; S73-L76 PolarHBondContact O-N 3.32Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 3.45Å; L76-T79 PolarHBondContact O-N 3.12Å; L76-T79 VanDerWaalsContact O-N 3.09Å; L76-L80 HydrophobicContact CD1-CD1 4.13Å; L76-L80 HydrophobicContact CD1-CG 4.02Å; L76-L80 HydrophobicContact CD2-CD1 4.47Å; L76-L80 HydrophobicContact CG-CD1 3.87Å; L76-L80 HydrophobicContact CG-CG 4.22Å; L76-L80 WeakPolarHBondContact O-CG 3.31Å; L76-L80 PolarHBondContact O-N 3.46Å; L76-L132 HydrophobicContact CD2-CD2 3.82Å; L76-L132 HydrophobicContact CG-CD1 4.47Å; L76-L132 HydrophobicContact CG-CD2 4.46Å; L76-V219 HydrophobicContact CB-CG1 4.39Å; L76-V219 HydrophobicContact CB-CG2 4.22Å; L76-V219 HydrophobicContact CD1-CG1 3.97Å; L76-V222 HydrophobicContact CD1-CG1 4.42Å; L76-V222 HydrophobicContact CD2-CB 4.24Å; L76-V222 HydrophobicContact CD2-CG1 3.57Å; L76-L223 HydrophobicContact CD1-CD2 3.62Å; L76-L223 HydrophobicContact CD1-CG 3.95Å
77	E	94.6	Very high	88.7	Confident	47 Å²	47	43.3 Å²	43.3	22%	0.22	22%	0.222	C	C	.	.	H	α-helix	trans	-54.5	-45.8	174.8	-167.9	174.4	-155.3	0	0	111.4	S73 F74 T79 L80 N81 C87 G89 L132	S73-E77 WeakPolarHBondContact O-CB 3.38Å; S73-E77 PolarHBondContact O-N 3.41Å; F74-E77 VanDerWaalsContact CD1-OE2 3.3Å; F74-E77 WeakPolarHBondContact CD1-OE2 3.5Å; E77-T79 PolarHBondContact O-N 3.06Å; E77-L80 PolarHBondContact O-N 3.23Å; E77-N81 VanDerWaalsContact O-CB 3.22Å; E77-N81 WeakPolarHBondContact O-CB 3.35Å; E77-N81 PolarHBondContact O-N 2.96Å; E77-C87 PolarHBondContact O-SG 3.32Å; E77-G89 PolarHBondContact OE1-N 2.81Å; E77-L132 HydrophobicContact CB-CD1 3.64Å; E77-L132 HydrophobicContact CG-CD1 4.23Å
78	R	86.3	Confident	88.8	Confident	179 Å²	179	48.9 Å²	48.9	68%	0.675	24%	0.244	S	C	*	.	H	α-helix	trans	-61.4	-43	176.2	-177.2	179	-67.3	-166	-2.2	111.9	F74 A75 L76 K82	F74-R78 PolarHBondContact O-N 3.47Å; F74-R78 VanDerWaalsContact O-N 3.07Å; A75-R78 WeakPolarHBondContact O-CB 3.5Å; A75-R78 PolarHBondContact O-N 3.25Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 3.45Å; R78-K82 WeakPolarHBondContact O-CG 3.45Å; R78-K82 PolarHBondContact O-N 3.31Å
79	T	82.8	Confident	88.9	Confident	28 Å²	28	48.9 Å²	48.9	17%	0.172	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-47.5	179.5	-57.5	0	0	0	0	111.4	A75 L76 E77 N81 K82 L83 L223	A75-T79 PolarHBondContact O-N 3.32Å; A75-T79 VanDerWaalsContact O-N 3.09Å; A75-T79 PolarHBondContact O-OG1 2.51Å; L76-T79 PolarHBondContact O-N 3.12Å; L76-T79 VanDerWaalsContact O-N 3.09Å; E77-T79 PolarHBondContact O-N 3.06Å; T79-N81 VanDerWaalsContact C-N 3.32Å; T79-N81 PolarHBondContact O-N 2.91Å; T79-K82 WeakPolarHBondContact O-CB 3.25Å; T79-K82 PolarHBondContact O-N 2.9Å; T79-L83 HydrophobicContact CG2-CD1 4.26Å; T79-L83 WeakPolarHBondContact O-CG 3.38Å; T79-L83 PolarHBondContact O-N 3.29Å; T79-L223 HydrophobicContact CG2-CD1 3.75Å
80	L	87.8	Confident	88.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-42.4	176	-69.1	172.6	0	0	0	111.9	L76 E77 K82 L83 G84 I85 C87 I130 L132 L223 L232	L76-L80 HydrophobicContact CD1-CD1 4.13Å; L76-L80 HydrophobicContact CD1-CG 4.02Å; L76-L80 HydrophobicContact CD2-CD1 4.47Å; L76-L80 HydrophobicContact CG-CD1 3.87Å; L76-L80 HydrophobicContact CG-CG 4.22Å; L76-L80 WeakPolarHBondContact O-CG 3.31Å; L76-L80 PolarHBondContact O-N 3.46Å; E77-L80 PolarHBondContact O-N 3.23Å; L80-K82 PolarHBondContact O-N 2.89Å; L80-L83 CarbonylContact O-C 3.48Å; L80-L83 WeakPolarHBondContact O-CB 3.41Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-L83 VanDerWaalsContact O-N 3.14Å; L80-G84 PolarHBondContact O-N 3.02Å; L80-I85 HydrophobicContact CB-CB 4.23Å; L80-I85 HydrophobicContact CD2-CB 4.24Å; L80-I85 HydrophobicContact CD2-CD1 3.82Å; L80-I85 HydrophobicContact CD2-CG2 4.13Å; L80-I85 WeakPolarHBondContact O-CB 3.33Å; L80-I85 PolarHBondContact O-N 3.14Å; L80-C87 HydrophobicContact CB-CB 4.29Å; L80-C87 HydrophobicContact CD1-CB 4Å; L80-I130 HydrophobicContact CD1-CB 4.33Å; L80-I130 HydrophobicContact CD1-CD1 3.93Å; L80-I130 HydrophobicContact CD1-CG2 4.17Å; L80-I130 HydrophobicContact CD2-CD1 4.07Å; L80-L132 HydrophobicContact CD1-CD2 4.46Å; L80-L223 HydrophobicContact CD2-CD2 3.89Å; L80-L232 HydrophobicContact CD2-CD1 4Å; L80-L232 HydrophobicContact CD2-CD2 4.03Å
81	N	82.6	Confident	88.9	Confident	117 Å²	117	47.4 Å²	47.4	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-63.3	-40.5	177.1	-169.1	-90.5	0	0	0	112.2	E77 T79 L83 G84	E77-N81 VanDerWaalsContact O-CB 3.22Å; E77-N81 WeakPolarHBondContact O-CB 3.35Å; E77-N81 PolarHBondContact O-N 2.96Å; T79-N81 VanDerWaalsContact C-N 3.32Å; T79-N81 PolarHBondContact O-N 2.91Å; N81-L83 VanDerWaalsContact C-N 3.27Å; N81-L83 PolarHBondContact O-N 3.39Å; N81-G84 PolarHBondContact O-N 2.68Å
82	K	73.7	Confident	88.6	Confident	167 Å²	167	44 Å²	44	73%	0.726	22%	0.217	S	C	*	.	H	α-helix	trans	-61.9	-35.4	173.2	-77.3	178.5	174.5	-169.5	0	112.6	R78 T79 L80 G84	R78-K82 WeakPolarHBondContact O-CG 3.45Å; R78-K82 PolarHBondContact O-N 3.31Å; T79-K82 WeakPolarHBondContact O-CB 3.25Å; T79-K82 PolarHBondContact O-N 2.9Å; L80-K82 PolarHBondContact O-N 2.89Å; K82-G84 PolarHBondContact O-N 3.12Å
83	L	73.4	Confident	88.2	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.277	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.2	175	-65.9	172.8	0	0	0	113	T79 L80 N81 I85	T79-L83 HydrophobicContact CG2-CD1 4.26Å; T79-L83 WeakPolarHBondContact O-CG 3.38Å; T79-L83 PolarHBondContact O-N 3.29Å; L80-L83 CarbonylContact O-C 3.48Å; L80-L83 WeakPolarHBondContact O-CB 3.41Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-L83 VanDerWaalsContact O-N 3.14Å; N81-L83 VanDerWaalsContact C-N 3.27Å; N81-L83 PolarHBondContact O-N 3.39Å; L83-I85 HydrophobicContact CB-CD1 3.75Å; L83-I85 HydrophobicContact CB-CG1 4.21Å; L83-I85 HydrophobicContact CD1-CD1 4.08Å; L83-I85 PolarHBondContact O-N 3.42Å
84	G	75.5	Confident	87.9	Confident	21 Å²	21	54.4 Å²	54.4	22%	0.216	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	15.9	-177.6	0	0	0	0	0	114	L80 N81 K82 P86	L80-G84 PolarHBondContact O-N 3.02Å; N81-G84 PolarHBondContact O-N 2.68Å; K82-G84 PolarHBondContact O-N 3.12Å; G84-P86 WeakPolarHBondContact O-CD 3.26Å
85	I	83.8	Confident	87.9	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	26%	0.261	C	S	.	.			trans	-89.3	118.5	178.7	-63.3	156.2	0	0	0	109.2	F54 L80 L83 C87 I130 L232	F54-I85 HydrophobicContact CE2-CG2 4.15Å; F54-I85 HydrophobicContact CZ-CG2 3.97Å; L80-I85 HydrophobicContact CB-CB 4.23Å; L80-I85 HydrophobicContact CD2-CB 4.24Å; L80-I85 HydrophobicContact CD2-CD1 3.82Å; L80-I85 HydrophobicContact CD2-CG2 4.13Å; L80-I85 WeakPolarHBondContact O-CB 3.33Å; L80-I85 PolarHBondContact O-N 3.14Å; L83-I85 HydrophobicContact CB-CD1 3.75Å; L83-I85 HydrophobicContact CB-CG1 4.21Å; L83-I85 HydrophobicContact CD1-CD1 4.08Å; L83-I85 PolarHBondContact O-N 3.42Å; I85-C87 PolarHBondContact O-N 3.1Å; I85-I130 HydrophobicContact CG2-CD1 3.79Å; I85-I130 HydrophobicContact CG2-CG1 4.18Å; I85-L232 HydrophobicContact CD1-CD1 4.46Å; I85-L232 HydrophobicContact CD1-CD2 3.53Å; I85-L232 HydrophobicContact CD1-CG 4.48Å; I85-L232 HydrophobicContact CG1-CD2 4.34Å; I85-L232 HydrophobicContact CG2-CD2 4.12Å
86	P	88.4	Confident	88	Confident	21 Å²	21	53.2 Å²	53.2	14%	0.136	26%	0.263	C	S	.	.			trans	-61.8	123.9	178.8	-22.5	33.5	0	0	0	111.5	V48 G84 M129 I130	V48-P86 HydrophobicContact CB-CG 4.18Å; V48-P86 HydrophobicContact CG2-CB 4.42Å; V48-P86 HydrophobicContact CG2-CG 4.09Å; V48-P86 VanDerWaalsContact O-CG 3.28Å; V48-P86 WeakPolarHBondContact O-CG 3.39Å; G84-P86 WeakPolarHBondContact O-CD 3.26Å; P86-M129 HydrophobicContact CB-CB 4.42Å; P86-M129 HydrophobicContact CB-CE 3.94Å; P86-M129 HydrophobicContact CB-CG 4.05Å; P86-M129 WeakPolarHBondContact O-CA 3.09Å; P86-I130 PolarHBondContact O-N 2.81Å
87	C	92.7	Very high	87.9	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.095	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.1	178.5	57.4	0	0	0	0	111.7	E77 L80 I85 I130	E77-C87 PolarHBondContact O-SG 3.32Å; L80-C87 HydrophobicContact CB-CB 4.29Å; L80-C87 HydrophobicContact CD1-CB 4Å; I85-C87 PolarHBondContact O-N 3.1Å; C87-I130 CarbonylContact C-O 3.59Å; C87-I130 WeakPolarHBondContact CA-O 3.33Å; C87-I130 HydrophobicContact CB-CB 3.99Å; C87-I130 WeakPolarHBondContact CB-O 3.28Å
88	Y	95.3	Very high	87.8	Confident	118 Å²	118	60 Å²	60	46%	0.463	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	127.6	176.6	-164.5	-93.5	0	0	0	111.8	L90 F124 I130 L132	Y88-L90 HydrophobicContact CD1-CD2 3.85Å; Y88-L90 HydrophobicContact CE1-CD2 3.92Å; Y88-F124 HydrophobicContact CD1-CE1 4.05Å; Y88-F124 HydrophobicContact CD1-CE2 4.06Å; Y88-F124 AromaticContact CD1-CZ 3.71Å; Y88-F124 HydrophobicContact CD1-CZ 3.71Å; Y88-F124 HydrophobicContact CE1-CE2 4.42Å; Y88-F124 AromaticContact CE1-CZ 3.99Å; Y88-F124 HydrophobicContact CE1-CZ 3.99Å; Y88-F124 HydrophobicContact CG-CE1 4.03Å; Y88-F124 HydrophobicContact CG-CZ 4.16Å; Y88-I130 PolarHBondContact N-O 3.15Å; Y88-L132 PolarHBondContact O-N 3.31Å
89	G	96.6	Very high	88.2	Confident	13 Å²	13	55.2 Å²	55.2	13%	0.134	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.4	176.2	0	0	0	0	0	114.7	E77 L132	E77-G89 PolarHBondContact OE1-N 2.81Å; G89-L132 CarbonylContact C-O 3.6Å; G89-L132 WeakPolarHBondContact CA-O 3.36Å
90	L	97	Very high	88.7	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.4	166.6	-55.1	-177.1	0	0	0	109.7	Y88 I95 V117 V120 A121 F124 C131 L132 A134 F135	Y88-L90 HydrophobicContact CD1-CD2 3.85Å; Y88-L90 HydrophobicContact CE1-CD2 3.92Å; L90-I95 HydrophobicContact CD2-CD1 4.39Å; L90-V117 HydrophobicContact CD1-CG1 4.39Å; L90-V120 HydrophobicContact CD1-CB 4.49Å; L90-V120 HydrophobicContact CD1-CG1 4Å; L90-V120 HydrophobicContact CD2-CG1 4.39Å; L90-A121 HydrophobicContact CD1-CB 4.03Å; L90-F124 HydrophobicContact CD2-CD2 4.29Å; L90-F124 HydrophobicContact CD2-CE2 3.87Å; L90-C131 WeakPolarHBondContact CD1-SG 3.25Å; L90-L132 PolarHBondContact N-O 3.17Å; L90-A134 PolarHBondContact O-N 2.94Å; L90-F135 HydrophobicContact CB-CE2 4.1Å; L90-F135 HydrophobicContact CB-CZ 4.45Å; L90-F135 WeakPolarHBondContact O-CE2 3.49Å
91	D	92.5	Very high	89.1	Confident	21 Å²	21	61.6 Å²	61.6	11%	0.112	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.6	176.6	177.8	82.1	0	0	0	111.4	T70 F74 D93 N94 I95	T70-D91 WeakPolarHBondContact CG2-OD1 3.47Å; T70-D91 PolarHBondContact OG1-OD1 2.67Å; F74-D91 HydrophobicContact CZ-CB 4.15Å; D91-D93 VanDerWaalsContact C-N 3.33Å; D91-D93 PolarHBondContact O-N 3.26Å; D91-D93 WeakPolarHBondContact OD2-CB 3.47Å; D91-D93 PolarHBondContact OD2-N 3.41Å; D91-N94 HydrophobicContact CB-CB 4.32Å; D91-N94 PolarHBondContact O-N 3.16Å; D91-N94 PolarHBondContact OD2-N 3.42Å; D91-I95 WeakPolarHBondContact O-CG1 3.36Å; D91-I95 PolarHBondContact O-N 2.73Å
92	G	87.4	Confident	89.7	Confident	13 Å²	13	61 Å²	61	13%	0.134	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-33.7	-174.5	0	0	0	0	0	115	R96	G92-R96 WeakPolarHBondContact O-CG 3.47Å; G92-R96 PolarHBondContact O-N 3.19Å
93	D	87.3	Confident	90.6	Very high	111 Å²	111	54 Å²	54	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-73.9	-43.7	177.5	-70.2	-24.4	0	0	0	109.8	D91 I95 R96 H97	D91-D93 VanDerWaalsContact C-N 3.33Å; D91-D93 PolarHBondContact O-N 3.26Å; D91-D93 WeakPolarHBondContact OD2-CB 3.47Å; D91-D93 PolarHBondContact OD2-N 3.41Å; D93-I95 PolarHBondContact O-N 3.13Å; D93-R96 PolarHBondContact O-N 2.91Å; D93-R96 VanDerWaalsContact O-N 3.16Å; D93-H97 PolarHBondContact O-CE1 3.33Å; D93-H97 PolarHBondContact O-N 3.43Å; D93-H97 PolarHBondContact O-ND1 3.38Å
94	N	90	Very high	91.3	Very high	109 Å²	109	52.9 Å²	52.9	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-43.2	177.2	-71.9	-22.2	0	0	0	112.5	D91 R96 H97	D91-N94 HydrophobicContact CB-CB 4.32Å; D91-N94 PolarHBondContact O-N 3.16Å; D91-N94 PolarHBondContact OD2-N 3.42Å; N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact O-N 2.85Å; N94-H97 PolarHBondContact O-N 3.45Å; N94-H97 VanDerWaalsContact O-N 3.13Å
95	I	93.4	Very high	91.9	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.118	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-35	177.2	-72.7	-62.5	0	0	0	111.9	L90 D91 D93 H97 G98 L99 C100 V117 F135	L90-I95 HydrophobicContact CD2-CD1 4.39Å; D91-I95 WeakPolarHBondContact O-CG1 3.36Å; D91-I95 PolarHBondContact O-N 2.73Å; D93-I95 PolarHBondContact O-N 3.13Å; I95-H97 VanDerWaalsContact C-N 3.3Å; I95-H97 PolarHBondContact O-N 3.47Å; I95-G98 CarbonylContact O-C 3.48Å; I95-G98 PolarHBondContact O-N 2.94Å; I95-L99 HydrophobicContact CG2-CB 4.35Å; I95-L99 HydrophobicContact CG2-CD2 4.43Å; I95-L99 PolarHBondContact O-N 3.25Å; I95-C100 HydrophobicContact CG2-CB 3.91Å; I95-C100 WeakPolarHBondContact CG2-SG 3.41Å; I95-C100 PolarHBondContact O-N 2.76Å; I95-V117 HydrophobicContact CG1-CG2 4.45Å; I95-V117 HydrophobicContact CG2-CG2 3.86Å; I95-F135 HydrophobicContact CB-CZ 4.43Å; I95-F135 HydrophobicContact CG1-CZ 4.02Å
96	R	92.6	Very high	92.1	Very high	50 Å²	50	60.6 Å²	60.6	19%	0.189	32%	0.321	C	S	.	.	H	α-helix	trans	-70.8	-18.4	177.1	-75.7	177.6	177.4	-82.5	-1.9	114.2	G92 D93 N94 G98 C100 K101 L103 G104	G92-R96 WeakPolarHBondContact O-CG 3.47Å; G92-R96 PolarHBondContact O-N 3.19Å; D93-R96 PolarHBondContact O-N 2.91Å; D93-R96 VanDerWaalsContact O-N 3.16Å; N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact O-N 2.85Å; R96-G98 VanDerWaalsContact C-N 3.34Å; R96-C100 HydrophobicContact CG-CB 4.31Å; R96-K101 WeakPolarHBondContact O-CA 3.28Å; R96-K101 WeakPolarHBondContact O-CB 3.3Å; R96-K101 PolarHBondContact O-N 2.82Å; R96-L103 PolarHBondContact NH1-O 2.95Å; R96-G104 PolarHBondContact NH1-O 2.95Å
97	H	92.5	Very high	92.1	Very high	150 Å²	150	65.3 Å²	65.3	69%	0.694	34%	0.339	S	S	*	.	H	α-helix	trans	-75.6	-25.6	172.9	-68.8	80.3	0	0	0	112.5	D93 N94 I95	D93-H97 PolarHBondContact O-CE1 3.33Å; D93-H97 PolarHBondContact O-N 3.43Å; D93-H97 PolarHBondContact O-ND1 3.38Å; N94-H97 PolarHBondContact O-N 3.45Å; N94-H97 VanDerWaalsContact O-N 3.13Å; I95-H97 VanDerWaalsContact C-N 3.3Å; I95-H97 PolarHBondContact O-N 3.47Å
98	G	93	Very high	92	Very high	41 Å²	41	70.6 Å²	70.6	42%	0.423	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-95.8	-175.5	0	0	0	0	0	112.8	I95 R96 C100 K101	I95-G98 CarbonylContact O-C 3.48Å; I95-G98 PolarHBondContact O-N 2.94Å; R96-G98 VanDerWaalsContact C-N 3.34Å; G98-C100 PolarHBondContact O-N 3.43Å; G98-C100 VanDerWaalsContact O-N 3.14Å; G98-K101 WeakPolarHBondContact O-CB 3.43Å; G98-K101 VanDerWaalsContact O-CG 3.3Å; G98-K101 WeakPolarHBondContact O-CG 3.43Å; G98-K101 PolarHBondContact O-N 3.39Å; G98-K101 VanDerWaalsContact O-N 3.15Å
99	L	93.6	Very high	91.9	Very high	77 Å²	77	67 Å²	67	40%	0.403	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.3	-172.7	-179.7	67.8	0	0	0	113.7	I95 R116 V120	I95-L99 HydrophobicContact CG2-CB 4.35Å; I95-L99 HydrophobicContact CG2-CD2 4.43Å; I95-L99 PolarHBondContact O-N 3.25Å; L99-R116 HydrophobicContact CD2-CB 3.99Å; L99-R116 HydrophobicContact CG-CB 4.32Å; L99-R116 PolarHBondContact O-NH1 2.81Å; L99-V120 HydrophobicContact CD2-CG2 3.58Å
100	C	94.4	Very high	91.6	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.007	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	19.1	-175.5	-65.5	0	0	0	0	113.4	I95 R96 G98 N102 L103 N113	I95-C100 HydrophobicContact CG2-CB 3.91Å; I95-C100 WeakPolarHBondContact CG2-SG 3.41Å; I95-C100 PolarHBondContact O-N 2.76Å; R96-C100 HydrophobicContact CG-CB 4.31Å; G98-C100 PolarHBondContact O-N 3.43Å; G98-C100 VanDerWaalsContact O-N 3.14Å; C100-N102 PolarHBondContact O-N 2.78Å; C100-N102 VanDerWaalsContact O-N 3.14Å; C100-L103 HydrophobicContact CB-CD1 3.95Å; C100-L103 HydrophobicContact CB-CG 4.46Å; C100-L103 PolarHBondContact O-N 3.17Å; C100-N113 VanDerWaalsContact CB-OD1 3.3Å; C100-N113 WeakPolarHBondContact CB-OD1 3.25Å; C100-N113 PolarHBondContact SG-OD1 2.76Å
101	K	94.6	Very high	91.5	Very high	162 Å²	162	71.6 Å²	71.6	70%	0.704	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.8	-176.6	74	-176	179.6	179.5	0	115.5	R96 G98	R96-K101 WeakPolarHBondContact O-CA 3.28Å; R96-K101 WeakPolarHBondContact O-CB 3.3Å; R96-K101 PolarHBondContact O-N 2.82Å; G98-K101 WeakPolarHBondContact O-CB 3.43Å; G98-K101 VanDerWaalsContact O-CG 3.3Å; G98-K101 WeakPolarHBondContact O-CG 3.43Å; G98-K101 PolarHBondContact O-N 3.39Å; G98-K101 VanDerWaalsContact O-N 3.15Å
102	N	95.6	Very high	91.6	Very high	105 Å²	105	73 Å²	73	56%	0.561	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.7	178.9	70.4	-77.1	0	0	0	113.2	C100 R116	C100-N102 PolarHBondContact O-N 2.78Å; C100-N102 VanDerWaalsContact O-N 3.14Å; N102-R116 PolarHBondContact OD1-NH1 3.17Å
103	L	93.3	Very high	92	Very high	19 Å²	19	72.7 Å²	72.7	10%	0.099	37%	0.369	C	S	.	.			trans	-97.1	132.6	-174.9	-59.4	179.2	0	0	0	110.5	R96 C100 D109 E112 N113	R96-L103 PolarHBondContact NH1-O 2.95Å; C100-L103 HydrophobicContact CB-CD1 3.95Å; C100-L103 HydrophobicContact CB-CG 4.46Å; C100-L103 PolarHBondContact O-N 3.17Å; L103-D109 HydrophobicContact CB-CB 4.2Å; L103-E112 HydrophobicContact CD1-CB 4.28Å; L103-E112 HydrophobicContact CD1-CG 3.95Å; L103-E112 HydrophobicContact CD2-CB 4.34Å; L103-E112 HydrophobicContact CD2-CG 3.9Å; L103-N113 HydrophobicContact CD1-CB 3.78Å
104	G	88.5	Confident	92.4	Very high	29 Å²	29	67.8 Å²	67.8	30%	0.299	34%	0.342	S	S	.	.			trans	-79.6	-146.2	171.3	0	0	0	0	0	113	R96 D109	R96-G104 PolarHBondContact NH1-O 2.95Å; G104-D109 WeakPolarHBondContact CA-OD2 3.32Å; G104-D109 PolarHBondContact N-OD1 3.25Å; G104-D109 PolarHBondContact N-OD2 2.94Å; G104-D109 VanDerWaalsContact N-OD2 3.1Å; G104-D109 WeakPolarHBondContact O-CB 3.31Å
105	F	87	Confident	92.8	Very high	141 Å²	141	67.6 Å²	67.6	62%	0.618	33%	0.333	S	S	*	.	S	Bend	trans	-122.3	13	179.6	-66.6	-80.2	0	0	0	113.2	R110	F105-R110 PolarHBondContact O-NE 3.41Å; F105-R110 PolarHBondContact O-NH2 3.34Å
106	S	88.3	Confident	93	Very high	48 Å²	48	68.9 Å²	68.9	34%	0.336	34%	0.337	S	S	.	.	S	Bend	trans	-61.1	167.4	170.5	68.6	0	0	0	0	111.3	E108 D109 R110	S106-E108 VanDerWaalsContact C-N 3.31Å; S106-E108 PolarHBondContact O-N 3.01Å; S106-D109 PolarHBondContact N-OD2 3.02Å; S106-D109 PolarHBondContact O-N 3.32Å; S106-D109 VanDerWaalsContact OG-CB 3.28Å; S106-D109 WeakPolarHBondContact OG-CB 3.48Å; S106-D109 PolarHBondContact OG-N 3.37Å; S106-D109 VanDerWaalsContact OG-N 3.08Å; S106-D109 PolarHBondContact OG-OD2 2.95Å; S106-R110 VanDerWaalsContact O-CG 3.28Å; S106-R110 WeakPolarHBondContact O-CG 3.25Å; S106-R110 PolarHBondContact O-N 3.4Å
107	K	87.5	Confident	93.2	Very high	119 Å²	119	66.5 Å²	66.5	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-43.7	178.7	-174	-178.8	176.7	-175	0	110.5	R110 Q111 F139	K107-R110 WeakPolarHBondContact O-CB 3.22Å; K107-R110 PolarHBondContact O-N 3.29Å; K107-Q111 PolarHBondContact O-N 2.95Å; K107-F139 HydrophobicContact CG-CE2 4.11Å; K107-F139 HydrophobicContact CG-CZ 4.45Å
108	E	91.9	Very high	93.4	Very high	126 Å²	126	59.4 Å²	59.4	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-65.1	-42.1	179.2	-61.2	70.1	-153.7	0	0	111.2	S106 R110 Q111 E112	S106-E108 VanDerWaalsContact C-N 3.31Å; S106-E108 PolarHBondContact O-N 3.01Å; E108-R110 VanDerWaalsContact C-N 3.31Å; E108-R110 PolarHBondContact O-N 3.41Å; E108-Q111 PolarHBondContact O-N 3.38Å; E108-E112 WeakPolarHBondContact O-CB 3.5Å; E108-E112 PolarHBondContact O-N 2.96Å
109	D	92.6	Very high	93.7	Very high	43 Å²	43	60.4 Å²	60.4	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-36.7	174.7	-71.8	-44.7	0	0	0	112.3	L103 G104 S106 N113	L103-D109 HydrophobicContact CB-CB 4.2Å; G104-D109 WeakPolarHBondContact CA-OD2 3.32Å; G104-D109 PolarHBondContact N-OD1 3.25Å; G104-D109 PolarHBondContact N-OD2 2.94Å; G104-D109 VanDerWaalsContact N-OD2 3.1Å; G104-D109 WeakPolarHBondContact O-CB 3.31Å; S106-D109 PolarHBondContact N-OD2 3.02Å; S106-D109 PolarHBondContact O-N 3.32Å; S106-D109 VanDerWaalsContact OG-CB 3.28Å; S106-D109 WeakPolarHBondContact OG-CB 3.48Å; S106-D109 PolarHBondContact OG-N 3.37Å; S106-D109 VanDerWaalsContact OG-N 3.08Å; S106-D109 PolarHBondContact OG-OD2 2.95Å; D109-N113 WeakPolarHBondContact O-CB 3.35Å; D109-N113 PolarHBondContact O-N 3.33Å
110	R	90.7	Very high	93.9	Very high	35 Å²	35	58.4 Å²	58.4	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-46	177	-73.2	174.6	-165	-160.4	-0.7	110.9	F105 S106 K107 E108 N113 I114 G190	F105-R110 PolarHBondContact O-NE 3.41Å; F105-R110 PolarHBondContact O-NH2 3.34Å; S106-R110 VanDerWaalsContact O-CG 3.28Å; S106-R110 WeakPolarHBondContact O-CG 3.25Å; S106-R110 PolarHBondContact O-N 3.4Å; K107-R110 WeakPolarHBondContact O-CB 3.22Å; K107-R110 PolarHBondContact O-N 3.29Å; E108-R110 VanDerWaalsContact C-N 3.31Å; E108-R110 PolarHBondContact O-N 3.41Å; R110-N113 WeakPolarHBondContact O-CB 3.36Å; R110-N113 PolarHBondContact O-N 2.85Å; R110-I114 WeakPolarHBondContact O-CG1 3.38Å; R110-I114 PolarHBondContact O-N 3.1Å; R110-G190 PolarHBondContact NH1-O 3.49Å; R110-G190 VanDerWaalsContact NH1-O 3.07Å; R110-G190 PolarHBondContact NH2-O 3.26Å
111	Q	94.2	Very high	94	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-57.7	-49.9	176.2	-178.8	176.4	30.2	0	0	110.8	K107 E108 N113 I114 R115 D142	K107-Q111 PolarHBondContact O-N 2.95Å; E108-Q111 PolarHBondContact O-N 3.38Å; Q111-N113 VanDerWaalsContact C-N 3.32Å; Q111-N113 PolarHBondContact O-N 3.05Å; Q111-I114 PolarHBondContact O-N 3.01Å; Q111-R115 PolarHBondContact O-N 3.43Å; Q111-D142 WeakPolarHBondContact CG-OD1 3.34Å
112	E	95.7	Very high	94.1	Very high	50 Å²	50	51.9 Å²	51.9	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-35.7	178.3	176.7	59.1	-171.2	0	0	112.3	L103 E108 R115 R116	L103-E112 HydrophobicContact CD1-CB 4.28Å; L103-E112 HydrophobicContact CD1-CG 3.95Å; L103-E112 HydrophobicContact CD2-CB 4.34Å; L103-E112 HydrophobicContact CD2-CG 3.9Å; E108-E112 WeakPolarHBondContact O-CB 3.5Å; E108-E112 PolarHBondContact O-N 2.96Å; E112-R115 PolarHBondContact O-N 3.17Å; E112-R115 IonicContact OE1-CZ 3.72Å; E112-R115 IonicContact OE1-NE 3.83Å; E112-R115 IonicContact OE1-NH2 2.77Å; E112-R115 PolarHBondContact OE1-NH2 3.4Å; E112-R115 IonicContact OE2-CZ 3.39Å; E112-R115 IonicContact OE2-NE 2.73Å; E112-R115 PolarHBondContact OE2-NE 3.18Å; E112-R115 IonicContact OE2-NH2 3.19Å; E112-R115 PolarHBondContact OE2-NH2 3.11Å; E112-R116 WeakPolarHBondContact O-CB 3.47Å; E112-R116 VanDerWaalsContact O-CG 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.39Å; E112-R116 PolarHBondContact O-N 2.85Å; E112-R116 IonicContact OE1-CZ 3.55Å; E112-R116 IonicContact OE1-NE 2.81Å; E112-R116 PolarHBondContact OE1-NE 3.46Å; E112-R116 IonicContact OE1-NH2 3.4Å; E112-R116 PolarHBondContact OE1-NH2 2.89Å
113	N	94.9	Very high	94.1	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-46.4	174.1	176.4	70.7	0	0	0	111.6	C100 L103 D109 R110 Q111 R116 V117	C100-N113 VanDerWaalsContact CB-OD1 3.3Å; C100-N113 WeakPolarHBondContact CB-OD1 3.25Å; C100-N113 PolarHBondContact SG-OD1 2.76Å; L103-N113 HydrophobicContact CD1-CB 3.78Å; D109-N113 WeakPolarHBondContact O-CB 3.35Å; D109-N113 PolarHBondContact O-N 3.33Å; R110-N113 WeakPolarHBondContact O-CB 3.36Å; R110-N113 PolarHBondContact O-N 2.85Å; Q111-N113 VanDerWaalsContact C-N 3.32Å; Q111-N113 PolarHBondContact O-N 3.05Å; N113-R116 PolarHBondContact O-N 2.96Å; N113-V117 WeakPolarHBondContact O-CG2 3.47Å; N113-V117 PolarHBondContact O-N 2.99Å; N113-V117 VanDerWaalsContact O-N 3.12Å
114	I	96.2	Very high	94.2	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-42.5	177.1	-63.5	-52.4	0	0	0	111	W60 R110 Q111 R116 V117 A118 F135 D142 A146	W60-I114 HydrophobicContact CH2-CG2 4Å; W60-I114 HydrophobicContact CZ2-CD1 4.2Å; W60-I114 HydrophobicContact CZ2-CG2 3.77Å; R110-I114 WeakPolarHBondContact O-CG1 3.38Å; R110-I114 PolarHBondContact O-N 3.1Å; Q111-I114 PolarHBondContact O-N 3.01Å; I114-R116 PolarHBondContact O-N 3.43Å; I114-V117 PolarHBondContact O-N 3.26Å; I114-A118 WeakPolarHBondContact O-CB 3.36Å; I114-A118 PolarHBondContact O-N 2.77Å; I114-F135 HydrophobicContact CD1-CB 4.11Å; I114-F135 HydrophobicContact CD1-CD1 4.22Å; I114-F135 HydrophobicContact CD1-CG 4.38Å; I114-D142 HydrophobicContact CB-CB 4.29Å; I114-D142 HydrophobicContact CG1-CB 4.45Å; I114-D142 HydrophobicContact CG2-CB 3.99Å; I114-A146 HydrophobicContact CG2-CB 4.38Å
115	R	97.4	Very high	94.5	Very high	105 Å²	105	52.2 Å²	52.2	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-47.7	176.2	-166.7	-165	66.6	74.5	2.5	112.1	Q111 E112 V117 A118 E119 I149	Q111-R115 PolarHBondContact O-N 3.43Å; E112-R115 PolarHBondContact O-N 3.17Å; E112-R115 IonicContact OE1-CZ 3.72Å; E112-R115 IonicContact OE1-NE 3.83Å; E112-R115 IonicContact OE1-NH2 2.77Å; E112-R115 PolarHBondContact OE1-NH2 3.4Å; E112-R115 IonicContact OE2-CZ 3.39Å; E112-R115 IonicContact OE2-NE 2.73Å; E112-R115 PolarHBondContact OE2-NE 3.18Å; E112-R115 IonicContact OE2-NH2 3.19Å; E112-R115 PolarHBondContact OE2-NH2 3.11Å; R115-V117 VanDerWaalsContact C-N 3.35Å; R115-V117 PolarHBondContact O-N 3.22Å; R115-A118 PolarHBondContact O-N 3.04Å; R115-E119 IonicContact NH1-OE1 3.94Å; R115-E119 WeakPolarHBondContact O-CG 3.22Å; R115-E119 PolarHBondContact O-N 3.17Å; R115-I149 HydrophobicContact CG-CD1 4.01Å
116	R	97.6	Very high	94.8	Very high	51 Å²	51	47.1 Å²	47.1	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-42.2	177.9	-74.5	178.1	-172.7	-168.3	6.5	112.5	L99 N102 E112 N113 I114 E119 V120	L99-R116 HydrophobicContact CD2-CB 3.99Å; L99-R116 HydrophobicContact CG-CB 4.32Å; L99-R116 PolarHBondContact O-NH1 2.81Å; N102-R116 PolarHBondContact OD1-NH1 3.17Å; E112-R116 WeakPolarHBondContact O-CB 3.47Å; E112-R116 VanDerWaalsContact O-CG 3.32Å; E112-R116 WeakPolarHBondContact O-CG 3.39Å; E112-R116 PolarHBondContact O-N 2.85Å; E112-R116 IonicContact OE1-CZ 3.55Å; E112-R116 IonicContact OE1-NE 2.81Å; E112-R116 PolarHBondContact OE1-NE 3.46Å; E112-R116 IonicContact OE1-NH2 3.4Å; E112-R116 PolarHBondContact OE1-NH2 2.89Å; N113-R116 PolarHBondContact O-N 2.96Å; I114-R116 PolarHBondContact O-N 3.43Å; R116-E119 PolarHBondContact O-N 3.23Å; R116-V120 WeakPolarHBondContact O-CG2 3.1Å; R116-V120 PolarHBondContact O-N 3.44Å; R116-V120 VanDerWaalsContact O-N 3.14Å
117	V	97.3	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-42.9	176.7	170.9	0	0	0	0	110.7	W60 L90 I95 N113 I114 R115 E119 V120 A121 A133 F135	W60-V117 HydrophobicContact CH2-CB 4.07Å; W60-V117 HydrophobicContact CH2-CG1 3.57Å; W60-V117 HydrophobicContact CZ2-CG1 4.47Å; W60-V117 HydrophobicContact CZ3-CG1 3.8Å; L90-V117 HydrophobicContact CD1-CG1 4.39Å; I95-V117 HydrophobicContact CG1-CG2 4.45Å; I95-V117 HydrophobicContact CG2-CG2 3.86Å; N113-V117 WeakPolarHBondContact O-CG2 3.47Å; N113-V117 PolarHBondContact O-N 2.99Å; N113-V117 VanDerWaalsContact O-N 3.12Å; I114-V117 PolarHBondContact O-N 3.26Å; R115-V117 VanDerWaalsContact C-N 3.35Å; R115-V117 PolarHBondContact O-N 3.22Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 2.85Å; V117-V120 PolarHBondContact O-N 2.9Å; V117-A121 VanDerWaalsContact O-CB 3.32Å; V117-A121 WeakPolarHBondContact O-CB 3.25Å; V117-A121 PolarHBondContact O-N 3.43Å; V117-A133 HydrophobicContact CG1-CB 4.38Å; V117-F135 HydrophobicContact CB-CE1 4.32Å; V117-F135 HydrophobicContact CB-CE2 4.4Å; V117-F135 HydrophobicContact CB-CZ 4.1Å; V117-F135 HydrophobicContact CG1-CD2 3.87Å; V117-F135 HydrophobicContact CG1-CE1 4.1Å; V117-F135 HydrophobicContact CG1-CE2 3.35Å; V117-F135 HydrophobicContact CG1-CG 4.49Å; V117-F135 HydrophobicContact CG1-CZ 3.49Å; V117-F135 VanDerWaalsContact CG1-CZ 3.49Å; V117-F135 HydrophobicContact CG2-CD1 4.26Å; V117-F135 HydrophobicContact CG2-CE1 3.42Å; V117-F135 VanDerWaalsContact CG2-CE1 3.42Å; V117-F135 HydrophobicContact CG2-CE2 4.19Å; V117-F135 HydrophobicContact CG2-CZ 3.42Å; V117-F135 VanDerWaalsContact CG2-CZ 3.42Å
118	A	98	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-41.8	177.7	0	0	0	0	0	112.2	W60 I114 R115 A121 K122 A146 I149 H150	W60-A118 HydrophobicContact CH2-CB 4.32Å; W60-A118 HydrophobicContact CZ3-CB 4.17Å; I114-A118 WeakPolarHBondContact O-CB 3.36Å; I114-A118 PolarHBondContact O-N 2.77Å; R115-A118 PolarHBondContact O-N 3.04Å; A118-A121 PolarHBondContact O-N 3.2Å; A118-K122 VanDerWaalsContact O-CB 3.31Å; A118-K122 WeakPolarHBondContact O-CB 3.35Å; A118-K122 PolarHBondContact O-N 2.95Å; A118-A146 HydrophobicContact CB-CB 3.68Å; A118-I149 HydrophobicContact CB-CB 4.49Å; A118-I149 HydrophobicContact CB-CD1 3.84Å; A118-I149 HydrophobicContact CB-CG2 4.37Å; A118-H150 PolarHBondContact O-CE1 3.22Å; A118-H150 VanDerWaalsContact O-CE1 3.26Å
119	E	97.8	Very high	95	Very high	62 Å²	62	37.4 Å²	37.4	29%	0.29	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-42.9	175.1	-67.5	-72.1	-171.1	0	0	112.2	R115 R116 V117 K122 L123	R115-E119 IonicContact NH1-OE1 3.94Å; R115-E119 WeakPolarHBondContact O-CG 3.22Å; R115-E119 PolarHBondContact O-N 3.17Å; R116-E119 PolarHBondContact O-N 3.23Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 2.85Å; E119-K122 IonicContact OE2-NZ 2.68Å; E119-K122 PolarHBondContact OE2-NZ 2.94Å; E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.36Å
120	V	97.6	Very high	95.1	Very high	35 Å²	35	35.3 Å²	35.3	21%	0.212	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-42.6	177.9	172.3	0	0	0	0	111.8	L90 L99 R116 V117 K122 L123 F124	L90-V120 HydrophobicContact CD1-CB 4.49Å; L90-V120 HydrophobicContact CD1-CG1 4Å; L90-V120 HydrophobicContact CD2-CG1 4.39Å; L99-V120 HydrophobicContact CD2-CG2 3.58Å; R116-V120 WeakPolarHBondContact O-CG2 3.1Å; R116-V120 PolarHBondContact O-N 3.44Å; R116-V120 VanDerWaalsContact O-N 3.14Å; V117-V120 PolarHBondContact O-N 2.9Å; V120-K122 VanDerWaalsContact C-N 3.31Å; V120-K122 PolarHBondContact O-N 3.36Å; V120-L123 WeakPolarHBondContact O-CB 3.43Å; V120-L123 PolarHBondContact O-N 2.93Å; V120-L123 VanDerWaalsContact O-N 3.11Å; V120-F124 HydrophobicContact CG1-CD2 3.8Å; V120-F124 HydrophobicContact CG1-CE2 3.63Å; V120-F124 WeakPolarHBondContact O-CD2 3.41Å; V120-F124 PolarHBondContact O-N 2.68Å
121	A	98	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-42.6	178	0	0	0	0	0	111.5	T58 L90 V117 A118 L123 F124 A125 C131	T58-A121 HydrophobicContact CG2-CB 3.9Å; T58-A121 PolarHBondContact OG1-O 3.32Å; L90-A121 HydrophobicContact CD1-CB 4.03Å; V117-A121 VanDerWaalsContact O-CB 3.32Å; V117-A121 WeakPolarHBondContact O-CB 3.25Å; V117-A121 PolarHBondContact O-N 3.43Å; A118-A121 PolarHBondContact O-N 3.2Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 3.41Å; A121-F124 PolarHBondContact O-N 3.05Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 2.8Å; A121-C131 VanDerWaalsContact CA-SG 3.54Å; A121-C131 HydrophobicContact CB-CB 4.32Å
122	K	97.1	Very high	95.6	Very high	27 Å²	27	29.8 Å²	29.8	12%	0.117	14%	0.143	C	C	.	.	H	α-helix	trans	-57.1	-43.4	172.8	-177.6	-164.2	76.3	-167.7	0	111.8	A118 E119 V120 A125 D126 I149 H150 E153 V155	A118-K122 VanDerWaalsContact O-CB 3.31Å; A118-K122 WeakPolarHBondContact O-CB 3.35Å; A118-K122 PolarHBondContact O-N 2.95Å; E119-K122 IonicContact OE2-NZ 2.68Å; E119-K122 PolarHBondContact OE2-NZ 2.94Å; V120-K122 VanDerWaalsContact C-N 3.31Å; V120-K122 PolarHBondContact O-N 3.36Å; K122-A125 PolarHBondContact O-N 3.29Å; K122-D126 VanDerWaalsContact O-CB 3.25Å; K122-D126 WeakPolarHBondContact O-CB 3.33Å; K122-D126 PolarHBondContact O-N 2.97Å; K122-I149 HydrophobicContact CB-CG2 4.4Å; K122-I149 HydrophobicContact CD-CG2 3.89Å; K122-I149 VanDerWaalsContact CD-O 3.25Å; K122-I149 WeakPolarHBondContact CD-O 3.39Å; K122-H150 PolarHBondContact N-NE2 3.47Å; K122-E153 HydrophobicContact CD-CB 4.27Å; K122-E153 HydrophobicContact CD-CG 3.84Å; K122-V155 HydrophobicContact CG-CG2 4.17Å
123	L	95.3	Very high	95.7	Very high	104 Å²	104	27.4 Å²	27.4	55%	0.545	13%	0.132	S	C	.	.	H	α-helix	trans	-64.7	-41.2	178.5	-69.8	172.5	0	0	0	112.4	E119 V120 A121 D126 S127	E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.36Å; V120-L123 WeakPolarHBondContact O-CB 3.43Å; V120-L123 PolarHBondContact O-N 2.93Å; V120-L123 VanDerWaalsContact O-N 3.11Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 3.41Å; L123-D126 PolarHBondContact O-N 2.73Å; L123-S127 WeakPolarHBondContact O-CB 3.17Å; L123-S127 PolarHBondContact O-N 3.15Å
124	F	95.4	Very high	95.8	Very high	55 Å²	55	27.4 Å²	27.4	24%	0.241	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-45	173.9	-83.8	-69.6	0	0	0	111.8	Y88 L90 V120 A121 S127 M129 C131	Y88-F124 HydrophobicContact CD1-CE1 4.05Å; Y88-F124 HydrophobicContact CD1-CE2 4.06Å; Y88-F124 AromaticContact CD1-CZ 3.71Å; Y88-F124 HydrophobicContact CD1-CZ 3.71Å; Y88-F124 HydrophobicContact CE1-CE2 4.42Å; Y88-F124 AromaticContact CE1-CZ 3.99Å; Y88-F124 HydrophobicContact CE1-CZ 3.99Å; Y88-F124 HydrophobicContact CG-CE1 4.03Å; Y88-F124 HydrophobicContact CG-CZ 4.16Å; L90-F124 HydrophobicContact CD2-CD2 4.29Å; L90-F124 HydrophobicContact CD2-CE2 3.87Å; V120-F124 HydrophobicContact CG1-CD2 3.8Å; V120-F124 HydrophobicContact CG1-CE2 3.63Å; V120-F124 WeakPolarHBondContact O-CD2 3.41Å; V120-F124 PolarHBondContact O-N 2.68Å; A121-F124 PolarHBondContact O-N 3.05Å; F124-S127 PolarHBondContact O-N 2.59Å; F124-S127 PolarHBondContact O-OG 3.43Å; F124-M129 HydrophobicContact CD1-SD 4.08Å; F124-M129 PolarHBondContact O-N 3.41Å; F124-C131 HydrophobicContact CB-CB 3.75Å
125	A	94.4	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-43.6	177.4	0	0	0	0	0	112.3	A121 K122 S127 G128 M129 V155	A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 2.8Å; K122-A125 PolarHBondContact O-N 3.29Å; A125-S127 PolarHBondContact O-N 2.91Å; A125-G128 PolarHBondContact O-N 3.18Å; A125-M129 WeakPolarHBondContact CA-O 3.44Å; A125-V155 HydrophobicContact CB-CG1 3.41Å; A125-V155 VanDerWaalsContact CB-CG1 3.41Å
126	D	92.2	Very high	95.5	Very high	34 Å²	34	25 Å²	25	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-23.9	175.6	-169.1	58.5	0	0	0	113.2	R44 K122 L123 G128 V155	R44-D126 IonicContact CZ-OD2 2.87Å; R44-D126 VanDerWaalsContact NH1-CG 3.29Å; R44-D126 PolarHBondContact NH1-O 2.87Å; R44-D126 IonicContact NH1-OD1 3.23Å; R44-D126 IonicContact NH1-OD2 3.07Å; R44-D126 PolarHBondContact NH1-OD2 3.46Å; R44-D126 IonicContact NH2-OD2 3.54Å; K122-D126 VanDerWaalsContact O-CB 3.25Å; K122-D126 WeakPolarHBondContact O-CB 3.33Å; K122-D126 PolarHBondContact O-N 2.97Å; L123-D126 PolarHBondContact O-N 2.73Å; D126-G128 PolarHBondContact O-N 3.16Å; D126-V155 HydrophobicContact CB-CG2 4.46Å
127	S	91.5	Very high	95.4	Very high	40 Å²	40	22.7 Å²	22.7	28%	0.28	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.4	171.8	80.2	0	0	0	0	114	R44 L123 F124 A125	R44-S127 WeakPolarHBondContact CB-O 3.5Å; L123-S127 WeakPolarHBondContact O-CB 3.17Å; L123-S127 PolarHBondContact O-N 3.15Å; F124-S127 PolarHBondContact O-N 2.59Å; F124-S127 PolarHBondContact O-OG 3.43Å; A125-S127 PolarHBondContact O-N 2.91Å
128	G	88.9	Confident	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	29.2	-179.1	0	0	0	0	0	113.9	V48 F54 A125 D126	V48-G128 WeakPolarHBondContact CG2-O 3.2Å; F54-G128 WeakPolarHBondContact CE1-O 3.49Å; A125-G128 PolarHBondContact O-N 3.18Å; D126-G128 PolarHBondContact O-N 3.16Å
129	M	91.7	Very high	95	Very high	49 Å²	49	24.4 Å²	24.4	24%	0.241	13%	0.127	C	C	.	.	S	Bend	trans	-119	159.4	177.4	-54.4	-177.2	104.6	0	0	111.6	G56 C57 P86 F124 A125	G56-M129 CarbonylContact C-O 3.55Å; G56-M129 WeakPolarHBondContact CA-O 3.38Å; C57-M129 PolarHBondContact N-O 3.33Å; C57-M129 VanDerWaalsContact N-O 3.12Å; P86-M129 HydrophobicContact CB-CB 4.42Å; P86-M129 HydrophobicContact CB-CE 3.94Å; P86-M129 HydrophobicContact CB-CG 4.05Å; P86-M129 WeakPolarHBondContact O-CA 3.09Å; F124-M129 HydrophobicContact CD1-SD 4.08Å; F124-M129 PolarHBondContact O-N 3.41Å; A125-M129 WeakPolarHBondContact CA-O 3.44Å
130	I	94.4	Very high	94.9	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	-82.4	113.8	163.9	-57.5	-171.9	0	0	0	108.9	F54 C57 I59 L80 I85 P86 C87 Y88 L132 L232	F54-I130 HydrophobicContact CE2-CD1 4.17Å; F54-I130 HydrophobicContact CE2-CG1 3.9Å; F54-I130 HydrophobicContact CZ-CD1 4.44Å; F54-I130 HydrophobicContact CZ-CG1 3.79Å; C57-I130 CarbonylContact O-C 3.56Å; C57-I130 WeakPolarHBondContact O-CA 3.08Å; I59-I130 HydrophobicContact CD1-CG2 3.67Å; I59-I130 HydrophobicContact CG1-CG2 3.92Å; L80-I130 HydrophobicContact CD1-CB 4.33Å; L80-I130 HydrophobicContact CD1-CD1 3.93Å; L80-I130 HydrophobicContact CD1-CG2 4.17Å; L80-I130 HydrophobicContact CD2-CD1 4.07Å; I85-I130 HydrophobicContact CG2-CD1 3.79Å; I85-I130 HydrophobicContact CG2-CG1 4.18Å; P86-I130 PolarHBondContact O-N 2.81Å; C87-I130 CarbonylContact C-O 3.59Å; C87-I130 WeakPolarHBondContact CA-O 3.33Å; C87-I130 HydrophobicContact CB-CB 3.99Å; C87-I130 WeakPolarHBondContact CB-O 3.28Å; Y88-I130 PolarHBondContact N-O 3.15Å; I130-L132 HydrophobicContact CG2-CD2 3.59Å; I130-L132 HydrophobicContact CG2-CG 4.34Å; I130-L232 HydrophobicContact CD1-CD2 3.72Å
131	C	97.7	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122	172.9	-168.5	0	0	0	0	110.5	C57 T58 I59 L90 A121 F124	C57-C131 PolarHBondContact O-N 3.46Å; T58-C131 WeakPolarHBondContact CA-O 3.4Å; I59-C131 PolarHBondContact N-O 3.1Å; L90-C131 WeakPolarHBondContact CD1-SG 3.25Å; A121-C131 VanDerWaalsContact CA-SG 3.54Å; A121-C131 HydrophobicContact CB-CB 4.32Å; F124-C131 HydrophobicContact CB-CB 3.75Å
132	L	98.3	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	102.8	-179.8	-51.8	175.2	0	0	0	109.2	I59 F61 S73 L76 E77 L80 Y88 G89 L90 I130	I59-L132 HydrophobicContact CB-CD2 3.87Å; I59-L132 HydrophobicContact CD1-CD2 3.69Å; I59-L132 HydrophobicContact CG1-CD2 4.07Å; F61-L132 HydrophobicContact CE2-CB 4.36Å; F61-L132 HydrophobicContact CE2-CD2 4.31Å; S73-L132 WeakPolarHBondContact O-CD1 3.47Å; S73-L132 VanDerWaalsContact OG-CB 3.31Å; S73-L132 WeakPolarHBondContact OG-CB 3.49Å; L76-L132 HydrophobicContact CD2-CD2 3.82Å; L76-L132 HydrophobicContact CG-CD1 4.47Å; L76-L132 HydrophobicContact CG-CD2 4.46Å; E77-L132 HydrophobicContact CB-CD1 3.64Å; E77-L132 HydrophobicContact CG-CD1 4.23Å; L80-L132 HydrophobicContact CD1-CD2 4.46Å; Y88-L132 PolarHBondContact O-N 3.31Å; G89-L132 CarbonylContact C-O 3.6Å; G89-L132 WeakPolarHBondContact CA-O 3.36Å; L90-L132 PolarHBondContact N-O 3.17Å; I130-L132 HydrophobicContact CG2-CD2 3.59Å; I130-L132 HydrophobicContact CG2-CG 4.34Å
133	A	97.9	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.2	-177.6	0	0	0	0	0	110.8	I59 W60 F61 V117 F135	I59-A133 PolarHBondContact O-N 3.44Å; W60-A133 CarbonylContact C-O 3.6Å; W60-A133 HydrophobicContact CD2-CB 4.09Å; W60-A133 HydrophobicContact CE3-CB 3.67Å; W60-A133 HydrophobicContact CZ3-CB 4.04Å; F61-A133 PolarHBondContact N-O 3.37Å; V117-A133 HydrophobicContact CG1-CB 4.38Å; A133-F135 HydrophobicContact CB-CD2 3.99Å; A133-F135 HydrophobicContact CB-CE2 4.01Å
134	A	97.1	Very high	94.8	Very high	6 Å²	6	25.8 Å²	25.8	5%	0.05	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	95	-179.1	0	0	0	0	0	112.3	F61 K69 L90	F61-A134 HydrophobicContact CB-CB 4.43Å; K69-A134 HydrophobicContact CB-CB 4.17Å; L90-A134 PolarHBondContact O-N 2.94Å
135	F	95.1	Very high	94.9	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.035	13%	0.133	C	C	.	.			trans	-130.7	155.8	-173.6	-70	-98.3	0	0	0	111.5	W60 F61 T62 K69 L90 I95 I114 V117 A133	W60-F135 HydrophobicContact CZ2-CB 4.44Å; F61-F135 PolarHBondContact O-N 2.8Å; T62-F135 WeakPolarHBondContact CA-O 3.48Å; K69-F135 WeakPolarHBondContact CD-O 3.43Å; K69-F135 VanDerWaalsContact CE-C 3.49Å; K69-F135 WeakPolarHBondContact CE-O 3.42Å; L90-F135 HydrophobicContact CB-CE2 4.1Å; L90-F135 HydrophobicContact CB-CZ 4.45Å; L90-F135 WeakPolarHBondContact O-CE2 3.49Å; I95-F135 HydrophobicContact CB-CZ 4.43Å; I95-F135 HydrophobicContact CG1-CZ 4.02Å; I114-F135 HydrophobicContact CD1-CB 4.11Å; I114-F135 HydrophobicContact CD1-CD1 4.22Å; I114-F135 HydrophobicContact CD1-CG 4.38Å; V117-F135 HydrophobicContact CB-CE1 4.32Å; V117-F135 HydrophobicContact CB-CE2 4.4Å; V117-F135 HydrophobicContact CB-CZ 4.1Å; V117-F135 HydrophobicContact CG1-CD2 3.87Å; V117-F135 HydrophobicContact CG1-CE1 4.1Å; V117-F135 HydrophobicContact CG1-CE2 3.35Å; V117-F135 HydrophobicContact CG1-CG 4.49Å; V117-F135 HydrophobicContact CG1-CZ 3.49Å; V117-F135 VanDerWaalsContact CG1-CZ 3.49Å; V117-F135 HydrophobicContact CG2-CD1 4.26Å; V117-F135 HydrophobicContact CG2-CE1 3.42Å; V117-F135 VanDerWaalsContact CG2-CE1 3.42Å; V117-F135 HydrophobicContact CG2-CE2 4.19Å; V117-F135 HydrophobicContact CG2-CZ 3.42Å; V117-F135 VanDerWaalsContact CG2-CZ 3.42Å; A133-F135 HydrophobicContact CB-CD2 3.99Å; A133-F135 HydrophobicContact CB-CE2 4.01Å
136	I	93.1	Very high	95	Very high	55 Å²	55	25.8 Å²	25.8	28%	0.282	13%	0.133	S	C	.	.			trans	-63.8	-48.5	172.9	-61.8	176.3	0	0	0	109.2	T62 P138 T192	T62-I136 PolarHBondContact OG1-O 2.85Å; I136-P138 HydrophobicContact CG2-CB 4.2Å; I136-P138 HydrophobicContact CG2-CG 4.44Å; I136-T192 HydrophobicContact CG2-CG2 3.73Å
137	S	93.9	Very high	95.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.014	13%	0.13	C	C	.	.			trans	39.7	64	-179	55.3	0	0	0	0	112.4	W60 T62 F139 R143	W60-S137 PolarHBondContact NE1-OG 3.28Å; W60-S137 VanDerWaalsContact NE1-OG 3.17Å; T62-S137 VanDerWaalsContact CB-OG 3.25Å; T62-S137 WeakPolarHBondContact CB-OG 3.33Å; T62-S137 PolarHBondContact OG1-O 2.78Å; T62-S137 PolarHBondContact OG1-OG 3.11Å; S137-F139 PolarHBondContact O-N 2.79Å; S137-R143 WeakPolarHBondContact O-CD 3.39Å; S137-R143 PolarHBondContact O-NH1 3.25Å
138	P	92.9	Very high	95.6	Very high	7 Å²	7	29.4 Å²	29.4	5%	0.045	14%	0.141	C	C	.	.			trans	-71	-26.9	-164.3	28.1	-34.7	0	0	0	114.3	I136 R143 T192 Y198 E199	I136-P138 HydrophobicContact CG2-CB 4.2Å; I136-P138 HydrophobicContact CG2-CG 4.44Å; P138-R143 PolarHBondContact O-NH1 2.83Å; P138-T192 HydrophobicContact CB-CG2 3.82Å; P138-Y198 HydrophobicContact CB-CD2 4.13Å; P138-E199 WeakPolarHBondContact O-CB 3.28Å; P138-E199 PolarHBondContact O-N 3.33Å
139	F	94.6	Very high	96	Very high	29 Å²	29	30.6 Å²	30.6	13%	0.127	15%	0.148	C	C	.	.			trans	-94.9	134.4	-176.5	-54.2	-62.8	0	0	0	110.6	K107 S137 E141 D142 R143 E199	K107-F139 HydrophobicContact CG-CE2 4.11Å; K107-F139 HydrophobicContact CG-CZ 4.45Å; S137-F139 PolarHBondContact O-N 2.79Å; F139-E141 VanDerWaalsContact C-N 3.29Å; F139-E141 PolarHBondContact O-N 3.09Å; F139-D142 PolarHBondContact O-N 3.33Å; F139-R143 PolarHBondContact O-N 3.05Å; F139-E199 WeakPolarHBondContact CA-OE2 3.46Å
140	Q	95.9	Very high	96.3	Very high	50 Å²	50	28.3 Å²	28.3	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-37.6	178.8	-175.7	175.2	6.8	0	0	111.4	D142 R143 L144 E199 E202	Q140-D142 PolarHBondContact O-N 3.33Å; Q140-R143 PolarHBondContact O-N 2.81Å; Q140-L144 HydrophobicContact CG-CD1 4.11Å; Q140-L144 HydrophobicContact CG-CG 4.38Å; Q140-L144 WeakPolarHBondContact O-CG 3.26Å; Q140-L144 PolarHBondContact O-N 3.33Å; Q140-E199 HydrophobicContact CB-CB 4.34Å; Q140-E199 WeakPolarHBondContact CB-OE2 3.49Å; Q140-E199 PolarHBondContact N-OE2 2.73Å; Q140-E202 PolarHBondContact NE2-OE2 3.38Å
141	E	96.1	Very high	96.4	Very high	116 Å²	116	33.6 Å²	33.6	54%	0.542	16%	0.161	S	C	.	.	H	α-helix	trans	-55.8	-48.9	176.3	-173.5	174.7	-166.4	0	0	111.8	F139 R143 L144 D145	F139-E141 VanDerWaalsContact C-N 3.29Å; F139-E141 PolarHBondContact O-N 3.09Å; E141-R143 VanDerWaalsContact C-N 3.3Å; E141-R143 PolarHBondContact O-N 3.46Å; E141-L144 PolarHBondContact O-N 3.26Å; E141-D145 PolarHBondContact O-N 3.2Å
142	D	96.2	Very high	96.2	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-37.1	-180	-65.5	-17.6	0	0	0	112.3	Q111 I114 F139 Q140 A146	Q111-D142 WeakPolarHBondContact CG-OD1 3.34Å; I114-D142 HydrophobicContact CB-CB 4.29Å; I114-D142 HydrophobicContact CG1-CB 4.45Å; I114-D142 HydrophobicContact CG2-CB 3.99Å; F139-D142 PolarHBondContact O-N 3.33Å; Q140-D142 PolarHBondContact O-N 3.33Å; D142-A146 WeakPolarHBondContact O-CB 3.39Å; D142-A146 PolarHBondContact O-N 3.36Å
143	R	97.1	Very high	95.8	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-72.5	-38.9	178.1	-61.9	-168.1	-52.8	-91	-2	111.8	S137 P138 F139 Q140 E141 D145 A146 R147 E159 E199 P201	S137-R143 WeakPolarHBondContact O-CD 3.39Å; S137-R143 PolarHBondContact O-NH1 3.25Å; P138-R143 PolarHBondContact O-NH1 2.83Å; F139-R143 PolarHBondContact O-N 3.05Å; Q140-R143 PolarHBondContact O-N 2.81Å; E141-R143 VanDerWaalsContact C-N 3.3Å; E141-R143 PolarHBondContact O-N 3.46Å; R143-D145 VanDerWaalsContact C-N 3.33Å; R143-A146 PolarHBondContact O-N 2.94Å; R143-R147 PolarHBondContact O-N 3.45Å; R143-E159 WeakPolarHBondContact CD-OE1 3.33Å; R143-E159 IonicContact CZ-OE1 2.76Å; R143-E159 IonicContact NE-OE1 3.67Å; R143-E159 PolarHBondContact NE-OE1 2.79Å; R143-E199 VanDerWaalsContact CZ-O 3.28Å; R143-E199 PolarHBondContact NH1-O 3.49Å; R143-E199 PolarHBondContact NH2-O 3.03Å; R143-P201 VanDerWaalsContact NH2-CA 3.29Å
144	L	97.1	Very high	95.5	Very high	78 Å²	78	42.4 Å²	42.4	41%	0.408	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-39.4	173.5	-72	174.1	0	0	0	111.4	Q140 E141 R147 K148	Q140-L144 HydrophobicContact CG-CD1 4.11Å; Q140-L144 HydrophobicContact CG-CG 4.38Å; Q140-L144 WeakPolarHBondContact O-CG 3.26Å; Q140-L144 PolarHBondContact O-N 3.33Å; E141-L144 PolarHBondContact O-N 3.26Å; L144-R147 WeakPolarHBondContact O-CB 3.14Å; L144-R147 PolarHBondContact O-N 3.25Å; L144-K148 VanDerWaalsContact O-CG 3.31Å; L144-K148 WeakPolarHBondContact O-CG 3.48Å; L144-K148 PolarHBondContact O-N 3Å
145	D	96.9	Very high	95.3	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-68.9	-39.8	175.7	-74.6	-12.1	0	0	0	112.1	E141 R143 R147 K148 I149	E141-D145 PolarHBondContact O-N 3.2Å; R143-D145 VanDerWaalsContact C-N 3.33Å; D145-R147 VanDerWaalsContact C-N 3.3Å; D145-R147 PolarHBondContact O-N 3Å; D145-K148 PolarHBondContact O-N 3.43Å; D145-K148 IonicContact OD1-NZ 2.77Å; D145-K148 PolarHBondContact OD1-NZ 3.11Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 3.33Å
146	A	97.6	Very high	95.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-42.7	171.1	0	0	0	0	0	111.8	W60 I114 A118 D142 R143 I149 H150 F157	W60-A146 HydrophobicContact CH2-CB 4.19Å; W60-A146 HydrophobicContact CZ2-CB 4.49Å; W60-A146 HydrophobicContact CZ3-CB 4.27Å; I114-A146 HydrophobicContact CG2-CB 4.38Å; A118-A146 HydrophobicContact CB-CB 3.68Å; D142-A146 WeakPolarHBondContact O-CB 3.39Å; D142-A146 PolarHBondContact O-N 3.36Å; R143-A146 PolarHBondContact O-N 2.94Å; A146-I149 PolarHBondContact O-N 3.24Å; A146-H150 PolarHBondContact O-N 2.96Å; A146-H150 PolarHBondContact O-ND1 3.34Å; A146-F157 HydrophobicContact CB-CE2 4.24Å; A146-F157 HydrophobicContact CB-CZ 4.31Å
147	R	97.9	Very high	95.5	Very high	33 Å²	33	44.2 Å²	44.2	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-48	174.4	-179.8	-178.9	-65.6	-89.5	5	111.9	R143 L144 D145 I149 H150 E151 F157 E159 E205	R143-R147 PolarHBondContact O-N 3.45Å; L144-R147 WeakPolarHBondContact O-CB 3.14Å; L144-R147 PolarHBondContact O-N 3.25Å; D145-R147 VanDerWaalsContact C-N 3.3Å; D145-R147 PolarHBondContact O-N 3Å; R147-I149 VanDerWaalsContact C-N 3.28Å; R147-I149 PolarHBondContact O-N 2.64Å; R147-H150 PolarHBondContact O-N 2.85Å; R147-E151 WeakPolarHBondContact CD-OE1 3.47Å; R147-E151 HydrophobicContact CG-CG 4.21Å; R147-E151 VanDerWaalsContact CG-OE1 3.22Å; R147-E151 WeakPolarHBondContact CG-OE1 3.1Å; R147-E151 WeakPolarHBondContact O-CG 3.38Å; R147-E151 PolarHBondContact O-N 2.75Å; R147-F157 HydrophobicContact CB-CD1 3.89Å; R147-F157 HydrophobicContact CB-CE1 4.03Å; R147-F157 HydrophobicContact CB-CG 4.27Å; R147-F157 HydrophobicContact CG-CB 4.44Å; R147-F157 HydrophobicContact CG-CD1 3.98Å; R147-F157 HydrophobicContact CG-CG 4.34Å; R147-F157 PolarHBondContact NH1-O 2.82Å; R147-E159 IonicContact NH2-OE2 2.7Å; R147-E159 PolarHBondContact NH2-OE2 3.19Å; R147-E205 IonicContact CZ-OE1 2.9Å; R147-E205 VanDerWaalsContact CZ-OE1 3.25Å; R147-E205 IonicContact CZ-OE2 2.85Å; R147-E205 IonicContact NH1-OE1 3.72Å; R147-E205 PolarHBondContact NH1-OE1 3.03Å; R147-E205 IonicContact NH1-OE2 3.95Å; R147-E205 VanDerWaalsContact NH2-CD 3.3Å; R147-E205 IonicContact NH2-OE1 3.33Å; R147-E205 PolarHBondContact NH2-OE1 2.85Å; R147-E205 IonicContact NH2-OE2 2.65Å; R147-E205 PolarHBondContact NH2-OE2 2.85Å
148	K	97.7	Very high	95.7	Very high	117 Å²	117	44.6 Å²	44.6	51%	0.509	22%	0.218	S	C	.	.	H	α-helix	trans	-57.1	-39	177.3	-70.9	170.6	-160.1	157	0	112.6	L144 D145 H150 E151 S152	L144-K148 VanDerWaalsContact O-CG 3.31Å; L144-K148 WeakPolarHBondContact O-CG 3.48Å; L144-K148 PolarHBondContact O-N 3Å; D145-K148 PolarHBondContact O-N 3.43Å; D145-K148 IonicContact OD1-NZ 2.77Å; D145-K148 PolarHBondContact OD1-NZ 3.11Å; K148-H150 VanDerWaalsContact C-N 3.26Å; K148-H150 PolarHBondContact O-N 2.82Å; K148-E151 PolarHBondContact O-N 2.83Å; K148-S152 WeakPolarHBondContact O-CB 3.4Å; K148-S152 PolarHBondContact O-N 3.45Å
149	I	97.5	Very high	96	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-36.7	176.3	-73.2	166.3	0	0	0	111.6	R115 A118 K122 D145 A146 R147 S152	R115-I149 HydrophobicContact CG-CD1 4.01Å; A118-I149 HydrophobicContact CB-CB 4.49Å; A118-I149 HydrophobicContact CB-CD1 3.84Å; A118-I149 HydrophobicContact CB-CG2 4.37Å; K122-I149 HydrophobicContact CB-CG2 4.4Å; K122-I149 HydrophobicContact CD-CG2 3.89Å; K122-I149 VanDerWaalsContact CD-O 3.25Å; K122-I149 WeakPolarHBondContact CD-O 3.39Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 3.33Å; A146-I149 PolarHBondContact O-N 3.24Å; R147-I149 VanDerWaalsContact C-N 3.28Å; R147-I149 PolarHBondContact O-N 2.64Å; I149-S152 PolarHBondContact O-OG 3.34Å
150	H	97.7	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-79	-45.1	178.2	-69.2	71.7	0	0	0	111.4	T58 A118 K122 A146 R147 K148 S152 E153 N154 V155 F157	T58-H150 VanDerWaalsContact CB-NE2 3.33Å; T58-H150 WeakPolarHBondContact CB-NE2 3.46Å; T58-H150 PolarHBondContact OG1-CD2 3.22Å; T58-H150 PolarHBondContact OG1-NE2 2.95Å; A118-H150 PolarHBondContact O-CE1 3.22Å; A118-H150 VanDerWaalsContact O-CE1 3.26Å; K122-H150 PolarHBondContact N-NE2 3.47Å; A146-H150 PolarHBondContact O-N 2.96Å; A146-H150 PolarHBondContact O-ND1 3.34Å; R147-H150 PolarHBondContact O-N 2.85Å; K148-H150 VanDerWaalsContact C-N 3.26Å; K148-H150 PolarHBondContact O-N 2.82Å; H150-S152 VanDerWaalsContact C-N 3.27Å; H150-S152 PolarHBondContact O-N 2.81Å; H150-E153 CarbonylContact O-C 3.59Å; H150-E153 PolarHBondContact O-N 2.71Å; H150-E153 VanDerWaalsContact O-N 3.1Å; H150-N154 PolarHBondContact O-N 2.99Å; H150-V155 CarbonylContact C-O 3.54Å; H150-V155 HydrophobicContact CB-CB 4.1Å; H150-V155 HydrophobicContact CB-CG1 4.34Å; H150-V155 WeakPolarHBondContact O-CB 3.26Å; H150-V155 PolarHBondContact O-N 3.45Å; H150-F157 HydrophobicContact CB-CB 3.99Å; H150-F157 HydrophobicContact CB-CD2 4.24Å; H150-F157 AromaticContact CD2-CD2 3.99Å; H150-F157 AromaticContact CE1-CD2 3.77Å; H150-F157 AromaticContact CE1-CE2 3.99Å; H150-F157 AromaticContact CG-CD2 3.68Å; H150-F157 AromaticContact ND1-CD2 3.53Å; H150-F157 AromaticContact ND1-CE2 3.99Å
151	E	95.9	Very high	96.3	Very high	111 Å²	111	41.8 Å²	41.8	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-32.7	179.9	-71.3	174.3	173.8	0	0	112.5	R147 K148 E153 N154	R147-E151 WeakPolarHBondContact CD-OE1 3.47Å; R147-E151 HydrophobicContact CG-CG 4.21Å; R147-E151 VanDerWaalsContact CG-OE1 3.22Å; R147-E151 WeakPolarHBondContact CG-OE1 3.1Å; R147-E151 WeakPolarHBondContact O-CG 3.38Å; R147-E151 PolarHBondContact O-N 2.75Å; K148-E151 PolarHBondContact O-N 2.83Å; E151-E153 PolarHBondContact O-N 3.11Å; E151-N154 PolarHBondContact O-N 3.25Å
152	S	93.9	Very high	96.4	Very high	47 Å²	47	36.3 Å²	36.3	33%	0.329	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.2	176.6	68.6	0	0	0	0	113.6	K148 I149 H150	K148-S152 WeakPolarHBondContact O-CB 3.4Å; K148-S152 PolarHBondContact O-N 3.45Å; I149-S152 PolarHBondContact O-OG 3.34Å; H150-S152 VanDerWaalsContact C-N 3.27Å; H150-S152 PolarHBondContact O-N 2.81Å
153	E	89.6	Confident	96.4	Very high	21 Å²	21	38.1 Å²	38.1	10%	0.098	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	16.1	174.7	-63.3	-55	143.7	0	0	112.8	K19 Y22 K122 H150 E151 V155	K19-E153 IonicContact NZ-OE2 3.8Å; K19-E153 PolarHBondContact NZ-OE2 2.82Å; Y22-E153 PolarHBondContact OH-OE1 3.48Å; K122-E153 HydrophobicContact CD-CB 4.27Å; K122-E153 HydrophobicContact CD-CG 3.84Å; H150-E153 CarbonylContact O-C 3.59Å; H150-E153 PolarHBondContact O-N 2.71Å; H150-E153 VanDerWaalsContact O-N 3.1Å; E151-E153 PolarHBondContact O-N 3.11Å; E153-V155 HydrophobicContact CB-CG2 4.06Å; E153-V155 PolarHBondContact O-N 2.77Å; E153-V155 VanDerWaalsContact O-N 3.17Å
154	N	91.4	Very high	96.3	Very high	117 Å²	117	38.3 Å²	38.3	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	32.9	-177.6	-166.6	28.3	0	0	0	112.7	R41 H150 E151	R41-N154 VanDerWaalsContact CZ-O 3.27Å; R41-N154 PolarHBondContact NH1-O 2.82Å; R41-N154 PolarHBondContact NH2-O 2.88Å; H150-N154 PolarHBondContact O-N 2.99Å; E151-N154 PolarHBondContact O-N 3.25Å
155	V	93.4	Very high	96.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	19%	0.194	C	C	.	.			trans	-90.9	128	175.2	176.5	0	0	0	0	108.4	K122 A125 D126 H150 E153 F157	K122-V155 HydrophobicContact CG-CG2 4.17Å; A125-V155 HydrophobicContact CB-CG1 3.41Å; A125-V155 VanDerWaalsContact CB-CG1 3.41Å; D126-V155 HydrophobicContact CB-CG2 4.46Å; H150-V155 CarbonylContact C-O 3.54Å; H150-V155 HydrophobicContact CB-CB 4.1Å; H150-V155 HydrophobicContact CB-CG1 4.34Å; H150-V155 WeakPolarHBondContact O-CB 3.26Å; H150-V155 PolarHBondContact O-N 3.45Å; E153-V155 HydrophobicContact CB-CG2 4.06Å; E153-V155 PolarHBondContact O-N 2.77Å; E153-V155 VanDerWaalsContact O-N 3.17Å; V155-F157 PolarHBondContact O-N 2.8Å
156	K	95	Very high	96	Very high	96 Å²	96	37 Å²	37	42%	0.417	19%	0.189	S	C	.	.			trans	-68.1	131.9	177.6	-59.9	-152.9	-152.9	162.6	0	110.2	C57 T58 K229 L231	C57-K156 HydrophobicContact CB-CB 4.08Å; T58-K156 PolarHBondContact N-O 3.19Å; K156-K229 PolarHBondContact NZ-O 2.82Å; K156-L231 HydrophobicContact CB-CD1 4.48Å; K156-L231 HydrophobicContact CB-CD2 4.31Å; K156-L231 HydrophobicContact CD-CD1 4.09Å; K156-L231 HydrophobicContact CD-CD2 3.58Å; K156-L231 HydrophobicContact CD-CG 4Å; K156-L231 HydrophobicContact CG-CD2 4.17Å
157	F	97.5	Very high	95.7	Very high	9 Å²	9	43 Å²	43	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.3	176.9	-176.4	-85.8	0	0	0	109	T58 W60 A146 R147 H150 V155 E159	T58-F157 HydrophobicContact CG2-CD2 4.05Å; T58-F157 HydrophobicContact CG2-CE2 4.19Å; W60-F157 HydrophobicContact CB-CE1 4.05Å; W60-F157 HydrophobicContact CB-CE2 3.83Å; W60-F157 HydrophobicContact CB-CZ 3.44Å; W60-F157 VanDerWaalsContact CB-CZ 3.44Å; W60-F157 AromaticContact CD2-CE2 3.96Å; W60-F157 HydrophobicContact CD2-CE2 3.96Å; W60-F157 AromaticContact CD2-CZ 3.83Å; W60-F157 HydrophobicContact CD2-CZ 3.83Å; W60-F157 AromaticContact CE3-CE2 3.61Å; W60-F157 HydrophobicContact CE3-CE2 3.61Å; W60-F157 AromaticContact CE3-CZ 3.99Å; W60-F157 HydrophobicContact CE3-CZ 3.99Å; W60-F157 HydrophobicContact CG-CE2 4.09Å; W60-F157 AromaticContact CG-CZ 3.61Å; W60-F157 HydrophobicContact CG-CZ 3.61Å; W60-F157 HydrophobicContact CZ3-CE2 4.43Å; A146-F157 HydrophobicContact CB-CE2 4.24Å; A146-F157 HydrophobicContact CB-CZ 4.31Å; R147-F157 HydrophobicContact CB-CD1 3.89Å; R147-F157 HydrophobicContact CB-CE1 4.03Å; R147-F157 HydrophobicContact CB-CG 4.27Å; R147-F157 HydrophobicContact CG-CB 4.44Å; R147-F157 HydrophobicContact CG-CD1 3.98Å; R147-F157 HydrophobicContact CG-CG 4.34Å; R147-F157 PolarHBondContact NH1-O 2.82Å; H150-F157 HydrophobicContact CB-CB 3.99Å; H150-F157 HydrophobicContact CB-CD2 4.24Å; H150-F157 AromaticContact CD2-CD2 3.99Å; H150-F157 AromaticContact CE1-CD2 3.77Å; H150-F157 AromaticContact CE1-CE2 3.99Å; H150-F157 AromaticContact CG-CD2 3.68Å; H150-F157 AromaticContact ND1-CD2 3.53Å; H150-F157 AromaticContact ND1-CE2 3.99Å; V155-F157 PolarHBondContact O-N 2.8Å; F157-E159 HydrophobicContact CE1-CB 4.06Å
158	I	97.9	Very high	95.5	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.7	-179.6	-56	-61.4	0	0	0	108.1	T58 I59 W60 V160 E205 I206 L226 L231	T58-I158 PolarHBondContact O-N 3.14Å; I59-I158 CarbonylContact C-O 3.56Å; I59-I158 WeakPolarHBondContact CA-O 3.19Å; W60-I158 PolarHBondContact N-O 2.99Å; I158-V160 HydrophobicContact CG2-CG2 4.34Å; I158-E205 HydrophobicContact CD1-CG 4.32Å; I158-E205 HydrophobicContact CG2-CB 3.96Å; I158-I206 HydrophobicContact CG2-CD1 3.95Å; I158-I206 HydrophobicContact CG2-CG1 4.19Å; I158-L226 HydrophobicContact CG1-CD2 4.34Å; I158-L231 HydrophobicContact CD1-CD1 4.15Å; I158-L231 HydrophobicContact CG1-CD1 4.07Å
159	E	98.5	Very high	95.3	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.051	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.5	176.7	-170.9	172.8	-158.6	0	0	110.3	T62 R143 R147 F157 P201 A204 E205 I206	T62-E159 HydrophobicContact CG2-CG 4.29Å; R143-E159 WeakPolarHBondContact CD-OE1 3.33Å; R143-E159 IonicContact CZ-OE1 2.76Å; R143-E159 IonicContact NE-OE1 3.67Å; R143-E159 PolarHBondContact NE-OE1 2.79Å; R147-E159 IonicContact NH2-OE2 2.7Å; R147-E159 PolarHBondContact NH2-OE2 3.19Å; F157-E159 HydrophobicContact CE1-CB 4.06Å; E159-P201 WeakPolarHBondContact OE1-CB 3.47Å; E159-A204 HydrophobicContact CG-CB 4.31Å; E159-E205 WeakPolarHBondContact CA-OE2 3.47Å; E159-E205 VanDerWaalsContact CB-OE2 3.26Å; E159-E205 WeakPolarHBondContact CB-OE2 3.38Å; E159-E205 PolarHBondContact N-OE2 3.32Å; E159-E205 PolarHBondContact O-N 2.63Å; E159-E205 VanDerWaalsContact O-N 3.11Å; E159-I206 PolarHBondContact O-N 2.93Å
160	V	98.6	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	109.5	178.6	-174.7	0	0	0	0	109.1	I59 W60 F61 T62 I158 V162 I206 L208	I59-V160 HydrophobicContact CG2-CG2 3.49Å; I59-V160 VanDerWaalsContact CG2-CG2 3.49Å; W60-V160 PolarHBondContact O-N 3.01Å; F61-V160 WeakPolarHBondContact CA-O 3.27Å; F61-V160 HydrophobicContact CD1-CB 3.72Å; F61-V160 HydrophobicContact CD1-CG1 3.62Å; F61-V160 HydrophobicContact CD1-CG2 4.29Å; F61-V160 HydrophobicContact CE1-CB 4.04Å; F61-V160 HydrophobicContact CE1-CG1 3.79Å; F61-V160 HydrophobicContact CE1-CG2 4.16Å; F61-V160 HydrophobicContact CG-CB 4.3Å; T62-V160 PolarHBondContact N-O 3.27Å; I158-V160 HydrophobicContact CG2-CG2 4.34Å; V160-V162 HydrophobicContact CG1-CG2 4.49Å; V160-V162 PolarHBondContact O-N 3.36Å; V160-I206 CarbonylContact C-O 3.57Å; V160-I206 WeakPolarHBondContact CA-O 3.09Å; V160-I206 HydrophobicContact CB-CB 4.47Å; V160-I206 HydrophobicContact CG1-CB 4.19Å; V160-I206 HydrophobicContact CG1-CG2 4.26Å; V160-I206 HydrophobicContact CG2-CB 4.13Å; V160-I206 HydrophobicContact CG2-CD1 4.1Å; V160-I206 HydrophobicContact CG2-CG1 4.41Å; V160-L208 HydrophobicContact CG1-CD1 3.43Å; V160-L208 VanDerWaalsContact CG1-CD1 3.43Å; V160-L208 HydrophobicContact CG1-CG 3.78Å
161	H	98.5	Very high	94.8	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.069	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.9	174.4	-175.8	-154.7	0	0	0	110.9	S163 Y198 P201 A204 I206 I207 L208	H161-S163 VanDerWaalsContact CE1-CB 3.49Å; H161-S163 WeakPolarHBondContact CE1-CB 3.35Å; H161-S163 PolarHBondContact O-N 3.47Å; H161-S163 VanDerWaalsContact O-N 3.14Å; H161-Y198 PolarHBondContact CD2-OH 2.89Å; H161-Y198 AromaticContact NE2-CE1 3.71Å; H161-Y198 AromaticContact NE2-CZ 3.95Å; H161-Y198 PolarHBondContact NE2-OH 2.97Å; H161-P201 HydrophobicContact CB-CG 3.53Å; H161-A204 HydrophobicContact CB-CB 3.85Å; H161-I206 PolarHBondContact N-O 2.95Å; H161-I207 HydrophobicContact CB-CG1 4.4Å; H161-I207 WeakPolarHBondContact O-CA 3.43Å; H161-L208 PolarHBondContact O-N 3.01Å
162	V	97.9	Very high	94.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	83.6	171.7	-168.2	0	0	0	0	108.9	F61 T62 A67 K69 I72 V160 T164 L208 A210	F61-V162 HydrophobicContact CB-CG2 4.45Å; F61-V162 HydrophobicContact CD1-CG2 4.13Å; T62-V162 PolarHBondContact O-N 2.8Å; A67-V162 HydrophobicContact CB-CB 4.41Å; A67-V162 HydrophobicContact CB-CG1 4.06Å; A67-V162 WeakPolarHBondContact O-CG1 3.27Å; K69-V162 HydrophobicContact CG-CB 4.05Å; K69-V162 HydrophobicContact CG-CG2 3.91Å; I72-V162 HydrophobicContact CD1-CG1 4.04Å; I72-V162 HydrophobicContact CD1-CG2 4.43Å; V160-V162 HydrophobicContact CG1-CG2 4.49Å; V160-V162 PolarHBondContact O-N 3.36Å; V162-T164 PolarHBondContact O-N 3.12Å; V162-L208 CarbonylContact C-O 3.54Å; V162-L208 WeakPolarHBondContact CA-O 3.31Å; V162-A210 HydrophobicContact CG1-CB 3.82Å
163	S	96.6	Very high	94	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	23%	0.228	S	C	.	.			trans	-78.6	50.4	-172.2	-173.2	0	0	0	0	113.3	H161 L208	H161-S163 VanDerWaalsContact CE1-CB 3.49Å; H161-S163 WeakPolarHBondContact CE1-CB 3.35Å; H161-S163 PolarHBondContact O-N 3.47Å; H161-S163 VanDerWaalsContact O-N 3.14Å; S163-L208 PolarHBondContact N-O 2.85Å
164	T	95.1	Very high	93.4	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.037	25%	0.246	C	C	.	.			trans	-79.1	133	173.4	-57.3	0	0	0	0	109.8	A67 V162 V168	A67-T164 PolarHBondContact O-OG1 3.12Å; V162-T164 PolarHBondContact O-N 3.12Å; T164-V168 HydrophobicContact CG2-CB 3.72Å; T164-V168 HydrophobicContact CG2-CG1 3.52Å
165	T	93.9	Very high	92.1	Very high	66 Å²	66	51.8 Å²	51.8	41%	0.405	25%	0.254	S	S	.	.			trans	-65.3	156	-178	82.3	0	0	0	0	111.9	E167 V168 C169	T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 WeakPolarHBondContact CB-OE2 3.47Å; T165-E167 PolarHBondContact O-N 3.44Å; T165-E167 PolarHBondContact OG1-OE2 2.85Å; T165-V168 PolarHBondContact O-N 3.11Å; T165-V168 PolarHBondContact OG1-N 2.83Å; T165-C169 PolarHBondContact O-N 3.27Å; T165-C169 PolarHBondContact O-SG 3.27Å
166	L	93	Very high	91	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-40	179.6	179.2	63.5	0	0	0	111.3	L64 V168 C169 E170 Y180 G193 I194	L64-L166 HydrophobicContact CD1-CB 4Å; L64-L166 HydrophobicContact CD1-CD1 4.13Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 3.12Å; L166-C169 WeakPolarHBondContact O-CB 3.25Å; L166-C169 PolarHBondContact O-N 2.92Å; L166-C169 VanDerWaalsContact O-N 3.15Å; L166-E170 HydrophobicContact CD1-CG 4.2Å; L166-E170 HydrophobicContact CG-CG 4.31Å; L166-E170 WeakPolarHBondContact O-CG 3.49Å; L166-E170 PolarHBondContact O-N 2.83Å; L166-Y180 HydrophobicContact CD1-CD1 4.28Å; L166-Y180 HydrophobicContact CD1-CE1 3.46Å; L166-Y180 VanDerWaalsContact CD1-CE1 3.46Å; L166-G193 VanDerWaalsContact CD2-O 3.26Å; L166-G193 WeakPolarHBondContact CD2-O 3.2Å; L166-I194 HydrophobicContact CD1-CD1 4.4Å
167	E	92.9	Very high	90.1	Very high	129 Å²	129	54.9 Å²	54.9	60%	0.603	29%	0.285	S	S	*	.	H	α-helix	trans	-61	-43.7	-179.9	-57.6	74.5	-160.8	0	0	111.4	T165 E170 Q171	T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 WeakPolarHBondContact CB-OE2 3.47Å; T165-E167 PolarHBondContact O-N 3.44Å; T165-E167 PolarHBondContact OG1-OE2 2.85Å; E167-E170 PolarHBondContact O-N 2.84Å; E167-Q171 WeakPolarHBondContact O-CB 3.35Å; E167-Q171 PolarHBondContact O-N 3.43Å
168	V	93.2	Very high	89.6	Confident	35 Å²	35	57.1 Å²	57.1	21%	0.212	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-38.5	176.5	175.6	0	0	0	0	110.7	T164 T165 L166 Q171 R172	T164-V168 HydrophobicContact CG2-CB 3.72Å; T164-V168 HydrophobicContact CG2-CG1 3.52Å; T165-V168 PolarHBondContact O-N 3.11Å; T165-V168 PolarHBondContact OG1-N 2.83Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 3.12Å; V168-Q171 PolarHBondContact O-N 2.66Å; V168-R172 VanDerWaalsContact O-CG 3.26Å; V168-R172 WeakPolarHBondContact O-CG 3.48Å; V168-R172 PolarHBondContact O-N 3.17Å; V168-R172 VanDerWaalsContact O-N 3.12Å
169	C	93.6	Very high	89.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-44	176.1	-65.8	0	0	0	0	112.2	S65 T165 L166 R172 D173 Y180	S65-C169 WeakPolarHBondContact O-CB 3.35Å; T165-C169 PolarHBondContact O-N 3.27Å; T165-C169 PolarHBondContact O-SG 3.27Å; L166-C169 WeakPolarHBondContact O-CB 3.25Å; L166-C169 PolarHBondContact O-N 2.92Å; L166-C169 VanDerWaalsContact O-N 3.15Å; C169-R172 PolarHBondContact O-N 3.37Å; C169-D173 PolarHBondContact O-N 3.46Å; C169-Y180 HydrophobicContact CB-CE2 3.87Å; C169-Y180 WeakPolarHBondContact CB-OH 3.12Å
170	E	92.7	Very high	88.9	Confident	64 Å²	64	59 Å²	59	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-40.6	176.1	-74.9	-171.9	169.3	0	0	111.2	L166 E167 R172 D173 Y180 R184 I194	L166-E170 HydrophobicContact CD1-CG 4.2Å; L166-E170 HydrophobicContact CG-CG 4.31Å; L166-E170 WeakPolarHBondContact O-CG 3.49Å; L166-E170 PolarHBondContact O-N 2.83Å; E167-E170 PolarHBondContact O-N 2.84Å; E170-R172 PolarHBondContact O-N 2.91Å; E170-D173 VanDerWaalsContact O-CB 3.28Å; E170-D173 WeakPolarHBondContact O-CB 3.33Å; E170-D173 PolarHBondContact O-N 2.95Å; E170-Y180 HydrophobicContact CB-CG 4.42Å; E170-Y180 HydrophobicContact CG-CD1 3.57Å; E170-Y180 HydrophobicContact CG-CD2 4.33Å; E170-Y180 HydrophobicContact CG-CE1 4.05Å; E170-Y180 HydrophobicContact CG-CG 3.73Å; E170-R184 IonicContact OE1-CZ 3.35Å; E170-R184 IonicContact OE1-NE 3.05Å; E170-R184 PolarHBondContact OE1-NE 3.05Å; E170-R184 IonicContact OE1-NH2 2.78Å; E170-R184 PolarHBondContact OE1-NH2 3Å; E170-I194 VanDerWaalsContact OE1-CD1 3.28Å; E170-I194 WeakPolarHBondContact OE1-CD1 3.35Å
171	Q	91.2	Very high	88.5	Confident	168 Å²	168	64.6 Å²	64.6	79%	0.785	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-35.1	175.4	-173.9	-175.3	7.4	0	0	112.4	E167 V168 D173	E167-Q171 WeakPolarHBondContact O-CB 3.35Å; E167-Q171 PolarHBondContact O-N 3.43Å; V168-Q171 PolarHBondContact O-N 2.66Å; Q171-D173 VanDerWaalsContact C-N 3.32Å
172	R	89.3	Confident	88.2	Confident	107 Å²	107	67.4 Å²	67.4	40%	0.404	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.5	-179.8	-71.8	172.5	-179.5	-177.1	-0.3	114	V168 C169 E170 P174 A210	V168-R172 VanDerWaalsContact O-CG 3.26Å; V168-R172 WeakPolarHBondContact O-CG 3.48Å; V168-R172 PolarHBondContact O-N 3.17Å; V168-R172 VanDerWaalsContact O-N 3.12Å; C169-R172 PolarHBondContact O-N 3.37Å; E170-R172 PolarHBondContact O-N 2.91Å; R172-P174 WeakPolarHBondContact O-CD 3.34Å; R172-A210 PolarHBondContact NH1-O 2.95Å; R172-A210 VanDerWaalsContact NH1-O 3.15Å; R172-A210 PolarHBondContact NH2-O 3.44Å
173	D	84.9	Confident	87.9	Confident	26 Å²	26	67.7 Å²	67.7	14%	0.139	34%	0.344	C	S	.	.			trans	-43.8	110.3	-169.8	-165.9	16.1	0	0	0	111.9	C169 E170 Q171 K175 E178 L179 Y180 K181	C169-D173 PolarHBondContact O-N 3.46Å; E170-D173 VanDerWaalsContact O-CB 3.28Å; E170-D173 WeakPolarHBondContact O-CB 3.33Å; E170-D173 PolarHBondContact O-N 2.95Å; Q171-D173 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.43Å; D173-E178 WeakPolarHBondContact OD1-CA 2.93Å; D173-E178 WeakPolarHBondContact OD2-CA 3.07Å; D173-L179 PolarHBondContact OD1-N 2.98Å; D173-L179 PolarHBondContact OD2-N 3.02Å; D173-Y180 HydrophobicContact CB-CD2 4.2Å; D173-Y180 WeakPolarHBondContact OD2-CB 3.49Å; D173-Y180 PolarHBondContact OD2-N 3.43Å; D173-K181 PolarHBondContact OD2-N 3.11Å
174	P	76.5	Confident	87.7	Confident	73 Å²	73	72.4 Å²	72.4	47%	0.474	36%	0.355	S	S	.	.			trans	-65.3	133.7	-167.5	-20.3	30.6	0	0	0	112.2	R172 S177 E178	R172-P174 WeakPolarHBondContact O-CD 3.34Å; P174-S177 PolarHBondContact O-N 2.85Å; P174-S177 PolarHBondContact O-OG 2.94Å; P174-E178 PolarHBondContact O-N 2.87Å
175	K	64.2	Low	87.6	Confident	183 Å²	183	75.2 Å²	75.2	80%	0.796	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	107.6	167.7	-64.4	-179.9	-178	176.5	0	107.2	D173 E178	D173-K175 PolarHBondContact O-N 3.43Å; K175-E178 HydrophobicContact CG-CG 4.45Å
176	P	69.4	Low	87.4	Confident	123 Å²	123	74.4 Å²	74.4	80%	0.799	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	cis	-118.3	0	44.3	40	-34.9	0	0	0	117.1
177	S	76.6	Confident	87.2	Confident	41 Å²	41	79.3 Å²	79.3	29%	0.287	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.8	-174	57.7	0	0	0	0	112.2	P174 L179 K182	P174-S177 PolarHBondContact O-N 2.85Å; P174-S177 PolarHBondContact O-OG 2.94Å; S177-L179 PolarHBondContact O-N 3.11Å; S177-K182 WeakPolarHBondContact O-CE 3.3Å; S177-K182 PolarHBondContact O-NZ 3.35Å
178	E	86.1	Confident	86.9	Confident	56 Å²	56	75.5 Å²	75.5	26%	0.262	39%	0.388	S	S	.	.			trans	39.4	50.4	178.3	-66.6	-164.5	131.7	0	0	112.3	D173 P174 K175 K181 K182	D173-E178 WeakPolarHBondContact OD1-CA 2.93Å; D173-E178 WeakPolarHBondContact OD2-CA 3.07Å; P174-E178 PolarHBondContact O-N 2.87Å; K175-E178 HydrophobicContact CG-CG 4.45Å; E178-K181 HydrophobicContact CB-CB 4.23Å; E178-K181 HydrophobicContact CB-CD 4.32Å; E178-K181 HydrophobicContact CG-CD 4.49Å; E178-K181 IonicContact OE1-NZ 2.97Å; E178-K181 PolarHBondContact OE1-NZ 3.36Å; E178-K181 IonicContact OE2-NZ 3.55Å; E178-K181 PolarHBondContact OE2-NZ 2.93Å; E178-K182 WeakPolarHBondContact O-CB 3.35Å; E178-K182 VanDerWaalsContact O-CG 3.25Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 3.37Å
179	L	89.4	Confident	86.6	Confident	55 Å²	55	80.4 Å²	80.4	29%	0.288	41%	0.413	S	S	.	.	H	α-helix	trans	-69.6	-42.1	-168.5	-66.6	176.7	0	0	0	112	D173 S177 K182 A183 I188 F191	D173-L179 PolarHBondContact OD1-N 2.98Å; D173-L179 PolarHBondContact OD2-N 3.02Å; S177-L179 PolarHBondContact O-N 3.11Å; L179-K182 PolarHBondContact O-N 3.47Å; L179-A183 WeakPolarHBondContact O-CB 3.45Å; L179-A183 PolarHBondContact O-N 2.73Å; L179-I188 HydrophobicContact CD2-CD1 3.84Å; L179-F191 HydrophobicContact CB-CE2 3.74Å; L179-F191 HydrophobicContact CB-CZ 3.72Å; L179-F191 HydrophobicContact CD1-CE2 4.24Å; L179-F191 HydrophobicContact CD1-CZ 4.44Å; L179-F191 HydrophobicContact CG-CE2 4.47Å
180	Y	92.5	Very high	86.1	Confident	6 Å²	6	81.5 Å²	81.5	2%	0.024	42%	0.424	C	S	.	.	H	α-helix	trans	-65	-43	178.4	-79.9	-73.4	0	0	0	110.9	S65 L166 C169 E170 D173 K182 A183 R184 F191 I194	S65-Y180 WeakPolarHBondContact O-CE2 3.37Å; S65-Y180 PolarHBondContact O-OH 3.37Å; L166-Y180 HydrophobicContact CD1-CD1 4.28Å; L166-Y180 HydrophobicContact CD1-CE1 3.46Å; L166-Y180 VanDerWaalsContact CD1-CE1 3.46Å; C169-Y180 HydrophobicContact CB-CE2 3.87Å; C169-Y180 WeakPolarHBondContact CB-OH 3.12Å; E170-Y180 HydrophobicContact CB-CG 4.42Å; E170-Y180 HydrophobicContact CG-CD1 3.57Å; E170-Y180 HydrophobicContact CG-CD2 4.33Å; E170-Y180 HydrophobicContact CG-CE1 4.05Å; E170-Y180 HydrophobicContact CG-CG 3.73Å; D173-Y180 HydrophobicContact CB-CD2 4.2Å; D173-Y180 WeakPolarHBondContact OD2-CB 3.49Å; D173-Y180 PolarHBondContact OD2-N 3.43Å; Y180-K182 PolarHBondContact O-N 3.27Å; Y180-A183 PolarHBondContact O-N 3.38Å; Y180-R184 WeakPolarHBondContact O-CB 3.49Å; Y180-R184 VanDerWaalsContact O-CG 3.3Å; Y180-R184 WeakPolarHBondContact O-CG 3.4Å; Y180-R184 PolarHBondContact O-N 2.8Å; Y180-F191 HydrophobicContact CD1-CD1 4.28Å; Y180-F191 AromaticContact CD1-CE1 3.64Å; Y180-F191 HydrophobicContact CD1-CE1 3.64Å; Y180-F191 HydrophobicContact CE1-CD1 4.26Å; Y180-F191 AromaticContact CE1-CE1 3.52Å; Y180-F191 HydrophobicContact CE1-CE1 3.52Å; Y180-F191 HydrophobicContact CE1-CZ 4.48Å; Y180-F191 HydrophobicContact CE2-CE1 4.43Å; Y180-F191 HydrophobicContact CG-CE1 4.16Å; Y180-F191 AromaticContact CZ-CE1 3.94Å; Y180-I194 HydrophobicContact CD1-CD1 3.88Å; Y180-I194 HydrophobicContact CD1-CG1 4.06Å; Y180-I194 HydrophobicContact CE1-CD1 4.28Å; Y180-I194 HydrophobicContact CE1-CG1 4.37Å
181	K	90.8	Very high	85.9	Confident	117 Å²	117	79.6 Å²	79.6	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.6	-172.6	-178.7	174.5	-166.1	0	112.3	D173 E178 R184 A185	D173-K181 PolarHBondContact OD2-N 3.11Å; E178-K181 HydrophobicContact CB-CB 4.23Å; E178-K181 HydrophobicContact CB-CD 4.32Å; E178-K181 HydrophobicContact CG-CD 4.49Å; E178-K181 IonicContact OE1-NZ 2.97Å; E178-K181 PolarHBondContact OE1-NZ 3.36Å; E178-K181 IonicContact OE2-NZ 3.55Å; E178-K181 PolarHBondContact OE2-NZ 2.93Å; K181-R184 PolarHBondContact O-N 3.01Å; K181-A185 WeakPolarHBondContact O-CB 3.5Å; K181-A185 PolarHBondContact O-N 2.73Å
182	K	92.6	Very high	85.8	Confident	73 Å²	73	71.9 Å²	71.9	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-65.4	-41.4	175.3	-72.7	172.7	-178.9	162.7	0	112.1	S177 E178 L179 Y180 A185 G186 Q187 I188	S177-K182 WeakPolarHBondContact O-CE 3.3Å; S177-K182 PolarHBondContact O-NZ 3.35Å; E178-K182 WeakPolarHBondContact O-CB 3.35Å; E178-K182 VanDerWaalsContact O-CG 3.25Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 3.37Å; L179-K182 PolarHBondContact O-N 3.47Å; Y180-K182 PolarHBondContact O-N 3.27Å; K182-A185 CarbonylContact O-C 3.3Å; K182-A185 PolarHBondContact O-N 3.15Å; K182-G186 PolarHBondContact O-N 3.47Å; K182-Q187 HydrophobicContact CB-CB 4.24Å; K182-Q187 WeakPolarHBondContact O-CB 3.47Å; K182-Q187 PolarHBondContact O-N 2.89Å; K182-I188 HydrophobicContact CB-CD1 3.63Å; K182-I188 HydrophobicContact CB-CG1 3.92Å; K182-I188 HydrophobicContact CD-CD1 4.13Å
183	A	91.9	Very high	85.8	Confident	7 Å²	7	67.9 Å²	67.9	6%	0.058	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-46.8	175.4	0	0	0	0	0	111.7	L179 Y180 A185 G186 I188 F191 I194	L179-A183 WeakPolarHBondContact O-CB 3.45Å; L179-A183 PolarHBondContact O-N 2.73Å; Y180-A183 PolarHBondContact O-N 3.38Å; A183-A185 VanDerWaalsContact C-N 3.26Å; A183-A185 PolarHBondContact O-N 3.18Å; A183-G186 PolarHBondContact O-N 3.1Å; A183-I188 HydrophobicContact CB-CB 4.41Å; A183-F191 HydrophobicContact CB-CB 3.58Å; A183-F191 HydrophobicContact CB-CD1 3.91Å; A183-F191 HydrophobicContact CB-CD2 4.32Å; A183-F191 HydrophobicContact CB-CG 3.67Å; A183-I194 HydrophobicContact CB-CB 4.41Å; A183-I194 HydrophobicContact CB-CG1 4.18Å; A183-I194 HydrophobicContact CB-CG2 4.36Å
184	R	92.4	Very high	86	Confident	148 Å²	148	68.6 Å²	68.6	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-62.2	-31.5	175.2	-71	-71.4	-171	-162.5	-5.1	112.9	E170 Y180 K181 G186 I194	E170-R184 IonicContact OE1-CZ 3.35Å; E170-R184 IonicContact OE1-NE 3.05Å; E170-R184 PolarHBondContact OE1-NE 3.05Å; E170-R184 IonicContact OE1-NH2 2.78Å; E170-R184 PolarHBondContact OE1-NH2 3Å; Y180-R184 WeakPolarHBondContact O-CB 3.49Å; Y180-R184 VanDerWaalsContact O-CG 3.3Å; Y180-R184 WeakPolarHBondContact O-CG 3.4Å; Y180-R184 PolarHBondContact O-N 2.8Å; K181-R184 PolarHBondContact O-N 3.01Å; R184-G186 PolarHBondContact O-N 2.83Å; R184-I194 HydrophobicContact CG-CD1 4.3Å
185	A	92.3	Very high	86.6	Confident	65 Å²	65	69.2 Å²	69.2	54%	0.537	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.5	173.4	0	0	0	0	0	113.9	K181 K182 A183 Q187	K181-A185 WeakPolarHBondContact O-CB 3.5Å; K181-A185 PolarHBondContact O-N 2.73Å; K182-A185 CarbonylContact O-C 3.3Å; K182-A185 PolarHBondContact O-N 3.15Å; A183-A185 VanDerWaalsContact C-N 3.26Å; A183-A185 PolarHBondContact O-N 3.18Å; A185-Q187 VanDerWaalsContact C-N 3.27Å; A185-Q187 HydrophobicContact CB-CG 4.13Å; A185-Q187 PolarHBondContact O-N 3.26Å
186	G	89.1	Confident	87.8	Confident	49 Å²	49	61.6 Å²	61.6	51%	0.505	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	13.2	-178.6	0	0	0	0	0	114.6	K182 A183 R184	K182-G186 PolarHBondContact O-N 3.47Å; A183-G186 PolarHBondContact O-N 3.1Å; R184-G186 PolarHBondContact O-N 2.83Å
187	Q	90.5	Very high	88.7	Confident	140 Å²	140	58.7 Å²	58.7	65%	0.654	33%	0.331	S	S	*	.	S	Bend	trans	-84.7	-21.2	-178.8	-59.9	177.7	-2.6	0	0	112.7	K182 A185	K182-Q187 HydrophobicContact CB-CB 4.24Å; K182-Q187 WeakPolarHBondContact O-CB 3.47Å; K182-Q187 PolarHBondContact O-N 2.89Å; A185-Q187 VanDerWaalsContact C-N 3.27Å; A185-Q187 HydrophobicContact CB-CG 4.13Å; A185-Q187 PolarHBondContact O-N 3.26Å
188	I	85.8	Confident	89.5	Confident	49 Å²	49	58.5 Å²	58.5	25%	0.251	32%	0.324	S	S	.	.	S	Bend	trans	-122.8	118.1	173.2	-58.9	172.8	0	0	0	107.2	L179 K182 A183 F191	L179-I188 HydrophobicContact CD2-CD1 3.84Å; K182-I188 HydrophobicContact CB-CD1 3.63Å; K182-I188 HydrophobicContact CB-CG1 3.92Å; K182-I188 HydrophobicContact CD-CD1 4.13Å; A183-I188 HydrophobicContact CB-CB 4.41Å; I188-F191 HydrophobicContact CG2-CB 4.28Å; I188-F191 HydrophobicContact CG2-CD2 3.97Å
189	L	86	Confident	90	Very high	139 Å²	139	59.4 Å²	59.4	73%	0.728	33%	0.328	S	S	*	.	S	Bend	trans	-94	148.9	177.3	-60.5	174.6	0	0	0	110.8	F191 D195	L189-F191 VanDerWaalsContact C-N 3.32Å; L189-F191 PolarHBondContact O-N 3.36Å; L189-D195 WeakPolarHBondContact CA-OD2 3.36Å
190	G	83.5	Confident	90.3	Very high	23 Å²	23	60.4 Å²	60.4	24%	0.237	34%	0.338	C	S	.	.	S	Bend	trans	69.8	24.2	179.6	0	0	0	0	0	114.1	R110 T192 D195 S196	R110-G190 PolarHBondContact NH1-O 3.49Å; R110-G190 VanDerWaalsContact NH1-O 3.07Å; R110-G190 PolarHBondContact NH2-O 3.26Å; G190-T192 PolarHBondContact O-N 3.5Å; G190-D195 WeakPolarHBondContact CA-OD1 3.28Å; G190-D195 VanDerWaalsContact N-CG 3.3Å; G190-D195 PolarHBondContact N-OD1 3.37Å; G190-D195 PolarHBondContact N-OD2 3.23Å; G190-S196 WeakPolarHBondContact O-CB 3.47Å
191	F	89	Confident	90.4	Very high	23 Å²	23	60.7 Å²	60.7	10%	0.101	34%	0.34	C	S	.	.			trans	-70.6	126	178.6	-162	-94.7	0	0	0	111.2	L179 Y180 A183 I188 L189 G193 I194 D195 S196	L179-F191 HydrophobicContact CB-CE2 3.74Å; L179-F191 HydrophobicContact CB-CZ 3.72Å; L179-F191 HydrophobicContact CD1-CE2 4.24Å; L179-F191 HydrophobicContact CD1-CZ 4.44Å; L179-F191 HydrophobicContact CG-CE2 4.47Å; Y180-F191 HydrophobicContact CD1-CD1 4.28Å; Y180-F191 AromaticContact CD1-CE1 3.64Å; Y180-F191 HydrophobicContact CD1-CE1 3.64Å; Y180-F191 HydrophobicContact CE1-CD1 4.26Å; Y180-F191 AromaticContact CE1-CE1 3.52Å; Y180-F191 HydrophobicContact CE1-CE1 3.52Å; Y180-F191 HydrophobicContact CE1-CZ 4.48Å; Y180-F191 HydrophobicContact CE2-CE1 4.43Å; Y180-F191 HydrophobicContact CG-CE1 4.16Å; Y180-F191 AromaticContact CZ-CE1 3.94Å; A183-F191 HydrophobicContact CB-CB 3.58Å; A183-F191 HydrophobicContact CB-CD1 3.91Å; A183-F191 HydrophobicContact CB-CD2 4.32Å; A183-F191 HydrophobicContact CB-CG 3.67Å; I188-F191 HydrophobicContact CG2-CB 4.28Å; I188-F191 HydrophobicContact CG2-CD2 3.97Å; L189-F191 VanDerWaalsContact C-N 3.32Å; L189-F191 PolarHBondContact O-N 3.36Å; F191-G193 PolarHBondContact O-N 3.33Å; F191-I194 HydrophobicContact CB-CB 4.49Å; F191-I194 HydrophobicContact CD1-CB 4.45Å; F191-I194 HydrophobicContact CD1-CG1 3.75Å; F191-I194 PolarHBondContact O-N 3.07Å; F191-I194 VanDerWaalsContact O-N 3.14Å; F191-D195 WeakPolarHBondContact CA-OD1 3.45Å; F191-D195 PolarHBondContact N-OD1 2.85Å; F191-D195 PolarHBondContact O-N 3.09Å; F191-S196 PolarHBondContact O-N 3.09Å; F191-S196 VanDerWaalsContact O-N 3.11Å
192	T	89.6	Confident	90.6	Very high	7 Å²	7	62 Å²	62	4%	0.043	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-64.8	126.8	-176.3	-57.2	0	0	0	0	110.6	L64 I136 P138 G190 Y198	L64-T192 HydrophobicContact CD2-CG2 4.16Å; I136-T192 HydrophobicContact CG2-CG2 3.73Å; P138-T192 HydrophobicContact CB-CG2 3.82Å; G190-T192 PolarHBondContact O-N 3.5Å; T192-Y198 HydrophobicContact CG2-CD2 4.14Å; T192-Y198 HydrophobicContact CG2-CG 4.38Å
193	G	88.1	Confident	90.6	Very high	23 Å²	23	64.7 Å²	64.7	24%	0.237	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-7.1	-176.8	0	0	0	0	0	114.9	L166 F191 S196	L166-G193 VanDerWaalsContact CD2-O 3.26Å; L166-G193 WeakPolarHBondContact CD2-O 3.2Å; F191-G193 PolarHBondContact O-N 3.33Å; G193-S196 PolarHBondContact N-O 3.07Å
194	I	90.5	Very high	90.9	Very high	41 Å²	41	65.2 Å²	65.2	21%	0.21	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-68.1	-179.7	-54.3	-66.7	0	0	0	110.8	L166 E170 Y180 A183 R184 F191	L166-I194 HydrophobicContact CD1-CD1 4.4Å; E170-I194 VanDerWaalsContact OE1-CD1 3.28Å; E170-I194 WeakPolarHBondContact OE1-CD1 3.35Å; Y180-I194 HydrophobicContact CD1-CD1 3.88Å; Y180-I194 HydrophobicContact CD1-CG1 4.06Å; Y180-I194 HydrophobicContact CE1-CD1 4.28Å; Y180-I194 HydrophobicContact CE1-CG1 4.37Å; A183-I194 HydrophobicContact CB-CB 4.41Å; A183-I194 HydrophobicContact CB-CG1 4.18Å; A183-I194 HydrophobicContact CB-CG2 4.36Å; R184-I194 HydrophobicContact CG-CD1 4.3Å; F191-I194 HydrophobicContact CB-CB 4.49Å; F191-I194 HydrophobicContact CD1-CB 4.45Å; F191-I194 HydrophobicContact CD1-CG1 3.75Å; F191-I194 PolarHBondContact O-N 3.07Å; F191-I194 VanDerWaalsContact O-N 3.14Å
195	D	88.6	Confident	91.1	Very high	85 Å²	85	61.2 Å²	61.2	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	0.7	178.8	64.9	-28.1	0	0	0	112.8	L189 G190 F191	L189-D195 WeakPolarHBondContact CA-OD2 3.36Å; G190-D195 WeakPolarHBondContact CA-OD1 3.28Å; G190-D195 VanDerWaalsContact N-CG 3.3Å; G190-D195 PolarHBondContact N-OD1 3.37Å; G190-D195 PolarHBondContact N-OD2 3.23Å; F191-D195 WeakPolarHBondContact CA-OD1 3.45Å; F191-D195 PolarHBondContact N-OD1 2.85Å; F191-D195 PolarHBondContact O-N 3.09Å
196	S	88.7	Confident	91.4	Very high	23 Å²	23	58.7 Å²	58.7	16%	0.161	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-123.3	138.8	166.6	177.1	0	0	0	0	110.5	G190 F191 G193	G190-S196 WeakPolarHBondContact O-CB 3.47Å; F191-S196 PolarHBondContact O-N 3.09Å; F191-S196 VanDerWaalsContact O-N 3.11Å; G193-S196 PolarHBondContact N-O 3.07Å
197	A	88.9	Confident	91.8	Very high	63 Å²	63	61.4 Å²	61.4	52%	0.521	34%	0.337	S	S	.	.			trans	-68.3	152.8	178.6	0	0	0	0	0	112.6
198	Y	94.2	Very high	92.1	Very high	36 Å²	36	54.7 Å²	54.7	14%	0.141	31%	0.306	C	S	.	.			trans	-118.7	125.1	163.5	174.2	-97.6	0	0	0	106.9	T62 G63 L64 P138 H161 T192 P200	T62-Y198 PolarHBondContact OG1-OH 3.12Å; G63-Y198 VanDerWaalsContact CA-OH 3.25Å; G63-Y198 WeakPolarHBondContact CA-OH 3.36Å; G63-Y198 PolarHBondContact N-OH 2.79Å; G63-Y198 VanDerWaalsContact N-OH 3.16Å; L64-Y198 HydrophobicContact CD2-CD1 4.21Å; L64-Y198 HydrophobicContact CD2-CD2 4.26Å; L64-Y198 HydrophobicContact CD2-CG 3.78Å; L64-Y198 HydrophobicContact CG-CG 4.5Å; P138-Y198 HydrophobicContact CB-CD2 4.13Å; H161-Y198 PolarHBondContact CD2-OH 2.89Å; H161-Y198 AromaticContact NE2-CE1 3.71Å; H161-Y198 AromaticContact NE2-CZ 3.95Å; H161-Y198 PolarHBondContact NE2-OH 2.97Å; T192-Y198 HydrophobicContact CG2-CD2 4.14Å; T192-Y198 HydrophobicContact CG2-CG 4.38Å; Y198-P200 HydrophobicContact CD1-CG 4.11Å; Y198-P200 HydrophobicContact CE1-CB 4.21Å; Y198-P200 HydrophobicContact CE1-CG 4.06Å; Y198-P200 WeakPolarHBondContact O-CD 3.43Å
199	E	95.4	Very high	92.5	Very high	76 Å²	76	54 Å²	54	36%	0.355	30%	0.303	S	S	.	.			trans	-98.8	102.6	179.6	-64.1	166.2	-171.3	0	0	108.2	P138 F139 Q140 R143	P138-E199 WeakPolarHBondContact O-CB 3.28Å; P138-E199 PolarHBondContact O-N 3.33Å; F139-E199 WeakPolarHBondContact CA-OE2 3.46Å; Q140-E199 HydrophobicContact CB-CB 4.34Å; Q140-E199 WeakPolarHBondContact CB-OE2 3.49Å; Q140-E199 PolarHBondContact N-OE2 2.73Å; R143-E199 VanDerWaalsContact CZ-O 3.28Å; R143-E199 PolarHBondContact NH1-O 3.49Å; R143-E199 PolarHBondContact NH2-O 3.03Å
200	P	95.3	Very high	92.7	Very high	76 Å²	76	48 Å²	48	49%	0.494	27%	0.273	S	S	.	.			trans	-58.9	140.5	178.3	-21.8	34.2	0	0	0	110.9	Y198 E202	Y198-P200 HydrophobicContact CD1-CG 4.11Å; Y198-P200 HydrophobicContact CE1-CB 4.21Å; Y198-P200 HydrophobicContact CE1-CG 4.06Å; Y198-P200 WeakPolarHBondContact O-CD 3.43Å; P200-E202 PolarHBondContact O-N 3.37Å
201	P	95.5	Very high	92.9	Very high	11 Å²	11	48.5 Å²	48.5	7%	0.071	28%	0.278	C	S	.	.			trans	-66.4	130.1	177.5	26.9	-34.3	0	0	0	111.4	T62 R143 E159 H161 A204	T62-P201 HydrophobicContact CG2-CG 4.05Å; R143-P201 VanDerWaalsContact NH2-CA 3.29Å; E159-P201 WeakPolarHBondContact OE1-CB 3.47Å; H161-P201 HydrophobicContact CB-CG 3.53Å; P201-A204 HydrophobicContact CB-CB 4.05Å; P201-A204 HydrophobicContact CG-CB 3.8Å
202	E	93.9	Very high	92.8	Very high	144 Å²	144	55.6 Å²	55.6	67%	0.673	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.5	179.4	-62.8	176.7	147.4	0	0	112.5	Q140 P200	Q140-E202 PolarHBondContact NE2-OE2 3.38Å; P200-E202 PolarHBondContact O-N 3.37Å
203	N	93.8	Very high	92.7	Very high	131 Å²	131	57.2 Å²	57.2	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	42.4	-172.7	-60.9	-63.5	0	0	0	112.5	E205	N203-E205 PolarHBondContact O-N 3.3Å
204	A	96.9	Very high	92.4	Very high	18 Å²	18	57.8 Å²	57.8	15%	0.149	32%	0.323	C	S	.	.			trans	-62.6	136.1	174.1	0	0	0	0	0	110.8	E159 H161 P201 I206 I207	E159-A204 HydrophobicContact CG-CB 4.31Å; H161-A204 HydrophobicContact CB-CB 3.85Å; P201-A204 HydrophobicContact CB-CB 4.05Å; P201-A204 HydrophobicContact CG-CB 3.8Å; A204-I206 PolarHBondContact O-N 2.72Å; A204-I207 HydrophobicContact CB-CG1 4.33Å
205	E	97.9	Very high	92.2	Very high	63 Å²	63	58.5 Å²	58.5	29%	0.294	33%	0.329	S	S	.	.	S	Bend	trans	-63.7	-30.7	176.1	-75	80.4	-176.2	0	0	112.4	R147 I158 E159 N203 H225	R147-E205 IonicContact CZ-OE1 2.9Å; R147-E205 VanDerWaalsContact CZ-OE1 3.25Å; R147-E205 IonicContact CZ-OE2 2.85Å; R147-E205 IonicContact NH1-OE1 3.72Å; R147-E205 PolarHBondContact NH1-OE1 3.03Å; R147-E205 IonicContact NH1-OE2 3.95Å; R147-E205 VanDerWaalsContact NH2-CD 3.3Å; R147-E205 IonicContact NH2-OE1 3.33Å; R147-E205 PolarHBondContact NH2-OE1 2.85Å; R147-E205 IonicContact NH2-OE2 2.65Å; R147-E205 PolarHBondContact NH2-OE2 2.85Å; I158-E205 HydrophobicContact CD1-CG 4.32Å; I158-E205 HydrophobicContact CG2-CB 3.96Å; E159-E205 WeakPolarHBondContact CA-OE2 3.47Å; E159-E205 VanDerWaalsContact CB-OE2 3.26Å; E159-E205 WeakPolarHBondContact CB-OE2 3.38Å; E159-E205 PolarHBondContact N-OE2 3.32Å; E159-E205 PolarHBondContact O-N 2.63Å; E159-E205 VanDerWaalsContact O-N 3.11Å; N203-E205 PolarHBondContact O-N 3.3Å; E205-H225 PolarHBondContact O-CE1 3.03Å
206	I	98	Very high	91.9	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.3	-179.2	-48	-178.1	0	0	0	109.6	I158 E159 V160 H161 A204 L208 V222 H225	I158-I206 HydrophobicContact CG2-CD1 3.95Å; I158-I206 HydrophobicContact CG2-CG1 4.19Å; E159-I206 PolarHBondContact O-N 2.93Å; V160-I206 CarbonylContact C-O 3.57Å; V160-I206 WeakPolarHBondContact CA-O 3.09Å; V160-I206 HydrophobicContact CB-CB 4.47Å; V160-I206 HydrophobicContact CG1-CB 4.19Å; V160-I206 HydrophobicContact CG1-CG2 4.26Å; V160-I206 HydrophobicContact CG2-CB 4.13Å; V160-I206 HydrophobicContact CG2-CD1 4.1Å; V160-I206 HydrophobicContact CG2-CG1 4.41Å; H161-I206 PolarHBondContact N-O 2.95Å; A204-I206 PolarHBondContact O-N 2.72Å; I206-L208 HydrophobicContact CG2-CD2 3.72Å; I206-L208 HydrophobicContact CG2-CG 4.03Å; I206-V222 HydrophobicContact CD1-CB 4.3Å; I206-V222 HydrophobicContact CD1-CG1 4.14Å; I206-V222 HydrophobicContact CD1-CG2 4.15Å; I206-V222 HydrophobicContact CG2-CG2 4.43Å; I206-H225 HydrophobicContact CD1-CB 3.48Å; I206-H225 VanDerWaalsContact CD1-CB 3.48Å; I206-H225 HydrophobicContact CG1-CB 3.98Å
207	I	97.8	Very high	91.6	Very high	106 Å²	106	64.4 Å²	64.4	54%	0.544	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.2	173	-55	175.2	0	0	0	108.6	H161 A204	H161-I207 HydrophobicContact CB-CG1 4.4Å; H161-I207 WeakPolarHBondContact O-CA 3.43Å; A204-I207 HydrophobicContact CB-CG1 4.33Å
208	L	97.3	Very high	91.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.4	-179.1	-57.8	-179.9	0	0	0	110.1	I72 V160 H161 V162 S163 I206 C218 K221 V222	I72-L208 HydrophobicContact CD1-CD1 4.28Å; I72-L208 HydrophobicContact CG2-CD1 4.15Å; V160-L208 HydrophobicContact CG1-CD1 3.43Å; V160-L208 VanDerWaalsContact CG1-CD1 3.43Å; V160-L208 HydrophobicContact CG1-CG 3.78Å; H161-L208 PolarHBondContact O-N 3.01Å; V162-L208 CarbonylContact C-O 3.54Å; V162-L208 WeakPolarHBondContact CA-O 3.31Å; S163-L208 PolarHBondContact N-O 2.85Å; I206-L208 HydrophobicContact CG2-CD2 3.72Å; I206-L208 HydrophobicContact CG2-CG 4.03Å; L208-C218 HydrophobicContact CD1-CB 4.06Å; L208-C218 HydrophobicContact CD2-CB 4.37Å; L208-K221 HydrophobicContact CD2-CB 3.83Å; L208-K221 HydrophobicContact CD2-CD 3.9Å; L208-V222 HydrophobicContact CD1-CG2 3.97Å
209	D	93.6	Very high	91.4	Very high	35 Å²	35	59.8 Å²	59.8	19%	0.187	32%	0.321	C	S	.	.			trans	-101.2	81.1	171.6	-172	-19	0	0	0	109.2	G211 K212 D213	D209-G211 PolarHBondContact O-N 3.02Å; D209-G211 WeakPolarHBondContact OD1-CA 3.38Å; D209-G211 PolarHBondContact OD1-N 3.22Å; D209-G211 VanDerWaalsContact OD1-N 3.1Å; D209-K212 HydrophobicContact CB-CB 4.42Å; D209-K212 PolarHBondContact O-N 3.26Å; D209-K212 PolarHBondContact OD1-N 2.99Å; D209-K212 WeakPolarHBondContact OD2-CD 3.28Å; D209-K212 VanDerWaalsContact OD2-CE 3.28Å; D209-K212 WeakPolarHBondContact OD2-CE 3.34Å; D209-K212 WeakPolarHBondContact OD2-CG 3.49Å; D209-K212 IonicContact OD2-NZ 3.81Å; D209-K212 PolarHBondContact OD2-NZ 3.37Å; D209-D213 WeakPolarHBondContact O-CB 3.5Å; D209-D213 PolarHBondContact O-N 3.15Å
210	A	90.8	Very high	91	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	0.4	179.7	0	0	0	0	0	113.7	A67 I72 V162 R172	A67-A210 WeakPolarHBondContact O-CB 3.43Å; I72-A210 HydrophobicContact CD1-CB 3.79Å; V162-A210 HydrophobicContact CG1-CB 3.82Å; R172-A210 PolarHBondContact NH1-O 2.95Å; R172-A210 VanDerWaalsContact NH1-O 3.15Å; R172-A210 PolarHBondContact NH2-O 3.44Å
211	G	87.5	Confident	90.9	Very high	34 Å²	34	59 Å²	59	35%	0.351	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-31.7	167.5	0	0	0	0	0	112.6	D209	D209-G211 PolarHBondContact O-N 3.02Å; D209-G211 WeakPolarHBondContact OD1-CA 3.38Å; D209-G211 PolarHBondContact OD1-N 3.22Å; D209-G211 VanDerWaalsContact OD1-N 3.1Å
212	K	87	Confident	90.8	Very high	173 Å²	173	58.5 Å²	58.5	75%	0.752	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-41.5	179.7	-63.6	-174.1	-169.7	119.5	0	113.4	D209	D209-K212 HydrophobicContact CB-CB 4.42Å; D209-K212 PolarHBondContact O-N 3.26Å; D209-K212 PolarHBondContact OD1-N 2.99Å; D209-K212 WeakPolarHBondContact OD2-CD 3.28Å; D209-K212 VanDerWaalsContact OD2-CE 3.28Å; D209-K212 WeakPolarHBondContact OD2-CE 3.34Å; D209-K212 WeakPolarHBondContact OD2-CG 3.49Å; D209-K212 IonicContact OD2-NZ 3.81Å; D209-K212 PolarHBondContact OD2-NZ 3.37Å
213	D	86.3	Confident	90.7	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.214	28%	0.275	C	S	.	.	S	Bend	trans	-88.4	142.5	-178.2	-62.4	-39.1	0	0	0	111.1	D209 Q217 K221	D209-D213 WeakPolarHBondContact O-CB 3.5Å; D209-D213 PolarHBondContact O-N 3.15Å; D213-Q217 HydrophobicContact CB-CB 4.25Å; D213-K221 IonicContact OD1-NZ 3.41Å; D213-K221 IonicContact OD2-NZ 2.68Å; D213-K221 PolarHBondContact OD2-NZ 3.47Å
214	G	83.1	Confident	90.4	Very high	35 Å²	35	49.1 Å²	49.1	36%	0.361	26%	0.26	S	S	.	.			trans	-69	157	169.3	0	0	0	0	0	112	Q216 Q217 C218	G214-Q216 VanDerWaalsContact C-N 3.26Å; G214-Q216 PolarHBondContact O-N 3.05Å; G214-Q217 WeakPolarHBondContact O-CB 3.28Å; G214-Q217 PolarHBondContact O-N 3.02Å; G214-C218 PolarHBondContact O-N 3.27Å
215	V	85.5	Confident	90.2	Very high	56 Å²	56	49.8 Å²	49.8	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-52.5	-43.2	-179.3	176.3	0	0	0	0	112.2	T71 I72 A75 C218 V219	T71-V215 HydrophobicContact CG2-CG1 4.34Å; T71-V215 HydrophobicContact CG2-CG2 3.85Å; I72-V215 HydrophobicContact CG1-CG1 4.46Å; A75-V215 HydrophobicContact CB-CG1 3.49Å; A75-V215 VanDerWaalsContact CB-CG1 3.49Å; V215-C218 WeakPolarHBondContact O-CB 3.22Å; V215-C218 PolarHBondContact O-N 3.29Å; V215-V219 HydrophobicContact CG1-CG2 4.49Å; V215-V219 WeakPolarHBondContact O-CG2 3.44Å; V215-V219 PolarHBondContact O-N 3.07Å
216	Q	83	Confident	89.9	Confident	122 Å²	122	46.8 Å²	46.8	57%	0.57	25%	0.246	S	C	*	.	H	α-helix	trans	-68.4	-35.6	179.9	-64.6	-56.7	-33	0	0	112.9	G214 C218 V219 Q220	G214-Q216 VanDerWaalsContact C-N 3.26Å; G214-Q216 PolarHBondContact O-N 3.05Å; Q216-C218 VanDerWaalsContact C-N 3.32Å; Q216-C218 PolarHBondContact O-N 2.87Å; Q216-V219 PolarHBondContact O-N 2.98Å; Q216-Q220 WeakPolarHBondContact O-CB 3.46Å; Q216-Q220 PolarHBondContact O-N 3.17Å
217	Q	82.2	Confident	89.3	Confident	110 Å²	110	48.1 Å²	48.1	51%	0.514	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-39	174.3	-66.8	172.6	-52.1	0	0	111.1	D213 G214 Q220 K221	D213-Q217 HydrophobicContact CB-CB 4.25Å; G214-Q217 WeakPolarHBondContact O-CB 3.28Å; G214-Q217 PolarHBondContact O-N 3.02Å; Q217-Q220 PolarHBondContact O-N 3.23Å; Q217-K221 WeakPolarHBondContact O-CG 3.34Å; Q217-K221 PolarHBondContact O-N 3.05Å; Q217-K221 VanDerWaalsContact O-N 3.08Å
218	C	89.6	Confident	88.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-44.1	172.6	-76	0	0	0	0	112.3	I72 L208 G214 V215 Q216 K221 V222	I72-C218 HydrophobicContact CD1-CB 3.84Å; I72-C218 HydrophobicContact CG1-CB 4.02Å; I72-C218 HydrophobicContact CG2-CB 4.18Å; L208-C218 HydrophobicContact CD1-CB 4.06Å; L208-C218 HydrophobicContact CD2-CB 4.37Å; G214-C218 PolarHBondContact O-N 3.27Å; V215-C218 WeakPolarHBondContact O-CB 3.22Å; V215-C218 PolarHBondContact O-N 3.29Å; Q216-C218 VanDerWaalsContact C-N 3.32Å; Q216-C218 PolarHBondContact O-N 2.87Å; C218-K221 PolarHBondContact O-N 3.3Å; C218-V222 WeakPolarHBondContact O-CG2 3.38Å; C218-V222 PolarHBondContact O-N 3.08Å
219	V	89.9	Confident	88.4	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-46.4	175.2	168.4	0	0	0	0	110.6	I72 A75 L76 V215 Q216 K221 V222 L223	I72-V219 HydrophobicContact CG2-CG2 4.39Å; A75-V219 HydrophobicContact CB-CG2 3.7Å; L76-V219 HydrophobicContact CB-CG1 4.39Å; L76-V219 HydrophobicContact CB-CG2 4.22Å; L76-V219 HydrophobicContact CD1-CG1 3.97Å; V215-V219 HydrophobicContact CG1-CG2 4.49Å; V215-V219 WeakPolarHBondContact O-CG2 3.44Å; V215-V219 PolarHBondContact O-N 3.07Å; Q216-V219 PolarHBondContact O-N 2.98Å; V219-K221 PolarHBondContact O-N 3.43Å; V219-V222 WeakPolarHBondContact O-CB 3.39Å; V219-V222 PolarHBondContact O-N 3.49Å; V219-L223 HydrophobicContact CG1-CD1 3.92Å; V219-L223 HydrophobicContact CG1-CG 4.34Å; V219-L223 WeakPolarHBondContact O-CG 3.47Å; V219-L223 PolarHBondContact O-N 3.05Å
220	Q	86	Confident	87.9	Confident	52 Å²	52	53.8 Å²	53.8	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-47.3	179.4	-169.1	60.2	40.8	0	0	112.1	Q216 Q217 V222 L223 D224	Q216-Q220 WeakPolarHBondContact O-CB 3.46Å; Q216-Q220 PolarHBondContact O-N 3.17Å; Q217-Q220 PolarHBondContact O-N 3.23Å; Q220-V222 PolarHBondContact O-N 3.3Å; Q220-L223 PolarHBondContact O-N 3.43Å; Q220-L223 VanDerWaalsContact O-N 3.07Å; Q220-D224 PolarHBondContact NE2-OD1 3.03Å; Q220-D224 PolarHBondContact O-N 3.19Å
221	K	92.3	Very high	87.7	Confident	84 Å²	84	54 Å²	54	37%	0.365	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-33.9	175.8	-72.6	175.2	-178.5	-177.7	0	112.9	L208 D213 Q217 C218 V219 H225	L208-K221 HydrophobicContact CD2-CB 3.83Å; L208-K221 HydrophobicContact CD2-CD 3.9Å; D213-K221 IonicContact OD1-NZ 3.41Å; D213-K221 IonicContact OD2-NZ 2.68Å; D213-K221 PolarHBondContact OD2-NZ 3.47Å; Q217-K221 WeakPolarHBondContact O-CG 3.34Å; Q217-K221 PolarHBondContact O-N 3.05Å; Q217-K221 VanDerWaalsContact O-N 3.08Å; C218-K221 PolarHBondContact O-N 3.3Å; V219-K221 PolarHBondContact O-N 3.43Å; K221-H225 PolarHBondContact O-N 3.27Å
222	V	95.3	Very high	87.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-46.5	175.7	-179.9	0	0	0	0	110.8	I59 F61 L76 I206 L208 C218 V219 Q220 H225 L226	I59-V222 HydrophobicContact CD1-CG1 4.09Å; I59-V222 HydrophobicContact CG2-CG1 4.46Å; F61-V222 HydrophobicContact CE1-CG2 4.39Å; L76-V222 HydrophobicContact CD1-CG1 4.42Å; L76-V222 HydrophobicContact CD2-CB 4.24Å; L76-V222 HydrophobicContact CD2-CG1 3.57Å; I206-V222 HydrophobicContact CD1-CB 4.3Å; I206-V222 HydrophobicContact CD1-CG1 4.14Å; I206-V222 HydrophobicContact CD1-CG2 4.15Å; I206-V222 HydrophobicContact CG2-CG2 4.43Å; L208-V222 HydrophobicContact CD1-CG2 3.97Å; C218-V222 WeakPolarHBondContact O-CG2 3.38Å; C218-V222 PolarHBondContact O-N 3.08Å; V219-V222 WeakPolarHBondContact O-CB 3.39Å; V219-V222 PolarHBondContact O-N 3.49Å; Q220-V222 PolarHBondContact O-N 3.3Å; V222-H225 PolarHBondContact O-N 2.94Å; V222-L226 HydrophobicContact CG1-CD1 4.06Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 VanDerWaalsContact O-CG 3.28Å; V222-L226 WeakPolarHBondContact O-CG 3.35Å; V222-L226 PolarHBondContact O-N 3.19Å
223	L	90.3	Very high	86.3	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-51.1	176.6	-65.6	170.1	0	0	0	111.3	L76 T79 L80 V219 Q220 H225 L226 E227 L232	L76-L223 HydrophobicContact CD1-CD2 3.62Å; L76-L223 HydrophobicContact CD1-CG 3.95Å; T79-L223 HydrophobicContact CG2-CD1 3.75Å; L80-L223 HydrophobicContact CD2-CD2 3.89Å; V219-L223 HydrophobicContact CG1-CD1 3.92Å; V219-L223 HydrophobicContact CG1-CG 4.34Å; V219-L223 WeakPolarHBondContact O-CG 3.47Å; V219-L223 PolarHBondContact O-N 3.05Å; Q220-L223 PolarHBondContact O-N 3.43Å; Q220-L223 VanDerWaalsContact O-N 3.07Å; L223-H225 VanDerWaalsContact C-N 3.26Å; L223-H225 PolarHBondContact O-N 3.49Å; L223-L226 PolarHBondContact O-N 3.39Å; L223-E227 WeakPolarHBondContact O-CG 3.47Å; L223-E227 PolarHBondContact O-N 3.36Å; L223-L232 HydrophobicContact CD2-CD1 3.67Å
224	D	88.2	Confident	85.2	Confident	72 Å²	72	53 Å²	53	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-55.7	-41.3	178.9	-61.2	-18.3	0	0	0	111.8	Q220 S228 Q235	Q220-D224 PolarHBondContact NE2-OD1 3.03Å; Q220-D224 PolarHBondContact O-N 3.19Å; D224-S228 WeakPolarHBondContact O-CB 3.42Å; D224-S228 PolarHBondContact O-N 3.36Å; D224-Q235 PolarHBondContact OD1-NE2 2.86Å
225	H	93	Very high	83.6	Confident	33 Å²	33	54.2 Å²	54.2	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-47.1	176.9	-172.2	98.7	0	0	0	111.6	E205 I206 K221 V222 L223 E227 S228 K229	E205-H225 PolarHBondContact O-CE1 3.03Å; I206-H225 HydrophobicContact CD1-CB 3.48Å; I206-H225 VanDerWaalsContact CD1-CB 3.48Å; I206-H225 HydrophobicContact CG1-CB 3.98Å; K221-H225 PolarHBondContact O-N 3.27Å; V222-H225 PolarHBondContact O-N 2.94Å; L223-H225 VanDerWaalsContact C-N 3.26Å; L223-H225 PolarHBondContact O-N 3.49Å; H225-E227 VanDerWaalsContact C-N 3.27Å; H225-E227 PolarHBondContact O-N 2.89Å; H225-S228 PolarHBondContact O-N 3.02Å; H225-S228 PolarHBondContact O-OG 3.21Å; H225-K229 WeakPolarHBondContact NE2-CE 3.5Å; H225-K229 WeakPolarHBondContact O-CG 3.38Å; H225-K229 PolarHBondContact O-N 3.42Å; H225-K229 VanDerWaalsContact O-N 3.15Å
226	L	91.6	Very high	81.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-39.7	-179.5	-63.5	169.2	0	0	0	111.2	I59 I158 V222 L223 K229 G230 L231 L232	I59-L226 HydrophobicContact CD1-CD1 3.6Å; I59-L226 HydrophobicContact CD1-CD2 3.83Å; I59-L226 HydrophobicContact CD1-CG 4.23Å; I59-L226 HydrophobicContact CG1-CD2 4.29Å; I158-L226 HydrophobicContact CG1-CD2 4.34Å; V222-L226 HydrophobicContact CG1-CD1 4.06Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 VanDerWaalsContact O-CG 3.28Å; V222-L226 WeakPolarHBondContact O-CG 3.35Å; V222-L226 PolarHBondContact O-N 3.19Å; L223-L226 PolarHBondContact O-N 3.39Å; L226-K229 PolarHBondContact O-N 3.14Å; L226-G230 PolarHBondContact O-N 3.05Å; L226-L231 HydrophobicContact CB-CB 4.17Å; L226-L231 HydrophobicContact CD2-CB 4.24Å; L226-L231 HydrophobicContact CD2-CD1 3.77Å; L226-L231 WeakPolarHBondContact O-CB 3.43Å; L226-L231 PolarHBondContact O-N 3.05Å; L226-L232 HydrophobicContact CB-CB 4.42Å; L226-L232 HydrophobicContact CB-CD1 3.85Å; L226-L232 HydrophobicContact CB-CG 3.69Å; L226-L232 HydrophobicContact CD1-CD1 3.85Å; L226-L232 HydrophobicContact CD1-CG 4.12Å; L226-L232 PolarHBondContact O-N 3.46Å
227	E	85.2	Confident	80.2	Confident	40 Å²	40	51.3 Å²	51.3	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-48.3	174.3	-70.4	169.9	-152.7	0	0	111.9	L223 H225 K229 G230 L232 P233 Q235	L223-E227 WeakPolarHBondContact O-CG 3.47Å; L223-E227 PolarHBondContact O-N 3.36Å; H225-E227 VanDerWaalsContact C-N 3.27Å; H225-E227 PolarHBondContact O-N 2.89Å; E227-K229 PolarHBondContact O-N 3.47Å; E227-G230 PolarHBondContact O-N 2.81Å; E227-L232 HydrophobicContact CG-CB 3.8Å; E227-L232 HydrophobicContact CG-CD1 4.4Å; E227-P233 WeakPolarHBondContact CG-O 3.48Å; E227-Q235 VanDerWaalsContact CD-N 3.34Å; E227-Q235 VanDerWaalsContact CD-NE2 3.29Å; E227-Q235 WeakPolarHBondContact OE1-CB 3.03Å; E227-Q235 VanDerWaalsContact OE1-CD 3.26Å; E227-Q235 WeakPolarHBondContact OE1-CG 3.29Å; E227-Q235 PolarHBondContact OE1-NE2 3.25Å; E227-Q235 VanDerWaalsContact OE2-CB 3.23Å; E227-Q235 WeakPolarHBondContact OE2-CB 3.23Å; E227-Q235 PolarHBondContact OE2-N 3.19Å; E227-Q235 PolarHBondContact OE2-NE2 2.72Å
228	S	87.8	Confident	78.7	Confident	87 Å²	87	52.7 Å²	52.7	61%	0.608	29%	0.287	S	S	*	.	H	α-helix	trans	-59	-21.9	177.4	80.1	0	0	0	0	113.6	D224 H225	D224-S228 WeakPolarHBondContact O-CB 3.42Å; D224-S228 PolarHBondContact O-N 3.36Å; H225-S228 PolarHBondContact O-N 3.02Å; H225-S228 PolarHBondContact O-OG 3.21Å
229	K	88.7	Confident	77.4	Confident	112 Å²	112	55 Å²	55	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4.2	177.1	-62.3	-59	-179.1	-175.8	0	113.6	K156 H225 L226 E227 L231	K156-K229 PolarHBondContact NZ-O 2.82Å; H225-K229 WeakPolarHBondContact NE2-CE 3.5Å; H225-K229 WeakPolarHBondContact O-CG 3.38Å; H225-K229 PolarHBondContact O-N 3.42Å; H225-K229 VanDerWaalsContact O-N 3.15Å; L226-K229 PolarHBondContact O-N 3.14Å; E227-K229 PolarHBondContact O-N 3.47Å; K229-L231 HydrophobicContact CB-CD1 4.27Å; K229-L231 HydrophobicContact CB-CG 4.26Å; K229-L231 PolarHBondContact O-N 2.77Å
230	G	82.8	Confident	76.4	Confident	61 Å²	61	58.5 Å²	58.5	63%	0.629	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	30.4	-174.2	0	0	0	0	0	112.8	L226 E227	L226-G230 PolarHBondContact O-N 3.05Å; E227-G230 PolarHBondContact O-N 2.81Å
231	L	85.8	Confident	76.2	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.073	33%	0.333	C	S	.	.	S	Bend	trans	-90.2	-28.3	175.7	-78.7	174.6	0	0	0	112.4	F54 C57 K156 I158 L226 K229	F54-L231 WeakPolarHBondContact CD2-O 3.33Å; C57-L231 HydrophobicContact CB-CD1 4.26Å; C57-L231 HydrophobicContact CB-CD2 4.04Å; K156-L231 HydrophobicContact CB-CD1 4.48Å; K156-L231 HydrophobicContact CB-CD2 4.31Å; K156-L231 HydrophobicContact CD-CD1 4.09Å; K156-L231 HydrophobicContact CD-CD2 3.58Å; K156-L231 HydrophobicContact CD-CG 4Å; K156-L231 HydrophobicContact CG-CD2 4.17Å; I158-L231 HydrophobicContact CD1-CD1 4.15Å; I158-L231 HydrophobicContact CG1-CD1 4.07Å; L226-L231 HydrophobicContact CB-CB 4.17Å; L226-L231 HydrophobicContact CD2-CB 4.24Å; L226-L231 HydrophobicContact CD2-CD1 3.77Å; L226-L231 WeakPolarHBondContact O-CB 3.43Å; L226-L231 PolarHBondContact O-N 3.05Å; K229-L231 HydrophobicContact CB-CD1 4.27Å; K229-L231 HydrophobicContact CB-CG 4.26Å; K229-L231 PolarHBondContact O-N 2.77Å
232	L	78.9	Confident	76.2	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.047	32%	0.32	C	S	.	.	S	Bend	trans	-108.2	155	164	-65.5	-175.2	0	0	0	108.4	L80 I85 I130 L223 L226 E227	L80-L232 HydrophobicContact CD2-CD1 4Å; L80-L232 HydrophobicContact CD2-CD2 4.03Å; I85-L232 HydrophobicContact CD1-CD1 4.46Å; I85-L232 HydrophobicContact CD1-CD2 3.53Å; I85-L232 HydrophobicContact CD1-CG 4.48Å; I85-L232 HydrophobicContact CG1-CD2 4.34Å; I85-L232 HydrophobicContact CG2-CD2 4.12Å; I130-L232 HydrophobicContact CD1-CD2 3.72Å; L223-L232 HydrophobicContact CD2-CD1 3.67Å; L226-L232 HydrophobicContact CB-CB 4.42Å; L226-L232 HydrophobicContact CB-CD1 3.85Å; L226-L232 HydrophobicContact CB-CG 3.69Å; L226-L232 HydrophobicContact CD1-CD1 3.85Å; L226-L232 HydrophobicContact CD1-CG 4.12Å; L226-L232 PolarHBondContact O-N 3.46Å; E227-L232 HydrophobicContact CG-CB 3.8Å; E227-L232 HydrophobicContact CG-CD1 4.4Å
233	P	67.2	Low	76.1	Confident	39 Å²	39	57.1 Å²	57.1	25%	0.253	33%	0.327	S	S	.	.			trans	-53.4	153.8	158.7	28.1	-35.2	0	0	0	108.8	E227 Q235	E227-P233 WeakPolarHBondContact CG-O 3.48Å; P233-Q235 PolarHBondContact O-N 2.97Å
234	E	63.7	Low	76.4	Confident	179 Å²	179	60.2 Å²	60.2	84%	0.836	34%	0.341	S	S	*	.	S	Bend	trans	-44.3	135.1	165.3	-83	-175.2	166.9	0	0	108.4	I236	E234-I236 PolarHBondContact O-N 3.25Å
235	Q	48.5	Very low	76.9	Confident	60 Å²	60	57.5 Å²	57.5	28%	0.28	33%	0.326	S	S	.	.			trans	-38.6	117.7	-178.6	-132.8	152.2	74.8	0	0	108.6	D224 E227 P233 P237	D224-Q235 PolarHBondContact OD1-NE2 2.86Å; E227-Q235 VanDerWaalsContact CD-N 3.34Å; E227-Q235 VanDerWaalsContact CD-NE2 3.29Å; E227-Q235 WeakPolarHBondContact OE1-CB 3.03Å; E227-Q235 VanDerWaalsContact OE1-CD 3.26Å; E227-Q235 WeakPolarHBondContact OE1-CG 3.29Å; E227-Q235 PolarHBondContact OE1-NE2 3.25Å; E227-Q235 VanDerWaalsContact OE2-CB 3.23Å; E227-Q235 WeakPolarHBondContact OE2-CB 3.23Å; E227-Q235 PolarHBondContact OE2-N 3.19Å; E227-Q235 PolarHBondContact OE2-NE2 2.72Å; P233-Q235 PolarHBondContact O-N 2.97Å; Q235-P237 VanDerWaalsContact C-N 3.33Å; Q235-P237 WeakPolarHBondContact O-CD 3.39Å
236	I	48.9	Very low	77.2	Confident	52 Å²	52	58.6 Å²	58.6	27%	0.267	33%	0.331	S	S	.	.			trans	-58.7	113.8	154.3	-55.9	175.1	0	0	0	101.6	E234 D238 M329	E234-I236 PolarHBondContact O-N 3.25Å; I236-D238 PolarHBondContact O-N 3.3Å; I236-M329 HydrophobicContact CD1-CE 3.96Å; I236-M329 HydrophobicContact CD1-SD 3.51Å; I236-M329 VanDerWaalsContact CD1-SD 3.51Å; I236-M329 HydrophobicContact CG1-CE 3.6Å; I236-M329 HydrophobicContact CG1-SD 3.88Å
237	P	47.5	Very low	77.4	Confident	65 Å²	65	60 Å²	60	42%	0.422	34%	0.34	S	S	.	.			trans	-52.4	141.4	-175.8	18.3	-29.3	0	0	0	107.9	Q235 V239	Q235-P237 VanDerWaalsContact C-N 3.33Å; Q235-P237 WeakPolarHBondContact O-CD 3.39Å; P237-V239 VanDerWaalsContact CB-O 3.3Å; P237-V239 WeakPolarHBondContact CB-O 3.37Å; P237-V239 WeakPolarHBondContact CG-O 3.47Å; P237-V239 CarbonylContact O-C 3.55Å; P237-V239 WeakPolarHBondContact O-CA 3.39Å; P237-V239 PolarHBondContact O-N 3.15Å
238	D	52.2	Low	77.6	Confident	140 Å²	140	64 Å²	64	75%	0.749	37%	0.372	S	S	*	.	S	Bend	trans	-43.9	-28.4	177.8	-84.7	-25.9	0	0	0	111.8	I236	I236-D238 PolarHBondContact O-N 3.3Å
239	V	62.3	Low	77.9	Confident	49 Å²	49	62.8 Å²	62.8	30%	0.297	36%	0.358	S	S	.	.	S	Bend	trans	-121.3	118.8	165.4	-156.1	0	0	0	0	110.4	P237 R434	P237-V239 VanDerWaalsContact CB-O 3.3Å; P237-V239 WeakPolarHBondContact CB-O 3.37Å; P237-V239 WeakPolarHBondContact CG-O 3.47Å; P237-V239 CarbonylContact O-C 3.55Å; P237-V239 WeakPolarHBondContact O-CA 3.39Å; P237-V239 PolarHBondContact O-N 3.15Å; V239-R434 VanDerWaalsContact CG1-NH2 3.26Å
240	P	69.1	Low	78.1	Confident	74 Å²	74	64.3 Å²	64.3	48%	0.481	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-50	143.3	177.8	-28.6	34.3	0	0	0	112.9	R434	P240-R434 VanDerWaalsContact O-CZ 3.31Å; P240-R434 PolarHBondContact O-NH1 2.83Å; P240-R434 PolarHBondContact O-NH2 3.14Å
241	A	82	Confident	78.7	Confident	53 Å²	53	67.8 Å²	67.8	44%	0.438	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-57.1	144.8	177.3	0	0	0	0	0	111.6	W326	A241-W326 HydrophobicContact CB-CH2 4.06Å; A241-W326 HydrophobicContact CB-CZ2 3.86Å
242	V	91.2	Very high	79.2	Confident	15 Å²	15	69.5 Å²	69.5	9%	0.091	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-101.9	119.1	176.1	178.8	0	0	0	0	108.2	E244 G282 P430 R434 A541	V242-E244 HydrophobicContact CG1-CG 4.29Å; V242-E244 PolarHBondContact O-N 3.47Å; V242-E244 VanDerWaalsContact O-N 3.09Å; V242-G282 WeakPolarHBondContact CG1-O 3.47Å; V242-P430 HydrophobicContact CG1-CB 4.25Å; V242-P430 HydrophobicContact CG1-CG 4.34Å; V242-P430 HydrophobicContact CG2-CB 4.2Å; V242-R434 VanDerWaalsContact CG2-CZ 3.4Å; V242-A541 HydrophobicContact CG2-CB 4.32Å
243	R	94	Very high	80.1	Confident	39 Å²	39	70.1 Å²	70.1	15%	0.147	39%	0.39	C	S	.	.			trans	-76.3	93	173.2	-167.1	-178.5	-166.2	162.7	9	109.8	L245 G282 T285 P286 S288 D324 W326	R243-L245 HydrophobicContact CG-CD2 3.99Å; R243-G282 WeakPolarHBondContact O-CA 3.33Å; R243-T285 PolarHBondContact N-OG1 3.33Å; R243-P286 WeakPolarHBondContact CD-O 3.36Å; R243-P286 PolarHBondContact NH1-O 3.12Å; R243-S288 VanDerWaalsContact CZ-CB 3.49Å; R243-D324 IonicContact CZ-OD1 3.26Å; R243-D324 IonicContact CZ-OD2 2.61Å; R243-D324 VanDerWaalsContact NH1-CG 3.26Å; R243-D324 IonicContact NH1-OD1 3.81Å; R243-D324 PolarHBondContact NH1-OD1 3.48Å; R243-D324 VanDerWaalsContact NH1-OD1 3.07Å; R243-D324 IonicContact NH1-OD2 3.35Å; R243-D324 PolarHBondContact NH1-OD2 3.36Å; R243-D324 IonicContact NH2-OD1 2.66Å; R243-D324 PolarHBondContact NH2-OD1 2.79Å; R243-D324 IonicContact NH2-OD2 2.71Å; R243-D324 PolarHBondContact NH2-OD2 2.9Å; R243-W326 VanDerWaalsContact CA-CH2 3.42Å; R243-W326 HydrophobicContact CB-CD2 3.98Å; R243-W326 HydrophobicContact CB-CE3 3.87Å; R243-W326 HydrophobicContact CB-CH2 3.52Å; R243-W326 HydrophobicContact CB-CZ2 3.63Å; R243-W326 HydrophobicContact CB-CZ3 3.65Å; R243-W326 HydrophobicContact CG-CD2 4.09Å; R243-W326 HydrophobicContact CG-CE3 3.63Å; R243-W326 HydrophobicContact CG-CH2 4.02Å; R243-W326 HydrophobicContact CG-CZ2 4.45Å; R243-W326 HydrophobicContact CG-CZ3 3.59Å
244	E	96.9	Very high	81.5	Confident	71 Å²	71	70.9 Å²	70.9	33%	0.332	40%	0.4	S	S	.	.			trans	-78.5	144.4	165.3	-72.1	176.5	140.6	0	0	109.4	V242 F246 A280 T429 N431	V242-E244 HydrophobicContact CG1-CG 4.29Å; V242-E244 PolarHBondContact O-N 3.47Å; V242-E244 VanDerWaalsContact O-N 3.09Å; E244-F246 HydrophobicContact CB-CD2 4.28Å; E244-A280 CarbonylContact C-O 3.52Å; E244-A280 VanDerWaalsContact CA-O 3.27Å; E244-A280 WeakPolarHBondContact CA-O 3.23Å; E244-T429 PolarHBondContact OE1-OG1 2.81Å; E244-N431 PolarHBondContact OE2-ND2 3.14Å
245	L	98.1	Very high	83.1	Confident	15 Å²	15	68.7 Å²	68.7	8%	0.079	39%	0.39	C	S	.	.			trans	-106.9	10.2	-177.8	-49.9	178.5	0	0	0	112.8	R243 L279 A280 S288 V411 V413	R243-L245 HydrophobicContact CG-CD2 3.99Å; L245-L279 HydrophobicContact CD1-CB 3.87Å; L245-A280 PolarHBondContact N-O 2.82Å; L245-S288 WeakPolarHBondContact CD1-O 3.34Å; L245-V411 HydrophobicContact CD1-CB 4.24Å; L245-V413 HydrophobicContact CB-CG2 4.27Å; L245-V413 PolarHBondContact O-N 3.22Å
246	F	97.9	Very high	85.4	Confident	56 Å²	56	66.6 Å²	66.6	25%	0.246	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-70	135	173.2	-61.4	-69.2	0	0	0	110.3	E244 S248 A280 E281 V413	E244-F246 HydrophobicContact CB-CD2 4.28Å; F246-S248 PolarHBondContact O-N 3.01Å; F246-A280 HydrophobicContact CD1-CB 4.4Å; F246-A280 WeakPolarHBondContact CD2-O 3.14Å; F246-A280 HydrophobicContact CE1-CB 3.73Å; F246-A280 HydrophobicContact CE2-CB 4.06Å; F246-A280 VanDerWaalsContact CE2-O 3.29Å; F246-A280 WeakPolarHBondContact CE2-O 3.3Å; F246-A280 HydrophobicContact CZ-CB 3.54Å; F246-E281 HydrophobicContact CE2-CG 3.96Å; F246-E281 HydrophobicContact CZ-CG 3.94Å; F246-V413 WeakPolarHBondContact CA-O 3.37Å; F246-V413 HydrophobicContact CD1-CB 3.88Å; F246-V413 HydrophobicContact CD1-CG1 3.66Å; F246-V413 HydrophobicContact CE1-CB 4.26Å; F246-V413 HydrophobicContact CE1-CG1 3.67Å
247	V	96.9	Very high	87.7	Confident	31 Å²	31	67.2 Å²	67.2	19%	0.188	38%	0.384	C	S	.	.			trans	-67.2	125.7	168.6	-179.1	0	0	0	0	107.9	T252 V253 L256 A412 V413 V414	V247-T252 HydrophobicContact CG1-CG2 3.57Å; V247-V253 HydrophobicContact CB-CG2 3.77Å; V247-V253 HydrophobicContact CG1-CG2 3.74Å; V247-L256 HydrophobicContact CG1-CD1 4.45Å; V247-L256 HydrophobicContact CG2-CD1 3.68Å; V247-A412 HydrophobicContact CG2-CB 3.84Å; V247-V413 PolarHBondContact N-O 3.41Å; V247-V414 HydrophobicContact CG2-CG1 4.44Å
248	S	90.2	Very high	90.1	Very high	122 Å²	122	71.4 Å²	71.4	85%	0.853	40%	0.396	S	S	*	.			trans	-81.3	-19	-168.1	52.7	0	0	0	0	114.6	F246	F246-S248 PolarHBondContact O-N 3.01Å
249	D	92.7	Very high	92.2	Very high	62 Å²	62	67.9 Å²	67.9	33%	0.332	38%	0.375	S	S	.	.			trans	-125.2	142.2	-175.3	78.1	94.1	0	0	0	113.6	L251 T252 V253	D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 WeakPolarHBondContact OD1-CB 3.3Å; D249-L251 PolarHBondContact OD1-N 3.06Å; D249-T252 PolarHBondContact O-N 3.21Å; D249-T252 WeakPolarHBondContact OD1-CB 3.45Å; D249-T252 PolarHBondContact OD1-N 3.11Å; D249-T252 PolarHBondContact OD1-OG1 3.15Å; D249-T252 VanDerWaalsContact OD2-CB 3.24Å; D249-T252 WeakPolarHBondContact OD2-CB 3.33Å; D249-T252 PolarHBondContact OD2-OG1 3.38Å; D249-V253 WeakPolarHBondContact O-CG2 2.97Å; D249-V253 PolarHBondContact O-N 3.43Å; D249-V253 VanDerWaalsContact O-N 3.15Å
250	D	94.2	Very high	93.8	Very high	144 Å²	144	65.9 Å²	65.9	77%	0.77	36%	0.363	S	S	*	.	H	α-helix	trans	-67.1	-26.1	-174.5	-68.2	-26.5	0	0	0	113.5	A254	D250-A254 WeakPolarHBondContact O-CB 3.41Å; D250-A254 PolarHBondContact O-N 3.46Å
251	L	95.4	Very high	95	Very high	135 Å²	135	69.7 Å²	69.7	71%	0.707	37%	0.374	S	S	*	.	H	α-helix	trans	-70.6	-51	179.6	-70.1	173.9	0	0	0	110.4	D249 V253 A254 E255	D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 WeakPolarHBondContact OD1-CB 3.3Å; D249-L251 PolarHBondContact OD1-N 3.06Å; L251-V253 VanDerWaalsContact C-N 3.27Å; L251-V253 PolarHBondContact O-N 2.68Å; L251-A254 PolarHBondContact O-N 2.64Å; L251-A254 VanDerWaalsContact O-N 3.12Å; L251-E255 WeakPolarHBondContact O-CG 3.49Å; L251-E255 PolarHBondContact O-N 2.95Å
252	T	96	Very high	95.7	Very high	49 Å²	49	74 Å²	74	30%	0.301	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-41	174.8	-57	0	0	0	0	110.4	V247 D249 A254 E255 L256	V247-T252 HydrophobicContact CG1-CG2 3.57Å; D249-T252 PolarHBondContact O-N 3.21Å; D249-T252 WeakPolarHBondContact OD1-CB 3.45Å; D249-T252 PolarHBondContact OD1-N 3.11Å; D249-T252 PolarHBondContact OD1-OG1 3.15Å; D249-T252 VanDerWaalsContact OD2-CB 3.24Å; D249-T252 WeakPolarHBondContact OD2-CB 3.33Å; D249-T252 PolarHBondContact OD2-OG1 3.38Å; T252-A254 PolarHBondContact O-N 2.77Å; T252-E255 PolarHBondContact O-N 3.27Å; T252-L256 HydrophobicContact CG2-CD1 3.95Å; T252-L256 HydrophobicContact CG2-CG 4.24Å; T252-L256 WeakPolarHBondContact O-CB 3.26Å; T252-L256 WeakPolarHBondContact O-CG 3.3Å; T252-L256 PolarHBondContact O-N 2.69Å
253	V	97.2	Very high	96	Very high	22 Å²	22	74.9 Å²	74.9	13%	0.133	39%	0.394	C	S	.	.	H	α-helix	trans	-56.5	-49.2	173.2	167.1	0	0	0	0	111.5	V247 D249 L251 E255 L256 L257 V414	V247-V253 HydrophobicContact CB-CG2 3.77Å; V247-V253 HydrophobicContact CG1-CG2 3.74Å; D249-V253 WeakPolarHBondContact O-CG2 2.97Å; D249-V253 PolarHBondContact O-N 3.43Å; D249-V253 VanDerWaalsContact O-N 3.15Å; L251-V253 VanDerWaalsContact C-N 3.27Å; L251-V253 PolarHBondContact O-N 2.68Å; V253-E255 PolarHBondContact O-N 2.76Å; V253-L256 PolarHBondContact O-N 2.97Å; V253-L257 HydrophobicContact CG1-CD1 3.85Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 WeakPolarHBondContact O-CB 3.37Å; V253-L257 VanDerWaalsContact O-CG 3.31Å; V253-L257 WeakPolarHBondContact O-CG 3.33Å; V253-L257 PolarHBondContact O-N 3.38Å; V253-V414 HydrophobicContact CG1-CB 4.25Å; V253-V414 WeakPolarHBondContact CG1-O 3.38Å
254	A	96.8	Very high	96.1	Very high	55 Å²	55	75.3 Å²	75.3	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-39	180	0	0	0	0	0	112.7	D250 L251 T252 K258	D250-A254 WeakPolarHBondContact O-CB 3.41Å; D250-A254 PolarHBondContact O-N 3.46Å; L251-A254 PolarHBondContact O-N 2.64Å; L251-A254 VanDerWaalsContact O-N 3.12Å; T252-A254 PolarHBondContact O-N 2.77Å; A254-K258 WeakPolarHBondContact O-CB 3.43Å; A254-K258 PolarHBondContact O-N 2.79Å
255	E	97	Very high	96.1	Very high	134 Å²	134	75.1 Å²	75.1	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-63.5	-47.8	175.5	-72.2	179.7	170.2	0	0	111.8	L251 T252 V253 L257 K258 E259	L251-E255 WeakPolarHBondContact O-CG 3.49Å; L251-E255 PolarHBondContact O-N 2.95Å; T252-E255 PolarHBondContact O-N 3.27Å; V253-E255 PolarHBondContact O-N 2.76Å; E255-L257 PolarHBondContact O-N 3.44Å; E255-K258 PolarHBondContact O-N 3.19Å; E255-E259 WeakPolarHBondContact O-CB 3.39Å; E255-E259 PolarHBondContact O-N 2.83Å
256	L	97.2	Very high	96.2	Very high	15 Å²	15	74.7 Å²	74.7	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.1	-68.3	174.2	0	0	0	112	V247 T252 V253 E259 S260 I367 A412 V414	V247-L256 HydrophobicContact CG1-CD1 4.45Å; V247-L256 HydrophobicContact CG2-CD1 3.68Å; T252-L256 HydrophobicContact CG2-CD1 3.95Å; T252-L256 HydrophobicContact CG2-CG 4.24Å; T252-L256 WeakPolarHBondContact O-CB 3.26Å; T252-L256 WeakPolarHBondContact O-CG 3.3Å; T252-L256 PolarHBondContact O-N 2.69Å; V253-L256 PolarHBondContact O-N 2.97Å; L256-E259 PolarHBondContact O-N 3.12Å; L256-S260 WeakPolarHBondContact O-CB 3.4Å; L256-S260 PolarHBondContact O-N 3.19Å; L256-I367 HydrophobicContact CB-CG1 4.08Å; L256-I367 HydrophobicContact CD2-CG1 4.16Å; L256-A412 HydrophobicContact CD1-CB 4.37Å; L256-V414 HydrophobicContact CB-CG1 3.82Å; L256-V414 HydrophobicContact CD1-CG1 3.74Å; L256-V414 HydrophobicContact CG-CG1 4.45Å
257	L	97.2	Very high	96.2	Very high	65 Å²	65	76.9 Å²	76.9	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-39.8	176.1	-75.5	172.7	0	0	0	111.8	V253 E255 S260 V364 V414	V253-L257 HydrophobicContact CG1-CD1 3.85Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 WeakPolarHBondContact O-CB 3.37Å; V253-L257 VanDerWaalsContact O-CG 3.31Å; V253-L257 WeakPolarHBondContact O-CG 3.33Å; V253-L257 PolarHBondContact O-N 3.38Å; E255-L257 PolarHBondContact O-N 3.44Å; L257-S260 PolarHBondContact O-N 2.69Å; L257-S260 PolarHBondContact O-OG 2.9Å; L257-V364 HydrophobicContact CD2-CB 4.18Å; L257-V364 HydrophobicContact CD2-CG1 4.38Å; L257-V414 HydrophobicContact CD2-CG2 3.88Å; L257-V414 HydrophobicContact CG-CG2 4.4Å
258	K	97	Very high	96.2	Very high	153 Å²	153	75.7 Å²	75.7	67%	0.665	41%	0.407	S	S	*	.	H	α-helix	trans	-65.7	-44.9	174.5	-174.1	-175.5	-177.4	-174.2	0	111.5	A254 E255 S260 Q261	A254-K258 WeakPolarHBondContact O-CB 3.43Å; A254-K258 PolarHBondContact O-N 2.79Å; E255-K258 PolarHBondContact O-N 3.19Å; K258-S260 VanDerWaalsContact C-N 3.3Å; K258-S260 PolarHBondContact O-N 2.84Å; K258-Q261 WeakPolarHBondContact O-CB 3.4Å; K258-Q261 PolarHBondContact O-N 3.42Å
259	E	95.9	Very high	96.6	Very high	67 Å²	67	73.6 Å²	73.6	31%	0.313	39%	0.389	S	S	.	.	H	α-helix	trans	-57.9	-44.6	176.1	-170.6	-168.1	168.2	0	0	110.9	E255 L256 Q261 N262 L263 R355	E255-E259 WeakPolarHBondContact O-CB 3.39Å; E255-E259 PolarHBondContact O-N 2.83Å; L256-E259 PolarHBondContact O-N 3.12Å; E259-Q261 PolarHBondContact O-N 3.01Å; E259-N262 PolarHBondContact O-N 3.36Å; E259-L263 HydrophobicContact CG-CD1 4.2Å; E259-L263 HydrophobicContact CG-CD2 4.35Å; E259-L263 HydrophobicContact CG-CG 4.23Å; E259-R355 VanDerWaalsContact OE1-CD 3.31Å; E259-R355 WeakPolarHBondContact OE1-CD 3.47Å; E259-R355 IonicContact OE1-CZ 3.77Å; E259-R355 IonicContact OE1-NE 3.19Å; E259-R355 PolarHBondContact OE1-NE 3.09Å; E259-R355 IonicContact OE1-NH2 3.08Å; E259-R355 IonicContact OE2-CZ 3.64Å; E259-R355 IonicContact OE2-NE 2.87Å; E259-R355 PolarHBondContact OE2-NE 3.43Å; E259-R355 IonicContact OE2-NH2 3.43Å; E259-R355 PolarHBondContact OE2-NH2 3.44Å
260	S	96.3	Very high	96.8	Very high	7 Å²	7	76.2 Å²	76.2	5%	0.049	40%	0.398	C	S	.	.	H	α-helix	trans	-56.2	-22	-176.6	80.7	0	0	0	0	115	L256 L257 K258 N262 L263	L256-S260 WeakPolarHBondContact O-CB 3.4Å; L256-S260 PolarHBondContact O-N 3.19Å; L257-S260 PolarHBondContact O-N 2.69Å; L257-S260 PolarHBondContact O-OG 2.9Å; K258-S260 VanDerWaalsContact C-N 3.3Å; K258-S260 PolarHBondContact O-N 2.84Å; S260-N262 PolarHBondContact O-N 3.32Å; S260-L263 PolarHBondContact O-N 3.28Å
261	Q	95.8	Very high	97	Very high	153 Å²	153	70.6 Å²	70.6	72%	0.715	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.8	177.1	-63.1	178.8	-0.6	0	0	112.7	K258 E259	K258-Q261 WeakPolarHBondContact O-CB 3.4Å; K258-Q261 PolarHBondContact O-N 3.42Å; E259-Q261 PolarHBondContact O-N 3.01Å
262	N	95.5	Very high	97.2	Very high	144 Å²	144	65 Å²	65	77%	0.77	34%	0.339	S	S	*	.	S	Bend	trans	-110.1	-1.9	-179.2	-57.3	-56.9	0	0	0	113.1	E259 S260	E259-N262 PolarHBondContact O-N 3.36Å; S260-N262 PolarHBondContact O-N 3.32Å
263	L	96.9	Very high	97.3	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	33%	0.325	C	S	.	.	S	Bend	trans	-84.4	147.3	178.4	-65.1	-178.4	0	0	0	111	E259 S260 R355 A357 I367	E259-L263 HydrophobicContact CG-CD1 4.2Å; E259-L263 HydrophobicContact CG-CD2 4.35Å; E259-L263 HydrophobicContact CG-CG 4.23Å; S260-L263 PolarHBondContact O-N 3.28Å; L263-R355 HydrophobicContact CD1-CB 4.03Å; L263-R355 HydrophobicContact CD2-CB 4.09Å; L263-A357 HydrophobicContact CB-CB 4.28Å; L263-I367 HydrophobicContact CD1-CD1 4.12Å; L263-I367 HydrophobicContact CD1-CG2 4.13Å
264	P	97.3	Very high	97.3	Very high	49 Å²	49	62 Å²	62	32%	0.318	32%	0.321	S	S	.	.			trans	-54.2	145.7	161.3	-25.5	36.9	0	0	0	111	L350 V353 A357	P264-L350 HydrophobicContact CB-CD2 3.69Å; P264-V353 HydrophobicContact CB-CG1 4.43Å; P264-V353 HydrophobicContact CG-CG1 3.9Å; P264-V353 HydrophobicContact CG-CG2 3.78Å; P264-A357 PolarHBondContact O-N 3.09Å
265	T	97.5	Very high	97.4	Very high	66 Å²	66	60.3 Å²	60.3	41%	0.405	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.2	-173	60	0	0	0	0	111.8	A357 K359	T265-A357 CarbonylContact C-O 3.35Å; T265-A357 VanDerWaalsContact CA-O 3.23Å; T265-A357 WeakPolarHBondContact CA-O 3.46Å; T265-A357 HydrophobicContact CG2-CB 4.13Å; T265-K359 HydrophobicContact CG2-CD 3.81Å; T265-K359 VanDerWaalsContact CG2-CE 3.48Å; T265-K359 HydrophobicContact CG2-CG 4.46Å
266	V	98.4	Very high	97.5	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122	165.8	174.2	0	0	0	0	108	L340 I342 V346 L350 I356 A357 L358 K359 L407	V266-L340 HydrophobicContact CG1-CD2 4.32Å; V266-I342 HydrophobicContact CG1-CG2 4.14Å; V266-V346 HydrophobicContact CG2-CG1 3.84Å; V266-L350 HydrophobicContact CG2-CD1 3.9Å; V266-I356 HydrophobicContact CB-CG2 4.29Å; V266-I356 HydrophobicContact CG2-CG2 3.7Å; V266-A357 PolarHBondContact N-O 2.97Å; V266-L358 HydrophobicContact CB-CD2 3.94Å; V266-L358 HydrophobicContact CG1-CD2 4.48Å; V266-K359 PolarHBondContact O-N 3.08Å; V266-L407 HydrophobicContact CG2-CD2 4.05Å
267	E	98.1	Very high	97.6	Very high	102 Å²	102	53.2 Å²	53.2	48%	0.477	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.8	173.6	-168	69.4	-164.2	0	0	108.9	K359 Y360 N361 G362	E267-K359 CarbonylContact C-O 3.09Å; E267-K359 VanDerWaalsContact OE2-CB 3.27Å; E267-K359 WeakPolarHBondContact OE2-CB 3.3Å; E267-Y360 WeakPolarHBondContact OE1-CA 3.24Å; E267-N361 PolarHBondContact OE1-N 2.99Å; E267-G362 PolarHBondContact OE1-N 2.98Å
268	L	98.5	Very high	97.7	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-78.6	143.6	177.9	-59.8	-177.6	0	0	0	109.9	D272 L273 L276 L340 L358 K359 Y360	L268-D272 HydrophobicContact CB-CB 3.97Å; L268-D272 HydrophobicContact CD2-CB 3.99Å; L268-D272 HydrophobicContact CG-CB 4.47Å; L268-L273 HydrophobicContact CD1-CD1 4.42Å; L268-L276 HydrophobicContact CD1-CD2 3.8Å; L268-L340 HydrophobicContact CD2-CD1 3.68Å; L268-L340 HydrophobicContact CD2-CD2 4.04Å; L268-L358 HydrophobicContact CD1-CB 4.09Å; L268-L358 HydrophobicContact CD2-CB 4.32Å; L268-L358 HydrophobicContact CD2-CD2 4.45Å; L268-L358 HydrophobicContact CG-CB 4.27Å; L268-K359 VanDerWaalsContact CB-O 3.31Å; L268-K359 WeakPolarHBondContact CB-O 3.49Å; L268-K359 WeakPolarHBondContact CG-O 3.08Å; L268-K359 PolarHBondContact N-O 2.87Å; L268-Y360 WeakPolarHBondContact O-CD2 3.31Å
269	T	97.8	Very high	97.8	Very high	78 Å²	78	42.9 Å²	42.9	48%	0.479	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-75.2	170.8	160.7	72.3	0	0	0	0	110.4	V271 D272 L273	T269-V271 PolarHBondContact O-N 2.94Å; T269-V271 PolarHBondContact OG1-N 3.28Å; T269-D272 VanDerWaalsContact CB-OD2 3.24Å; T269-D272 WeakPolarHBondContact CB-OD2 3.37Å; T269-D272 VanDerWaalsContact CG2-OD2 3.31Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.44Å; T269-D272 PolarHBondContact N-OD2 3.41Å; T269-D272 PolarHBondContact O-N 3.36Å; T269-D272 PolarHBondContact OG1-N 3.08Å; T269-D272 PolarHBondContact OG1-OD2 2.98Å; T269-L273 PolarHBondContact O-N 3.39Å
270	K	97.2	Very high	97.9	Very high	117 Å²	117	39.7 Å²	39.7	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-35.4	173	-174.8	175.9	179.9	177.9	0	112.3	L273 Q274 Y360	K270-L273 PolarHBondContact O-N 3.43Å; K270-Q274 VanDerWaalsContact O-CG 3.3Å; K270-Q274 WeakPolarHBondContact O-CG 3.43Å; K270-Q274 PolarHBondContact O-N 2.96Å; K270-Q274 VanDerWaalsContact O-N 3.12Å; K270-Y360 HydrophobicContact CB-CE2 4.14Å
271	V	98.1	Very high	98	Very high	27 Å²	27	39.4 Å²	39.4	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-70.4	-39.6	177.8	176.4	0	0	0	0	110.4	T269 L273 Q274 W275 W486 P523	T269-V271 PolarHBondContact O-N 2.94Å; T269-V271 PolarHBondContact OG1-N 3.28Å; V271-L273 VanDerWaalsContact C-N 3.33Å; V271-L273 PolarHBondContact O-N 2.89Å; V271-Q274 WeakPolarHBondContact O-CB 3.36Å; V271-Q274 PolarHBondContact O-N 3.02Å; V271-W275 PolarHBondContact O-N 3.43Å; V271-W486 HydrophobicContact CG2-CB 3.85Å; V271-W486 HydrophobicContact CG2-CG 4.13Å; V271-P523 HydrophobicContact CG1-CB 4.42Å; V271-P523 HydrophobicContact CG1-CG 4.01Å
272	D	98.6	Very high	98.1	Very high	17 Å²	17	32.2 Å²	32.2	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-38.9	175.5	-55	-46.6	0	0	0	111.5	L268 T269 Q274 W275 L276 L340	L268-D272 HydrophobicContact CB-CB 3.97Å; L268-D272 HydrophobicContact CD2-CB 3.99Å; L268-D272 HydrophobicContact CG-CB 4.47Å; T269-D272 VanDerWaalsContact CB-OD2 3.24Å; T269-D272 WeakPolarHBondContact CB-OD2 3.37Å; T269-D272 VanDerWaalsContact CG2-OD2 3.31Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.44Å; T269-D272 PolarHBondContact N-OD2 3.41Å; T269-D272 PolarHBondContact O-N 3.36Å; T269-D272 PolarHBondContact OG1-N 3.08Å; T269-D272 PolarHBondContact OG1-OD2 2.98Å; D272-Q274 VanDerWaalsContact C-N 3.3Å; D272-Q274 PolarHBondContact O-N 2.95Å; D272-W275 PolarHBondContact O-N 3.22Å; D272-L276 WeakPolarHBondContact O-CB 3.47Å; D272-L276 PolarHBondContact O-N 3.14Å; D272-L340 HydrophobicContact CB-CD1 3.88Å
273	L	98.6	Very high	98.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-36.6	173.6	-176	66.8	0	0	0	112.2	L268 T269 K270 V271 L276 Q277 Y360 Y365 I417 F419	L268-L273 HydrophobicContact CD1-CD1 4.42Å; T269-L273 PolarHBondContact O-N 3.39Å; K270-L273 PolarHBondContact O-N 3.43Å; V271-L273 VanDerWaalsContact C-N 3.33Å; V271-L273 PolarHBondContact O-N 2.89Å; L273-L276 HydrophobicContact CD1-CD2 4.25Å; L273-L276 WeakPolarHBondContact O-CB 3.27Å; L273-L276 PolarHBondContact O-N 3.26Å; L273-Q277 PolarHBondContact O-N 3.27Å; L273-Y360 HydrophobicContact CB-CD2 4.4Å; L273-Y360 HydrophobicContact CB-CG 4.5Å; L273-Y360 HydrophobicContact CD2-CD1 3.49Å; L273-Y360 VanDerWaalsContact CD2-CD1 3.49Å; L273-Y360 HydrophobicContact CD2-CD2 4.23Å; L273-Y360 HydrophobicContact CD2-CE1 3.76Å; L273-Y360 HydrophobicContact CD2-CE2 4.49Å; L273-Y360 HydrophobicContact CD2-CG 3.73Å; L273-Y365 HydrophobicContact CD1-CD1 4.09Å; L273-Y365 HydrophobicContact CD1-CD2 4.23Å; L273-Y365 HydrophobicContact CD1-CE1 4.38Å; L273-Y365 HydrophobicContact CD1-CG 3.99Å; L273-I417 HydrophobicContact CD1-CD1 4.25Å; L273-I417 HydrophobicContact CD1-CG1 4.15Å; L273-I417 HydrophobicContact CD1-CG2 4.05Å; L273-I417 HydrophobicContact CD2-CG2 4.26Å; L273-I417 HydrophobicContact CG-CG2 3.96Å; L273-F419 HydrophobicContact CD2-CE1 3.92Å; L273-F419 HydrophobicContact CG-CE1 4.41Å
274	Q	98.6	Very high	98.2	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-39.6	174.6	-70.9	165.5	-10.8	0	0	111.8	K270 V271 D272 Q277 V278 F419 G485 P523	K270-Q274 VanDerWaalsContact O-CG 3.3Å; K270-Q274 WeakPolarHBondContact O-CG 3.43Å; K270-Q274 PolarHBondContact O-N 2.96Å; K270-Q274 VanDerWaalsContact O-N 3.12Å; V271-Q274 WeakPolarHBondContact O-CB 3.36Å; V271-Q274 PolarHBondContact O-N 3.02Å; D272-Q274 VanDerWaalsContact C-N 3.3Å; D272-Q274 PolarHBondContact O-N 2.95Å; Q274-Q277 WeakPolarHBondContact O-CB 3.28Å; Q274-Q277 PolarHBondContact O-N 2.92Å; Q274-V278 WeakPolarHBondContact O-CG2 3.36Å; Q274-V278 PolarHBondContact O-N 2.67Å; Q274-F419 HydrophobicContact CG-CE1 4.23Å; Q274-F419 HydrophobicContact CG-CZ 3.84Å; Q274-G485 VanDerWaalsContact CD-CA 3.49Å; Q274-P523 HydrophobicContact CB-CG 3.94Å
275	W	98.7	Very high	98	Very high	18 Å²	18	22.5 Å²	22.5	7%	0.068	12%	0.117	C	C	.	.	H	α-helix	trans	-67.5	-37.2	171.9	-75.7	122	0	0	0	112.6	V271 D272 Q277 V278 L279 F290 I336 I338 P523 M525 W534	V271-W275 PolarHBondContact O-N 3.43Å; D272-W275 PolarHBondContact O-N 3.22Å; W275-Q277 VanDerWaalsContact C-N 3.27Å; W275-Q277 PolarHBondContact O-N 3.46Å; W275-V278 HydrophobicContact CE3-CB 4.11Å; W275-V278 HydrophobicContact CE3-CG1 4.06Å; W275-V278 HydrophobicContact CE3-CG2 4.12Å; W275-V278 HydrophobicContact CZ3-CG1 4.19Å; W275-V278 HydrophobicContact CZ3-CG2 4.37Å; W275-V278 WeakPolarHBondContact O-CB 3.28Å; W275-V278 PolarHBondContact O-N 3.37Å; W275-L279 WeakPolarHBondContact O-CG 3.29Å; W275-L279 PolarHBondContact O-N 3.5Å; W275-F290 HydrophobicContact CB-CE1 4.05Å; W275-I336 HydrophobicContact CH2-CG2 3.99Å; W275-I336 HydrophobicContact CZ2-CG2 4.45Å; W275-I338 HydrophobicContact CB-CG2 4.14Å; W275-I338 HydrophobicContact CD2-CG2 4.19Å; W275-I338 HydrophobicContact CE3-CB 4.41Å; W275-I338 HydrophobicContact CE3-CD1 4.11Å; W275-I338 HydrophobicContact CE3-CG1 3.9Å; W275-I338 HydrophobicContact CE3-CG2 3.8Å; W275-I338 HydrophobicContact CG-CG2 4.36Å; W275-I338 HydrophobicContact CZ3-CD1 4.01Å; W275-I338 HydrophobicContact CZ3-CG1 3.84Å; W275-P523 HydrophobicContact CD2-CG 4.22Å; W275-P523 HydrophobicContact CG-CG 4.45Å; W275-P523 HydrophobicContact CZ2-CB 4.32Å; W275-P523 HydrophobicContact CZ2-CG 4.05Å; W275-M525 HydrophobicContact CH2-CE 3.93Å; W275-M525 HydrophobicContact CH2-SD 4.11Å; W275-M525 HydrophobicContact CZ2-CE 4.09Å; W275-M525 HydrophobicContact CZ2-CG 4.43Å; W275-M525 HydrophobicContact CZ2-SD 3.72Å; W275-W534 AromaticContact CH2-NE1 3.94Å; W275-W534 AromaticContact CZ3-CZ2 3.89Å; W275-W534 HydrophobicContact CZ3-CZ2 3.89Å
276	L	98.8	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-39.8	171.7	-177.1	64.3	0	0	0	110.7	L268 D272 L273 L279 A280 F290 A366 V411 V413 I417	L268-L276 HydrophobicContact CD1-CD2 3.8Å; D272-L276 WeakPolarHBondContact O-CB 3.47Å; D272-L276 PolarHBondContact O-N 3.14Å; L273-L276 HydrophobicContact CD1-CD2 4.25Å; L273-L276 WeakPolarHBondContact O-CB 3.27Å; L273-L276 PolarHBondContact O-N 3.26Å; L276-L279 PolarHBondContact O-N 3.08Å; L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.15Å; L276-F290 HydrophobicContact CB-CZ 4.2Å; L276-F290 HydrophobicContact CD1-CE2 4.16Å; L276-F290 HydrophobicContact CD1-CZ 4.48Å; L276-A366 HydrophobicContact CD1-CB 4.26Å; L276-A366 HydrophobicContact CD2-CB 4.12Å; L276-V411 HydrophobicContact CD1-CG1 3.65Å; L276-V413 HydrophobicContact CD1-CG2 4.06Å; L276-I417 HydrophobicContact CB-CD1 4.24Å; L276-I417 HydrophobicContact CD2-CD1 4.15Å; L276-I417 HydrophobicContact CG-CD1 3.89Å
277	Q	98.7	Very high	97.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-44.2	174.4	-173.1	-177.6	15.3	0	0	112.5	L273 Q274 W275 L279 A280 E281 I417 F419 P521	L273-Q277 PolarHBondContact O-N 3.27Å; Q274-Q277 WeakPolarHBondContact O-CB 3.28Å; Q274-Q277 PolarHBondContact O-N 2.92Å; W275-Q277 VanDerWaalsContact C-N 3.27Å; W275-Q277 PolarHBondContact O-N 3.46Å; Q277-L279 VanDerWaalsContact C-N 3.26Å; Q277-L279 PolarHBondContact O-N 2.81Å; Q277-A280 PolarHBondContact O-N 3.3Å; Q277-E281 VanDerWaalsContact CG-CD 3.47Å; Q277-E281 HydrophobicContact CG-CG 4.1Å; Q277-E281 VanDerWaalsContact CG-OE1 3.22Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.32Å; Q277-E281 PolarHBondContact NE2-OE1 3.44Å; Q277-E281 WeakPolarHBondContact O-CB 3.38Å; Q277-E281 WeakPolarHBondContact O-CG 3.39Å; Q277-E281 PolarHBondContact O-N 2.51Å; Q277-I417 VanDerWaalsContact CA-CD1 3.46Å; Q277-I417 HydrophobicContact CB-CB 4.29Å; Q277-I417 HydrophobicContact CB-CD1 3.76Å; Q277-I417 HydrophobicContact CB-CG2 4.17Å; Q277-I417 HydrophobicContact CG-CB 4.28Å; Q277-I417 HydrophobicContact CG-CD1 4.4Å; Q277-I417 HydrophobicContact CG-CG2 4.4Å; Q277-F419 VanDerWaalsContact OE1-CE2 3.23Å; Q277-P521 HydrophobicContact CB-CB 4.32Å; Q277-P521 HydrophobicContact CG-CB 3.88Å; Q277-P521 HydrophobicContact CG-CG 4.23Å
278	V	98.8	Very high	97.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-54.5	-44.6	174.1	164	0	0	0	0	111.2	Q274 W275 W283 A284 I338 P521 W534	Q274-V278 WeakPolarHBondContact O-CG2 3.36Å; Q274-V278 PolarHBondContact O-N 2.67Å; W275-V278 HydrophobicContact CE3-CB 4.11Å; W275-V278 HydrophobicContact CE3-CG1 4.06Å; W275-V278 HydrophobicContact CE3-CG2 4.12Å; W275-V278 HydrophobicContact CZ3-CG1 4.19Å; W275-V278 HydrophobicContact CZ3-CG2 4.37Å; W275-V278 WeakPolarHBondContact O-CB 3.28Å; W275-V278 PolarHBondContact O-N 3.37Å; V278-W283 HydrophobicContact CG1-CB 3.98Å; V278-W283 WeakPolarHBondContact O-CB 3.33Å; V278-W283 PolarHBondContact O-N 3.46Å; V278-A284 HydrophobicContact CG1-CB 4.1Å; V278-I338 HydrophobicContact CG1-CD1 3.88Å; V278-P521 HydrophobicContact CG2-CB 4.39Å; V278-P521 HydrophobicContact CG2-CG 4Å; V278-W534 HydrophobicContact CG1-CH2 3.49Å; V278-W534 VanDerWaalsContact CG1-CH2 3.49Å; V278-W534 HydrophobicContact CG1-CZ2 3.46Å; V278-W534 VanDerWaalsContact CG1-CZ2 3.46Å; V278-W534 HydrophobicContact CG2-CZ2 4.49Å
279	L	98.7	Very high	97.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-68.3	-50.3	176.6	-69.1	167.1	0	0	0	111.5	L245 W275 L276 Q277 E281 G282 A284 L287 G289 F290 I338	L245-L279 HydrophobicContact CD1-CB 3.87Å; W275-L279 WeakPolarHBondContact O-CG 3.29Å; W275-L279 PolarHBondContact O-N 3.5Å; L276-L279 PolarHBondContact O-N 3.08Å; Q277-L279 VanDerWaalsContact C-N 3.26Å; Q277-L279 PolarHBondContact O-N 2.81Å; L279-E281 PolarHBondContact O-N 3.21Å; L279-G282 PolarHBondContact O-N 3.08Å; L279-A284 HydrophobicContact CD2-CB 4.07Å; L279-L287 HydrophobicContact CD2-CB 3.85Å; L279-L287 HydrophobicContact CD2-CD1 3.99Å; L279-G289 VanDerWaalsContact CD2-O 3.22Å; L279-G289 WeakPolarHBondContact CD2-O 3.38Å; L279-F290 HydrophobicContact CD1-CD1 3.75Å; L279-F290 HydrophobicContact CD1-CD2 4.25Å; L279-F290 HydrophobicContact CD1-CE1 3.87Å; L279-F290 HydrophobicContact CD1-CE2 4.34Å; L279-F290 HydrophobicContact CD1-CG 3.96Å; L279-F290 HydrophobicContact CD1-CZ 4.17Å; L279-I338 HydrophobicContact CD1-CG2 3.88Å; L279-I338 HydrophobicContact CD2-CG2 4.03Å; L279-I338 HydrophobicContact CG-CG2 3.89Å
280	A	98.6	Very high	97.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.3	-44.2	-174	0	0	0	0	0	113.2	E244 L245 F246 L276 Q277 G282 V413 I417	E244-A280 CarbonylContact C-O 3.52Å; E244-A280 VanDerWaalsContact CA-O 3.27Å; E244-A280 WeakPolarHBondContact CA-O 3.23Å; L245-A280 PolarHBondContact N-O 2.82Å; F246-A280 HydrophobicContact CD1-CB 4.4Å; F246-A280 WeakPolarHBondContact CD2-O 3.14Å; F246-A280 HydrophobicContact CE1-CB 3.73Å; F246-A280 HydrophobicContact CE2-CB 4.06Å; F246-A280 VanDerWaalsContact CE2-O 3.29Å; F246-A280 WeakPolarHBondContact CE2-O 3.3Å; F246-A280 HydrophobicContact CZ-CB 3.54Å; L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.15Å; Q277-A280 PolarHBondContact O-N 3.3Å; A280-G282 PolarHBondContact O-N 3.19Å; A280-V413 HydrophobicContact CB-CB 4.23Å; A280-V413 HydrophobicContact CB-CG1 4.22Å; A280-V413 HydrophobicContact CB-CG2 3.71Å; A280-I417 HydrophobicContact CB-CD1 4.34Å
281	E	98.3	Very high	97.6	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.9	179.7	-60.4	176.9	174.7	0	0	112.2	F246 Q277 L279 W283 T429 P430	F246-E281 HydrophobicContact CE2-CG 3.96Å; F246-E281 HydrophobicContact CZ-CG 3.94Å; Q277-E281 VanDerWaalsContact CG-CD 3.47Å; Q277-E281 HydrophobicContact CG-CG 4.1Å; Q277-E281 VanDerWaalsContact CG-OE1 3.22Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.32Å; Q277-E281 PolarHBondContact NE2-OE1 3.44Å; Q277-E281 WeakPolarHBondContact O-CB 3.38Å; Q277-E281 WeakPolarHBondContact O-CG 3.39Å; Q277-E281 PolarHBondContact O-N 2.51Å; L279-E281 PolarHBondContact O-N 3.21Å; E281-W283 PolarHBondContact O-N 3.34Å; E281-W283 PolarHBondContact OE2-NE1 3.25Å; E281-T429 HydrophobicContact CB-CG2 4.16Å; E281-T429 HydrophobicContact CG-CG2 3.84Å; E281-P430 WeakPolarHBondContact O-CD 3.29Å; E281-P430 WeakPolarHBondContact O-CG 3.27Å
282	G	97.3	Very high	97.5	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.01	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	17.9	175.9	0	0	0	0	0	115.4	V242 R243 L279 A280 A284 T285	V242-G282 WeakPolarHBondContact CG1-O 3.47Å; R243-G282 WeakPolarHBondContact O-CA 3.33Å; L279-G282 PolarHBondContact O-N 3.08Å; A280-G282 PolarHBondContact O-N 3.19Å; G282-A284 PolarHBondContact O-N 3.15Å; G282-T285 VanDerWaalsContact O-CB 3.29Å; G282-T285 WeakPolarHBondContact O-CB 3.36Å; G282-T285 WeakPolarHBondContact O-CG2 3.47Å; G282-T285 PolarHBondContact O-N 3.43Å
283	W	97.7	Very high	97.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.2	170.7	-66.8	104.2	0	0	0	112.7	V278 E281 K428 P430 L433 H481 F520 P521 S538 A542	V278-W283 HydrophobicContact CG1-CB 3.98Å; V278-W283 WeakPolarHBondContact O-CB 3.33Å; V278-W283 PolarHBondContact O-N 3.46Å; E281-W283 PolarHBondContact O-N 3.34Å; E281-W283 PolarHBondContact OE2-NE1 3.25Å; W283-K428 WeakPolarHBondContact CZ2-O 3.31Å; W283-P430 HydrophobicContact CD2-CG 3.61Å; W283-P430 HydrophobicContact CE3-CG 3.74Å; W283-P430 HydrophobicContact CG-CG 4.13Å; W283-P430 HydrophobicContact CH2-CG 4.09Å; W283-P430 HydrophobicContact CZ2-CG 3.98Å; W283-P430 HydrophobicContact CZ3-CG 3.98Å; W283-L433 HydrophobicContact CH2-CD1 3.58Å; W283-L433 HydrophobicContact CZ2-CD1 4.2Å; W283-H481 AromaticContact CH2-CE1 3.28Å; W283-H481 WeakPolarHBondContact CH2-CE1 3.15Å; W283-H481 AromaticContact CH2-NE2 3.62Å; W283-H481 AromaticContact CZ3-CE1 3.68Å; W283-F520 HydrophobicContact CB-CE2 4.32Å; W283-F520 AromaticContact CD2-CD2 3.99Å; W283-F520 HydrophobicContact CD2-CD2 3.99Å; W283-F520 AromaticContact CD2-CE2 3.77Å; W283-F520 HydrophobicContact CD2-CE2 3.77Å; W283-F520 AromaticContact CE3-CD2 3.97Å; W283-F520 HydrophobicContact CE3-CD2 3.97Å; W283-F520 AromaticContact CE3-CE2 3.72Å; W283-F520 HydrophobicContact CE3-CE2 3.72Å; W283-F520 HydrophobicContact CG-CE2 4.05Å; W283-F520 HydrophobicContact CH2-CD2 4.36Å; W283-F520 HydrophobicContact CZ2-CD2 4.37Å; W283-F520 HydrophobicContact CZ3-CD2 4.17Å; W283-F520 HydrophobicContact CZ3-CE2 4.32Å; W283-P521 HydrophobicContact CG-CG 4.39Å; W283-S538 VanDerWaalsContact CE3-O 3.27Å; W283-A542 HydrophobicContact CH2-CB 4.1Å; W283-A542 HydrophobicContact CZ3-CB 3.88Å
284	A	97.2	Very high	97	Very high	1 Å²	1	9 Å²	9	1%	0.008	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	17.2	176.5	0	0	0	0	0	114	V278 L279 G282 P286 L287 I338 W534 R537	V278-A284 HydrophobicContact CG1-CB 4.1Å; L279-A284 HydrophobicContact CD2-CB 4.07Å; G282-A284 PolarHBondContact O-N 3.15Å; A284-P286 VanDerWaalsContact O-N 3.13Å; A284-L287 HydrophobicContact CB-CD1 3.97Å; A284-L287 PolarHBondContact O-N 3Å; A284-L287 VanDerWaalsContact O-N 3.11Å; A284-I338 HydrophobicContact CB-CD1 3.43Å; A284-I338 VanDerWaalsContact CB-CD1 3.43Å; A284-W534 HydrophobicContact CB-CH2 3.9Å; A284-W534 HydrophobicContact CB-CZ3 4.17Å; A284-R537 PolarHBondContact O-NH2 3.45Å
285	T	94.7	Very high	96.8	Very high	21 Å²	21	9.3 Å²	9.3	13%	0.129	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46	121.2	177.9	-173.2	0	0	0	0	110.3	R243 G282 R537 A541	R243-T285 PolarHBondContact N-OG1 3.33Å; G282-T285 VanDerWaalsContact O-CB 3.29Å; G282-T285 WeakPolarHBondContact O-CB 3.36Å; G282-T285 WeakPolarHBondContact O-CG2 3.47Å; G282-T285 PolarHBondContact O-N 3.43Å; T285-R537 PolarHBondContact O-NH2 3.03Å; T285-A541 HydrophobicContact CG2-CB 4.13Å
286	P	92.9	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	cis	-109	13.1	29.8	42.5	-39.1	0	0	0	115.6	R243 A284 S288 L305 L308 W326 I332	R243-P286 WeakPolarHBondContact CD-O 3.36Å; R243-P286 PolarHBondContact NH1-O 3.12Å; A284-P286 VanDerWaalsContact O-N 3.13Å; P286-S288 PolarHBondContact O-N 2.88Å; P286-L305 HydrophobicContact CG-CD1 4.33Å; P286-L308 HydrophobicContact CB-CD1 3.91Å; P286-L308 HydrophobicContact CG-CD1 3.81Å; P286-L308 HydrophobicContact CG-CD2 3.78Å; P286-L308 HydrophobicContact CG-CG 4.28Å; P286-W326 HydrophobicContact CB-CG 3.87Å; P286-I332 VanDerWaalsContact CD-CD1 3.48Å; P286-I332 HydrophobicContact CG-CD1 3.71Å
287	L	96	Very high	96.5	Very high	2 Å²	2	11 Å²	11	1%	0.01	5%	0.053	C	C	.	.			trans	-55.6	132.3	-175.3	-66.4	177.7	0	0	0	112	L279 A284 G289 M291 L305 I338	L279-L287 HydrophobicContact CD2-CB 3.85Å; L279-L287 HydrophobicContact CD2-CD1 3.99Å; A284-L287 HydrophobicContact CB-CD1 3.97Å; A284-L287 PolarHBondContact O-N 3Å; A284-L287 VanDerWaalsContact O-N 3.11Å; L287-G289 VanDerWaalsContact C-N 3.29Å; L287-M291 HydrophobicContact CD1-CE 3.53Å; L287-M291 HydrophobicContact CD1-CG 4.03Å; L287-M291 HydrophobicContact CD2-CE 4.32Å; L287-M291 HydrophobicContact CD2-CG 4.13Å; L287-L305 HydrophobicContact CD2-CD1 3.82Å; L287-L305 HydrophobicContact CD2-CD2 4.49Å; L287-L305 HydrophobicContact CG-CD1 4.33Å; L287-I338 HydrophobicContact CD1-CB 4.39Å; L287-I338 HydrophobicContact CD1-CD1 4.2Å
288	S	95.6	Very high	96.4	Very high	7 Å²	7	11.4 Å²	11.4	5%	0.049	5%	0.054	C	C	.	.			trans	-81.9	-4.8	176.8	61.1	0	0	0	0	114	R243 L245 P286 D410 V411	R243-S288 VanDerWaalsContact CZ-CB 3.49Å; L245-S288 WeakPolarHBondContact CD1-O 3.34Å; P286-S288 PolarHBondContact O-N 2.88Å; S288-D410 VanDerWaalsContact CB-OD1 3.23Å; S288-D410 WeakPolarHBondContact CB-OD1 3.37Å; S288-D410 PolarHBondContact OG-OD1 3.25Å; S288-V411 PolarHBondContact O-N 3.34Å
289	G	97.8	Very high	96.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	164	-157.1	-174.3	0	0	0	0	0	111.4	L279 L287 G409	L279-G289 VanDerWaalsContact CD2-O 3.22Å; L279-G289 WeakPolarHBondContact CD2-O 3.38Å; L287-G289 VanDerWaalsContact C-N 3.29Å; G289-G409 WeakPolarHBondContact CA-O 3.28Å
290	F	98.5	Very high	96.2	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	6%	0.06	C	C	.	.	S	Bend	trans	-66.3	139.6	175.4	-67.5	-76.5	0	0	0	110.3	W275 L276 L279 R292 I338 L340 L358 L368 L407 G408 G409 V411	W275-F290 HydrophobicContact CB-CE1 4.05Å; L276-F290 HydrophobicContact CB-CZ 4.2Å; L276-F290 HydrophobicContact CD1-CE2 4.16Å; L276-F290 HydrophobicContact CD1-CZ 4.48Å; L279-F290 HydrophobicContact CD1-CD1 3.75Å; L279-F290 HydrophobicContact CD1-CD2 4.25Å; L279-F290 HydrophobicContact CD1-CE1 3.87Å; L279-F290 HydrophobicContact CD1-CE2 4.34Å; L279-F290 HydrophobicContact CD1-CG 3.96Å; L279-F290 HydrophobicContact CD1-CZ 4.17Å; F290-R292 PolarHBondContact O-N 3.34Å; F290-I338 HydrophobicContact CD1-CG2 4.34Å; F290-L340 HydrophobicContact CB-CB 4.18Å; F290-L340 HydrophobicContact CD1-CB 3.74Å; F290-L340 HydrophobicContact CD2-CB 3.88Å; F290-L340 HydrophobicContact CD2-CD2 3.99Å; F290-L340 HydrophobicContact CE1-CB 4.01Å; F290-L340 HydrophobicContact CE2-CB 4.16Å; F290-L340 HydrophobicContact CE2-CD2 3.92Å; F290-L340 HydrophobicContact CE2-CG 4.49Å; F290-L340 HydrophobicContact CG-CB 3.66Å; F290-L340 HydrophobicContact CZ-CB 4.21Å; F290-L340 HydrophobicContact CZ-CD1 4.44Å; F290-L340 HydrophobicContact CZ-CD2 4.47Å; F290-L358 HydrophobicContact CD2-CD1 4.44Å; F290-L358 HydrophobicContact CE2-CD1 3.91Å; F290-L368 HydrophobicContact CD2-CD1 4.43Å; F290-L407 WeakPolarHBondContact CB-O 3.18Å; F290-G408 VanDerWaalsContact O-CA 3.3Å; F290-G408 WeakPolarHBondContact O-CA 3.26Å; F290-G409 PolarHBondContact O-N 3.01Å; F290-G409 VanDerWaalsContact O-N 3.11Å; F290-V411 HydrophobicContact CD2-CG2 4.25Å
291	M	97.5	Very high	96.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-60.7	134.9	-171.1	-70.7	178.5	-177.9	0	0	112.4	L287 Q295 Q334 P337 I338 V339 G408	L287-M291 HydrophobicContact CD1-CE 3.53Å; L287-M291 HydrophobicContact CD1-CG 4.03Å; L287-M291 HydrophobicContact CD2-CE 4.32Å; L287-M291 HydrophobicContact CD2-CG 4.13Å; M291-Q295 HydrophobicContact CB-CB 3.99Å; M291-Q295 HydrophobicContact CG-CB 4Å; M291-Q295 HydrophobicContact SD-CB 4.49Å; M291-Q334 VanDerWaalsContact CE-CD 3.4Å; M291-Q334 HydrophobicContact CE-CG 3.36Å; M291-P337 HydrophobicContact SD-CB 4.21Å; M291-I338 HydrophobicContact CE-CB 4.37Å; M291-I338 HydrophobicContact CE-CG1 4.44Å; M291-I338 WeakPolarHBondContact CG-O 3.44Å; M291-I338 PolarHBondContact N-O 2.95Å; M291-I338 PolarHBondContact SD-N 3.05Å; M291-V339 HydrophobicContact CB-CG1 4.04Å; M291-G408 WeakPolarHBondContact O-CA 3.41Å
292	R	94.9	Very high	96	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.019	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-72.8	167.2	163.4	-71.6	-171.1	-167.7	-79.2	3.2	111.7	F290 R294 Q295 Y296 K311 D370 E372 D410	F290-R292 PolarHBondContact O-N 3.34Å; R292-R294 VanDerWaalsContact C-N 3.3Å; R292-R294 PolarHBondContact O-N 2.99Å; R292-Q295 PolarHBondContact O-N 3.22Å; R292-Q295 VanDerWaalsContact O-N 3.16Å; R292-Y296 VanDerWaalsContact O-CB 3.31Å; R292-Y296 WeakPolarHBondContact O-CB 3.37Å; R292-Y296 PolarHBondContact O-N 3.43Å; R292-K311 WeakPolarHBondContact CD-O 3.23Å; R292-D370 PolarHBondContact NH1-O 3.48Å; R292-D370 PolarHBondContact NH2-O 3.4Å; R292-D370 IonicContact NH2-OD2 2.79Å; R292-E372 WeakPolarHBondContact CA-OE2 3.29Å; R292-E372 WeakPolarHBondContact CB-OE2 3.21Å; R292-E372 HydrophobicContact CG-CB 4.5Å; R292-E372 VanDerWaalsContact CG-OE2 3.25Å; R292-E372 WeakPolarHBondContact CG-OE2 3.39Å; R292-D410 IonicContact NH2-OD2 3.48Å
293	E	94.5	Very high	95.9	Very high	66 Å²	66	22.6 Å²	22.6	31%	0.308	11%	0.11	S	C	.	.	H	α-helix	trans	-58.2	-44	-175.1	-172.7	168.9	-152.9	0	0	111.4	Q295 Y296 L297 F314 E372 F374	E293-Q295 PolarHBondContact O-N 3.37Å; E293-Y296 WeakPolarHBondContact O-CB 3.26Å; E293-Y296 PolarHBondContact O-N 2.93Å; E293-L297 HydrophobicContact CG-CD1 4.07Å; E293-L297 HydrophobicContact CG-CG 4.24Å; E293-L297 WeakPolarHBondContact O-CG 3.22Å; E293-L297 PolarHBondContact O-N 3.35Å; E293-F314 HydrophobicContact CG-CE2 4.42Å; E293-F314 HydrophobicContact CG-CZ 4.21Å; E293-E372 WeakPolarHBondContact CB-OE1 3.39Å; E293-E372 PolarHBondContact N-OE2 2.85Å; E293-F374 HydrophobicContact CB-CB 4.27Å; E293-F374 HydrophobicContact CB-CD1 3.85Å; E293-F374 HydrophobicContact CB-CD2 3.9Å; E293-F374 HydrophobicContact CB-CE1 4.11Å; E293-F374 HydrophobicContact CB-CE2 4.14Å; E293-F374 HydrophobicContact CB-CG 3.75Å; E293-F374 HydrophobicContact CB-CZ 4.24Å; E293-F374 HydrophobicContact CG-CB 4.46Å; E293-F374 HydrophobicContact CG-CD2 3.81Å; E293-F374 HydrophobicContact CG-CE2 4.16Å; E293-F374 HydrophobicContact CG-CG 4.07Å
294	R	92.9	Very high	95.8	Very high	54 Å²	54	23.9 Å²	23.9	20%	0.204	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-47.5	177.4	-169.3	-173.6	174.9	72.8	5.6	112.6	R292 Q298 D307 K309 F314	R292-R294 VanDerWaalsContact C-N 3.3Å; R292-R294 PolarHBondContact O-N 2.99Å; R294-Q298 VanDerWaalsContact O-CG 3.23Å; R294-Q298 WeakPolarHBondContact O-CG 3.34Å; R294-Q298 PolarHBondContact O-N 2.85Å; R294-Q298 VanDerWaalsContact O-N 3.08Å; R294-Q298 PolarHBondContact O-NE2 3.34Å; R294-D307 IonicContact CZ-OD1 3.3Å; R294-D307 IonicContact CZ-OD2 3.33Å; R294-D307 IonicContact NE-OD1 3.45Å; R294-D307 PolarHBondContact NE-OD1 3.35Å; R294-D307 IonicContact NE-OD2 2.64Å; R294-D307 IonicContact NH2-OD1 3.56Å; R294-D307 PolarHBondContact NH2-OD1 3.39Å; R294-D307 IonicContact NH2-OD2 3.1Å; R294-D307 PolarHBondContact NH2-OD2 3.18Å; R294-K309 WeakPolarHBondContact CD-O 3.43Å; R294-K309 PolarHBondContact NE-O 3.09Å; R294-F314 HydrophobicContact CB-CE1 4.42Å; R294-F314 HydrophobicContact CB-CZ 4.21Å; R294-F314 HydrophobicContact CG-CE1 4.35Å
295	Q	94.6	Very high	95.6	Very high	16 Å²	16	23.8 Å²	23.8	8%	0.075	12%	0.115	C	C	.	.	H	α-helix	trans	-68.1	-40	179.3	-66.8	163.8	-26.7	0	0	111.2	M291 R292 E293 Q298 S299 L305	M291-Q295 HydrophobicContact CB-CB 3.99Å; M291-Q295 HydrophobicContact CG-CB 4Å; M291-Q295 HydrophobicContact SD-CB 4.49Å; R292-Q295 PolarHBondContact O-N 3.22Å; R292-Q295 VanDerWaalsContact O-N 3.16Å; E293-Q295 PolarHBondContact O-N 3.37Å; Q295-Q298 PolarHBondContact O-N 2.77Å; Q295-S299 WeakPolarHBondContact O-CB 3.45Å; Q295-S299 PolarHBondContact O-N 3.26Å; Q295-L305 HydrophobicContact CB-CD2 4.14Å; Q295-L305 HydrophobicContact CG-CD2 4.38Å
296	Y	96.6	Very high	95.4	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-50	175.1	168.3	-105.6	0	0	0	111.2	R292 E293 Q298 S299 M300 P337 V339 F374 L406	R292-Y296 VanDerWaalsContact O-CB 3.31Å; R292-Y296 WeakPolarHBondContact O-CB 3.37Å; R292-Y296 PolarHBondContact O-N 3.43Å; E293-Y296 WeakPolarHBondContact O-CB 3.26Å; E293-Y296 PolarHBondContact O-N 2.93Å; Y296-Q298 PolarHBondContact O-N 2.86Å; Y296-S299 PolarHBondContact O-N 2.77Å; Y296-M300 HydrophobicContact CD1-CG 4.41Å; Y296-M300 HydrophobicContact CD2-CG 3.83Å; Y296-M300 HydrophobicContact CE1-CG 4.07Å; Y296-M300 HydrophobicContact CE2-CG 3.42Å; Y296-M300 VanDerWaalsContact CE2-CG 3.42Å; Y296-M300 HydrophobicContact CE2-SD 3.84Å; Y296-M300 HydrophobicContact CG-CG 4.31Å; Y296-M300 VanDerWaalsContact O-CB 3.32Å; Y296-M300 WeakPolarHBondContact O-CB 3.17Å; Y296-M300 WeakPolarHBondContact O-CG 3.42Å; Y296-M300 PolarHBondContact O-N 2.85Å; Y296-P337 HydrophobicContact CD2-CB 3.76Å; Y296-P337 HydrophobicContact CE2-CB 4.03Å; Y296-P337 HydrophobicContact CE2-CG 4.41Å; Y296-V339 HydrophobicContact CD2-CG1 3.82Å; Y296-F374 AromaticContact CD1-CE2 3.6Å; Y296-F374 HydrophobicContact CD1-CE2 3.6Å; Y296-F374 HydrophobicContact CD1-CZ 4.21Å; Y296-F374 HydrophobicContact CE1-CE2 4.18Å; Y296-F374 AromaticContact CG-CE2 3.92Å; Y296-F374 HydrophobicContact CG-CE2 3.92Å; Y296-F374 HydrophobicContact CG-CZ 4.07Å; Y296-L406 HydrophobicContact CD2-CD1 4.17Å; Y296-L406 HydrophobicContact CE2-CD1 4.06Å
297	L	95.7	Very high	94.9	Very high	46 Å²	46	27.5 Å²	27.5	24%	0.241	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-39.4	178.8	-68.7	179.3	0	0	0	112.1	E293 M300 H301 F314	E293-L297 HydrophobicContact CG-CD1 4.07Å; E293-L297 HydrophobicContact CG-CG 4.24Å; E293-L297 WeakPolarHBondContact O-CG 3.22Å; E293-L297 PolarHBondContact O-N 3.35Å; L297-M300 PolarHBondContact O-N 2.75Å; L297-H301 WeakPolarHBondContact O-CB 3.45Å; L297-H301 PolarHBondContact O-CD2 3.34Å; L297-H301 VanDerWaalsContact O-CD2 3.3Å; L297-H301 PolarHBondContact O-N 2.9Å; L297-F314 HydrophobicContact CD1-CE1 3.98Å; L297-F314 HydrophobicContact CD1-CZ 3.77Å
298	Q	95	Very high	94.2	Very high	9 Å²	9	28 Å²	28	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-47.9	175	-72.3	176.7	78.1	0	0	111.5	R294 Q295 Y296 F302 G303 Q304 D307	R294-Q298 VanDerWaalsContact O-CG 3.23Å; R294-Q298 WeakPolarHBondContact O-CG 3.34Å; R294-Q298 PolarHBondContact O-N 2.85Å; R294-Q298 VanDerWaalsContact O-N 3.08Å; R294-Q298 PolarHBondContact O-NE2 3.34Å; Q295-Q298 PolarHBondContact O-N 2.77Å; Y296-Q298 PolarHBondContact O-N 2.86Å; Q298-F302 HydrophobicContact CB-CD2 4.33Å; Q298-F302 HydrophobicContact CG-CD2 4.41Å; Q298-F302 WeakPolarHBondContact O-CA 3.35Å; Q298-F302 WeakPolarHBondContact O-CB 3.1Å; Q298-F302 PolarHBondContact O-N 3.37Å; Q298-G303 PolarHBondContact O-N 2.76Å; Q298-Q304 CarbonylContact C-O 3.55Å; Q298-Q304 VanDerWaalsContact CB-O 3.28Å; Q298-Q304 WeakPolarHBondContact CB-O 3.43Å; Q298-D307 PolarHBondContact NE2-O 2.84Å
299	S	97.1	Very high	92.9	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-47.7	175.2	-178.3	0	0	0	0	112	Q295 Y296 G303 Q304 Q334 I336	Q295-S299 WeakPolarHBondContact O-CB 3.45Å; Q295-S299 PolarHBondContact O-N 3.26Å; Y296-S299 PolarHBondContact O-N 2.77Å; S299-G303 VanDerWaalsContact O-CA 3.25Å; S299-G303 WeakPolarHBondContact O-CA 3.49Å; S299-G303 PolarHBondContact O-N 3.48Å; S299-Q304 PolarHBondContact N-O 3.31Å; S299-Q334 WeakPolarHBondContact CA-O 3.33Å; S299-Q334 WeakPolarHBondContact CB-O 3.33Å; S299-Q334 PolarHBondContact OG-O 3.3Å; S299-I336 VanDerWaalsContact OG-C 3.23Å; S299-I336 PolarHBondContact OG-O 3.17Å
300	M	96.9	Very high	91.1	Very high	20 Å²	20	36.5 Å²	36.5	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-67.8	-35.1	-177.6	-74.6	-60.7	-51.9	0	0	114.6	Y296 L297 P337 R381 R384	Y296-M300 HydrophobicContact CD1-CG 4.41Å; Y296-M300 HydrophobicContact CD2-CG 3.83Å; Y296-M300 HydrophobicContact CE1-CG 4.07Å; Y296-M300 HydrophobicContact CE2-CG 3.42Å; Y296-M300 VanDerWaalsContact CE2-CG 3.42Å; Y296-M300 HydrophobicContact CE2-SD 3.84Å; Y296-M300 HydrophobicContact CG-CG 4.31Å; Y296-M300 VanDerWaalsContact O-CB 3.32Å; Y296-M300 WeakPolarHBondContact O-CB 3.17Å; Y296-M300 WeakPolarHBondContact O-CG 3.42Å; Y296-M300 PolarHBondContact O-N 2.85Å; L297-M300 PolarHBondContact O-N 2.75Å; M300-P337 HydrophobicContact SD-CB 4.36Å; M300-P337 HydrophobicContact SD-CG 3.77Å; M300-R381 HydrophobicContact CE-CB 4.39Å; M300-R381 HydrophobicContact CE-CG 4.31Å; M300-R381 HydrophobicContact SD-CG 4.11Å; M300-R384 HydrophobicContact CE-CB 3.33Å; M300-R384 HydrophobicContact CE-CG 4.09Å
301	H	96.3	Very high	89.3	Confident	78 Å²	78	38.4 Å²	38.4	36%	0.361	18%	0.182	S	C	.	.	H	α-helix	trans	-102.6	-30.1	-173.1	-74.1	-98.4	0	0	0	114.2	L297 E380 R384	L297-H301 WeakPolarHBondContact O-CB 3.45Å; L297-H301 PolarHBondContact O-CD2 3.34Å; L297-H301 VanDerWaalsContact O-CD2 3.3Å; L297-H301 PolarHBondContact O-N 2.9Å; H301-E380 IonicContact CE1-OE1 3.58Å; H301-E380 IonicContact NE2-OE1 3.87Å; H301-R384 PolarHBondContact CE1-NH2 2.59Å
302	F	95.7	Very high	87.5	Confident	122 Å²	122	40.8 Å²	40.8	54%	0.535	20%	0.196	S	C	.	.	H	α-helix	trans	-115.5	-13.9	-175.9	-48.8	-56.4	0	0	0	112.4	Q298 Q304 L306	Q298-F302 HydrophobicContact CB-CD2 4.33Å; Q298-F302 HydrophobicContact CG-CD2 4.41Å; Q298-F302 WeakPolarHBondContact O-CA 3.35Å; Q298-F302 WeakPolarHBondContact O-CB 3.1Å; Q298-F302 PolarHBondContact O-N 3.37Å; F302-Q304 HydrophobicContact CB-CB 4.36Å; F302-Q304 PolarHBondContact O-N 3.18Å; F302-L306 HydrophobicContact CD2-CD1 3.78Å; F302-L306 HydrophobicContact CD2-CG 4.45Å; F302-L306 HydrophobicContact CE2-CD1 4.12Å; F302-L306 HydrophobicContact CG-CD1 4.3Å
303	G	96.6	Very high	86	Confident	16 Å²	16	40.7 Å²	40.7	17%	0.165	20%	0.197	C	C	.	.	S	Bend	trans	62.4	22.5	-172.3	0	0	0	0	0	112.3	Q298 S299 Q334 S335	Q298-G303 PolarHBondContact O-N 2.76Å; S299-G303 VanDerWaalsContact O-CA 3.25Å; S299-G303 WeakPolarHBondContact O-CA 3.49Å; S299-G303 PolarHBondContact O-N 3.48Å; G303-Q334 CarbonylContact C-O 3.5Å; G303-Q334 CarbonylContact O-C 3.47Å; G303-Q334 VanDerWaalsContact O-C 3.3Å; G303-Q334 PolarHBondContact O-N 3.47Å; G303-S335 PolarHBondContact O-N 3.38Å
304	Q	95.5	Very high	85.3	Confident	26 Å²	26	40.5 Å²	40.5	12%	0.121	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.5	-174.2	-67.2	178.2	-93.9	0	0	110.2	Q298 S299 F302 L306 I332 P579	Q298-Q304 CarbonylContact C-O 3.55Å; Q298-Q304 VanDerWaalsContact CB-O 3.28Å; Q298-Q304 WeakPolarHBondContact CB-O 3.43Å; S299-Q304 PolarHBondContact N-O 3.31Å; F302-Q304 HydrophobicContact CB-CB 4.36Å; F302-Q304 PolarHBondContact O-N 3.18Å; Q304-L306 HydrophobicContact CB-CD2 3.93Å; Q304-I332 CarbonylContact C-O 3.49Å; Q304-I332 WeakPolarHBondContact CA-O 3.27Å; Q304-I332 WeakPolarHBondContact CB-O 3.46Å; Q304-P579 HydrophobicContact CG-CB 4.17Å; Q304-P579 VanDerWaalsContact NE2-CB 3.3Å
305	L	93.4	Very high	84.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.8	151.6	-58.4	172.5	0	0	0	105.8	P286 L287 Q295 L308 M328 D331 I332 Q334	P286-L305 HydrophobicContact CG-CD1 4.33Å; L287-L305 HydrophobicContact CD2-CD1 3.82Å; L287-L305 HydrophobicContact CD2-CD2 4.49Å; L287-L305 HydrophobicContact CG-CD1 4.33Å; Q295-L305 HydrophobicContact CB-CD2 4.14Å; Q295-L305 HydrophobicContact CG-CD2 4.38Å; L305-L308 HydrophobicContact CD1-CD2 4.43Å; L305-M328 VanDerWaalsContact C-CE 3.43Å; L305-M328 HydrophobicContact CB-CE 4.19Å; L305-M328 WeakPolarHBondContact O-CE 3.37Å; L305-D331 CarbonylContact O-C 3.48Å; L305-D331 VanDerWaalsContact O-CA 3.31Å; L305-D331 WeakPolarHBondContact O-CA 3.43Å; L305-I332 HydrophobicContact CB-CB 4.42Å; L305-I332 PolarHBondContact N-O 3.12Å; L305-I332 PolarHBondContact O-N 3.35Å; L305-Q334 HydrophobicContact CD1-CB 4.4Å; L305-Q334 HydrophobicContact CD1-CG 4.36Å; L305-Q334 HydrophobicContact CD2-CB 4.41Å; L305-Q334 HydrophobicContact CD2-CG 4.23Å; L305-Q334 HydrophobicContact CG-CB 3.82Å; L305-Q334 HydrophobicContact CG-CG 4.03Å
306	L	89.4	Confident	83.2	Confident	65 Å²	65	48.4 Å²	48.4	34%	0.34	27%	0.267	S	S	.	.			trans	-101.9	-29.5	177.4	-51.5	179.4	0	0	0	111.1	F302 Q304 M328 D331	F302-L306 HydrophobicContact CD2-CD1 3.78Å; F302-L306 HydrophobicContact CD2-CG 4.45Å; F302-L306 HydrophobicContact CE2-CD1 4.12Å; F302-L306 HydrophobicContact CG-CD1 4.3Å; Q304-L306 HydrophobicContact CB-CD2 3.93Å; L306-M328 WeakPolarHBondContact O-CE 3.24Å; L306-D331 HydrophobicContact CD2-CB 4.04Å; L306-D331 VanDerWaalsContact CD2-CG 3.5Å
307	D	83.5	Confident	82.4	Confident	35 Å²	35	53.3 Å²	53.3	19%	0.187	29%	0.29	C	S	.	.			trans	-152.7	162.9	170.3	62.1	73.3	0	0	0	111.5	R294 Q298 K309	R294-D307 IonicContact CZ-OD1 3.3Å; R294-D307 IonicContact CZ-OD2 3.33Å; R294-D307 IonicContact NE-OD1 3.45Å; R294-D307 PolarHBondContact NE-OD1 3.35Å; R294-D307 IonicContact NE-OD2 2.64Å; R294-D307 IonicContact NH2-OD1 3.56Å; R294-D307 PolarHBondContact NH2-OD1 3.39Å; R294-D307 IonicContact NH2-OD2 3.1Å; R294-D307 PolarHBondContact NH2-OD2 3.18Å; Q298-D307 PolarHBondContact NE2-O 2.84Å; D307-K309 HydrophobicContact CB-CB 4.17Å; D307-K309 HydrophobicContact CB-CG 4.24Å; D307-K309 PolarHBondContact OD1-N 3.35Å; D307-K309 VanDerWaalsContact OD1-N 3.12Å
308	L	81	Confident	81.1	Confident	13 Å²	13	61 Å²	61	7%	0.068	32%	0.321	C	S	.	.			trans	-103.6	8	164	-52.1	177.1	0	0	0	111.8	P286 L305 D324 W326 M328	P286-L308 HydrophobicContact CB-CD1 3.91Å; P286-L308 HydrophobicContact CG-CD1 3.81Å; P286-L308 HydrophobicContact CG-CD2 3.78Å; P286-L308 HydrophobicContact CG-CG 4.28Å; L305-L308 HydrophobicContact CD1-CD2 4.43Å; L308-D324 HydrophobicContact CB-CB 3.59Å; L308-D324 HydrophobicContact CD1-CB 4.18Å; L308-W326 HydrophobicContact CD1-CB 3.9Å; L308-W326 HydrophobicContact CD1-CG 4.47Å; L308-M328 HydrophobicContact CD1-CB 4.49Å; L308-M328 HydrophobicContact CD2-SD 4.34Å; L308-M328 HydrophobicContact CG-SD 3.93Å
309	K	67	Low	79.9	Confident	113 Å²	113	62.4 Å²	62.4	49%	0.491	33%	0.332	S	S	.	.			trans	-77.3	150.3	-170.5	-68.1	-170.5	176.3	-163.8	0	110.1	R294 D307	R294-K309 WeakPolarHBondContact CD-O 3.43Å; R294-K309 PolarHBondContact NE-O 3.09Å; D307-K309 HydrophobicContact CB-CB 4.17Å; D307-K309 HydrophobicContact CB-CG 4.24Å; D307-K309 PolarHBondContact OD1-N 3.35Å; D307-K309 VanDerWaalsContact OD1-N 3.12Å
310	H	60.6	Low	78.5	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.329	35%	0.346	S	S	.	.	S	Bend	trans	58.4	79.2	175.3	-54.6	26.4	0	0	0	110.3	V312 A313	H310-V312 PolarHBondContact O-N 2.97Å; H310-A313 HydrophobicContact CB-CB 4.42Å; H310-A313 PolarHBondContact O-N 3.35Å
311	K	60.2	Low	77.2	Confident	41 Å²	41	70.8 Å²	70.8	18%	0.178	38%	0.377	C	S	.	.	S	Bend	trans	-41.2	-34.3	-174	-74	-170.6	179.9	-168.3	0	113.3	R292 K322 D370 D410	R292-K311 WeakPolarHBondContact CD-O 3.23Å; K311-K322 HydrophobicContact CD-CB 4.01Å; K311-K322 HydrophobicContact CD-CD 4.39Å; K311-K322 HydrophobicContact CG-CB 4.27Å; K311-K322 PolarHBondContact N-O 2.83Å; K311-D370 IonicContact NZ-OD2 3.7Å; K311-D410 IonicContact NZ-OD2 2.95Å; K311-D410 PolarHBondContact NZ-OD2 3.46Å
312	V	60	Low	75.8	Confident	50 Å²	50	71.2 Å²	71.2	30%	0.303	38%	0.378	S	S	.	.	S	Bend	trans	-131.1	-24.8	-177.5	-142.1	0	0	0	0	115.1	H310 E372	H310-V312 PolarHBondContact O-N 2.97Å; V312-E372 HydrophobicContact CG1-CG 3.98Å; V312-E372 WeakPolarHBondContact CG1-OE1 3.34Å
313	A	64.4	Low	74.6	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.033	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-90.3	132.2	-162.1	0	0	0	0	0	114.8	H310 E317	H310-A313 HydrophobicContact CB-CB 4.42Å; H310-A313 PolarHBondContact O-N 3.35Å; A313-E317 HydrophobicContact CB-CB 4.24Å
314	F	78.7	Confident	73.9	Confident	61 Å²	61	70.7 Å²	70.7	27%	0.268	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-89	168.4	167.4	-63.6	-85.6	0	0	0	112.3	E293 R294 L297 G316 E317	E293-F314 HydrophobicContact CG-CE2 4.42Å; E293-F314 HydrophobicContact CG-CZ 4.21Å; R294-F314 HydrophobicContact CB-CE1 4.42Å; R294-F314 HydrophobicContact CB-CZ 4.21Å; R294-F314 HydrophobicContact CG-CE1 4.35Å; L297-F314 HydrophobicContact CD1-CE1 3.98Å; L297-F314 HydrophobicContact CD1-CZ 3.77Å; F314-G316 PolarHBondContact O-N 2.95Å; F314-E317 HydrophobicContact CB-CG 4.32Å; F314-E317 WeakPolarHBondContact CD2-OE2 3.23Å; F314-E317 PolarHBondContact N-OE2 3.46Å; F314-E317 WeakPolarHBondContact O-CB 3.47Å; F314-E317 PolarHBondContact O-N 2.84Å
315	V	73.6	Confident	73	Confident	154 Å²	154	75.1 Å²	75.1	93%	0.933	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	123.6	177.4	177.3	0	0	0	0	110
316	G	70.9	Confident	72.5	Confident	83 Å²	83	78.1 Å²	78.1	86%	0.856	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-7.1	-178	0	0	0	0	0	114.3	F314	F314-G316 PolarHBondContact O-N 2.95Å
317	E	78.1	Confident	71.6	Confident	110 Å²	110	79.3 Å²	79.3	51%	0.514	43%	0.43	S	S	.	.	S	Bend	trans	-89.7	160.5	170.4	-60.7	177.6	174.2	0	0	110.9	A313 F314 S319	A313-E317 HydrophobicContact CB-CB 4.24Å; F314-E317 HydrophobicContact CB-CG 4.32Å; F314-E317 WeakPolarHBondContact CD2-OE2 3.23Å; F314-E317 PolarHBondContact N-OE2 3.46Å; F314-E317 WeakPolarHBondContact O-CB 3.47Å; F314-E317 PolarHBondContact O-N 2.84Å; E317-S319 PolarHBondContact O-N 2.95Å
318	K	69.8	Low	71.2	Confident	207 Å²	207	79.9 Å²	79.9	90%	0.9	43%	0.432	S	S	*	.			trans	-72.4	111	173.4	-72.1	-175.4	178.8	-178.6	0	108.8
319	S	69.8	Low	70.4	Confident	39 Å²	39	84 Å²	84	27%	0.273	45%	0.453	S	S	.	.			trans	-57.1	138.5	162.7	174.6	0	0	0	0	109.5	E317 D321	E317-S319 PolarHBondContact O-N 2.95Å; S319-D321 WeakPolarHBondContact CB-OD1 3.25Å; S319-D321 WeakPolarHBondContact OG-CA 3.34Å; S319-D321 PolarHBondContact OG-N 2.77Å; S319-D321 PolarHBondContact OG-OD1 3.35Å
320	D	67.7	Low	70.6	Confident	60 Å²	60	83.1 Å²	83.1	32%	0.321	45%	0.453	S	S	.	.			trans	-85.4	4.9	165.7	69.3	-19.7	0	0	0	112	K322	D320-K322 HydrophobicContact CB-CG 4.38Å; D320-K322 PolarHBondContact O-N 2.87Å; D320-K322 WeakPolarHBondContact OD1-CB 3.44Å; D320-K322 PolarHBondContact OD1-N 3.24Å; D320-K322 WeakPolarHBondContact OD2-CD 3.4Å; D320-K322 WeakPolarHBondContact OD2-CE 3.28Å; D320-K322 VanDerWaalsContact OD2-CG 3.31Å; D320-K322 WeakPolarHBondContact OD2-CG 3.2Å; D320-K322 IonicContact OD2-NZ 2.75Å; D320-K322 PolarHBondContact OD2-NZ 3.29Å
321	D	68.4	Low	71.8	Confident	138 Å²	138	83.2 Å²	83.2	74%	0.738	46%	0.456	S	S	*	.			trans	54	17.8	-176	-57.8	-31.9	0	0	0	113.2	S319	S319-D321 WeakPolarHBondContact CB-OD1 3.25Å; S319-D321 WeakPolarHBondContact OG-CA 3.34Å; S319-D321 PolarHBondContact OG-N 2.77Å; S319-D321 PolarHBondContact OG-OD1 3.35Å
322	K	67.8	Low	73.3	Confident	88 Å²	88	83.1 Å²	83.1	38%	0.383	46%	0.457	S	S	.	.			trans	-87.3	114.4	172.6	-60.8	-171.8	-156	139.9	0	109	K311 D320 D370	K311-K322 HydrophobicContact CD-CB 4.01Å; K311-K322 HydrophobicContact CD-CD 4.39Å; K311-K322 HydrophobicContact CG-CB 4.27Å; K311-K322 PolarHBondContact N-O 2.83Å; D320-K322 HydrophobicContact CB-CG 4.38Å; D320-K322 PolarHBondContact O-N 2.87Å; D320-K322 WeakPolarHBondContact OD1-CB 3.44Å; D320-K322 PolarHBondContact OD1-N 3.24Å; D320-K322 WeakPolarHBondContact OD2-CD 3.4Å; D320-K322 WeakPolarHBondContact OD2-CE 3.28Å; D320-K322 VanDerWaalsContact OD2-CG 3.31Å; D320-K322 WeakPolarHBondContact OD2-CG 3.2Å; D320-K322 IonicContact OD2-NZ 2.75Å; D320-K322 PolarHBondContact OD2-NZ 3.29Å; K322-D370 IonicContact NZ-OD1 3.8Å; K322-D370 PolarHBondContact NZ-OD1 2.69Å; K322-D370 IonicContact NZ-OD2 3.68Å; K322-D370 PolarHBondContact NZ-OD2 3.35Å
323	E	70.5	Confident	74.9	Confident	105 Å²	105	80.8 Å²	80.8	49%	0.491	44%	0.443	S	S	.	.			trans	-102.4	147.1	169.1	-62.3	-166	150.8	0	0	110.2	S325	E323-S325 PolarHBondContact O-N 3.08Å
324	D	82.1	Confident	76.5	Confident	22 Å²	22	80.6 Å²	80.6	12%	0.118	44%	0.441	C	S	.	.			trans	-68.4	125.4	163.7	-160.7	-30.2	0	0	0	108.5	R243 L308 W326	R243-D324 IonicContact CZ-OD1 3.26Å; R243-D324 IonicContact CZ-OD2 2.61Å; R243-D324 VanDerWaalsContact NH1-CG 3.26Å; R243-D324 IonicContact NH1-OD1 3.81Å; R243-D324 PolarHBondContact NH1-OD1 3.48Å; R243-D324 VanDerWaalsContact NH1-OD1 3.07Å; R243-D324 IonicContact NH1-OD2 3.35Å; R243-D324 PolarHBondContact NH1-OD2 3.36Å; R243-D324 IonicContact NH2-OD1 2.66Å; R243-D324 PolarHBondContact NH2-OD1 2.79Å; R243-D324 IonicContact NH2-OD2 2.71Å; R243-D324 PolarHBondContact NH2-OD2 2.9Å; L308-D324 HydrophobicContact CB-CB 3.59Å; L308-D324 HydrophobicContact CD1-CB 4.18Å; D324-W326 PolarHBondContact O-N 3.06Å; D324-W326 WeakPolarHBondContact OD1-CB 3.42Å; D324-W326 PolarHBondContact OD1-N 3.17Å
325	S	76	Confident	77.4	Confident	119 Å²	119	78 Å²	78	83%	0.832	43%	0.431	S	S	*	.			trans	-76	-7.2	179.5	53.5	0	0	0	0	112.9	E323	E323-S325 PolarHBondContact O-N 3.08Å
326	W	83.1	Confident	78.6	Confident	63 Å²	63	70.7 Å²	70.7	24%	0.239	39%	0.387	C	S	.	.	S	Bend	trans	-66	130.7	179.7	-167.2	-85.2	0	0	0	111.5	A241 R243 P286 L308 D324 M328	A241-W326 HydrophobicContact CB-CH2 4.06Å; A241-W326 HydrophobicContact CB-CZ2 3.86Å; R243-W326 VanDerWaalsContact CA-CH2 3.42Å; R243-W326 HydrophobicContact CB-CD2 3.98Å; R243-W326 HydrophobicContact CB-CE3 3.87Å; R243-W326 HydrophobicContact CB-CH2 3.52Å; R243-W326 HydrophobicContact CB-CZ2 3.63Å; R243-W326 HydrophobicContact CB-CZ3 3.65Å; R243-W326 HydrophobicContact CG-CD2 4.09Å; R243-W326 HydrophobicContact CG-CE3 3.63Å; R243-W326 HydrophobicContact CG-CH2 4.02Å; R243-W326 HydrophobicContact CG-CZ2 4.45Å; R243-W326 HydrophobicContact CG-CZ3 3.59Å; P286-W326 HydrophobicContact CB-CG 3.87Å; L308-W326 HydrophobicContact CD1-CB 3.9Å; L308-W326 HydrophobicContact CD1-CG 4.47Å; D324-W326 PolarHBondContact O-N 3.06Å; D324-W326 WeakPolarHBondContact OD1-CB 3.42Å; D324-W326 PolarHBondContact OD1-N 3.17Å; W326-M328 PolarHBondContact O-N 2.85Å
327	P	71.4	Confident	79.9	Confident	89 Å²	89	66.9 Å²	66.9	58%	0.578	35%	0.346	S	S	*	.			trans	-66.9	133.1	-177.8	26.9	-34.6	0	0	0	111.5
328	M	73.2	Confident	80.9	Confident	47 Å²	47	61.6 Å²	61.6	23%	0.232	32%	0.322	C	S	.	.			trans	-133.9	105.6	173.1	-174.9	173.1	164.4	0	0	109.2	L305 L306 L308 W326 D330 I332	L305-M328 VanDerWaalsContact C-CE 3.43Å; L305-M328 HydrophobicContact CB-CE 4.19Å; L305-M328 WeakPolarHBondContact O-CE 3.37Å; L306-M328 WeakPolarHBondContact O-CE 3.24Å; L308-M328 HydrophobicContact CD1-CB 4.49Å; L308-M328 HydrophobicContact CD2-SD 4.34Å; L308-M328 HydrophobicContact CG-SD 3.93Å; W326-M328 PolarHBondContact O-N 2.85Å; M328-D330 WeakPolarHBondContact CE-O 3.45Å; M328-I332 HydrophobicContact CE-CG1 4.26Å; M328-I332 HydrophobicContact CG-CD1 4.17Å; M328-I332 HydrophobicContact SD-CD1 4.44Å
329	M	64.6	Low	82.2	Confident	101 Å²	101	52 Å²	52	50%	0.498	28%	0.28	S	S	.	.			trans	-91.8	-30.8	-174.4	-65.5	-130.4	-169.3	0	0	113.8	I236	I236-M329 HydrophobicContact CD1-CE 3.96Å; I236-M329 HydrophobicContact CD1-SD 3.51Å; I236-M329 VanDerWaalsContact CD1-SD 3.51Å; I236-M329 HydrophobicContact CG1-CE 3.6Å; I236-M329 HydrophobicContact CG1-SD 3.88Å
330	D	72.5	Confident	83.6	Confident	93 Å²	93	50.1 Å²	50.1	50%	0.497	27%	0.267	S	S	.	.	S	Bend	trans	-137.6	161.8	178.7	-68.9	-51.4	0	0	0	108.8	R50 M328 I332	R50-D330 IonicContact CZ-OD1 3.83Å; R50-D330 IonicContact NH1-OD1 3.25Å; R50-D330 PolarHBondContact NH1-OD1 2.77Å; R50-D330 IonicContact NH1-OD2 3.79Å; M328-D330 WeakPolarHBondContact CE-O 3.45Å; D330-I332 PolarHBondContact O-N 3Å
331	D	85.3	Confident	85.1	Confident	74 Å²	74	48.6 Å²	48.6	40%	0.396	26%	0.261	S	S	.	.			trans	-58.4	134.4	170.4	-55.9	-19.5	0	0	0	110.7	L305 L306	L305-D331 CarbonylContact O-C 3.48Å; L305-D331 VanDerWaalsContact O-CA 3.31Å; L305-D331 WeakPolarHBondContact O-CA 3.43Å; L306-D331 HydrophobicContact CD2-CB 4.04Å; L306-D331 VanDerWaalsContact CD2-CG 3.5Å
332	I	90.5	Very high	86.5	Confident	39 Å²	39	42.2 Å²	42.2	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.4	-175.3	-61.9	177.2	0	0	0	109.1	P286 Q304 L305 M328 D330 Q334	P286-I332 VanDerWaalsContact CD-CD1 3.48Å; P286-I332 HydrophobicContact CG-CD1 3.71Å; Q304-I332 CarbonylContact C-O 3.49Å; Q304-I332 WeakPolarHBondContact CA-O 3.27Å; Q304-I332 WeakPolarHBondContact CB-O 3.46Å; L305-I332 HydrophobicContact CB-CB 4.42Å; L305-I332 PolarHBondContact N-O 3.12Å; L305-I332 PolarHBondContact O-N 3.35Å; M328-I332 HydrophobicContact CE-CG1 4.26Å; M328-I332 HydrophobicContact CG-CD1 4.17Å; M328-I332 HydrophobicContact SD-CD1 4.44Å; D330-I332 PolarHBondContact O-N 3Å; I332-Q334 PolarHBondContact O-N 3.39Å
333	N	94.9	Very high	88	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	125.3	172.6	-169	-79.3	0	0	0	110.8	Q533 R537 P579 L581	N333-Q533 PolarHBondContact ND2-OE1 3.08Å; N333-R537 HydrophobicContact CB-CB 4.48Å; N333-R537 HydrophobicContact CB-CG 4.18Å; N333-R537 WeakPolarHBondContact O-CG 3.27Å; N333-R537 PolarHBondContact O-NE 3.44Å; N333-R537 PolarHBondContact O-NH1 2.88Å; N333-P579 WeakPolarHBondContact CB-O 3.41Å; N333-P579 PolarHBondContact ND2-O 2.98Å; N333-L581 HydrophobicContact CB-CD1 4.23Å; N333-L581 HydrophobicContact CB-CD2 3.84Å; N333-L581 HydrophobicContact CB-CG 3.72Å
334	Q	97.5	Very high	89.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.			trans	-147	66	179.4	-175.6	69.1	71.7	0	0	108.6	M291 S299 G303 L305 I332 I336	M291-Q334 VanDerWaalsContact CE-CD 3.4Å; M291-Q334 HydrophobicContact CE-CG 3.36Å; S299-Q334 WeakPolarHBondContact CA-O 3.33Å; S299-Q334 WeakPolarHBondContact CB-O 3.33Å; S299-Q334 PolarHBondContact OG-O 3.3Å; G303-Q334 CarbonylContact C-O 3.5Å; G303-Q334 CarbonylContact O-C 3.47Å; G303-Q334 VanDerWaalsContact O-C 3.3Å; G303-Q334 PolarHBondContact O-N 3.47Å; L305-Q334 HydrophobicContact CD1-CB 4.4Å; L305-Q334 HydrophobicContact CD1-CG 4.36Å; L305-Q334 HydrophobicContact CD2-CB 4.41Å; L305-Q334 HydrophobicContact CD2-CG 4.23Å; L305-Q334 HydrophobicContact CG-CB 3.82Å; L305-Q334 HydrophobicContact CG-CG 4.03Å; I332-Q334 PolarHBondContact O-N 3.39Å; Q334-I336 PolarHBondContact NE2-O 2.89Å; Q334-I336 PolarHBondContact O-N 3.35Å
335	S	97.9	Very high	90	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.049	24%	0.243	C	C	.	.			trans	-68.5	-15.5	-175.8	65.9	0	0	0	0	114.8	G303 T530 W534	G303-S335 PolarHBondContact O-N 3.38Å; S335-T530 WeakPolarHBondContact CB-O 3.41Å; S335-T530 WeakPolarHBondContact O-CG2 3.5Å; S335-T530 PolarHBondContact OG-O 3.05Å; S335-W534 PolarHBondContact OG-N 3.31Å
336	I	98.3	Very high	91	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-118.6	128.9	-179	-63.8	-64.4	0	0	0	110.2	W275 S299 Q334 Q385 M525 T530 E531 W534	W275-I336 HydrophobicContact CH2-CG2 3.99Å; W275-I336 HydrophobicContact CZ2-CG2 4.45Å; S299-I336 VanDerWaalsContact OG-C 3.23Å; S299-I336 PolarHBondContact OG-O 3.17Å; Q334-I336 PolarHBondContact NE2-O 2.89Å; Q334-I336 PolarHBondContact O-N 3.35Å; I336-Q385 HydrophobicContact CD1-CG 4.2Å; I336-M525 HydrophobicContact CB-CE 4.23Å; I336-M525 HydrophobicContact CD1-CE 3.62Å; I336-M525 HydrophobicContact CD1-SD 3.98Å; I336-M525 HydrophobicContact CG1-CE 3.65Å; I336-M525 HydrophobicContact CG1-SD 4.39Å; I336-M525 HydrophobicContact CG2-CE 3.64Å; I336-M525 HydrophobicContact CG2-SD 3.57Å; I336-M525 VanDerWaalsContact CG2-SD 3.57Å; I336-T530 HydrophobicContact CD1-CG2 3.89Å; I336-E531 HydrophobicContact CD1-CB 4.2Å; I336-W534 HydrophobicContact CB-CB 4.12Å; I336-W534 HydrophobicContact CB-CG 4.17Å; I336-W534 HydrophobicContact CG1-CB 3.51Å; I336-W534 HydrophobicContact CG1-CG 3.89Å
337	P	98.3	Very high	91.7	Very high	2 Å²	2	39 Å²	39	1%	0.013	22%	0.216	C	C	.	.			trans	-73	130.4	170.6	30.7	-35.8	0	0	0	110.9	M291 Y296 M300 V339	M291-P337 HydrophobicContact SD-CB 4.21Å; Y296-P337 HydrophobicContact CD2-CB 3.76Å; Y296-P337 HydrophobicContact CE2-CB 4.03Å; Y296-P337 HydrophobicContact CE2-CG 4.41Å; M300-P337 HydrophobicContact SD-CB 4.36Å; M300-P337 HydrophobicContact SD-CG 3.77Å; P337-V339 HydrophobicContact CB-CG1 4.17Å
338	I	98.7	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.			trans	-107.4	96.1	175	-55.1	178.5	0	0	0	107.6	W275 V278 L279 A284 L287 F290 M291 W534	W275-I338 HydrophobicContact CB-CG2 4.14Å; W275-I338 HydrophobicContact CD2-CG2 4.19Å; W275-I338 HydrophobicContact CE3-CB 4.41Å; W275-I338 HydrophobicContact CE3-CD1 4.11Å; W275-I338 HydrophobicContact CE3-CG1 3.9Å; W275-I338 HydrophobicContact CE3-CG2 3.8Å; W275-I338 HydrophobicContact CG-CG2 4.36Å; W275-I338 HydrophobicContact CZ3-CD1 4.01Å; W275-I338 HydrophobicContact CZ3-CG1 3.84Å; V278-I338 HydrophobicContact CG1-CD1 3.88Å; L279-I338 HydrophobicContact CD1-CG2 3.88Å; L279-I338 HydrophobicContact CD2-CG2 4.03Å; L279-I338 HydrophobicContact CG-CG2 3.89Å; A284-I338 HydrophobicContact CB-CD1 3.43Å; A284-I338 VanDerWaalsContact CB-CD1 3.43Å; L287-I338 HydrophobicContact CD1-CB 4.39Å; L287-I338 HydrophobicContact CD1-CD1 4.2Å; F290-I338 HydrophobicContact CD1-CG2 4.34Å; M291-I338 HydrophobicContact CE-CB 4.37Å; M291-I338 HydrophobicContact CE-CG1 4.44Å; M291-I338 WeakPolarHBondContact CG-O 3.44Å; M291-I338 PolarHBondContact N-O 2.95Å; M291-I338 PolarHBondContact SD-N 3.05Å; I338-W534 HydrophobicContact CD1-CH2 3.76Å; I338-W534 HydrophobicContact CD1-CZ2 4.23Å; I338-W534 HydrophobicContact CD1-CZ3 4.1Å
339	V	98.7	Very high	93.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	23%	0.229	C	C	.	.			trans	-131.7	155.8	-167.6	-65.6	0	0	0	0	110.6	M291 Y296 P337 L406	M291-V339 HydrophobicContact CB-CG1 4.04Å; Y296-V339 HydrophobicContact CD2-CG1 3.82Å; P337-V339 HydrophobicContact CB-CG1 4.17Å; V339-L406 HydrophobicContact CB-CD1 3.97Å; V339-L406 HydrophobicContact CB-CD2 3.91Å; V339-L406 HydrophobicContact CB-CG 4.39Å; V339-L406 HydrophobicContact CG1-CD1 3.91Å; V339-L406 HydrophobicContact CG2-CD1 4.1Å; V339-L406 HydrophobicContact CG2-CD2 3.79Å
340	L	98.8	Very high	95.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104	177.9	178	59.1	0	0	0	110.4	V266 L268 D272 F290 I342 L358 L406 L407	V266-L340 HydrophobicContact CG1-CD2 4.32Å; L268-L340 HydrophobicContact CD2-CD1 3.68Å; L268-L340 HydrophobicContact CD2-CD2 4.04Å; D272-L340 HydrophobicContact CB-CD1 3.88Å; F290-L340 HydrophobicContact CB-CB 4.18Å; F290-L340 HydrophobicContact CD1-CB 3.74Å; F290-L340 HydrophobicContact CD2-CB 3.88Å; F290-L340 HydrophobicContact CD2-CD2 3.99Å; F290-L340 HydrophobicContact CE1-CB 4.01Å; F290-L340 HydrophobicContact CE2-CB 4.16Å; F290-L340 HydrophobicContact CE2-CD2 3.92Å; F290-L340 HydrophobicContact CE2-CG 4.49Å; F290-L340 HydrophobicContact CG-CB 3.66Å; F290-L340 HydrophobicContact CZ-CB 4.21Å; F290-L340 HydrophobicContact CZ-CD1 4.44Å; F290-L340 HydrophobicContact CZ-CD2 4.47Å; L340-I342 HydrophobicContact CG-CG2 4.46Å; L340-L358 HydrophobicContact CD2-CD1 4.5Å; L340-L358 HydrophobicContact CD2-CD2 4.06Å; L340-L406 WeakPolarHBondContact O-CA 3.45Å; L340-L407 HydrophobicContact CB-CB 4.5Å; L340-L407 HydrophobicContact CD2-CB 4.45Å; L340-L407 HydrophobicContact CD2-CD2 4.08Å; L340-L407 PolarHBondContact O-N 2.63Å
341	P	98.6	Very high	96.2	Very high	27 Å²	27	39 Å²	39	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.3	176.2	-16.8	31.8	0	0	0	112.3	W405 L406	P341-W405 CarbonylContact C-O 3.53Å; P341-W405 VanDerWaalsContact CA-O 3.3Å; P341-W405 WeakPolarHBondContact CA-O 3.12Å; P341-L406 HydrophobicContact CB-CD2 4.2Å; P341-L406 HydrophobicContact CG-CD2 4.07Å
342	I	98.6	Very high	96.5	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.5	174.3	66.6	172.7	0	0	0	111.1	V266 L340 V346 K347 L350 I373 G403 N404 W405 L407	V266-I342 HydrophobicContact CG1-CG2 4.14Å; L340-I342 HydrophobicContact CG-CG2 4.46Å; I342-V346 HydrophobicContact CB-CB 4.16Å; I342-V346 HydrophobicContact CB-CG1 3.88Å; I342-V346 HydrophobicContact CD1-CG1 4.27Å; I342-V346 HydrophobicContact CG2-CG1 4.1Å; I342-K347 HydrophobicContact CD1-CB 4.1Å; I342-L350 HydrophobicContact CD1-CD1 4.02Å; I342-I373 HydrophobicContact CD1-CD1 4.03Å; I342-I373 HydrophobicContact CD1-CG1 4.3Å; I342-I373 HydrophobicContact CD1-CG2 4.16Å; I342-G403 CarbonylContact O-C 3.59Å; I342-G403 WeakPolarHBondContact O-CA 3.32Å; I342-N404 PolarHBondContact O-N 3.31Å; I342-W405 HydrophobicContact CD1-CB 4.38Å; I342-W405 HydrophobicContact CG1-CB 3.75Å; I342-W405 PolarHBondContact N-O 2.84Å; I342-W405 PolarHBondContact O-N 3.31Å; I342-L407 HydrophobicContact CD1-CB 4.21Å; I342-L407 HydrophobicContact CG2-CB 4.04Å; I342-L407 HydrophobicContact CG2-CD2 4.34Å
343	S	98.1	Very high	96.7	Very high	53 Å²	53	39.1 Å²	39.1	37%	0.371	24%	0.237	S	C	.	.			trans	-76	166	177.5	69.9	0	0	0	0	112	D345 V346 K347	S343-D345 PolarHBondContact O-N 2.97Å; S343-V346 PolarHBondContact O-N 2.88Å; S343-V346 WeakPolarHBondContact OG-CG2 3.5Å; S343-V346 PolarHBondContact OG-N 3.46Å; S343-K347 PolarHBondContact O-N 3.43Å
344	D	98	Very high	96.7	Very high	66 Å²	66	44 Å²	44	35%	0.353	27%	0.267	S	S	.	.	H	α-helix	trans	-57.9	-36.8	176.2	-63.9	-80	0	0	0	112.9	K347 K348 N404 W405	D344-K347 PolarHBondContact O-N 3.23Å; D344-K348 WeakPolarHBondContact O-CG 3.36Å; D344-K348 PolarHBondContact O-N 3.42Å; D344-K348 VanDerWaalsContact O-N 3.17Å; D344-N404 PolarHBondContact OD2-ND2 2.68Å; D344-W405 PolarHBondContact OD1-NE1 3.26Å
345	D	96.4	Very high	96.8	Very high	115 Å²	115	47.2 Å²	47.2	62%	0.615	28%	0.279	S	S	*	.	H	α-helix	trans	-73.3	-36.6	179.7	-68.9	-27.7	0	0	0	112.2	S343 K348 G349	S343-D345 PolarHBondContact O-N 2.97Å; D345-K348 PolarHBondContact O-N 3.11Å; D345-K348 IonicContact OD1-NZ 3.91Å; D345-K348 PolarHBondContact OD1-NZ 3.43Å; D345-G349 PolarHBondContact O-N 3.24Å
346	V	97.5	Very high	96.8	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.285	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-46.2	172.3	174.1	0	0	0	0	110	V266 I342 S343 K348 G349 L350	V266-V346 HydrophobicContact CG2-CG1 3.84Å; I342-V346 HydrophobicContact CB-CB 4.16Å; I342-V346 HydrophobicContact CB-CG1 3.88Å; I342-V346 HydrophobicContact CD1-CG1 4.27Å; I342-V346 HydrophobicContact CG2-CG1 4.1Å; S343-V346 PolarHBondContact O-N 2.88Å; S343-V346 WeakPolarHBondContact OG-CG2 3.5Å; S343-V346 PolarHBondContact OG-N 3.46Å; V346-K348 VanDerWaalsContact C-N 3.34Å; V346-K348 PolarHBondContact O-N 3.21Å; V346-G349 PolarHBondContact O-N 3.16Å; V346-G349 VanDerWaalsContact O-N 3.09Å; V346-L350 HydrophobicContact CG1-CD1 3.84Å; V346-L350 HydrophobicContact CG1-CG 4.48Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 3.19Å
347	K	97.4	Very high	96.8	Very high	49 Å²	49	46.9 Å²	46.9	21%	0.213	28%	0.277	C	S	.	.	H	α-helix	trans	-54.7	-46.2	177.3	170.4	173.8	178.2	-77.2	0	112.8	I342 S343 D344 G349 L350 I373 W405	I342-K347 HydrophobicContact CD1-CB 4.1Å; S343-K347 PolarHBondContact O-N 3.43Å; D344-K347 PolarHBondContact O-N 3.23Å; K347-G349 PolarHBondContact O-N 3.49Å; K347-L350 PolarHBondContact O-N 3.11Å; K347-I373 HydrophobicContact CD-CG2 3.87Å; K347-I373 HydrophobicContact CG-CD1 4.45Å; K347-I373 HydrophobicContact CG-CG2 4.1Å; K347-W405 HydrophobicContact CB-CG 4.36Å; K347-W405 HydrophobicContact CD-CB 4.38Å; K347-W405 HydrophobicContact CD-CD2 3.2Å; K347-W405 HydrophobicContact CD-CE3 3.62Å; K347-W405 HydrophobicContact CD-CG 3.53Å; K347-W405 HydrophobicContact CD-CH2 4.12Å; K347-W405 HydrophobicContact CD-CZ2 3.74Å; K347-W405 HydrophobicContact CD-CZ3 4.06Å
348	K	95.8	Very high	96.8	Very high	129 Å²	129	46.8 Å²	46.8	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-57.5	-36.2	179.5	-70.3	167.7	-162.6	159	0	112.1	D344 D345 V346 L350	D344-K348 WeakPolarHBondContact O-CG 3.36Å; D344-K348 PolarHBondContact O-N 3.42Å; D344-K348 VanDerWaalsContact O-N 3.17Å; D345-K348 PolarHBondContact O-N 3.11Å; D345-K348 IonicContact OD1-NZ 3.91Å; D345-K348 PolarHBondContact OD1-NZ 3.43Å; V346-K348 VanDerWaalsContact C-N 3.34Å; V346-K348 PolarHBondContact O-N 3.21Å; K348-L350 PolarHBondContact O-N 3.2Å
349	G	95.2	Very high	96.8	Very high	51 Å²	51	49.1 Å²	49.1	53%	0.526	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.8	178.3	0	0	0	0	0	114.9	D345 V346 K347	D345-G349 PolarHBondContact O-N 3.24Å; V346-G349 PolarHBondContact O-N 3.16Å; V346-G349 VanDerWaalsContact O-N 3.09Å; K347-G349 PolarHBondContact O-N 3.49Å
350	L	96.5	Very high	96.8	Very high	8 Å²	8	51 Å²	51	4%	0.042	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	2.9	-174.7	-62.6	177.2	0	0	0	113.7	P264 V266 I342 V346 K347 K348 G352 V353 I356 I373 L407	P264-L350 HydrophobicContact CB-CD2 3.69Å; V266-L350 HydrophobicContact CG2-CD1 3.9Å; I342-L350 HydrophobicContact CD1-CD1 4.02Å; V346-L350 HydrophobicContact CG1-CD1 3.84Å; V346-L350 HydrophobicContact CG1-CG 4.48Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 3.19Å; K347-L350 PolarHBondContact O-N 3.11Å; K348-L350 PolarHBondContact O-N 3.2Å; L350-G352 PolarHBondContact O-N 3.04Å; L350-V353 WeakPolarHBondContact O-CB 3.47Å; L350-V353 WeakPolarHBondContact O-CG2 3.27Å; L350-V353 PolarHBondContact O-N 3.38Å; L350-I356 HydrophobicContact CD1-CD1 3.82Å; L350-I356 HydrophobicContact CD2-CD1 3.7Å; L350-I356 HydrophobicContact CD2-CG1 3.88Å; L350-I356 HydrophobicContact CD2-CG2 4.21Å; L350-I356 HydrophobicContact CG-CD1 4.2Å; L350-I373 HydrophobicContact CB-CD1 3.84Å; L350-I373 HydrophobicContact CD1-CD1 4.2Å; L350-L407 HydrophobicContact CD1-CD2 4.3Å
351	E	89.5	Confident	96.7	Very high	140 Å²	140	57.2 Å²	57.2	65%	0.654	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	127	178	-68.2	-176.7	177.4	0	0	111.5	V353	E351-V353 PolarHBondContact O-N 3.28Å
352	G	90.8	Very high	96.5	Very high	84 Å²	84	58.5 Å²	58.5	87%	0.866	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	4.1	-178.9	0	0	0	0	0	115	L350	L350-G352 PolarHBondContact O-N 3.04Å
353	V	95.5	Very high	96.4	Very high	33 Å²	33	62.6 Å²	62.6	20%	0.2	36%	0.364	C	S	.	.			trans	-80.1	133.8	178.9	178.5	0	0	0	0	109.7	P264 L350 E351 R355 I356 P371	P264-V353 HydrophobicContact CB-CG1 4.43Å; P264-V353 HydrophobicContact CG-CG1 3.9Å; P264-V353 HydrophobicContact CG-CG2 3.78Å; L350-V353 WeakPolarHBondContact O-CB 3.47Å; L350-V353 WeakPolarHBondContact O-CG2 3.27Å; L350-V353 PolarHBondContact O-N 3.38Å; E351-V353 PolarHBondContact O-N 3.28Å; V353-R355 WeakPolarHBondContact CG1-O 3.37Å; V353-I356 HydrophobicContact CG1-CG1 3.77Å; V353-P371 WeakPolarHBondContact O-CG 3.14Å
354	T	95.6	Very high	96.4	Very high	103 Å²	103	60.8 Å²	60.8	63%	0.632	35%	0.35	S	S	*	.	S	Bend	trans	-100.5	-19.6	-180	54.2	0	0	0	0	113.4	D370 P371	T354-D370 PolarHBondContact O-N 3.22Å; T354-P371 WeakPolarHBondContact O-CD 3.46Å
355	R	97.9	Very high	96.4	Very high	67 Å²	67	58.4 Å²	58.4	25%	0.253	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.3	-178.5	-66.2	172.5	65.4	96.7	-18.2	111	E259 L263 V353 I367 L368 S369	E259-R355 VanDerWaalsContact OE1-CD 3.31Å; E259-R355 WeakPolarHBondContact OE1-CD 3.47Å; E259-R355 IonicContact OE1-CZ 3.77Å; E259-R355 IonicContact OE1-NE 3.19Å; E259-R355 PolarHBondContact OE1-NE 3.09Å; E259-R355 IonicContact OE1-NH2 3.08Å; E259-R355 IonicContact OE2-CZ 3.64Å; E259-R355 IonicContact OE2-NE 2.87Å; E259-R355 PolarHBondContact OE2-NE 3.43Å; E259-R355 IonicContact OE2-NH2 3.43Å; E259-R355 PolarHBondContact OE2-NH2 3.44Å; L263-R355 HydrophobicContact CD1-CB 4.03Å; L263-R355 HydrophobicContact CD2-CB 4.09Å; V353-R355 WeakPolarHBondContact CG1-O 3.37Å; R355-I367 HydrophobicContact CB-CG2 4.28Å; R355-L368 CarbonylContact C-O 3.46Å; R355-L368 VanDerWaalsContact CA-O 3.26Å; R355-L368 WeakPolarHBondContact CA-O 3.5Å; R355-S369 PolarHBondContact NH1-OG 2.92Å
356	I	98.5	Very high	96.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.4	-171.7	-57.2	172.2	0	0	0	108.7	V266 L350 V353 L358 I367 L368 P371 L407	V266-I356 HydrophobicContact CB-CG2 4.29Å; V266-I356 HydrophobicContact CG2-CG2 3.7Å; L350-I356 HydrophobicContact CD1-CD1 3.82Å; L350-I356 HydrophobicContact CD2-CD1 3.7Å; L350-I356 HydrophobicContact CD2-CG1 3.88Å; L350-I356 HydrophobicContact CD2-CG2 4.21Å; L350-I356 HydrophobicContact CG-CD1 4.2Å; V353-I356 HydrophobicContact CG1-CG1 3.77Å; I356-L358 HydrophobicContact CG2-CD2 4.27Å; I356-I367 CarbonylContact O-C 3.49Å; I356-I367 WeakPolarHBondContact O-CA 3.31Å; I356-L368 HydrophobicContact CB-CB 4.46Å; I356-L368 HydrophobicContact CD1-CD2 4.33Å; I356-L368 PolarHBondContact N-O 3.1Å; I356-L368 PolarHBondContact O-N 3.18Å; I356-P371 HydrophobicContact CD1-CB 3.85Å; I356-P371 HydrophobicContact CD1-CG 4.1Å; I356-L407 HydrophobicContact CD1-CD1 4Å; I356-L407 HydrophobicContact CD1-CD2 3.92Å
357	A	98.5	Very high	96.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.8	173	0	0	0	0	0	110.7	L263 P264 T265 V266 V364 I367	L263-A357 HydrophobicContact CB-CB 4.28Å; P264-A357 PolarHBondContact O-N 3.09Å; T265-A357 CarbonylContact C-O 3.35Å; T265-A357 VanDerWaalsContact CA-O 3.23Å; T265-A357 WeakPolarHBondContact CA-O 3.46Å; T265-A357 HydrophobicContact CG2-CB 4.13Å; V266-A357 PolarHBondContact N-O 2.97Å; A357-V364 HydrophobicContact CB-CG1 4.3Å; A357-V364 HydrophobicContact CB-CG2 4.43Å; A357-I367 HydrophobicContact CB-CD1 4.04Å
358	L	98.7	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.7	174.9	-55.1	-173.1	0	0	0	109.5	V266 L268 F290 L340 I356 Y365 A366 L368	V266-L358 HydrophobicContact CB-CD2 3.94Å; V266-L358 HydrophobicContact CG1-CD2 4.48Å; L268-L358 HydrophobicContact CD1-CB 4.09Å; L268-L358 HydrophobicContact CD2-CB 4.32Å; L268-L358 HydrophobicContact CD2-CD2 4.45Å; L268-L358 HydrophobicContact CG-CB 4.27Å; F290-L358 HydrophobicContact CD2-CD1 4.44Å; F290-L358 HydrophobicContact CE2-CD1 3.91Å; L340-L358 HydrophobicContact CD2-CD1 4.5Å; L340-L358 HydrophobicContact CD2-CD2 4.06Å; I356-L358 HydrophobicContact CG2-CD2 4.27Å; L358-Y365 PolarHBondContact O-N 2.78Å; L358-A366 HydrophobicContact CB-CB 4.33Å; L358-A366 HydrophobicContact CD1-CB 4.31Å; L358-A366 PolarHBondContact N-O 3.46Å; L358-A366 PolarHBondContact O-N 2.9Å; L358-L368 HydrophobicContact CD1-CB 4.26Å; L358-L368 HydrophobicContact CD2-CB 4.32Å; L358-L368 HydrophobicContact CG-CB 4.23Å
359	K	98.4	Very high	96.6	Very high	50 Å²	50	43.3 Å²	43.3	22%	0.217	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.1	-175.4	-73.5	-176	177	179.1	0	112.2	T265 V266 E267 L268 Q363 V364	T265-K359 HydrophobicContact CG2-CD 3.81Å; T265-K359 VanDerWaalsContact CG2-CE 3.48Å; T265-K359 HydrophobicContact CG2-CG 4.46Å; V266-K359 PolarHBondContact O-N 3.08Å; E267-K359 CarbonylContact C-O 3.09Å; E267-K359 VanDerWaalsContact OE2-CB 3.27Å; E267-K359 WeakPolarHBondContact OE2-CB 3.3Å; L268-K359 VanDerWaalsContact CB-O 3.31Å; L268-K359 WeakPolarHBondContact CB-O 3.49Å; L268-K359 WeakPolarHBondContact CG-O 3.08Å; L268-K359 PolarHBondContact N-O 2.87Å; K359-Q363 CarbonylContact C-O 3.38Å; K359-Q363 WeakPolarHBondContact CA-O 3.43Å; K359-V364 HydrophobicContact CD-CG2 4.15Å; K359-V364 HydrophobicContact CG-CB 4.43Å; K359-V364 HydrophobicContact CG-CG2 3.72Å
360	Y	98.2	Very high	96.5	Very high	44 Å²	44	43.2 Å²	43.2	17%	0.173	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	126.5	166.5	175.9	-101.1	0	0	0	109.2	E267 L268 K270 L273 G362 Q363 Y365	E267-Y360 WeakPolarHBondContact OE1-CA 3.24Å; L268-Y360 WeakPolarHBondContact O-CD2 3.31Å; K270-Y360 HydrophobicContact CB-CE2 4.14Å; L273-Y360 HydrophobicContact CB-CD2 4.4Å; L273-Y360 HydrophobicContact CB-CG 4.5Å; L273-Y360 HydrophobicContact CD2-CD1 3.49Å; L273-Y360 VanDerWaalsContact CD2-CD1 3.49Å; L273-Y360 HydrophobicContact CD2-CD2 4.23Å; L273-Y360 HydrophobicContact CD2-CE1 3.76Å; L273-Y360 HydrophobicContact CD2-CE2 4.49Å; L273-Y360 HydrophobicContact CD2-CG 3.73Å; Y360-G362 PolarHBondContact O-N 3.23Å; Y360-Q363 PolarHBondContact N-O 2.83Å; Y360-Q363 PolarHBondContact O-N 3.28Å; Y360-Q363 VanDerWaalsContact O-N 3.13Å; Y360-Y365 HydrophobicContact CD1-CE2 4.34Å
361	N	96.1	Very high	96.4	Very high	130 Å²	130	44.3 Å²	44.3	70%	0.695	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	41.1	-172.4	-69.5	-20.6	0	0	0	112.1	E267 Q363	E267-N361 PolarHBondContact OE1-N 2.99Å; N361-Q363 PolarHBondContact O-N 2.97Å
362	G	94.4	Very high	96.6	Very high	54 Å²	54	38.7 Å²	38.7	56%	0.557	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	-6.8	179.1	0	0	0	0	0	116	E267 Y360	E267-G362 PolarHBondContact OE1-N 2.98Å; Y360-G362 PolarHBondContact O-N 3.23Å
363	Q	96.9	Very high	96.9	Very high	92 Å²	92	37 Å²	37	43%	0.43	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.9	178	179.6	170.2	-2.9	0	0	111.1	K359 Y360 N361 Y365	K359-Q363 CarbonylContact C-O 3.38Å; K359-Q363 WeakPolarHBondContact CA-O 3.43Å; Y360-Q363 PolarHBondContact N-O 2.83Å; Y360-Q363 PolarHBondContact O-N 3.28Å; Y360-Q363 VanDerWaalsContact O-N 3.13Å; N361-Q363 PolarHBondContact O-N 2.97Å; Q363-Y365 HydrophobicContact CB-CE2 4.1Å; Q363-Y365 HydrophobicContact CG-CD2 4.46Å; Q363-Y365 HydrophobicContact CG-CE2 4.02Å; Q363-Y365 WeakPolarHBondContact O-CD2 3.39Å
364	V	98	Very high	96.9	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.085	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.6	178.8	178.5	0	0	0	0	110.1	L257 A357 K359 I367 V414 Q415	L257-V364 HydrophobicContact CD2-CB 4.18Å; L257-V364 HydrophobicContact CD2-CG1 4.38Å; A357-V364 HydrophobicContact CB-CG1 4.3Å; A357-V364 HydrophobicContact CB-CG2 4.43Å; K359-V364 HydrophobicContact CD-CG2 4.15Å; K359-V364 HydrophobicContact CG-CB 4.43Å; K359-V364 HydrophobicContact CG-CG2 3.72Å; V364-I367 HydrophobicContact CG1-CD1 4.12Å; V364-V414 HydrophobicContact CG1-CG2 4.35Å; V364-Q415 PolarHBondContact O-NE2 2.8Å
365	Y	98.4	Very high	97	Very high	16 Å²	16	34.8 Å²	34.8	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-29.8	177.1	-82.8	-92	0	0	0	113.1	L273 L358 Y360 Q363 V413 V414 Q415 I417	L273-Y365 HydrophobicContact CD1-CD1 4.09Å; L273-Y365 HydrophobicContact CD1-CD2 4.23Å; L273-Y365 HydrophobicContact CD1-CE1 4.38Å; L273-Y365 HydrophobicContact CD1-CG 3.99Å; L358-Y365 PolarHBondContact O-N 2.78Å; Y360-Y365 HydrophobicContact CD1-CE2 4.34Å; Q363-Y365 HydrophobicContact CB-CE2 4.1Å; Q363-Y365 HydrophobicContact CG-CD2 4.46Å; Q363-Y365 HydrophobicContact CG-CE2 4.02Å; Q363-Y365 WeakPolarHBondContact O-CD2 3.39Å; Y365-V413 WeakPolarHBondContact O-CG1 3.16Å; Y365-V414 WeakPolarHBondContact O-CG2 3.38Å; Y365-V414 PolarHBondContact O-N 3.4Å; Y365-Q415 HydrophobicContact CD1-CG 3.78Å; Y365-Q415 HydrophobicContact CE1-CG 4.09Å; Y365-Q415 HydrophobicContact CG-CG 4.45Å; Y365-I417 HydrophobicContact CD1-CG1 3.73Å; Y365-I417 HydrophobicContact CE1-CG1 4.12Å
366	A	98.7	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	161.2	-177.4	0	0	0	0	0	112.8	L276 L358 V411 A412 V413	L276-A366 HydrophobicContact CD1-CB 4.26Å; L276-A366 HydrophobicContact CD2-CB 4.12Å; L358-A366 HydrophobicContact CB-CB 4.33Å; L358-A366 HydrophobicContact CD1-CB 4.31Å; L358-A366 PolarHBondContact N-O 3.46Å; L358-A366 PolarHBondContact O-N 2.9Å; A366-V411 HydrophobicContact CB-CG1 3.74Å; A366-A412 CarbonylContact C-O 3.59Å; A366-A412 WeakPolarHBondContact CA-O 3.32Å; A366-A412 WeakPolarHBondContact CB-O 3.49Å; A366-V413 HydrophobicContact CB-CB 4.43Å; A366-V413 HydrophobicContact CB-CG2 4.01Å
367	I	98.6	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.2	167.5	-52.9	-56.6	0	0	0	108.2	L256 L263 R355 I356 A357 V364 A412	L256-I367 HydrophobicContact CB-CG1 4.08Å; L256-I367 HydrophobicContact CD2-CG1 4.16Å; L263-I367 HydrophobicContact CD1-CD1 4.12Å; L263-I367 HydrophobicContact CD1-CG2 4.13Å; R355-I367 HydrophobicContact CB-CG2 4.28Å; I356-I367 CarbonylContact O-C 3.49Å; I356-I367 WeakPolarHBondContact O-CA 3.31Å; A357-I367 HydrophobicContact CB-CD1 4.04Å; V364-I367 HydrophobicContact CG1-CD1 4.12Å; I367-A412 PolarHBondContact N-O 2.96Å; I367-A412 PolarHBondContact O-N 2.85Å
368	L	98.5	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.6	171.2	-175.8	155.8	0	0	0	108.8	F290 R355 I356 L358 P371 L407 D410 V411	F290-L368 HydrophobicContact CD2-CD1 4.43Å; R355-L368 CarbonylContact C-O 3.46Å; R355-L368 VanDerWaalsContact CA-O 3.26Å; R355-L368 WeakPolarHBondContact CA-O 3.5Å; I356-L368 HydrophobicContact CB-CB 4.46Å; I356-L368 HydrophobicContact CD1-CD2 4.33Å; I356-L368 PolarHBondContact N-O 3.1Å; I356-L368 PolarHBondContact O-N 3.18Å; L358-L368 HydrophobicContact CD1-CB 4.26Å; L358-L368 HydrophobicContact CD2-CB 4.32Å; L358-L368 HydrophobicContact CG-CB 4.23Å; L368-P371 HydrophobicContact CD2-CB 3.65Å; L368-L407 HydrophobicContact CD1-CD2 4.13Å; L368-L407 HydrophobicContact CD1-CG 3.92Å; L368-L407 HydrophobicContact CD2-CD1 4.25Å; L368-L407 HydrophobicContact CD2-CG 4.49Å; L368-D410 CarbonylContact C-O 3.52Å; L368-D410 VanDerWaalsContact CA-O 3.31Å; L368-D410 WeakPolarHBondContact CA-O 3.38Å; L368-V411 HydrophobicContact CB-CG2 4.37Å; L368-V411 HydrophobicContact CD1-CG2 4.28Å; L368-V411 HydrophobicContact CG-CG2 4.3Å
369	S	96.4	Very high	97	Very high	23 Å²	23	45.4 Å²	45.4	16%	0.161	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.2	-178.8	-58	0	0	0	0	111.5	R355 D410	R355-S369 PolarHBondContact NH1-OG 2.92Å; S369-D410 PolarHBondContact N-O 3.28Å; S369-D410 PolarHBondContact O-N 3.47Å
370	D	92.3	Very high	97	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	51.4	178.3	-162.8	33.1	0	0	0	111.1	R292 K311 K322 T354	R292-D370 PolarHBondContact NH1-O 3.48Å; R292-D370 PolarHBondContact NH2-O 3.4Å; R292-D370 IonicContact NH2-OD2 2.79Å; K311-D370 IonicContact NZ-OD2 3.7Å; K322-D370 IonicContact NZ-OD1 3.8Å; K322-D370 PolarHBondContact NZ-OD1 2.69Å; K322-D370 IonicContact NZ-OD2 3.68Å; K322-D370 PolarHBondContact NZ-OD2 3.35Å; T354-D370 PolarHBondContact O-N 3.22Å
371	P	95.1	Very high	97	Very high	32 Å²	32	45.2 Å²	45.2	21%	0.208	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.3	-169.7	27.5	-35.5	0	0	0	112.4	V353 T354 I356 L368 L407 G408	V353-P371 WeakPolarHBondContact O-CG 3.14Å; T354-P371 WeakPolarHBondContact O-CD 3.46Å; I356-P371 HydrophobicContact CD1-CB 3.85Å; I356-P371 HydrophobicContact CD1-CG 4.1Å; L368-P371 HydrophobicContact CD2-CB 3.65Å; P371-L407 HydrophobicContact CB-CD1 3.67Å; P371-G408 WeakPolarHBondContact CA-O 3.32Å
372	E	94	Very high	97.1	Very high	21 Å²	21	39 Å²	39	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.8	166.1	-179.6	-168.7	-157.8	0	0	108.4	R292 E293 V312 F374 L407 G408	R292-E372 WeakPolarHBondContact CA-OE2 3.29Å; R292-E372 WeakPolarHBondContact CB-OE2 3.21Å; R292-E372 HydrophobicContact CG-CB 4.5Å; R292-E372 VanDerWaalsContact CG-OE2 3.25Å; R292-E372 WeakPolarHBondContact CG-OE2 3.39Å; E293-E372 WeakPolarHBondContact CB-OE1 3.39Å; E293-E372 PolarHBondContact N-OE2 2.85Å; V312-E372 HydrophobicContact CG1-CG 3.98Å; V312-E372 WeakPolarHBondContact CG1-OE1 3.34Å; E372-F374 HydrophobicContact CG-CD1 4.26Å; E372-L407 WeakPolarHBondContact O-CA 3.5Å; E372-G408 PolarHBondContact N-O 2.92Å; E372-G408 PolarHBondContact O-N 3.22Å
373	I	96.1	Very high	97.2	Very high	49 Å²	49	39.3 Å²	39.3	25%	0.251	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.2	176.7	-58.5	173.4	0	0	0	108.6	I342 K347 L350 W405 L406 L407	I342-I373 HydrophobicContact CD1-CD1 4.03Å; I342-I373 HydrophobicContact CD1-CG1 4.3Å; I342-I373 HydrophobicContact CD1-CG2 4.16Å; K347-I373 HydrophobicContact CD-CG2 3.87Å; K347-I373 HydrophobicContact CG-CD1 4.45Å; K347-I373 HydrophobicContact CG-CG2 4.1Å; L350-I373 HydrophobicContact CB-CD1 3.84Å; L350-I373 HydrophobicContact CD1-CD1 4.2Å; I373-W405 HydrophobicContact CG2-CB 3.94Å; I373-W405 HydrophobicContact CG2-CD2 4.42Å; I373-W405 HydrophobicContact CG2-CE3 4.06Å; I373-W405 HydrophobicContact CG2-CG 4.39Å; I373-L406 WeakPolarHBondContact CA-O 3.49Å; I373-L407 HydrophobicContact CD1-CD1 4.35Å; I373-L407 HydrophobicContact CG1-CD1 3.74Å
374	F	95.6	Very high	97.3	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.5	179.5	62.8	-82.3	0	0	0	111.1	E293 Y296 E372 H376 W405 L406	E293-F374 HydrophobicContact CB-CB 4.27Å; E293-F374 HydrophobicContact CB-CD1 3.85Å; E293-F374 HydrophobicContact CB-CD2 3.9Å; E293-F374 HydrophobicContact CB-CE1 4.11Å; E293-F374 HydrophobicContact CB-CE2 4.14Å; E293-F374 HydrophobicContact CB-CG 3.75Å; E293-F374 HydrophobicContact CB-CZ 4.24Å; E293-F374 HydrophobicContact CG-CB 4.46Å; E293-F374 HydrophobicContact CG-CD2 3.81Å; E293-F374 HydrophobicContact CG-CE2 4.16Å; E293-F374 HydrophobicContact CG-CG 4.07Å; Y296-F374 AromaticContact CD1-CE2 3.6Å; Y296-F374 HydrophobicContact CD1-CE2 3.6Å; Y296-F374 HydrophobicContact CD1-CZ 4.21Å; Y296-F374 HydrophobicContact CE1-CE2 4.18Å; Y296-F374 AromaticContact CG-CE2 3.92Å; Y296-F374 HydrophobicContact CG-CE2 3.92Å; Y296-F374 HydrophobicContact CG-CZ 4.07Å; E372-F374 HydrophobicContact CG-CD1 4.26Å; F374-H376 PolarHBondContact O-N 3.29Å; F374-W405 WeakPolarHBondContact O-CA 3.48Å; F374-L406 HydrophobicContact CD1-CB 4.37Å; F374-L406 HydrophobicContact CD2-CB 4.39Å; F374-L406 HydrophobicContact CE1-CB 3.87Å; F374-L406 HydrophobicContact CE2-CB 3.91Å; F374-L406 HydrophobicContact CE2-CD1 3.62Å; F374-L406 HydrophobicContact CE2-CG 4.27Å; F374-L406 HydrophobicContact CZ-CB 3.63Å; F374-L406 HydrophobicContact CZ-CD1 3.75Å; F374-L406 HydrophobicContact CZ-CG 4.31Å; F374-L406 PolarHBondContact N-O 3.36Å; F374-L406 VanDerWaalsContact N-O 3.15Å; F374-L406 PolarHBondContact O-N 2.86Å
375	E	97.7	Very high	97.3	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.374	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.1	-171.8	-168	179.6	162.6	0	0	111.8	R377 W405	E375-R377 PolarHBondContact O-N 3.37Å; E375-R377 VanDerWaalsContact O-N 3.1Å; E375-R377 IonicContact OE1-CZ 3.89Å; E375-R377 IonicContact OE1-NE 3.86Å; E375-R377 PolarHBondContact OE1-NE 3.33Å; E375-R377 IonicContact OE1-NH1 3.25Å; E375-R377 PolarHBondContact OE1-NH1 2.95Å; E375-R377 IonicContact OE1-NH2 3.44Å; E375-R377 IonicContact OE2-CZ 3.37Å; E375-R377 IonicContact OE2-NE 3.76Å; E375-R377 PolarHBondContact OE2-NE 3.47Å; E375-R377 IonicContact OE2-NH1 3.08Å; E375-R377 PolarHBondContact OE2-NH1 3.46Å; E375-R377 IonicContact OE2-NH2 3.7Å; E375-R377 PolarHBondContact OE2-NH2 3.3Å; E375-W405 HydrophobicContact CB-CE3 4.43Å; E375-W405 HydrophobicContact CB-CZ3 4.25Å
376	H	98.3	Very high	97.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	19%	0.189	C	C	.	.			trans	-83	86.2	173.9	-166.1	-169.1	0	0	0	109.3	F374 K378 R381 S402 G403 N404 L406	F374-H376 PolarHBondContact O-N 3.29Å; H376-K378 HydrophobicContact CB-CG 4.36Å; H376-K378 WeakPolarHBondContact O-CG 3.43Å; H376-K378 PolarHBondContact O-N 2.92Å; H376-R381 PolarHBondContact CE1-NH1 3.09Å; H376-R381 VanDerWaalsContact CE1-NH1 3.26Å; H376-R381 WeakPolarHBondContact NE2-CD 3.13Å; H376-R381 PolarHBondContact NE2-NH1 3.01Å; H376-S402 PolarHBondContact CE1-OG 3.46Å; H376-S402 VanDerWaalsContact CE1-OG 3.27Å; H376-G403 PolarHBondContact ND1-O 2.91Å; H376-N404 VanDerWaalsContact CB-C 3.45Å; H376-N404 WeakPolarHBondContact CB-O 3.4Å; H376-N404 PolarHBondContact N-O 3.01Å; H376-L406 HydrophobicContact CB-CD1 4.49Å; H376-L406 HydrophobicContact CB-CD2 4.04Å; H376-L406 HydrophobicContact CB-CG 3.78Å
377	R	98.1	Very high	97.2	Very high	139 Å²	139	42.7 Å²	42.7	53%	0.525	22%	0.222	S	C	.	.			trans	-67.3	74.6	174.3	-64.4	-66.3	-170.4	-170.7	-1.6	110.9	E375 D379 E380 R381	E375-R377 PolarHBondContact O-N 3.37Å; E375-R377 VanDerWaalsContact O-N 3.1Å; E375-R377 IonicContact OE1-CZ 3.89Å; E375-R377 IonicContact OE1-NE 3.86Å; E375-R377 PolarHBondContact OE1-NE 3.33Å; E375-R377 IonicContact OE1-NH1 3.25Å; E375-R377 PolarHBondContact OE1-NH1 2.95Å; E375-R377 IonicContact OE1-NH2 3.44Å; E375-R377 IonicContact OE2-CZ 3.37Å; E375-R377 IonicContact OE2-NE 3.76Å; E375-R377 PolarHBondContact OE2-NE 3.47Å; E375-R377 IonicContact OE2-NH1 3.08Å; E375-R377 PolarHBondContact OE2-NH1 3.46Å; E375-R377 IonicContact OE2-NH2 3.7Å; E375-R377 PolarHBondContact OE2-NH2 3.3Å; R377-D379 PolarHBondContact O-N 3.04Å; R377-E380 HydrophobicContact CB-CB 4.13Å; R377-E380 WeakPolarHBondContact O-CB 3.15Å; R377-E380 PolarHBondContact O-N 3.36Å; R377-E380 VanDerWaalsContact O-N 3.13Å; R377-R381 PolarHBondContact O-N 2.99Å
378	K	98.4	Very high	97.1	Very high	36 Å²	36	43.9 Å²	43.9	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-43.5	-168	-76.6	-178.9	-80.5	-178.1	0	113.3	H376 E380 R381 V382 V399 L400 S402 N404	H376-K378 HydrophobicContact CB-CG 4.36Å; H376-K378 WeakPolarHBondContact O-CG 3.43Å; H376-K378 PolarHBondContact O-N 2.92Å; K378-E380 PolarHBondContact O-N 3.41Å; K378-R381 WeakPolarHBondContact O-CB 3.46Å; K378-R381 PolarHBondContact O-N 3.01Å; K378-V382 WeakPolarHBondContact O-CG1 3.35Å; K378-V382 WeakPolarHBondContact O-CG2 3.43Å; K378-V382 PolarHBondContact O-N 3.13Å; K378-V399 HydrophobicContact CB-CG1 4.43Å; K378-V399 WeakPolarHBondContact CD-O 3.4Å; K378-V399 HydrophobicContact CG-CG1 4.21Å; K378-L400 HydrophobicContact CB-CD2 4.22Å; K378-L400 PolarHBondContact NZ-O 2.68Å; K378-S402 PolarHBondContact NZ-O 3.43Å; K378-N404 VanDerWaalsContact CE-OD1 3.24Å; K378-N404 WeakPolarHBondContact CE-OD1 2.9Å; K378-N404 PolarHBondContact NZ-OD1 3.29Å
379	D	98.1	Very high	97	Very high	108 Å²	108	48 Å²	48	58%	0.578	25%	0.251	S	S	*	.	H	α-helix	trans	-62.1	-41.9	177.9	-72.1	-34.1	0	0	0	112.5	R377 V382 C383	R377-D379 PolarHBondContact O-N 3.04Å; D379-V382 WeakPolarHBondContact O-CG2 3.2Å; D379-C383 WeakPolarHBondContact O-CB 3.41Å; D379-C383 PolarHBondContact O-N 3.21Å; D379-C383 VanDerWaalsContact O-N 3.13Å; D379-C383 PolarHBondContact O-SG 2.69Å
380	E	98.1	Very high	97	Very high	72 Å²	72	48.5 Å²	48.5	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-46.8	174.5	173.1	165	-144.9	0	0	110.7	H301 R377 K378 V382 C383 R384	H301-E380 IonicContact CE1-OE1 3.58Å; H301-E380 IonicContact NE2-OE1 3.87Å; R377-E380 HydrophobicContact CB-CB 4.13Å; R377-E380 WeakPolarHBondContact O-CB 3.15Å; R377-E380 PolarHBondContact O-N 3.36Å; R377-E380 VanDerWaalsContact O-N 3.13Å; K378-E380 PolarHBondContact O-N 3.41Å; E380-V382 PolarHBondContact O-N 2.92Å; E380-C383 PolarHBondContact O-N 3.19Å; E380-R384 HydrophobicContact CG-CG 4.47Å; E380-R384 WeakPolarHBondContact O-CB 3.12Å; E380-R384 PolarHBondContact O-N 2.94Å; E380-R384 VanDerWaalsContact O-N 3.08Å; E380-R384 IonicContact OE1-CZ 2.81Å; E380-R384 IonicContact OE1-NE 3.59Å; E380-R384 PolarHBondContact OE1-NE 3.33Å; E380-R384 IonicContact OE1-NH2 2.69Å; E380-R384 PolarHBondContact OE1-NH2 3.06Å; E380-R384 VanDerWaalsContact OE1-NH2 3.08Å
381	R	98.2	Very high	97.3	Very high	19 Å²	19	50.1 Å²	50.1	7%	0.072	27%	0.265	C	S	.	.	H	α-helix	trans	-54.4	-52.6	178.3	-174.8	179.5	171.5	-177.9	2.5	111.1	M300 H376 R377 K378 R384 Q385 V399	M300-R381 HydrophobicContact CE-CB 4.39Å; M300-R381 HydrophobicContact CE-CG 4.31Å; M300-R381 HydrophobicContact SD-CG 4.11Å; H376-R381 PolarHBondContact CE1-NH1 3.09Å; H376-R381 VanDerWaalsContact CE1-NH1 3.26Å; H376-R381 WeakPolarHBondContact NE2-CD 3.13Å; H376-R381 PolarHBondContact NE2-NH1 3.01Å; R377-R381 PolarHBondContact O-N 2.99Å; K378-R381 WeakPolarHBondContact O-CB 3.46Å; K378-R381 PolarHBondContact O-N 3.01Å; R381-R384 PolarHBondContact O-N 3.07Å; R381-Q385 VanDerWaalsContact NE-OE1 3.13Å; R381-Q385 WeakPolarHBondContact O-CB 3.17Å; R381-Q385 PolarHBondContact O-N 2.94Å; R381-V399 HydrophobicContact CG-CG1 4.42Å
382	V	98.4	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-41.5	-173.6	-61.6	0	0	0	0	111.9	K378 D379 E380 R384 F386 T388 N389 V396 V399 L400	K378-V382 WeakPolarHBondContact O-CG1 3.35Å; K378-V382 WeakPolarHBondContact O-CG2 3.43Å; K378-V382 PolarHBondContact O-N 3.13Å; D379-V382 WeakPolarHBondContact O-CG2 3.2Å; E380-V382 PolarHBondContact O-N 2.92Å; V382-R384 PolarHBondContact O-N 2.81Å; V382-F386 HydrophobicContact CB-CD2 4.09Å; V382-F386 HydrophobicContact CG1-CD2 4.36Å; V382-F386 HydrophobicContact CG1-CE2 4.3Å; V382-F386 WeakPolarHBondContact O-CB 2.94Å; V382-F386 WeakPolarHBondContact O-CD2 3.31Å; V382-F386 PolarHBondContact O-N 2.75Å; V382-T388 CarbonylContact C-O 3.58Å; V382-N389 HydrophobicContact CG2-CB 3.66Å; V382-V396 HydrophobicContact CB-CG1 4.17Å; V382-V396 HydrophobicContact CB-CG2 4.29Å; V382-V396 HydrophobicContact CG1-CG1 4.06Å; V382-V396 HydrophobicContact CG1-CG2 4.45Å; V382-V396 HydrophobicContact CG2-CG1 4.49Å; V382-V399 HydrophobicContact CG1-CB 3.78Å; V382-V399 HydrophobicContact CG1-CG1 3.51Å; V382-L400 HydrophobicContact CG1-CD2 4.28Å; V382-L400 HydrophobicContact CG1-CG 4.41Å; V382-L400 HydrophobicContact CG2-CD2 4.36Å
383	C	98.2	Very high	97.6	Very high	59 Å²	59	55.3 Å²	55.3	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-41.9	179.8	-69.3	0	0	0	0	112.3	D379 E380 G387	D379-C383 WeakPolarHBondContact O-CB 3.41Å; D379-C383 PolarHBondContact O-N 3.21Å; D379-C383 VanDerWaalsContact O-N 3.13Å; D379-C383 PolarHBondContact O-SG 2.69Å; E380-C383 PolarHBondContact O-N 3.19Å; C383-G387 WeakPolarHBondContact O-CA 3.14Å; C383-G387 PolarHBondContact O-N 3.48Å
384	R	97.7	Very high	97.6	Very high	121 Å²	121	54.5 Å²	54.5	46%	0.457	28%	0.278	S	S	.	.	H	α-helix	trans	-76.9	-40.9	179.6	-71.8	-177.7	-174.2	-69.6	-5.5	112.6	M300 H301 E380 R381 V382	M300-R384 HydrophobicContact CE-CB 3.33Å; M300-R384 HydrophobicContact CE-CG 4.09Å; H301-R384 PolarHBondContact CE1-NH2 2.59Å; E380-R384 HydrophobicContact CG-CG 4.47Å; E380-R384 WeakPolarHBondContact O-CB 3.12Å; E380-R384 PolarHBondContact O-N 2.94Å; E380-R384 VanDerWaalsContact O-N 3.08Å; E380-R384 IonicContact OE1-CZ 2.81Å; E380-R384 IonicContact OE1-NE 3.59Å; E380-R384 PolarHBondContact OE1-NE 3.33Å; E380-R384 IonicContact OE1-NH2 2.69Å; E380-R384 PolarHBondContact OE1-NH2 3.06Å; E380-R384 VanDerWaalsContact OE1-NH2 3.08Å; R381-R384 PolarHBondContact O-N 3.07Å; V382-R384 PolarHBondContact O-N 2.81Å
385	Q	98	Very high	97.7	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-75.3	-41.3	-175.2	-173	173.5	-3.8	0	0	112.2	I336 R381 M525 T530	I336-Q385 HydrophobicContact CD1-CG 4.2Å; R381-Q385 VanDerWaalsContact NE-OE1 3.13Å; R381-Q385 WeakPolarHBondContact O-CB 3.17Å; R381-Q385 PolarHBondContact O-N 2.94Å; Q385-M525 PolarHBondContact NE2-SD 2.8Å; Q385-M525 VanDerWaalsContact NE2-SD 3.4Å; Q385-T530 WeakPolarHBondContact O-CB 3.39Å; Q385-T530 PolarHBondContact O-OG1 3.27Å
386	F	98.1	Very high	97.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-111.2	-9.4	-173.3	-53.2	-86	0	0	0	113.9	V382 T388 H393 A395 V396 V399 M525 A527 Y566	V382-F386 HydrophobicContact CB-CD2 4.09Å; V382-F386 HydrophobicContact CG1-CD2 4.36Å; V382-F386 HydrophobicContact CG1-CE2 4.3Å; V382-F386 WeakPolarHBondContact O-CB 2.94Å; V382-F386 WeakPolarHBondContact O-CD2 3.31Å; V382-F386 PolarHBondContact O-N 2.75Å; F386-T388 HydrophobicContact CB-CG2 4.12Å; F386-T388 PolarHBondContact O-N 3.37Å; F386-H393 AromaticContact CD1-CE1 3.49Å; F386-H393 VanDerWaalsContact CD1-CE1 3.49Å; F386-H393 WeakPolarHBondContact CD1-CE1 3.36Å; F386-H393 AromaticContact CE1-CE1 3.82Å; F386-A395 HydrophobicContact CE1-CB 3.63Å; F386-A395 HydrophobicContact CZ-CB 3.85Å; F386-V396 HydrophobicContact CB-CG2 3.99Å; F386-V396 HydrophobicContact CD1-CG2 4.29Å; F386-V396 HydrophobicContact CD2-CG2 3.62Å; F386-V396 HydrophobicContact CE2-CG2 4.15Å; F386-V396 HydrophobicContact CG-CG2 3.71Å; F386-V399 HydrophobicContact CE2-CG2 4.29Å; F386-V399 HydrophobicContact CZ-CG2 4.49Å; F386-M525 HydrophobicContact CE1-CB 4Å; F386-M525 WeakPolarHBondContact CE1-O 3.34Å; F386-A527 HydrophobicContact CD1-CB 3.64Å; F386-A527 HydrophobicContact CE1-CB 3.96Å; F386-Y566 VanDerWaalsContact O-CE1 3.26Å; F386-Y566 WeakPolarHBondContact O-CE1 3.46Å; F386-Y566 PolarHBondContact O-OH 3.16Å; F386-Y566 VanDerWaalsContact O-OH 3.09Å
387	G	96.4	Very high	97.7	Very high	66 Å²	66	50.9 Å²	50.9	68%	0.68	26%	0.264	S	S	*	.	S	Bend	trans	66.6	12.3	-173.3	0	0	0	0	0	114	C383	C383-G387 WeakPolarHBondContact O-CA 3.14Å; C383-G387 PolarHBondContact O-N 3.48Å
388	T	96.7	Very high	97.7	Very high	26 Å²	26	47.3 Å²	47.3	16%	0.16	25%	0.254	C	S	.	.			trans	-154.6	152.8	178.8	-174.6	0	0	0	0	110.2	V382 F386 D390 V396 L565	V382-T388 CarbonylContact C-O 3.58Å; F386-T388 HydrophobicContact CB-CG2 4.12Å; F386-T388 PolarHBondContact O-N 3.37Å; T388-D390 PolarHBondContact OG1-N 3.39Å; T388-V396 HydrophobicContact CG2-CG2 4.37Å; T388-L565 HydrophobicContact CG2-CD1 4.41Å; T388-L565 HydrophobicContact CG2-CD2 3.85Å
389	N	96.8	Very high	97.7	Very high	87 Å²	87	46.1 Å²	46.1	47%	0.465	25%	0.249	S	C	.	.			trans	-116.3	16.7	170.9	66.8	-15.2	0	0	0	112.3	V382 P391	V382-N389 HydrophobicContact CG2-CB 3.66Å; N389-P391 WeakPolarHBondContact O-CD 3.21Å
390	D	97.4	Very high	97.7	Very high	33 Å²	33	43.3 Å²	43.3	18%	0.176	23%	0.234	C	C	.	.			trans	-68.8	115.1	179	-169.8	-30.7	0	0	0	110.7	T388 R392 H393 V396 P559	T388-D390 PolarHBondContact OG1-N 3.39Å; D390-R392 PolarHBondContact O-N 3.22Å; D390-R392 VanDerWaalsContact OD1-CB 3.28Å; D390-R392 WeakPolarHBondContact OD1-CB 3.35Å; D390-R392 WeakPolarHBondContact OD1-CG 3.44Å; D390-R392 IonicContact OD1-CZ 2.71Å; D390-R392 PolarHBondContact OD1-N 3.02Å; D390-R392 IonicContact OD1-NE 3.19Å; D390-R392 PolarHBondContact OD1-NE 2.93Å; D390-R392 IonicContact OD1-NH2 3.61Å; D390-R392 IonicContact OD2-CZ 3.37Å; D390-R392 IonicContact OD2-NE 3.94Å; D390-R392 PolarHBondContact OD2-NE 3.11Å; D390-R392 IonicContact OD2-NH2 2.77Å; D390-R392 PolarHBondContact OD2-NH2 2.68Å; D390-H393 WeakPolarHBondContact O-CB 3.35Å; D390-H393 PolarHBondContact O-N 3.48Å; D390-V396 WeakPolarHBondContact O-CG1 3.48Å; D390-P559 HydrophobicContact CB-CG 4.39Å
391	P	97.6	Very high	97.7	Very high	82 Å²	82	47.5 Å²	47.5	53%	0.532	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.9	-176.4	28.6	-36.1	0	0	0	113.3	N389 A397 L400	N389-P391 WeakPolarHBondContact O-CD 3.21Å; P391-A397 WeakPolarHBondContact O-CB 3.39Å; P391-L400 HydrophobicContact CB-CD1 4.12Å
392	R	97.4	Very high	97.7	Very high	162 Å²	162	48 Å²	48	61%	0.611	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.6	171.3	-62.7	173.2	-66.7	174	2.1	112.7	D390 P559	D390-R392 PolarHBondContact O-N 3.22Å; D390-R392 VanDerWaalsContact OD1-CB 3.28Å; D390-R392 WeakPolarHBondContact OD1-CB 3.35Å; D390-R392 WeakPolarHBondContact OD1-CG 3.44Å; D390-R392 IonicContact OD1-CZ 2.71Å; D390-R392 PolarHBondContact OD1-N 3.02Å; D390-R392 IonicContact OD1-NE 3.19Å; D390-R392 PolarHBondContact OD1-NE 2.93Å; D390-R392 IonicContact OD1-NH2 3.61Å; D390-R392 IonicContact OD2-CZ 3.37Å; D390-R392 IonicContact OD2-NE 3.94Å; D390-R392 PolarHBondContact OD2-NE 3.11Å; D390-R392 IonicContact OD2-NH2 2.77Å; D390-R392 PolarHBondContact OD2-NH2 2.68Å; R392-P559 HydrophobicContact CB-CB 3.59Å; R392-P559 HydrophobicContact CB-CG 4.03Å; R392-P559 PolarHBondContact NH2-O 2.79Å
393	H	97.8	Very high	97.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.267	C	S	.	.	S	Bend	trans	-75.7	122.2	167.3	-179.3	-75.4	0	0	0	108.9	F386 D390 A395 V396 A397 M525 Y526 P559	F386-H393 AromaticContact CD1-CE1 3.49Å; F386-H393 VanDerWaalsContact CD1-CE1 3.49Å; F386-H393 WeakPolarHBondContact CD1-CE1 3.36Å; F386-H393 AromaticContact CE1-CE1 3.82Å; D390-H393 WeakPolarHBondContact O-CB 3.35Å; D390-H393 PolarHBondContact O-N 3.48Å; H393-A395 PolarHBondContact O-N 3.2Å; H393-V396 HydrophobicContact CB-CB 3.96Å; H393-V396 HydrophobicContact CB-CG2 3.91Å; H393-V396 PolarHBondContact ND1-N 2.83Å; H393-V396 WeakPolarHBondContact O-CA 3.32Å; H393-V396 WeakPolarHBondContact O-CB 3.42Å; H393-V396 PolarHBondContact O-N 3.27Å; H393-A397 PolarHBondContact O-N 2.85Å; H393-M525 PolarHBondContact CE1-O 2.87Å; H393-Y526 PolarHBondContact NE2-O 3.47Å; H393-Y526 VanDerWaalsContact NE2-O 3.09Å; H393-P559 HydrophobicContact CB-CG 4.46Å
394	P	97.1	Very high	97.7	Very high	32 Å²	32	49 Å²	49	21%	0.208	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-32	-159.8	31.4	-39.4	0	0	0	113.3	A397 Q398 W486 K488 Y526 I556	P394-A397 WeakPolarHBondContact O-CB 3.19Å; P394-Q398 WeakPolarHBondContact O-CG 3.25Å; P394-Q398 PolarHBondContact O-N 3.13Å; P394-W486 HydrophobicContact CB-CH2 3.88Å; P394-W486 HydrophobicContact CB-CZ2 4.47Å; P394-W486 HydrophobicContact CG-CH2 4.2Å; P394-K488 HydrophobicContact CB-CB 4.45Å; P394-K488 HydrophobicContact CG-CB 4.1Å; P394-K488 HydrophobicContact CG-CD 4.42Å; P394-Y526 HydrophobicContact CG-CD2 4.13Å; P394-Y526 HydrophobicContact CG-CE2 4.42Å; P394-I556 HydrophobicContact CG-CD1 4.1Å
395	A	97.4	Very high	97.7	Very high	3 Å²	3	46 Å²	46	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-77.1	-22.9	172.1	0	0	0	0	0	113.4	F386 H393 V399 M525	F386-A395 HydrophobicContact CE1-CB 3.63Å; F386-A395 HydrophobicContact CZ-CB 3.85Å; H393-A395 PolarHBondContact O-N 3.2Å; A395-V399 WeakPolarHBondContact O-CG2 3.44Å; A395-V399 PolarHBondContact O-N 3.29Å; A395-V399 VanDerWaalsContact O-N 3.16Å; A395-M525 HydrophobicContact CB-CB 4.27Å; A395-M525 WeakPolarHBondContact CB-O 3.46Å
396	V	98.4	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.8	-44	173.3	167.6	0	0	0	0	108.6	V382 F386 T388 D390 H393 Q398 V399 L400	V382-V396 HydrophobicContact CB-CG1 4.17Å; V382-V396 HydrophobicContact CB-CG2 4.29Å; V382-V396 HydrophobicContact CG1-CG1 4.06Å; V382-V396 HydrophobicContact CG1-CG2 4.45Å; V382-V396 HydrophobicContact CG2-CG1 4.49Å; F386-V396 HydrophobicContact CB-CG2 3.99Å; F386-V396 HydrophobicContact CD1-CG2 4.29Å; F386-V396 HydrophobicContact CD2-CG2 3.62Å; F386-V396 HydrophobicContact CE2-CG2 4.15Å; F386-V396 HydrophobicContact CG-CG2 3.71Å; T388-V396 HydrophobicContact CG2-CG2 4.37Å; D390-V396 WeakPolarHBondContact O-CG1 3.48Å; H393-V396 HydrophobicContact CB-CB 3.96Å; H393-V396 HydrophobicContact CB-CG2 3.91Å; H393-V396 PolarHBondContact ND1-N 2.83Å; H393-V396 WeakPolarHBondContact O-CA 3.32Å; H393-V396 WeakPolarHBondContact O-CB 3.42Å; H393-V396 PolarHBondContact O-N 3.27Å; V396-Q398 VanDerWaalsContact C-N 3.33Å; V396-Q398 PolarHBondContact O-N 3.47Å; V396-V399 PolarHBondContact O-N 2.93Å; V396-L400 HydrophobicContact CG1-CD1 3.73Å; V396-L400 HydrophobicContact CG1-CG 4.12Å; V396-L400 VanDerWaalsContact O-CG 3.31Å; V396-L400 WeakPolarHBondContact O-CG 3.36Å; V396-L400 PolarHBondContact O-N 3.45Å
397	A	98.2	Very high	97.8	Very high	16 Å²	16	45.7 Å²	45.7	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-51.7	-51.9	172.1	0	0	0	0	0	111.4	P391 H393 P394 V399 L400 E401	P391-A397 WeakPolarHBondContact O-CB 3.39Å; H393-A397 PolarHBondContact O-N 2.85Å; P394-A397 WeakPolarHBondContact O-CB 3.19Å; A397-V399 VanDerWaalsContact C-N 3.32Å; A397-V399 PolarHBondContact O-N 3.16Å; A397-L400 PolarHBondContact O-N 2.8Å; A397-L400 VanDerWaalsContact O-N 3.16Å; A397-E401 VanDerWaalsContact O-CB 3.32Å; A397-E401 WeakPolarHBondContact O-CB 3.28Å; A397-E401 VanDerWaalsContact O-CG 3.29Å; A397-E401 WeakPolarHBondContact O-CG 3.45Å; A397-E401 PolarHBondContact O-N 2.94Å
398	Q	98	Very high	97.8	Very high	65 Å²	65	42.6 Å²	42.6	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-56.1	-43.9	178.1	-73.9	-179.7	-0.4	0	0	112.9	P394 V396 S402	P394-Q398 WeakPolarHBondContact O-CG 3.25Å; P394-Q398 PolarHBondContact O-N 3.13Å; V396-Q398 VanDerWaalsContact C-N 3.33Å; V396-Q398 PolarHBondContact O-N 3.47Å; Q398-S402 VanDerWaalsContact O-CB 3.28Å; Q398-S402 WeakPolarHBondContact O-CB 3.16Å; Q398-S402 PolarHBondContact O-N 2.71Å
399	V	98.3	Very high	97.7	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-47.6	177.3	171.9	0	0	0	0	110.8	K378 R381 V382 F386 A395 V396 A397 E401 S402	K378-V399 HydrophobicContact CB-CG1 4.43Å; K378-V399 WeakPolarHBondContact CD-O 3.4Å; K378-V399 HydrophobicContact CG-CG1 4.21Å; R381-V399 HydrophobicContact CG-CG1 4.42Å; V382-V399 HydrophobicContact CG1-CB 3.78Å; V382-V399 HydrophobicContact CG1-CG1 3.51Å; F386-V399 HydrophobicContact CE2-CG2 4.29Å; F386-V399 HydrophobicContact CZ-CG2 4.49Å; A395-V399 WeakPolarHBondContact O-CG2 3.44Å; A395-V399 PolarHBondContact O-N 3.29Å; A395-V399 VanDerWaalsContact O-N 3.16Å; V396-V399 PolarHBondContact O-N 2.93Å; A397-V399 VanDerWaalsContact C-N 3.32Å; A397-V399 PolarHBondContact O-N 3.16Å; V399-E401 VanDerWaalsContact C-N 3.32Å; V399-E401 PolarHBondContact O-N 3.41Å; V399-S402 WeakPolarHBondContact O-CB 3.49Å; V399-S402 PolarHBondContact O-N 2.85Å; V399-S402 PolarHBondContact O-OG 2.76Å
400	L	98.4	Very high	97.7	Very high	48 Å²	48	38.9 Å²	38.9	25%	0.251	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-38.6	-178.3	-67.5	178.2	0	0	0	112.4	K378 V382 P391 V396 A397	K378-L400 HydrophobicContact CB-CD2 4.22Å; K378-L400 PolarHBondContact NZ-O 2.68Å; V382-L400 HydrophobicContact CG1-CD2 4.28Å; V382-L400 HydrophobicContact CG1-CG 4.41Å; V382-L400 HydrophobicContact CG2-CD2 4.36Å; P391-L400 HydrophobicContact CB-CD1 4.12Å; V396-L400 HydrophobicContact CG1-CD1 3.73Å; V396-L400 HydrophobicContact CG1-CG 4.12Å; V396-L400 VanDerWaalsContact O-CG 3.31Å; V396-L400 WeakPolarHBondContact O-CG 3.36Å; V396-L400 PolarHBondContact O-N 3.45Å; A397-L400 PolarHBondContact O-N 2.8Å; A397-L400 VanDerWaalsContact O-N 3.16Å
401	E	97.9	Very high	97.7	Very high	160 Å²	160	37.8 Å²	37.8	75%	0.748	19%	0.194	S	C	*	.	H	α-helix	trans	-78	-18.3	178.3	-69	169.8	-173.2	0	0	113.5	A397 V399	A397-E401 VanDerWaalsContact O-CB 3.32Å; A397-E401 WeakPolarHBondContact O-CB 3.28Å; A397-E401 VanDerWaalsContact O-CG 3.29Å; A397-E401 WeakPolarHBondContact O-CG 3.45Å; A397-E401 PolarHBondContact O-N 2.94Å; V399-E401 VanDerWaalsContact C-N 3.32Å; V399-E401 PolarHBondContact O-N 3.41Å
402	S	97.8	Very high	97.8	Very high	29 Å²	29	35.2 Å²	35.2	20%	0.203	18%	0.179	C	C	.	.	S	Bend	trans	-70.9	173.4	179.2	75.1	0	0	0	0	113.5	H376 K378 Q398 V399	H376-S402 PolarHBondContact CE1-OG 3.46Å; H376-S402 VanDerWaalsContact CE1-OG 3.27Å; K378-S402 PolarHBondContact NZ-O 3.43Å; Q398-S402 VanDerWaalsContact O-CB 3.28Å; Q398-S402 WeakPolarHBondContact O-CB 3.16Å; Q398-S402 PolarHBondContact O-N 2.71Å; V399-S402 WeakPolarHBondContact O-CB 3.49Å; V399-S402 PolarHBondContact O-N 2.85Å; V399-S402 PolarHBondContact O-OG 2.76Å
403	G	98	Very high	97.8	Very high	15 Å²	15	27.5 Å²	27.5	16%	0.155	15%	0.15	C	C	.	.			trans	-55.4	154	-180	0	0	0	0	0	115	I342 H376 W405	I342-G403 CarbonylContact O-C 3.59Å; I342-G403 WeakPolarHBondContact O-CA 3.32Å; H376-G403 PolarHBondContact ND1-O 2.91Å; G403-W405 VanDerWaalsContact C-N 3.25Å; G403-W405 PolarHBondContact O-N 3.45Å
404	N	98.5	Very high	97.8	Very high	67 Å²	67	27.9 Å²	27.9	36%	0.358	15%	0.152	S	C	.	.	S	Bend	trans	-80.8	-3	-178.5	-63.8	-38.3	0	0	0	113.6	I342 D344 H376 K378	I342-N404 PolarHBondContact O-N 3.31Å; D344-N404 PolarHBondContact OD2-ND2 2.68Å; H376-N404 VanDerWaalsContact CB-C 3.45Å; H376-N404 WeakPolarHBondContact CB-O 3.4Å; H376-N404 PolarHBondContact N-O 3.01Å; K378-N404 VanDerWaalsContact CE-OD1 3.24Å; K378-N404 WeakPolarHBondContact CE-OD1 2.9Å; K378-N404 PolarHBondContact NZ-OD1 3.29Å
405	W	98.6	Very high	97.8	Very high	57 Å²	57	29 Å²	29	22%	0.216	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.5	-178.1	-56.6	91.3	0	0	0	110.1	P341 I342 D344 K347 I373 F374 E375 G403	P341-W405 CarbonylContact C-O 3.53Å; P341-W405 VanDerWaalsContact CA-O 3.3Å; P341-W405 WeakPolarHBondContact CA-O 3.12Å; I342-W405 HydrophobicContact CD1-CB 4.38Å; I342-W405 HydrophobicContact CG1-CB 3.75Å; I342-W405 PolarHBondContact N-O 2.84Å; I342-W405 PolarHBondContact O-N 3.31Å; D344-W405 PolarHBondContact OD1-NE1 3.26Å; K347-W405 HydrophobicContact CB-CG 4.36Å; K347-W405 HydrophobicContact CD-CB 4.38Å; K347-W405 HydrophobicContact CD-CD2 3.2Å; K347-W405 HydrophobicContact CD-CE3 3.62Å; K347-W405 HydrophobicContact CD-CG 3.53Å; K347-W405 HydrophobicContact CD-CH2 4.12Å; K347-W405 HydrophobicContact CD-CZ2 3.74Å; K347-W405 HydrophobicContact CD-CZ3 4.06Å; I373-W405 HydrophobicContact CG2-CB 3.94Å; I373-W405 HydrophobicContact CG2-CD2 4.42Å; I373-W405 HydrophobicContact CG2-CE3 4.06Å; I373-W405 HydrophobicContact CG2-CG 4.39Å; F374-W405 WeakPolarHBondContact O-CA 3.48Å; E375-W405 HydrophobicContact CB-CE3 4.43Å; E375-W405 HydrophobicContact CB-CZ3 4.25Å; G403-W405 VanDerWaalsContact C-N 3.25Å; G403-W405 PolarHBondContact O-N 3.45Å
406	L	98.6	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.7	172.2	-64.1	-178.4	0	0	0	109.4	Y296 V339 L340 P341 I373 F374 H376	Y296-L406 HydrophobicContact CD2-CD1 4.17Å; Y296-L406 HydrophobicContact CE2-CD1 4.06Å; V339-L406 HydrophobicContact CB-CD1 3.97Å; V339-L406 HydrophobicContact CB-CD2 3.91Å; V339-L406 HydrophobicContact CB-CG 4.39Å; V339-L406 HydrophobicContact CG1-CD1 3.91Å; V339-L406 HydrophobicContact CG2-CD1 4.1Å; V339-L406 HydrophobicContact CG2-CD2 3.79Å; L340-L406 WeakPolarHBondContact O-CA 3.45Å; P341-L406 HydrophobicContact CB-CD2 4.2Å; P341-L406 HydrophobicContact CG-CD2 4.07Å; I373-L406 WeakPolarHBondContact CA-O 3.49Å; F374-L406 HydrophobicContact CD1-CB 4.37Å; F374-L406 HydrophobicContact CD2-CB 4.39Å; F374-L406 HydrophobicContact CE1-CB 3.87Å; F374-L406 HydrophobicContact CE2-CB 3.91Å; F374-L406 HydrophobicContact CE2-CD1 3.62Å; F374-L406 HydrophobicContact CE2-CG 4.27Å; F374-L406 HydrophobicContact CZ-CB 3.63Å; F374-L406 HydrophobicContact CZ-CD1 3.75Å; F374-L406 HydrophobicContact CZ-CG 4.31Å; F374-L406 PolarHBondContact N-O 3.36Å; F374-L406 VanDerWaalsContact N-O 3.15Å; F374-L406 PolarHBondContact O-N 2.86Å; H376-L406 HydrophobicContact CB-CD1 4.49Å; H376-L406 HydrophobicContact CB-CD2 4.04Å; H376-L406 HydrophobicContact CB-CG 3.78Å
407	L	98.2	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.4	175.7	176.6	61.1	0	0	0	109.6	V266 F290 L340 I342 L350 I356 L368 P371 E372 I373	V266-L407 HydrophobicContact CG2-CD2 4.05Å; F290-L407 WeakPolarHBondContact CB-O 3.18Å; L340-L407 HydrophobicContact CB-CB 4.5Å; L340-L407 HydrophobicContact CD2-CB 4.45Å; L340-L407 HydrophobicContact CD2-CD2 4.08Å; L340-L407 PolarHBondContact O-N 2.63Å; I342-L407 HydrophobicContact CD1-CB 4.21Å; I342-L407 HydrophobicContact CG2-CB 4.04Å; I342-L407 HydrophobicContact CG2-CD2 4.34Å; L350-L407 HydrophobicContact CD1-CD2 4.3Å; I356-L407 HydrophobicContact CD1-CD1 4Å; I356-L407 HydrophobicContact CD1-CD2 3.92Å; L368-L407 HydrophobicContact CD1-CD2 4.13Å; L368-L407 HydrophobicContact CD1-CG 3.92Å; L368-L407 HydrophobicContact CD2-CD1 4.25Å; L368-L407 HydrophobicContact CD2-CG 4.49Å; P371-L407 HydrophobicContact CB-CD1 3.67Å; E372-L407 WeakPolarHBondContact O-CA 3.5Å; I373-L407 HydrophobicContact CD1-CD1 4.35Å; I373-L407 HydrophobicContact CG1-CD1 3.74Å
408	G	96.7	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	157	171.3	0	0	0	0	0	111.6	F290 M291 P371 E372	F290-G408 VanDerWaalsContact O-CA 3.3Å; F290-G408 WeakPolarHBondContact O-CA 3.26Å; M291-G408 WeakPolarHBondContact O-CA 3.41Å; P371-G408 WeakPolarHBondContact CA-O 3.32Å; E372-G408 PolarHBondContact N-O 2.92Å; E372-G408 PolarHBondContact O-N 3.22Å
409	G	95.3	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	166.7	178.4	0	0	0	0	0	114	G289 F290	G289-G409 WeakPolarHBondContact CA-O 3.28Å; F290-G409 PolarHBondContact O-N 3.01Å; F290-G409 VanDerWaalsContact O-N 3.11Å
410	D	95.7	Very high	97.2	Very high	34 Å²	34	41.5 Å²	41.5	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.9	174	-62.2	-40.1	0	0	0	109.1	S288 R292 K311 L368 S369	S288-D410 VanDerWaalsContact CB-OD1 3.23Å; S288-D410 WeakPolarHBondContact CB-OD1 3.37Å; S288-D410 PolarHBondContact OG-OD1 3.25Å; R292-D410 IonicContact NH2-OD2 3.48Å; K311-D410 IonicContact NZ-OD2 2.95Å; K311-D410 PolarHBondContact NZ-OD2 3.46Å; L368-D410 CarbonylContact C-O 3.52Å; L368-D410 VanDerWaalsContact CA-O 3.31Å; L368-D410 WeakPolarHBondContact CA-O 3.38Å; S369-D410 PolarHBondContact N-O 3.28Å; S369-D410 PolarHBondContact O-N 3.47Å
411	V	98.2	Very high	97.1	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	-173.1	171.8	0	0	0	0	110	L245 L276 S288 F290 A366 L368 V413	L245-V411 HydrophobicContact CD1-CB 4.24Å; L276-V411 HydrophobicContact CD1-CG1 3.65Å; S288-V411 PolarHBondContact O-N 3.34Å; F290-V411 HydrophobicContact CD2-CG2 4.25Å; A366-V411 HydrophobicContact CB-CG1 3.74Å; L368-V411 HydrophobicContact CB-CG2 4.37Å; L368-V411 HydrophobicContact CD1-CG2 4.28Å; L368-V411 HydrophobicContact CG-CG2 4.3Å; V411-V413 HydrophobicContact CG1-CG2 3.69Å
412	A	98.4	Very high	97	Very high	27 Å²	27	37.9 Å²	37.9	22%	0.223	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.7	168.9	0	0	0	0	0	108.9	V247 L256 A366 I367	V247-A412 HydrophobicContact CG2-CB 3.84Å; L256-A412 HydrophobicContact CD1-CB 4.37Å; A366-A412 CarbonylContact C-O 3.59Å; A366-A412 WeakPolarHBondContact CA-O 3.32Å; A366-A412 WeakPolarHBondContact CB-O 3.49Å; I367-A412 PolarHBondContact N-O 2.96Å; I367-A412 PolarHBondContact O-N 2.85Å
413	V	98.7	Very high	97	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.4	-177.2	-176.4	0	0	0	0	109.5	L245 F246 V247 L276 A280 Y365 A366 V411 Q415	L245-V413 HydrophobicContact CB-CG2 4.27Å; L245-V413 PolarHBondContact O-N 3.22Å; F246-V413 WeakPolarHBondContact CA-O 3.37Å; F246-V413 HydrophobicContact CD1-CB 3.88Å; F246-V413 HydrophobicContact CD1-CG1 3.66Å; F246-V413 HydrophobicContact CE1-CB 4.26Å; F246-V413 HydrophobicContact CE1-CG1 3.67Å; V247-V413 PolarHBondContact N-O 3.41Å; L276-V413 HydrophobicContact CD1-CG2 4.06Å; A280-V413 HydrophobicContact CB-CB 4.23Å; A280-V413 HydrophobicContact CB-CG1 4.22Å; A280-V413 HydrophobicContact CB-CG2 3.71Å; Y365-V413 WeakPolarHBondContact O-CG1 3.16Å; A366-V413 HydrophobicContact CB-CB 4.43Å; A366-V413 HydrophobicContact CB-CG2 4.01Å; V411-V413 HydrophobicContact CG1-CG2 3.69Å; V413-Q415 WeakPolarHBondContact CG1-O 3.38Å
414	V	98.2	Very high	97	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.048	21%	0.208	C	C	.	.			trans	-91	-5	-170.5	-64.8	0	0	0	0	113.4	V247 V253 L256 L257 V364 Y365	V247-V414 HydrophobicContact CG2-CG1 4.44Å; V253-V414 HydrophobicContact CG1-CB 4.25Å; V253-V414 WeakPolarHBondContact CG1-O 3.38Å; L256-V414 HydrophobicContact CB-CG1 3.82Å; L256-V414 HydrophobicContact CD1-CG1 3.74Å; L256-V414 HydrophobicContact CG-CG1 4.45Å; L257-V414 HydrophobicContact CD2-CG2 3.88Å; L257-V414 HydrophobicContact CG-CG2 4.4Å; V364-V414 HydrophobicContact CG1-CG2 4.35Å; Y365-V414 WeakPolarHBondContact O-CG2 3.38Å; Y365-V414 PolarHBondContact O-N 3.4Å
415	Q	95.3	Very high	96.9	Very high	57 Å²	57	41.5 Å²	41.5	27%	0.266	22%	0.219	S	C	.	.	S	Bend	trans	-158.4	152.2	175.9	61.3	-173.5	-55.5	0	0	112.4	V364 Y365 V413 I417	V364-Q415 PolarHBondContact O-NE2 2.8Å; Y365-Q415 HydrophobicContact CD1-CG 3.78Å; Y365-Q415 HydrophobicContact CE1-CG 4.09Å; Y365-Q415 HydrophobicContact CG-CG 4.45Å; V413-Q415 WeakPolarHBondContact CG1-O 3.38Å; Q415-I417 PolarHBondContact O-N 3.26Å
416	K	95.1	Very high	96.9	Very high	87 Å²	87	40 Å²	40	38%	0.378	21%	0.213	S	C	.	.			trans	-60.5	134.5	173	-171	166.5	-175	164.6	0	109.9	Q418 E432	K416-Q418 PolarHBondContact O-N 2.99Å; K416-E432 IonicContact NZ-OE1 2.79Å; K416-E432 PolarHBondContact NZ-OE1 3.48Å; K416-E432 VanDerWaalsContact NZ-OE1 3.1Å; K416-E432 IonicContact NZ-OE2 3.33Å
417	I	97.3	Very high	96.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.215	C	C	.	.			trans	-79.3	116.5	178.3	-66.3	158.1	0	0	0	108.6	L273 L276 Q277 A280 Y365 Q415 F419	L273-I417 HydrophobicContact CD1-CD1 4.25Å; L273-I417 HydrophobicContact CD1-CG1 4.15Å; L273-I417 HydrophobicContact CD1-CG2 4.05Å; L273-I417 HydrophobicContact CD2-CG2 4.26Å; L273-I417 HydrophobicContact CG-CG2 3.96Å; L276-I417 HydrophobicContact CB-CD1 4.24Å; L276-I417 HydrophobicContact CD2-CD1 4.15Å; L276-I417 HydrophobicContact CG-CD1 3.89Å; Q277-I417 VanDerWaalsContact CA-CD1 3.46Å; Q277-I417 HydrophobicContact CB-CB 4.29Å; Q277-I417 HydrophobicContact CB-CD1 3.76Å; Q277-I417 HydrophobicContact CB-CG2 4.17Å; Q277-I417 HydrophobicContact CG-CB 4.28Å; Q277-I417 HydrophobicContact CG-CD1 4.4Å; Q277-I417 HydrophobicContact CG-CG2 4.4Å; A280-I417 HydrophobicContact CB-CD1 4.34Å; Y365-I417 HydrophobicContact CD1-CG1 3.73Å; Y365-I417 HydrophobicContact CE1-CG1 4.12Å; Q415-I417 PolarHBondContact O-N 3.26Å; I417-F419 HydrophobicContact CG2-CE2 4.12Å; I417-F419 HydrophobicContact CG2-CZ 4.04Å
418	Q	95.8	Very high	96.9	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	23%	0.229	S	C	.	.			trans	-125.5	136	178.2	-66.5	-176.3	-33.2	0	0	109.3	K416	K416-Q418 PolarHBondContact O-N 2.99Å
419	F	95.5	Very high	96.9	Very high	39 Å²	39	44 Å²	44	17%	0.171	23%	0.231	C	C	.	.			trans	-95.4	-11.5	179.7	-64.8	-82.3	0	0	0	113.1	L273 Q274 Q277 I417 D421 D424	L273-F419 HydrophobicContact CD2-CE1 3.92Å; L273-F419 HydrophobicContact CG-CE1 4.41Å; Q274-F419 HydrophobicContact CG-CE1 4.23Å; Q274-F419 HydrophobicContact CG-CZ 3.84Å; Q277-F419 VanDerWaalsContact OE1-CE2 3.23Å; I417-F419 HydrophobicContact CG2-CE2 4.12Å; I417-F419 HydrophobicContact CG2-CZ 4.04Å; F419-D421 HydrophobicContact CB-CB 4.44Å; F419-D421 PolarHBondContact O-N 3.18Å; F419-D424 PolarHBondContact N-OD1 3.49Å; F419-D424 PolarHBondContact N-OD2 3.21Å
420	N	95	Very high	97	Very high	131 Å²	131	44 Å²	44	70%	0.701	23%	0.231	S	C	*	.			trans	54.1	34.4	-179	-60	-54.8	0	0	0	112.7	D424	N420-D424 WeakPolarHBondContact CA-OD2 3.08Å; N420-D424 PolarHBondContact N-OD2 2.89Å
421	D	95.7	Very high	97	Very high	71 Å²	71	45 Å²	45	38%	0.38	24%	0.236	S	C	.	.	S	Bend	trans	-98.6	10.6	-178.7	63.9	-1.7	0	0	0	112.8	F419 L423 R427	F419-D421 HydrophobicContact CB-CB 4.44Å; F419-D421 PolarHBondContact O-N 3.18Å; D421-L423 PolarHBondContact O-N 3.39Å; D421-L423 VanDerWaalsContact OD1-CB 3.32Å; D421-L423 WeakPolarHBondContact OD1-CB 3.32Å; D421-L423 PolarHBondContact OD1-N 3.45Å; D421-R427 IonicContact OD1-CZ 2.69Å; D421-R427 IonicContact OD1-NH1 3.07Å; D421-R427 PolarHBondContact OD1-NH1 3.43Å; D421-R427 IonicContact OD1-NH2 2.84Å; D421-R427 IonicContact OD2-CZ 3.55Å; D421-R427 IonicContact OD2-NH1 3.41Å; D421-R427 PolarHBondContact OD2-NH1 3.49Å; D421-R427 IonicContact OD2-NH2 3.45Å; D421-R427 PolarHBondContact OD2-NH2 3.44Å
422	G	96.9	Very high	97	Very high	61 Å²	61	47.6 Å²	47.6	63%	0.629	25%	0.248	S	C	*	.	S	Bend	trans	77.6	1.1	-175.3	0	0	0	0	0	114.4
423	L	97.9	Very high	96.9	Very high	17 Å²	17	46.3 Å²	46.3	9%	0.089	24%	0.237	C	C	.	.			trans	-110.6	-2.8	-176.5	-52.9	176.9	0	0	0	113.8	D421 K425 Y426 L494 D495 I498 I519	D421-L423 PolarHBondContact O-N 3.39Å; D421-L423 VanDerWaalsContact OD1-CB 3.32Å; D421-L423 WeakPolarHBondContact OD1-CB 3.32Å; D421-L423 PolarHBondContact OD1-N 3.45Å; L423-K425 PolarHBondContact O-N 3.4Å; L423-Y426 HydrophobicContact CB-CD2 4.29Å; L423-Y426 HydrophobicContact CD2-CD2 4.27Å; L423-Y426 HydrophobicContact CD2-CE2 4.16Å; L423-Y426 WeakPolarHBondContact O-CD2 3.24Å; L423-Y426 PolarHBondContact O-N 3.33Å; L423-L494 HydrophobicContact CD1-CB 4.4Å; L423-L494 HydrophobicContact CD1-CD2 3.92Å; L423-L494 HydrophobicContact CD1-CG 3.76Å; L423-D495 HydrophobicContact CD1-CB 3.96Å; L423-I498 HydrophobicContact CD1-CG1 4.5Å; L423-I498 HydrophobicContact CD2-CB 4.22Å; L423-I498 HydrophobicContact CD2-CG1 4.41Å; L423-I498 HydrophobicContact CD2-CG2 4.12Å; L423-I519 HydrophobicContact CB-CD1 3.85Å
424	D	97.8	Very high	96.7	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.2	-27.1	-176.9	-67.2	-50.6	0	0	0	112.9	F419 N420 Y426 R427	F419-D424 PolarHBondContact N-OD1 3.49Å; F419-D424 PolarHBondContact N-OD2 3.21Å; N420-D424 WeakPolarHBondContact CA-OD2 3.08Å; N420-D424 PolarHBondContact N-OD2 2.89Å; D424-Y426 PolarHBondContact O-N 2.91Å; D424-R427 PolarHBondContact O-N 3.05Å; D424-R427 IonicContact OD1-CZ 3.48Å; D424-R427 IonicContact OD1-NE 3.28Å; D424-R427 IonicContact OD1-NH1 2.94Å; D424-R427 PolarHBondContact OD1-NH1 3.05Å
425	K	97.1	Very high	96.6	Very high	138 Å²	138	51 Å²	51	60%	0.6	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.6	174.3	66.6	176.5	-178.9	164.6	0	114.1	L423 K428	L423-K425 PolarHBondContact O-N 3.4Å; K425-K428 VanDerWaalsContact O-CE 3.3Å; K425-K428 WeakPolarHBondContact O-CE 3.23Å
426	Y	97.8	Very high	96.7	Very high	25 Å²	25	50.2 Å²	50.2	10%	0.098	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-90.7	-13	176	-54.4	-84.2	0	0	0	112.6	L423 D424 K428 I498 E502 L517 S518 I519	L423-Y426 HydrophobicContact CB-CD2 4.29Å; L423-Y426 HydrophobicContact CD2-CD2 4.27Å; L423-Y426 HydrophobicContact CD2-CE2 4.16Å; L423-Y426 WeakPolarHBondContact O-CD2 3.24Å; L423-Y426 PolarHBondContact O-N 3.33Å; D424-Y426 PolarHBondContact O-N 2.91Å; Y426-K428 PolarHBondContact O-N 3.13Å; Y426-K428 VanDerWaalsContact O-N 3.16Å; Y426-I498 HydrophobicContact CD1-CG2 4.43Å; Y426-I498 HydrophobicContact CD2-CG2 3.94Å; Y426-I498 HydrophobicContact CE1-CG2 4.13Å; Y426-I498 HydrophobicContact CE2-CG2 3.61Å; Y426-I498 HydrophobicContact CG-CG2 4.36Å; Y426-E502 PolarHBondContact OH-OE1 3.08Å; Y426-L517 HydrophobicContact CD1-CD2 4.15Å; Y426-L517 HydrophobicContact CD1-CG 4.16Å; Y426-L517 HydrophobicContact CE1-CD2 4.06Å; Y426-S518 CarbonylContact O-C 3.42Å; Y426-S518 VanDerWaalsContact O-CA 3.22Å; Y426-S518 WeakPolarHBondContact O-CA 3.49Å; Y426-S518 WeakPolarHBondContact O-CB 2.98Å; Y426-S518 PolarHBondContact O-OG 3.38Å; Y426-I519 HydrophobicContact CD2-CD1 4.5Å; Y426-I519 HydrophobicContact CG-CD1 4.49Å; Y426-I519 PolarHBondContact O-N 3.15Å
427	R	97.9	Very high	96.7	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.038	25%	0.248	C	C	.	.			trans	-81.5	94.2	177.6	-65	-179.3	177.2	92.1	8.6	108.8	D421 D424 I519	D421-R427 IonicContact OD1-CZ 2.69Å; D421-R427 IonicContact OD1-NH1 3.07Å; D421-R427 PolarHBondContact OD1-NH1 3.43Å; D421-R427 IonicContact OD1-NH2 2.84Å; D421-R427 IonicContact OD2-CZ 3.55Å; D421-R427 IonicContact OD2-NH1 3.41Å; D421-R427 PolarHBondContact OD2-NH1 3.49Å; D421-R427 IonicContact OD2-NH2 3.45Å; D421-R427 PolarHBondContact OD2-NH2 3.44Å; D424-R427 PolarHBondContact O-N 3.05Å; D424-R427 IonicContact OD1-CZ 3.48Å; D424-R427 IonicContact OD1-NE 3.28Å; D424-R427 IonicContact OD1-NH1 2.94Å; D424-R427 PolarHBondContact OD1-NH1 3.05Å; R427-I519 HydrophobicContact CG-CB 3.94Å; R427-I519 HydrophobicContact CG-CD1 4.23Å; R427-I519 HydrophobicContact CG-CG2 4.05Å
428	K	97.9	Very high	96.4	Very high	68 Å²	68	49.6 Å²	49.6	30%	0.296	27%	0.274	S	S	.	.			trans	-102.2	136.1	179.1	-59.6	-59.9	-174.3	-178.6	0	109.6	W283 K425 Y426 E432 L433 I436 S518	W283-K428 WeakPolarHBondContact CZ2-O 3.31Å; K425-K428 VanDerWaalsContact O-CE 3.3Å; K425-K428 WeakPolarHBondContact O-CE 3.23Å; Y426-K428 PolarHBondContact O-N 3.13Å; Y426-K428 VanDerWaalsContact O-N 3.16Å; K428-E432 WeakPolarHBondContact CA-OE2 3.03Å; K428-E432 HydrophobicContact CB-CB 4.18Å; K428-E432 HydrophobicContact CD-CB 4.4Å; K428-L433 HydrophobicContact CB-CD1 4.49Å; K428-L433 HydrophobicContact CB-CD2 3.81Å; K428-L433 HydrophobicContact CB-CG 3.75Å; K428-L433 HydrophobicContact CG-CD2 4.31Å; K428-I436 HydrophobicContact CD-CD1 4.45Å; K428-I436 HydrophobicContact CG-CD1 4.27Å; K428-S518 WeakPolarHBondContact CB-OG 3.39Å; K428-S518 PolarHBondContact N-OG 3.41Å
429	T	97.8	Very high	96.4	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.043	29%	0.288	C	S	.	.			trans	-69.3	162	172.7	83.5	0	0	0	0	110.2	E244 E281 N431 E432 L433	E244-T429 PolarHBondContact OE1-OG1 2.81Å; E281-T429 HydrophobicContact CB-CG2 4.16Å; E281-T429 HydrophobicContact CG-CG2 3.84Å; T429-N431 PolarHBondContact O-N 3.09Å; T429-N431 PolarHBondContact OG1-N 2.94Å; T429-E432 HydrophobicContact CG2-CG 4.43Å; T429-E432 PolarHBondContact N-OE2 2.86Å; T429-E432 PolarHBondContact O-N 2.98Å; T429-E432 PolarHBondContact OG1-N 3.36Å; T429-L433 WeakPolarHBondContact O-CG 3.4Å; T429-L433 PolarHBondContact O-N 2.85Å
430	P	97.2	Very high	96.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-51.4	-41.6	171.6	-26.4	35.7	0	0	0	113.2	V242 E281 W283 L433 R434 A541	V242-P430 HydrophobicContact CG1-CB 4.25Å; V242-P430 HydrophobicContact CG1-CG 4.34Å; V242-P430 HydrophobicContact CG2-CB 4.2Å; E281-P430 WeakPolarHBondContact O-CD 3.29Å; E281-P430 WeakPolarHBondContact O-CG 3.27Å; W283-P430 HydrophobicContact CD2-CG 3.61Å; W283-P430 HydrophobicContact CE3-CG 3.74Å; W283-P430 HydrophobicContact CG-CG 4.13Å; W283-P430 HydrophobicContact CH2-CG 4.09Å; W283-P430 HydrophobicContact CZ2-CG 3.98Å; W283-P430 HydrophobicContact CZ3-CG 3.98Å; P430-L433 PolarHBondContact O-N 3.18Å; P430-R434 VanDerWaalsContact O-CG 3.3Å; P430-R434 WeakPolarHBondContact O-CG 3.38Å; P430-R434 PolarHBondContact O-N 3.38Å; P430-A541 HydrophobicContact CB-CB 4.09Å; P430-A541 WeakPolarHBondContact CB-O 3.15Å; P430-A541 HydrophobicContact CG-CB 4.18Å
431	N	95.8	Very high	96.2	Very high	55 Å²	55	54 Å²	54	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-40.1	178.9	-73.4	-29	0	0	0	112.2	E244 T429 L433 R434 A435	E244-N431 PolarHBondContact OE2-ND2 3.14Å; T429-N431 PolarHBondContact O-N 3.09Å; T429-N431 PolarHBondContact OG1-N 2.94Å; N431-L433 VanDerWaalsContact C-N 3.31Å; N431-L433 PolarHBondContact O-N 3.03Å; N431-R434 PolarHBondContact O-N 3.45Å; N431-A435 PolarHBondContact O-N 2.87Å
432	E	97.4	Very high	95.9	Very high	66 Å²	66	52 Å²	52	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-39.3	172.8	-69.3	174.5	153.6	0	0	111.4	K416 K428 T429 A435 I436	K416-E432 IonicContact NZ-OE1 2.79Å; K416-E432 PolarHBondContact NZ-OE1 3.48Å; K416-E432 VanDerWaalsContact NZ-OE1 3.1Å; K416-E432 IonicContact NZ-OE2 3.33Å; K428-E432 WeakPolarHBondContact CA-OE2 3.03Å; K428-E432 HydrophobicContact CB-CB 4.18Å; K428-E432 HydrophobicContact CD-CB 4.4Å; T429-E432 HydrophobicContact CG2-CG 4.43Å; T429-E432 PolarHBondContact N-OE2 2.86Å; T429-E432 PolarHBondContact O-N 2.98Å; T429-E432 PolarHBondContact OG1-N 3.36Å; E432-A435 PolarHBondContact O-N 2.98Å; E432-I436 VanDerWaalsContact O-CG1 3.31Å; E432-I436 WeakPolarHBondContact O-CG1 3.39Å; E432-I436 PolarHBondContact O-N 3.2Å
433	L	97.8	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-44.7	175.5	-72.5	171	0	0	0	112.2	W283 K428 T429 P430 N431 A435 I436 F437 L479 V516 A542	W283-L433 HydrophobicContact CH2-CD1 3.58Å; W283-L433 HydrophobicContact CZ2-CD1 4.2Å; K428-L433 HydrophobicContact CB-CD1 4.49Å; K428-L433 HydrophobicContact CB-CD2 3.81Å; K428-L433 HydrophobicContact CB-CG 3.75Å; K428-L433 HydrophobicContact CG-CD2 4.31Å; T429-L433 WeakPolarHBondContact O-CG 3.4Å; T429-L433 PolarHBondContact O-N 2.85Å; P430-L433 PolarHBondContact O-N 3.18Å; N431-L433 VanDerWaalsContact C-N 3.31Å; N431-L433 PolarHBondContact O-N 3.03Å; L433-A435 VanDerWaalsContact C-N 3.27Å; L433-A435 PolarHBondContact O-N 2.94Å; L433-I436 WeakPolarHBondContact O-CB 3.34Å; L433-I436 PolarHBondContact O-N 3.22Å; L433-I436 VanDerWaalsContact O-N 3.13Å; L433-F437 HydrophobicContact CB-CE2 3.88Å; L433-F437 HydrophobicContact CB-CZ 4.24Å; L433-F437 HydrophobicContact CD2-CZ 4.36Å; L433-F437 WeakPolarHBondContact O-CD2 3.42Å; L433-F437 VanDerWaalsContact O-CG 3.24Å; L433-F437 WeakPolarHBondContact O-CG 3.44Å; L433-F437 PolarHBondContact O-N 3.19Å; L433-L479 HydrophobicContact CD1-CD1 4.32Å; L433-L479 HydrophobicContact CD1-CD2 4.21Å; L433-L479 HydrophobicContact CD2-CD1 3.92Å; L433-V516 HydrophobicContact CD2-CG1 4.14Å; L433-A542 HydrophobicContact CB-CB 4.24Å; L433-A542 HydrophobicContact CD1-CB 3.82Å
434	R	94.4	Very high	94.9	Very high	48 Å²	48	51.6 Å²	51.6	18%	0.181	27%	0.271	C	S	.	.	H	α-helix	trans	-55.7	-43.7	173.9	-73.3	173.9	-172.8	-158.6	0.3	111.3	V239 P240 V242 P430 N431 F437 A438 A541	V239-R434 VanDerWaalsContact CG1-NH2 3.26Å; P240-R434 VanDerWaalsContact O-CZ 3.31Å; P240-R434 PolarHBondContact O-NH1 2.83Å; P240-R434 PolarHBondContact O-NH2 3.14Å; V242-R434 VanDerWaalsContact CG2-CZ 3.4Å; P430-R434 VanDerWaalsContact O-CG 3.3Å; P430-R434 WeakPolarHBondContact O-CG 3.38Å; P430-R434 PolarHBondContact O-N 3.38Å; N431-R434 PolarHBondContact O-N 3.45Å; R434-F437 PolarHBondContact O-N 3.37Å; R434-A438 WeakPolarHBondContact O-CB 3.36Å; R434-A438 PolarHBondContact O-N 3.28Å; R434-A541 PolarHBondContact NE-O 2.66Å; R434-A541 PolarHBondContact NH2-O 2.84Å
435	A	95.6	Very high	94.7	Very high	61 Å²	61	50.4 Å²	50.4	50%	0.504	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.2	0	0	0	0	0	112.2	N431 E432 L433 F437 A438 E439	N431-A435 PolarHBondContact O-N 2.87Å; E432-A435 PolarHBondContact O-N 2.98Å; L433-A435 VanDerWaalsContact C-N 3.27Å; L433-A435 PolarHBondContact O-N 2.94Å; A435-F437 VanDerWaalsContact C-N 3.35Å; A435-F437 PolarHBondContact O-N 3.28Å; A435-A438 PolarHBondContact O-N 3.45Å; A435-E439 WeakPolarHBondContact O-CB 3.22Å; A435-E439 PolarHBondContact O-N 2.86Å
436	I	97.5	Very high	94.7	Very high	39 Å²	39	43.9 Å²	43.9	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-42	175.4	-69.4	163.3	0	0	0	111.4	K428 E432 L433 E439 K440 V516	K428-I436 HydrophobicContact CD-CD1 4.45Å; K428-I436 HydrophobicContact CG-CD1 4.27Å; E432-I436 VanDerWaalsContact O-CG1 3.31Å; E432-I436 WeakPolarHBondContact O-CG1 3.39Å; E432-I436 PolarHBondContact O-N 3.2Å; L433-I436 WeakPolarHBondContact O-CB 3.34Å; L433-I436 PolarHBondContact O-N 3.22Å; L433-I436 VanDerWaalsContact O-N 3.13Å; I436-E439 PolarHBondContact O-N 3.42Å; I436-K440 HydrophobicContact CG2-CD 4.25Å; I436-K440 WeakPolarHBondContact O-CB 3.42Å; I436-K440 WeakPolarHBondContact O-CG 3.38Å; I436-K440 PolarHBondContact O-N 2.89Å; I436-V516 HydrophobicContact CG2-CG1 4.14Å; I436-V516 HydrophobicContact CG2-CG2 3.88Å
437	F	95.3	Very high	94.6	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-39.2	178.5	-59.2	-39.7	0	0	0	112.1	L433 R434 A435 K440 N441 A442 V445 I477 L479 V516 A542	L433-F437 HydrophobicContact CB-CE2 3.88Å; L433-F437 HydrophobicContact CB-CZ 4.24Å; L433-F437 HydrophobicContact CD2-CZ 4.36Å; L433-F437 WeakPolarHBondContact O-CD2 3.42Å; L433-F437 VanDerWaalsContact O-CG 3.24Å; L433-F437 WeakPolarHBondContact O-CG 3.44Å; L433-F437 PolarHBondContact O-N 3.19Å; R434-F437 PolarHBondContact O-N 3.37Å; A435-F437 VanDerWaalsContact C-N 3.35Å; A435-F437 PolarHBondContact O-N 3.28Å; F437-K440 CarbonylContact O-C 3.54Å; F437-K440 PolarHBondContact O-N 2.97Å; F437-N441 PolarHBondContact O-N 3.46Å; F437-A442 HydrophobicContact CB-CB 4Å; F437-A442 WeakPolarHBondContact O-CB 3.46Å; F437-A442 PolarHBondContact O-N 3.3Å; F437-V445 HydrophobicContact CB-CG2 4.06Å; F437-V445 HydrophobicContact CD1-CG1 4.29Å; F437-V445 HydrophobicContact CD1-CG2 4.1Å; F437-V445 HydrophobicContact CD2-CG1 4.13Å; F437-V445 HydrophobicContact CD2-CG2 3.84Å; F437-V445 HydrophobicContact CE1-CG1 3.92Å; F437-V445 HydrophobicContact CE2-CG1 3.76Å; F437-V445 HydrophobicContact CE2-CG2 4.32Å; F437-V445 HydrophobicContact CG-CG1 4.41Å; F437-V445 HydrophobicContact CG-CG2 3.74Å; F437-V445 HydrophobicContact CZ-CG1 3.66Å; F437-I477 HydrophobicContact CD1-CG2 3.91Å; F437-I477 HydrophobicContact CE1-CG2 3.94Å; F437-L479 HydrophobicContact CE1-CB 4.48Å; F437-L479 HydrophobicContact CE2-CD2 4.5Å; F437-L479 HydrophobicContact CZ-CB 3.95Å; F437-L479 HydrophobicContact CZ-CD1 4.05Å; F437-L479 HydrophobicContact CZ-CD2 4.05Å; F437-L479 HydrophobicContact CZ-CG 4.17Å; F437-V516 HydrophobicContact CD1-CG2 4.35Å; F437-V516 HydrophobicContact CE1-CB 4.08Å; F437-V516 HydrophobicContact CE1-CG1 4.32Å; F437-V516 HydrophobicContact CE1-CG2 3.93Å; F437-A542 WeakPolarHBondContact CE2-O 3.39Å
438	A	90	Very high	94.2	Very high	68 Å²	68	42.8 Å²	42.8	56%	0.562	23%	0.232	S	C	*	.	H	α-helix	trans	-63.3	-46.8	173.9	0	0	0	0	0	111.6	R434 A435 K440 N441	R434-A438 WeakPolarHBondContact O-CB 3.36Å; R434-A438 PolarHBondContact O-N 3.28Å; A435-A438 PolarHBondContact O-N 3.45Å; A438-K440 VanDerWaalsContact C-N 3.26Å; A438-K440 PolarHBondContact O-N 2.71Å; A438-N441 PolarHBondContact O-N 2.61Å
439	E	95.5	Very high	93.8	Very high	161 Å²	161	40.8 Å²	40.8	75%	0.752	22%	0.224	S	C	*	.	H	α-helix	trans	-58.9	-39	176	-174.7	-175.9	174.9	0	0	111.8	A435 I436 N441	A435-E439 WeakPolarHBondContact O-CB 3.22Å; A435-E439 PolarHBondContact O-N 2.86Å; I436-E439 PolarHBondContact O-N 3.42Å; E439-N441 PolarHBondContact O-N 3Å
440	K	95.6	Very high	93.4	Very high	69 Å²	69	40.6 Å²	40.6	30%	0.3	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-0.1	175.6	-76.5	-176.8	164.8	-71.2	0	114.2	I436 F437 A438 A442 N475 I477 E513 V516	I436-K440 HydrophobicContact CG2-CD 4.25Å; I436-K440 WeakPolarHBondContact O-CB 3.42Å; I436-K440 WeakPolarHBondContact O-CG 3.38Å; I436-K440 PolarHBondContact O-N 2.89Å; F437-K440 CarbonylContact O-C 3.54Å; F437-K440 PolarHBondContact O-N 2.97Å; A438-K440 VanDerWaalsContact C-N 3.26Å; A438-K440 PolarHBondContact O-N 2.71Å; K440-A442 PolarHBondContact O-N 2.71Å; K440-N475 PolarHBondContact O-ND2 3.49Å; K440-I477 HydrophobicContact CB-CD1 4.48Å; K440-I477 HydrophobicContact CD-CD1 4.39Å; K440-E513 PolarHBondContact NZ-O 3.37Å; K440-V516 HydrophobicContact CD-CG2 3.88Å
441	N	91	Very high	93.1	Very high	130 Å²	130	42.6 Å²	42.6	70%	0.695	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	45	-173.4	-57.2	-74.8	0	0	0	112	F437 A438 E439 N475	F437-N441 PolarHBondContact O-N 3.46Å; A438-N441 PolarHBondContact O-N 2.61Å; E439-N441 PolarHBondContact O-N 3Å; N441-N475 PolarHBondContact O-ND2 2.91Å
442	A	89.7	Confident	93	Very high	28 Å²	28	43.2 Å²	43.2	23%	0.231	23%	0.234	C	C	.	.			trans	-70	128.3	176.1	0	0	0	0	0	109.9	F437 K440 V445 N475 I477	F437-A442 HydrophobicContact CB-CB 4Å; F437-A442 WeakPolarHBondContact O-CB 3.46Å; F437-A442 PolarHBondContact O-N 3.3Å; K440-A442 PolarHBondContact O-N 2.71Å; A442-V445 HydrophobicContact CB-CG2 3.99Å; A442-N475 WeakPolarHBondContact CA-O 3.28Å; A442-I477 HydrophobicContact CB-CB 4.03Å; A442-I477 HydrophobicContact CB-CG1 3.5Å
443	D	85.3	Confident	92.8	Very high	69 Å²	69	40.5 Å²	40.5	37%	0.369	22%	0.222	S	C	.	.	S	Bend	trans	-108.6	-1.3	173.6	68.3	-21.2	0	0	0	113.3	H473 K474 N475	D443-H473 PolarHBondContact O-ND1 3.33Å; D443-H473 VanDerWaalsContact O-ND1 3.15Å; D443-H473 WeakPolarHBondContact OD2-CA 3.38Å; D443-K474 PolarHBondContact OD2-N 3.11Å; D443-N475 PolarHBondContact N-O 2.71Å; D443-N475 VanDerWaalsContact OD1-CA 3.26Å; D443-N475 WeakPolarHBondContact OD1-CA 3.15Å; D443-N475 PolarHBondContact OD1-N 3.04Å; D443-N475 VanDerWaalsContact OD1-O 3.06Å
444	A	88	Confident	92.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	140.5	162.2	0	0	0	0	0	109.1	H473 P476 I477	A444-H473 HydrophobicContact CB-CB 4.2Å; A444-P476 HydrophobicContact CB-CB 4.41Å; A444-P476 CarbonylContact O-C 3.54Å; A444-P476 WeakPolarHBondContact O-CA 3.48Å; A444-I477 PolarHBondContact O-N 3.46Å
445	V	95.2	Very high	92.6	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.7	172.5	-173.5	0	0	0	0	109	F437 A442 I477 L479 I544 Q545 H546	F437-V445 HydrophobicContact CB-CG2 4.06Å; F437-V445 HydrophobicContact CD1-CG1 4.29Å; F437-V445 HydrophobicContact CD1-CG2 4.1Å; F437-V445 HydrophobicContact CD2-CG1 4.13Å; F437-V445 HydrophobicContact CD2-CG2 3.84Å; F437-V445 HydrophobicContact CE1-CG1 3.92Å; F437-V445 HydrophobicContact CE2-CG1 3.76Å; F437-V445 HydrophobicContact CE2-CG2 4.32Å; F437-V445 HydrophobicContact CG-CG1 4.41Å; F437-V445 HydrophobicContact CG-CG2 3.74Å; F437-V445 HydrophobicContact CZ-CG1 3.66Å; A442-V445 HydrophobicContact CB-CG2 3.99Å; V445-I477 WeakPolarHBondContact CA-O 3.41Å; V445-L479 HydrophobicContact CG1-CB 4.2Å; V445-I544 HydrophobicContact CG1-CG2 3.92Å; V445-Q545 PolarHBondContact O-N 2.81Å; V445-Q545 PolarHBondContact O-OE1 3.32Å; V445-H546 PolarHBondContact O-N 2.94Å
446	F	95.8	Very high	92.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.9	178.5	69.2	-80.6	0	0	0	111.5	T465 R466 L469 P476 I477 L478 L479 H546 I548	F446-T465 HydrophobicContact CD2-CG2 3.58Å; F446-T465 HydrophobicContact CE2-CG2 3.85Å; F446-T465 HydrophobicContact CG-CG2 4.06Å; F446-R466 HydrophobicContact CE1-CB 4.3Å; F446-R466 HydrophobicContact CZ-CB 3.9Å; F446-L469 HydrophobicContact CB-CD1 4Å; F446-L469 HydrophobicContact CD1-CD1 3.68Å; F446-L469 HydrophobicContact CE1-CD1 4.33Å; F446-L469 HydrophobicContact CG-CD1 3.94Å; F446-P476 HydrophobicContact CD1-CB 4.21Å; F446-P476 HydrophobicContact CE1-CB 4.01Å; F446-I477 WeakPolarHBondContact CD1-O 3.05Å; F446-I477 VanDerWaalsContact CE1-C 3.49Å; F446-I477 PolarHBondContact N-O 3.13Å; F446-L478 HydrophobicContact CD2-CD1 3.89Å; F446-L478 HydrophobicContact CE1-CB 4.01Å; F446-L478 HydrophobicContact CE2-CB 3.9Å; F446-L478 HydrophobicContact CE2-CD1 3.6Å; F446-L478 HydrophobicContact CE2-CG 4.25Å; F446-L478 HydrophobicContact CZ-CB 3.57Å; F446-L478 HydrophobicContact CZ-CD1 4.21Å; F446-L478 HydrophobicContact CZ-CG 4.38Å; F446-L478 WeakPolarHBondContact O-CA 3.22Å; F446-L479 PolarHBondContact O-N 3.32Å; F446-H546 WeakPolarHBondContact CA-O 3.49Å; F446-H546 HydrophobicContact CB-CB 3.74Å; F446-I548 HydrophobicContact CD2-CD1 3.88Å; F446-I548 HydrophobicContact CD2-CG1 4.48Å; F446-I548 HydrophobicContact CE2-CD1 4.17Å
447	A	96.2	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.1	-178.9	0	0	0	0	0	112.4	L479 I544 H546 Y547 I548	A447-L479 HydrophobicContact CB-CB 4.3Å; A447-I544 HydrophobicContact CB-CD1 3.97Å; A447-I544 HydrophobicContact CB-CG2 4.16Å; A447-H546 PolarHBondContact N-O 3.12Å; A447-H546 VanDerWaalsContact N-O 3.08Å; A447-Y547 HydrophobicContact CB-CD2 4.25Å; A447-I548 PolarHBondContact O-N 3.39Å
448	F	90.1	Very high	92.2	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.053	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.3	167.2	-178.5	-121.2	0	0	0	108.6	L450 H458 M462 I548	F448-L450 HydrophobicContact CD1-CD1 4.48Å; F448-L450 HydrophobicContact CD1-CD2 3.5Å; F448-L450 HydrophobicContact CD1-CG 3.78Å; F448-L450 HydrophobicContact CE1-CD2 3.4Å; F448-L450 HydrophobicContact CE1-CG 4.17Å; F448-L450 PolarHBondContact O-N 2.99Å; F448-H458 HydrophobicContact CE1-CB 4.16Å; F448-H458 AromaticContact CE1-CD2 3.85Å; F448-H458 AromaticContact CE1-CG 3.99Å; F448-H458 AromaticContact CZ-CD2 3.93Å; F448-M462 HydrophobicContact CB-CG 4.26Å; F448-M462 HydrophobicContact CB-SD 4.19Å; F448-M462 HydrophobicContact CD1-CE 4.29Å; F448-M462 HydrophobicContact CD1-SD 4.19Å; F448-I548 HydrophobicContact CB-CB 4.22Å; F448-I548 HydrophobicContact CB-CD1 4.34Å; F448-I548 HydrophobicContact CD2-CB 3.78Å; F448-I548 HydrophobicContact CD2-CG2 3.62Å; F448-I548 WeakPolarHBondContact CD2-O 3.2Å; F448-I548 HydrophobicContact CE2-CG2 4.08Å; F448-I548 HydrophobicContact CG-CB 4.42Å; F448-I548 HydrophobicContact CG-CG2 4.47Å
449	Q	87.9	Confident	92.5	Very high	27 Å²	27	34.2 Å²	34.2	13%	0.126	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	123.1	175.9	169.8	63.2	73.4	0	0	110.4	L483 H535 Y547	Q449-L483 HydrophobicContact CG-CD1 4.4Å; Q449-H535 HydrophobicContact CG-CB 4.38Å; Q449-H535 WeakPolarHBondContact CG-ND1 3.48Å; Q449-H535 PolarHBondContact OE1-ND1 2.96Å; Q449-Y547 VanDerWaalsContact CB-OH 3.25Å; Q449-Y547 WeakPolarHBondContact CB-OH 3.2Å
450	L	89.7	Confident	92.4	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.5	177.8	-72.8	169.4	0	0	0	111.8	F448 I454 L480 P482 L483	F448-L450 HydrophobicContact CD1-CD1 4.48Å; F448-L450 HydrophobicContact CD1-CD2 3.5Å; F448-L450 HydrophobicContact CD1-CG 3.78Å; F448-L450 HydrophobicContact CE1-CD2 3.4Å; F448-L450 HydrophobicContact CE1-CG 4.17Å; F448-L450 PolarHBondContact O-N 2.99Å; L450-I454 HydrophobicContact CD1-CD1 3.72Å; L450-I454 HydrophobicContact CD1-CG1 3.81Å; L450-I454 HydrophobicContact CD2-CG1 3.99Å; L450-L480 HydrophobicContact CD1-CD1 3.2Å; L450-L480 HydrophobicContact CD1-CG 3.86Å; L450-P482 HydrophobicContact CB-CB 4.36Å; L450-P482 CarbonylContact O-C 3.58Å; L450-P482 WeakPolarHBondContact O-CA 3.4Å; L450-L483 PolarHBondContact O-N 3.13Å
451	R	92.3	Very high	92.3	Very high	42 Å²	42	24.9 Å²	24.9	16%	0.158	13%	0.131	C	C	.	.	S	Bend	trans	-109.6	-36.1	164.8	-175.5	-168.2	122.5	-83.6	-5.6	110.9	L483 T487 D491 R497 M524	R451-L483 HydrophobicContact CB-CD1 4.23Å; R451-T487 HydrophobicContact CG-CG2 4.45Å; R451-D491 IonicContact CZ-OD1 3.15Å; R451-D491 IonicContact CZ-OD2 3.67Å; R451-D491 IonicContact NE-OD1 3.51Å; R451-D491 IonicContact NE-OD2 3.48Å; R451-D491 PolarHBondContact NE-OD2 2.71Å; R451-D491 IonicContact NH2-OD1 2.78Å; R451-D491 PolarHBondContact NH2-OD1 3.05Å; R451-D491 IonicContact NH2-OD2 3.65Å; R451-D491 PolarHBondContact NH2-OD2 3.39Å; R451-R497 WeakPolarHBondContact O-CD 3.4Å; R451-R497 PolarHBondContact O-NE 3Å; R451-M524 HydrophobicContact CG-SD 4.39Å
452	N	91.9	Very high	92.5	Very high	68 Å²	68	18.7 Å²	18.7	36%	0.364	10%	0.098	S	C	.	.	S	Bend	trans	-88.9	159.2	179.6	-65.3	-43.2	0	0	0	111.1
453	P	94.7	Very high	92.8	Very high	8 Å²	8	22.5 Å²	22.5	5%	0.052	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-53.7	153.2	164.1	-23.5	33.1	0	0	0	113.2	H458 V492 R497 Q500 L643	P453-H458 PolarHBondContact O-ND1 3.06Å; P453-V492 HydrophobicContact CG-CB 3.98Å; P453-V492 HydrophobicContact CG-CG1 4.21Å; P453-V492 HydrophobicContact CG-CG2 3.69Å; P453-R497 HydrophobicContact CG-CG 4.48Å; P453-Q500 HydrophobicContact CB-CG 4.32Å; P453-L643 HydrophobicContact CB-CD1 3.61Å; P453-L643 HydrophobicContact CB-CD2 3.86Å; P453-L643 HydrophobicContact CB-CG 4.32Å; P453-L643 HydrophobicContact CG-CD1 3.96Å; P453-L643 HydrophobicContact CG-CD2 3.56Å; P453-L643 HydrophobicContact CG-CG 4.42Å
454	I	94	Very high	93.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-86.8	117	-178.7	-62	166.3	0	0	0	109.6	L450 H458 A459 M462 L480 Q500 H501 V504 L510	L450-I454 HydrophobicContact CD1-CD1 3.72Å; L450-I454 HydrophobicContact CD1-CG1 3.81Å; L450-I454 HydrophobicContact CD2-CG1 3.99Å; I454-H458 HydrophobicContact CG2-CB 4.06Å; I454-A459 HydrophobicContact CG2-CB 4.48Å; I454-M462 HydrophobicContact CG2-CE 4.27Å; I454-L480 HydrophobicContact CD1-CD1 3.78Å; I454-L480 HydrophobicContact CD1-CD2 3.88Å; I454-L480 HydrophobicContact CD1-CG 4.27Å; I454-Q500 PolarHBondContact O-NE2 3.35Å; I454-H501 HydrophobicContact CD1-CB 4.33Å; I454-V504 HydrophobicContact CB-CG2 4.22Å; I454-V504 HydrophobicContact CG2-CG1 4.12Å; I454-V504 HydrophobicContact CG2-CG2 4.28Å; I454-L510 HydrophobicContact CD1-CD1 4.38Å
455	H	93.5	Very high	93.5	Very high	40 Å²	40	20.6 Å²	20.6	19%	0.185	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-99.5	170.2	162	63.7	93	0	0	0	109.8	G457 H458 A459 F634 M635	H455-G457 PolarHBondContact ND1-N 3.23Å; H455-G457 PolarHBondContact O-N 3.05Å; H455-H458 AromaticContact CD2-CE1 3.52Å; H455-H458 AromaticContact CD2-ND1 3.57Å; H455-H458 AromaticContact NE2-CD2 3.8Å; H455-H458 AromaticContact NE2-CE1 3.43Å; H455-H458 PolarHBondContact NE2-CE1 3.06Å; H455-H458 AromaticContact NE2-CG 3.95Å; H455-H458 AromaticContact NE2-ND1 3.74Å; H455-H458 AromaticContact NE2-NE2 3.49Å; H455-H458 PolarHBondContact NE2-NE2 2.82Å; H455-H458 WeakPolarHBondContact O-CB 3.25Å; H455-H458 PolarHBondContact O-N 2.78Å; H455-A459 PolarHBondContact O-N 3.4Å; H455-F634 HydrophobicContact CB-CE1 4.06Å; H455-F634 HydrophobicContact CB-CE2 4.19Å; H455-F634 HydrophobicContact CB-CZ 3.87Å; H455-M635 HydrophobicContact CB-CE 3.78Å
456	N	94.8	Very high	93.6	Very high	24 Å²	24	21.6 Å²	21.6	13%	0.128	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-13.5	-172.8	-68.6	-8.1	0	0	0	113.7	L460 V509 M601 G633 F634	N456-L460 VanDerWaalsContact O-CB 3.27Å; N456-L460 WeakPolarHBondContact O-CB 3.1Å; N456-L460 PolarHBondContact O-N 2.94Å; N456-V509 WeakPolarHBondContact OD1-CG1 3.35Å; N456-M601 HydrophobicContact CB-CB 4.03Å; N456-M601 HydrophobicContact CB-CG 3.66Å; N456-G633 WeakPolarHBondContact CB-O 3.49Å; N456-G633 PolarHBondContact ND2-O 2.75Å; N456-F634 VanDerWaalsContact CB-O 3.29Å; N456-F634 WeakPolarHBondContact CB-O 3.44Å; N456-F634 PolarHBondContact N-O 3.47Å
457	G	92.6	Very high	93.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-71	-44.1	171.5	0	0	0	0	0	112.1	H455 A459 L460 L461	H455-G457 PolarHBondContact ND1-N 3.23Å; H455-G457 PolarHBondContact O-N 3.05Å; G457-A459 VanDerWaalsContact C-N 3.34Å; G457-L460 PolarHBondContact O-N 3.33Å; G457-L461 WeakPolarHBondContact O-CG 3.38Å; G457-L461 PolarHBondContact O-N 3.43Å; G457-L461 VanDerWaalsContact O-N 3.16Å
458	H	92.9	Very high	93.4	Very high	29 Å²	29	33.4 Å²	33.4	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-44.1	170.5	-63.1	152	0	0	0	110.7	F448 P453 I454 H455 L460 L461 M462	F448-H458 HydrophobicContact CE1-CB 4.16Å; F448-H458 AromaticContact CE1-CD2 3.85Å; F448-H458 AromaticContact CE1-CG 3.99Å; F448-H458 AromaticContact CZ-CD2 3.93Å; P453-H458 PolarHBondContact O-ND1 3.06Å; I454-H458 HydrophobicContact CG2-CB 4.06Å; H455-H458 AromaticContact CD2-CE1 3.52Å; H455-H458 AromaticContact CD2-ND1 3.57Å; H455-H458 AromaticContact NE2-CD2 3.8Å; H455-H458 AromaticContact NE2-CE1 3.43Å; H455-H458 PolarHBondContact NE2-CE1 3.06Å; H455-H458 AromaticContact NE2-CG 3.95Å; H455-H458 AromaticContact NE2-ND1 3.74Å; H455-H458 AromaticContact NE2-NE2 3.49Å; H455-H458 PolarHBondContact NE2-NE2 2.82Å; H455-H458 WeakPolarHBondContact O-CB 3.25Å; H455-H458 PolarHBondContact O-N 2.78Å; H458-L460 PolarHBondContact O-N 3.49Å; H458-L461 WeakPolarHBondContact O-CB 3.45Å; H458-L461 PolarHBondContact O-N 2.92Å; H458-M462 HydrophobicContact CB-CE 3.98Å; H458-M462 VanDerWaalsContact O-CE 3.28Å; H458-M462 WeakPolarHBondContact O-CE 3.4Å; H458-M462 PolarHBondContact O-N 3.43Å; H458-M462 VanDerWaalsContact O-N 3.11Å
459	A	95	Very high	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-37.7	178	0	0	0	0	0	113.2	I454 H455 G457 L461 M462 R463 V509 L510	I454-A459 HydrophobicContact CG2-CB 4.48Å; H455-A459 PolarHBondContact O-N 3.4Å; G457-A459 VanDerWaalsContact C-N 3.34Å; A459-L461 VanDerWaalsContact C-N 3.33Å; A459-L461 PolarHBondContact O-N 3.36Å; A459-M462 PolarHBondContact O-N 3.06Å; A459-R463 WeakPolarHBondContact O-CB 3.45Å; A459-R463 WeakPolarHBondContact O-CG 3.19Å; A459-R463 PolarHBondContact O-N 3.17Å; A459-R463 PolarHBondContact O-NE 2.97Å; A459-V509 HydrophobicContact CB-CG1 3.39Å; A459-L510 HydrophobicContact CB-CD2 4.08Å; A459-L510 HydrophobicContact CB-CG 4.37Å
460	L	94.4	Very high	93.6	Very high	30 Å²	30	36 Å²	36	16%	0.157	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-44.6	173.4	177.6	64.6	0	0	0	111.3	N456 G457 H458 R463 D464 A592 F603	N456-L460 VanDerWaalsContact O-CB 3.27Å; N456-L460 WeakPolarHBondContact O-CB 3.1Å; N456-L460 PolarHBondContact O-N 2.94Å; G457-L460 PolarHBondContact O-N 3.33Å; H458-L460 PolarHBondContact O-N 3.49Å; L460-R463 PolarHBondContact O-N 2.93Å; L460-D464 WeakPolarHBondContact O-CB 3.49Å; L460-D464 PolarHBondContact O-N 2.99Å; L460-A592 HydrophobicContact CD2-CB 4.31Å; L460-F603 HydrophobicContact CD1-CE2 4.21Å; L460-F603 HydrophobicContact CD1-CZ 4.37Å; L460-F603 HydrophobicContact CD2-CD1 4.17Å; L460-F603 HydrophobicContact CD2-CD2 4.22Å; L460-F603 HydrophobicContact CD2-CE1 4.08Å; L460-F603 HydrophobicContact CD2-CE2 4.14Å; L460-F603 HydrophobicContact CD2-CG 4.23Å; L460-F603 HydrophobicContact CD2-CZ 4.07Å; L460-F603 HydrophobicContact CG-CE1 4.12Å; L460-F603 HydrophobicContact CG-CE2 4.01Å; L460-F603 HydrophobicContact CG-CZ 3.76Å
461	L	92.4	Very high	93.5	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-44.6	178.3	-76.2	161	0	0	0	113	G457 H458 A459 T465 F589 R590 F603	G457-L461 WeakPolarHBondContact O-CG 3.38Å; G457-L461 PolarHBondContact O-N 3.43Å; G457-L461 VanDerWaalsContact O-N 3.16Å; H458-L461 WeakPolarHBondContact O-CB 3.45Å; H458-L461 PolarHBondContact O-N 2.92Å; A459-L461 VanDerWaalsContact C-N 3.33Å; A459-L461 PolarHBondContact O-N 3.36Å; L461-T465 WeakPolarHBondContact O-CB 3.47Å; L461-T465 PolarHBondContact O-N 2.73Å; L461-T465 PolarHBondContact O-OG1 3.4Å; L461-F589 HydrophobicContact CD1-CD2 3.84Å; L461-F589 HydrophobicContact CD1-CE2 3.21Å; L461-F589 HydrophobicContact CD1-CZ 3.92Å; L461-F589 HydrophobicContact CD2-CD2 4.2Å; L461-F589 HydrophobicContact CD2-CE2 4.33Å; L461-F589 HydrophobicContact CG-CE2 4.4Å; L461-R590 HydrophobicContact CD2-CB 4.44Å; L461-R590 WeakPolarHBondContact CD2-O 3.3Å; L461-F603 HydrophobicContact CD2-CE1 3.77Å; L461-F603 HydrophobicContact CD2-CZ 4.49Å; L461-F603 HydrophobicContact CG-CE1 4.27Å
462	M	95.5	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-38.6	178.6	-70.5	-178.8	-86.2	0	0	111.7	F448 I454 H458 A459 R466 L478 L480 L510 I548	F448-M462 HydrophobicContact CB-CG 4.26Å; F448-M462 HydrophobicContact CB-SD 4.19Å; F448-M462 HydrophobicContact CD1-CE 4.29Å; F448-M462 HydrophobicContact CD1-SD 4.19Å; I454-M462 HydrophobicContact CG2-CE 4.27Å; H458-M462 HydrophobicContact CB-CE 3.98Å; H458-M462 VanDerWaalsContact O-CE 3.28Å; H458-M462 WeakPolarHBondContact O-CE 3.4Å; H458-M462 PolarHBondContact O-N 3.43Å; H458-M462 VanDerWaalsContact O-N 3.11Å; A459-M462 PolarHBondContact O-N 3.06Å; M462-R466 PolarHBondContact O-N 2.91Å; M462-L478 HydrophobicContact CB-CD2 4.07Å; M462-L478 HydrophobicContact CG-CD1 4.18Å; M462-L478 HydrophobicContact CG-CD2 4.2Å; M462-L478 HydrophobicContact SD-CD1 3.9Å; M462-L478 HydrophobicContact SD-CD2 3.56Å; M462-L478 VanDerWaalsContact SD-CD2 3.56Å; M462-L478 HydrophobicContact SD-CG 4.36Å; M462-L480 HydrophobicContact CE-CD1 4.09Å; M462-L480 HydrophobicContact SD-CD1 3.66Å; M462-L510 HydrophobicContact CB-CD2 4.05Å; M462-L510 HydrophobicContact CE-CD1 3.84Å; M462-L510 HydrophobicContact CE-CD2 4.31Å; M462-L510 HydrophobicContact SD-CD1 4.17Å; M462-I548 HydrophobicContact CG-CD1 4.17Å
463	R	95.7	Very high	92.6	Very high	108 Å²	108	44.8 Å²	44.8	41%	0.408	22%	0.223	S	C	.	.	H	α-helix	trans	-69.9	-45.8	175.9	-72.1	-176.5	-62.2	169.4	1.1	113.2	A459 L460 T465 R466 E467 W514	A459-R463 WeakPolarHBondContact O-CB 3.45Å; A459-R463 WeakPolarHBondContact O-CG 3.19Å; A459-R463 PolarHBondContact O-N 3.17Å; A459-R463 PolarHBondContact O-NE 2.97Å; L460-R463 PolarHBondContact O-N 2.93Å; R463-T465 VanDerWaalsContact C-N 3.26Å; R463-T465 PolarHBondContact O-N 2.83Å; R463-R466 WeakPolarHBondContact O-CB 3.43Å; R463-R466 PolarHBondContact O-N 2.72Å; R463-E467 PolarHBondContact O-N 2.89Å; R463-W514 HydrophobicContact CG-CH2 3.84Å; R463-W514 HydrophobicContact CG-CZ2 4.12Å
464	D	94.6	Very high	92.2	Very high	21 Å²	21	53.6 Å²	53.6	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-37.7	175.5	171.9	93.7	0	0	0	111.3	L460 E467 K468 R590 F603	L460-D464 WeakPolarHBondContact O-CB 3.49Å; L460-D464 PolarHBondContact O-N 2.99Å; D464-E467 PolarHBondContact O-N 2.98Å; D464-K468 WeakPolarHBondContact O-CG 3.05Å; D464-K468 PolarHBondContact O-N 3.48Å; D464-K468 VanDerWaalsContact O-N 3.08Å; D464-K468 IonicContact OD1-NZ 3.69Å; D464-K468 VanDerWaalsContact OD2-CE 3.28Å; D464-K468 WeakPolarHBondContact OD2-CE 3.43Å; D464-K468 IonicContact OD2-NZ 2.73Å; D464-K468 PolarHBondContact OD2-NZ 3.43Å; D464-R590 IonicContact OD1-NH1 3.85Å; D464-R590 PolarHBondContact OD1-NH1 2.92Å; D464-F603 HydrophobicContact CB-CE2 3.77Å; D464-F603 HydrophobicContact CB-CZ 3.47Å; D464-F603 VanDerWaalsContact CB-CZ 3.47Å; D464-F603 VanDerWaalsContact CG-CZ 3.45Å; D464-F603 VanDerWaalsContact OD1-CE2 3.28Å; D464-F603 WeakPolarHBondContact OD1-CE2 3.18Å
465	T	94.5	Very high	92.1	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.049	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-49.3	173.1	-65	0	0	0	0	111.4	F446 L461 R463 E467 K468 L469 I548 L587	F446-T465 HydrophobicContact CD2-CG2 3.58Å; F446-T465 HydrophobicContact CE2-CG2 3.85Å; F446-T465 HydrophobicContact CG-CG2 4.06Å; L461-T465 WeakPolarHBondContact O-CB 3.47Å; L461-T465 PolarHBondContact O-N 2.73Å; L461-T465 PolarHBondContact O-OG1 3.4Å; R463-T465 VanDerWaalsContact C-N 3.26Å; R463-T465 PolarHBondContact O-N 2.83Å; T465-E467 VanDerWaalsContact C-N 3.31Å; T465-E467 PolarHBondContact O-N 3.1Å; T465-K468 PolarHBondContact O-N 3.45Å; T465-L469 HydrophobicContact CG2-CD1 4.02Å; T465-L469 HydrophobicContact CG2-CG 4.46Å; T465-L469 WeakPolarHBondContact O-CG 3.29Å; T465-L469 PolarHBondContact O-N 3.45Å; T465-I548 HydrophobicContact CG2-CD1 3.79Å; T465-I548 HydrophobicContact CG2-CG1 3.96Å; T465-I548 VanDerWaalsContact OG1-CD1 3.23Å; T465-I548 WeakPolarHBondContact OG1-CD1 3.48Å; T465-L587 HydrophobicContact CG2-CD1 3.27Å
466	R	96.4	Very high	92.2	Very high	28 Å²	28	54 Å²	54	11%	0.106	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-48.4	175.4	176.7	179.9	-166.6	70.9	5.7	111.5	F446 M462 R463 K468 L469 L470 P476 W514	F446-R466 HydrophobicContact CE1-CB 4.3Å; F446-R466 HydrophobicContact CZ-CB 3.9Å; M462-R466 PolarHBondContact O-N 2.91Å; R463-R466 WeakPolarHBondContact O-CB 3.43Å; R463-R466 PolarHBondContact O-N 2.72Å; R466-K468 VanDerWaalsContact C-N 3.28Å; R466-K468 PolarHBondContact O-N 3.23Å; R466-L469 PolarHBondContact O-N 2.83Å; R466-L469 VanDerWaalsContact O-N 3.12Å; R466-L470 HydrophobicContact CG-CD1 4.05Å; R466-L470 HydrophobicContact CG-CG 4.31Å; R466-L470 WeakPolarHBondContact O-CG 3.21Å; R466-L470 PolarHBondContact O-N 3.39Å; R466-P476 VanDerWaalsContact CZ-O 3.31Å; R466-P476 PolarHBondContact NH1-O 3.23Å; R466-P476 PolarHBondContact NH2-O 2.93Å; R466-W514 VanDerWaalsContact CD-CD2 3.48Å; R466-W514 VanDerWaalsContact CD-CE2 3.47Å
467	E	95.4	Very high	92.4	Very high	140 Å²	140	52.9 Å²	52.9	65%	0.654	26%	0.258	S	S	*	.	H	α-helix	trans	-58.1	-40.9	-178.2	-174.5	175.4	-175.2	0	0	111.9	R463 D464 T465 L470	R463-E467 PolarHBondContact O-N 2.89Å; D464-E467 PolarHBondContact O-N 2.98Å; T465-E467 VanDerWaalsContact C-N 3.31Å; T465-E467 PolarHBondContact O-N 3.1Å; E467-L470 PolarHBondContact O-N 3.03Å
468	K	92.2	Very high	92.6	Very high	108 Å²	108	52.8 Å²	52.8	47%	0.47	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-43.9	173.9	-71.8	165.6	177.7	165.8	0	112.5	D464 T465 R466 L470 A471	D464-K468 WeakPolarHBondContact O-CG 3.05Å; D464-K468 PolarHBondContact O-N 3.48Å; D464-K468 VanDerWaalsContact O-N 3.08Å; D464-K468 IonicContact OD1-NZ 3.69Å; D464-K468 VanDerWaalsContact OD2-CE 3.28Å; D464-K468 WeakPolarHBondContact OD2-CE 3.43Å; D464-K468 IonicContact OD2-NZ 2.73Å; D464-K468 PolarHBondContact OD2-NZ 3.43Å; T465-K468 PolarHBondContact O-N 3.45Å; R466-K468 VanDerWaalsContact C-N 3.28Å; R466-K468 PolarHBondContact O-N 3.23Å; K468-L470 VanDerWaalsContact C-N 3.25Å; K468-L470 PolarHBondContact O-N 3.13Å; K468-A471 VanDerWaalsContact O-CB 3.29Å; K468-A471 WeakPolarHBondContact O-CB 3.47Å; K468-A471 PolarHBondContact O-N 3.4Å; K468-A471 VanDerWaalsContact O-N 3.15Å
469	L	89.3	Confident	92.9	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-30.2	178.7	-67.5	175.5	0	0	0	112	F446 T465 R466 A471 E472 H473 P476 H546	F446-L469 HydrophobicContact CB-CD1 4Å; F446-L469 HydrophobicContact CD1-CD1 3.68Å; F446-L469 HydrophobicContact CE1-CD1 4.33Å; F446-L469 HydrophobicContact CG-CD1 3.94Å; T465-L469 HydrophobicContact CG2-CD1 4.02Å; T465-L469 HydrophobicContact CG2-CG 4.46Å; T465-L469 WeakPolarHBondContact O-CG 3.29Å; T465-L469 PolarHBondContact O-N 3.45Å; R466-L469 PolarHBondContact O-N 2.83Å; R466-L469 VanDerWaalsContact O-N 3.12Å; L469-A471 PolarHBondContact O-N 3.01Å; L469-A471 VanDerWaalsContact O-N 3.11Å; L469-E472 PolarHBondContact O-N 2.7Å; L469-H473 WeakPolarHBondContact O-CB 3.15Å; L469-H473 PolarHBondContact O-CD2 2.65Å; L469-H473 PolarHBondContact O-N 3.23Å; L469-P476 HydrophobicContact CB-CB 3.98Å; L469-P476 HydrophobicContact CB-CG 3.53Å; L469-P476 HydrophobicContact CD1-CB 4.16Å; L469-H546 VanDerWaalsContact CD2-CE1 3.43Å; L469-H546 WeakPolarHBondContact CD2-CE1 3.41Å
470	L	93.5	Very high	93	Very high	83 Å²	83	51.4 Å²	51.4	44%	0.435	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.6	174.8	-76.1	169	0	0	0	114	R466 E467 K468 E472 H473 P476	R466-L470 HydrophobicContact CG-CD1 4.05Å; R466-L470 HydrophobicContact CG-CG 4.31Å; R466-L470 WeakPolarHBondContact O-CG 3.21Å; R466-L470 PolarHBondContact O-N 3.39Å; E467-L470 PolarHBondContact O-N 3.03Å; K468-L470 VanDerWaalsContact C-N 3.25Å; K468-L470 PolarHBondContact O-N 3.13Å; L470-E472 VanDerWaalsContact C-N 3.32Å; L470-H473 CarbonylContact C-O 3.55Å; L470-H473 VanDerWaalsContact CA-O 3.3Å; L470-H473 WeakPolarHBondContact CA-O 3.49Å; L470-P476 HydrophobicContact CD2-CG 4.24Å; L470-P476 HydrophobicContact CG-CG 4.29Å
471	A	88.7	Confident	93.1	Very high	88 Å²	88	50 Å²	50	73%	0.727	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.7	172.5	0	0	0	0	0	112.9	K468 L469	K468-A471 VanDerWaalsContact O-CB 3.29Å; K468-A471 WeakPolarHBondContact O-CB 3.47Å; K468-A471 PolarHBondContact O-N 3.4Å; K468-A471 VanDerWaalsContact O-N 3.15Å; L469-A471 PolarHBondContact O-N 3.01Å; L469-A471 VanDerWaalsContact O-N 3.11Å
472	E	81.7	Confident	93.4	Very high	166 Å²	166	49.8 Å²	49.8	78%	0.776	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-19.9	-174.6	-63.5	-178.4	-169.6	0	0	113	L469 L470	L469-E472 PolarHBondContact O-N 2.7Å; L470-E472 VanDerWaalsContact C-N 3.32Å
473	H	82.6	Confident	93.4	Very high	43 Å²	43	49.8 Å²	49.8	20%	0.199	24%	0.242	C	C	.	.			trans	-128.2	149.1	-175.7	-59.7	-86.6	0	0	0	110.5	D443 A444 L469 L470 P476 H546	D443-H473 PolarHBondContact O-ND1 3.33Å; D443-H473 VanDerWaalsContact O-ND1 3.15Å; D443-H473 WeakPolarHBondContact OD2-CA 3.38Å; A444-H473 HydrophobicContact CB-CB 4.2Å; L469-H473 WeakPolarHBondContact O-CB 3.15Å; L469-H473 PolarHBondContact O-CD2 2.65Å; L469-H473 PolarHBondContact O-N 3.23Å; L470-H473 CarbonylContact C-O 3.55Å; L470-H473 VanDerWaalsContact CA-O 3.3Å; L470-H473 WeakPolarHBondContact CA-O 3.49Å; H473-P476 HydrophobicContact CB-CG 3.96Å; H473-H546 AromaticContact NE2-NE2 3.75Å
474	K	86	Confident	93.4	Very high	193 Å²	193	45 Å²	45	84%	0.839	23%	0.227	S	C	*	.	S	Bend	trans	-84.7	-35.5	-179.6	-64.4	-179	-179.3	177.1	0	112.5	D443	D443-K474 PolarHBondContact OD2-N 3.11Å
475	N	92.8	Very high	93.5	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.251	23%	0.225	S	C	.	.			trans	-145.5	70.3	-175.4	-171.6	34.1	0	0	0	112.4	K440 N441 A442 D443	K440-N475 PolarHBondContact O-ND2 3.49Å; N441-N475 PolarHBondContact O-ND2 2.91Å; A442-N475 WeakPolarHBondContact CA-O 3.28Å; D443-N475 PolarHBondContact N-O 2.71Å; D443-N475 VanDerWaalsContact OD1-CA 3.26Å; D443-N475 WeakPolarHBondContact OD1-CA 3.15Å; D443-N475 PolarHBondContact OD1-N 3.04Å; D443-N475 VanDerWaalsContact OD1-O 3.06Å
476	P	95.3	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	151.9	166.6	-21.4	32.1	0	0	0	110.2	A444 F446 R466 L469 L470 H473	A444-P476 HydrophobicContact CB-CB 4.41Å; A444-P476 CarbonylContact O-C 3.54Å; A444-P476 WeakPolarHBondContact O-CA 3.48Å; F446-P476 HydrophobicContact CD1-CB 4.21Å; F446-P476 HydrophobicContact CE1-CB 4.01Å; R466-P476 VanDerWaalsContact CZ-O 3.31Å; R466-P476 PolarHBondContact NH1-O 3.23Å; R466-P476 PolarHBondContact NH2-O 2.93Å; L469-P476 HydrophobicContact CB-CB 3.98Å; L469-P476 HydrophobicContact CB-CG 3.53Å; L469-P476 HydrophobicContact CD1-CB 4.16Å; L470-P476 HydrophobicContact CD2-CG 4.24Å; L470-P476 HydrophobicContact CG-CG 4.29Å; H473-P476 HydrophobicContact CB-CG 3.96Å
477	I	98	Very high	93.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.5	172.1	-65.9	-64.9	0	0	0	109.3	F437 K440 A442 A444 V445 F446 W514 V516	F437-I477 HydrophobicContact CD1-CG2 3.91Å; F437-I477 HydrophobicContact CE1-CG2 3.94Å; K440-I477 HydrophobicContact CB-CD1 4.48Å; K440-I477 HydrophobicContact CD-CD1 4.39Å; A442-I477 HydrophobicContact CB-CB 4.03Å; A442-I477 HydrophobicContact CB-CG1 3.5Å; A444-I477 PolarHBondContact O-N 3.46Å; V445-I477 WeakPolarHBondContact CA-O 3.41Å; F446-I477 WeakPolarHBondContact CD1-O 3.05Å; F446-I477 VanDerWaalsContact CE1-C 3.49Å; F446-I477 PolarHBondContact N-O 3.13Å; I477-W514 HydrophobicContact CD1-CB 3.96Å; I477-V516 HydrophobicContact CG2-CG2 3.83Å
478	L	98.2	Very high	93.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.4	173.5	171.2	62.2	0	0	0	109.5	F446 M462 L480 L510 W514 T515 V516	F446-L478 HydrophobicContact CD2-CD1 3.89Å; F446-L478 HydrophobicContact CE1-CB 4.01Å; F446-L478 HydrophobicContact CE2-CB 3.9Å; F446-L478 HydrophobicContact CE2-CD1 3.6Å; F446-L478 HydrophobicContact CE2-CG 4.25Å; F446-L478 HydrophobicContact CZ-CB 3.57Å; F446-L478 HydrophobicContact CZ-CD1 4.21Å; F446-L478 HydrophobicContact CZ-CG 4.38Å; F446-L478 WeakPolarHBondContact O-CA 3.22Å; M462-L478 HydrophobicContact CB-CD2 4.07Å; M462-L478 HydrophobicContact CG-CD1 4.18Å; M462-L478 HydrophobicContact CG-CD2 4.2Å; M462-L478 HydrophobicContact SD-CD1 3.9Å; M462-L478 HydrophobicContact SD-CD2 3.56Å; M462-L478 VanDerWaalsContact SD-CD2 3.56Å; M462-L478 HydrophobicContact SD-CG 4.36Å; L478-L480 HydrophobicContact CD2-CB 4.45Å; L478-L480 HydrophobicContact CD2-CD1 4.26Å; L478-L480 HydrophobicContact CG-CB 4.37Å; L478-L480 PolarHBondContact O-N 2.9Å; L478-L510 HydrophobicContact CD2-CD1 4.12Å; L478-L510 HydrophobicContact CD2-CD2 4.25Å; L478-W514 HydrophobicContact CB-CE3 3.89Å; L478-W514 HydrophobicContact CB-CZ3 3.97Å; L478-W514 HydrophobicContact CD2-CE3 4.49Å; L478-W514 HydrophobicContact CD2-CZ3 3.82Å; L478-W514 PolarHBondContact N-O 3.32Å; L478-T515 HydrophobicContact CD2-CG2 3.96Å; L478-T515 HydrophobicContact CG-CG2 4.37Å; L478-V516 PolarHBondContact O-N 2.73Å
479	L	98	Very high	93.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	97.8	160.9	178.4	52.8	0	0	0	108.9	L433 F437 V445 F446 A447 H481 V516 A542 I544	L433-L479 HydrophobicContact CD1-CD1 4.32Å; L433-L479 HydrophobicContact CD1-CD2 4.21Å; L433-L479 HydrophobicContact CD2-CD1 3.92Å; F437-L479 HydrophobicContact CE1-CB 4.48Å; F437-L479 HydrophobicContact CE2-CD2 4.5Å; F437-L479 HydrophobicContact CZ-CB 3.95Å; F437-L479 HydrophobicContact CZ-CD1 4.05Å; F437-L479 HydrophobicContact CZ-CD2 4.05Å; F437-L479 HydrophobicContact CZ-CG 4.17Å; V445-L479 HydrophobicContact CG1-CB 4.2Å; F446-L479 PolarHBondContact O-N 3.32Å; A447-L479 HydrophobicContact CB-CB 4.3Å; L479-H481 HydrophobicContact CD1-CB 4.33Å; L479-H481 HydrophobicContact CD2-CB 4.48Å; L479-H481 HydrophobicContact CG-CB 3.94Å; L479-H481 PolarHBondContact O-N 3.09Å; L479-V516 HydrophobicContact CD1-CG1 4.36Å; L479-A542 HydrophobicContact CD2-CB 4.21Å; L479-I544 HydrophobicContact CD2-CG2 4.09Å
480	L	97.6	Very high	93.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	100.2	174.3	-169.7	71.3	0	0	0	108.4	L450 I454 M462 L478 P482 H501 I505 L510 T515 V516 L517 S518	L450-L480 HydrophobicContact CD1-CD1 3.2Å; L450-L480 HydrophobicContact CD1-CG 3.86Å; I454-L480 HydrophobicContact CD1-CD1 3.78Å; I454-L480 HydrophobicContact CD1-CD2 3.88Å; I454-L480 HydrophobicContact CD1-CG 4.27Å; M462-L480 HydrophobicContact CE-CD1 4.09Å; M462-L480 HydrophobicContact SD-CD1 3.66Å; L478-L480 HydrophobicContact CD2-CB 4.45Å; L478-L480 HydrophobicContact CD2-CD1 4.26Å; L478-L480 HydrophobicContact CG-CB 4.37Å; L478-L480 PolarHBondContact O-N 2.9Å; L480-P482 VanDerWaalsContact C-CD 3.48Å; L480-P482 WeakPolarHBondContact O-CD 3.48Å; L480-H501 HydrophobicContact CD2-CB 4.28Å; L480-I505 HydrophobicContact CD2-CD1 4.13Å; L480-L510 HydrophobicContact CD1-CD1 3.92Å; L480-L510 HydrophobicContact CD2-CD1 4.05Å; L480-T515 HydrophobicContact CB-CG2 3.82Å; L480-T515 HydrophobicContact CD2-CG2 4.05Å; L480-V516 PolarHBondContact N-O 3.06Å; L480-L517 HydrophobicContact CB-CD1 4.49Å; L480-L517 HydrophobicContact CD2-CD1 4.01Å; L480-L517 HydrophobicContact CG-CD1 4.22Å; L480-L517 WeakPolarHBondContact O-CA 3.27Å; L480-S518 PolarHBondContact O-N 2.73Å
481	H	97.2	Very high	93.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	68.9	-158.9	-147.9	-151.5	0	0	0	114.1	W283 L479 S518 F520 R539	W283-H481 AromaticContact CH2-CE1 3.28Å; W283-H481 WeakPolarHBondContact CH2-CE1 3.15Å; W283-H481 AromaticContact CH2-NE2 3.62Å; W283-H481 AromaticContact CZ3-CE1 3.68Å; L479-H481 HydrophobicContact CD1-CB 4.33Å; L479-H481 HydrophobicContact CD2-CB 4.48Å; L479-H481 HydrophobicContact CG-CB 3.94Å; L479-H481 PolarHBondContact O-N 3.09Å; H481-S518 WeakPolarHBondContact CA-O 3.36Å; H481-S518 PolarHBondContact CD2-O 2.51Å; H481-S518 VanDerWaalsContact CD2-O 3.23Å; H481-F520 VanDerWaalsContact CE1-CB 3.46Å; H481-F520 WeakPolarHBondContact CE1-CB 3.16Å; H481-F520 AromaticContact CE1-CD2 3.64Å; H481-F520 AromaticContact CE1-CG 3.85Å; H481-R539 PolarHBondContact ND1-NE 3.42Å; H481-R539 PolarHBondContact ND1-NH2 3.21Å; H481-R539 PolarHBondContact O-NH2 2.9Å
482	P	97.1	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.7	176.5	22.7	-36	0	0	0	113.8	L450 L480 G484 I498 L517 S518 F520	L450-P482 HydrophobicContact CB-CB 4.36Å; L450-P482 CarbonylContact O-C 3.58Å; L450-P482 WeakPolarHBondContact O-CA 3.4Å; L480-P482 VanDerWaalsContact C-CD 3.48Å; L480-P482 WeakPolarHBondContact O-CD 3.48Å; P482-G484 PolarHBondContact O-N 3.44Å; P482-I498 HydrophobicContact CG-CD1 3.67Å; P482-L517 HydrophobicContact CG-CD1 4Å; P482-S518 WeakPolarHBondContact CD-O 3.47Å; P482-F520 PolarHBondContact O-N 2.88Å
483	L	96.5	Very high	94.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-62.9	128.1	168	-86.8	152.2	0	0	0	110.2	Q449 L450 R451 L494 R497 F520 S522 M524	Q449-L483 HydrophobicContact CG-CD1 4.4Å; L450-L483 PolarHBondContact O-N 3.13Å; R451-L483 HydrophobicContact CB-CD1 4.23Å; L483-L494 WeakPolarHBondContact O-CD1 3.2Å; L483-R497 VanDerWaalsContact O-CZ 3.3Å; L483-R497 PolarHBondContact O-NH1 3.16Å; L483-R497 PolarHBondContact O-NH2 3.39Å; L483-F520 HydrophobicContact CD2-CD1 3.68Å; L483-F520 HydrophobicContact CD2-CE1 4.13Å; L483-F520 HydrophobicContact CG-CD1 4.32Å; L483-S522 WeakPolarHBondContact CD2-O 3.4Å; L483-M524 HydrophobicContact CD1-CB 4.25Å; L483-M524 HydrophobicContact CD1-CG 4.43Å; L483-M524 HydrophobicContact CD1-SD 3.43Å; L483-M524 WeakPolarHBondContact CD1-SD 3.45Å
484	G	96.4	Very high	95.3	Very high	9 Å²	9	32.7 Å²	32.7	9%	0.093	17%	0.167	C	C	.	.			trans	-113	-8	-179.1	0	0	0	0	0	115.4	P482 I519 F520	P482-G484 PolarHBondContact O-N 3.44Å; G484-I519 VanDerWaalsContact CA-CG2 3.47Å; G484-F520 PolarHBondContact N-O 3.49Å
485	G	96.6	Very high	95.9	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	14%	0.141	C	C	.	.	S	Bend	trans	-74.9	-170.9	171.8	0	0	0	0	0	112.4	Q274 P521 S522	Q274-G485 VanDerWaalsContact CD-CA 3.49Å; G485-P521 WeakPolarHBondContact CA-O 3.42Å; G485-P521 PolarHBondContact N-O 2.88Å; G485-S522 VanDerWaalsContact CA-O 3.27Å; G485-S522 WeakPolarHBondContact CA-O 3.35Å; G485-S522 PolarHBondContact N-O 2.59Å; G485-S522 VanDerWaalsContact N-O 3.1Å
486	W	97.5	Very high	96.1	Very high	56 Å²	56	25 Å²	25	21%	0.212	13%	0.134	C	C	.	.			trans	-55.5	140.5	177.3	175.2	88.9	0	0	0	111.8	V271 P394 K488 P523 M524 Y526	V271-W486 HydrophobicContact CG2-CB 3.85Å; V271-W486 HydrophobicContact CG2-CG 4.13Å; P394-W486 HydrophobicContact CB-CH2 3.88Å; P394-W486 HydrophobicContact CB-CZ2 4.47Å; P394-W486 HydrophobicContact CG-CH2 4.2Å; W486-K488 HydrophobicContact CH2-CB 4.26Å; W486-K488 HydrophobicContact CZ2-CB 4.39Å; W486-P523 HydrophobicContact CB-CB 4.41Å; W486-M524 VanDerWaalsContact CZ3-O 3.22Å; W486-M524 WeakPolarHBondContact CZ3-O 3.41Å; W486-M524 WeakPolarHBondContact O-CB 3.47Å; W486-M524 PolarHBondContact O-N 2.84Å; W486-Y526 HydrophobicContact CH2-CE2 4.21Å; W486-Y526 HydrophobicContact CZ3-CD2 4.42Å; W486-Y526 AromaticContact CZ3-CE2 3.89Å; W486-Y526 HydrophobicContact CZ3-CE2 3.89Å
487	T	97.2	Very high	96.2	Very high	25 Å²	25	25 Å²	25	15%	0.153	14%	0.135	C	C	.	.			trans	-134	153.9	171.9	56.2	0	0	0	0	108.1	R451 D491 M524 Y526	R451-T487 HydrophobicContact CG-CG2 4.45Å; T487-D491 WeakPolarHBondContact CB-OD2 3.43Å; T487-M524 HydrophobicContact CG2-CB 4.06Å; T487-Y526 WeakPolarHBondContact CA-OH 3.46Å; T487-Y526 WeakPolarHBondContact CB-OH 3.24Å
488	K	94.9	Very high	96.2	Very high	35 Å²	35	25 Å²	25	15%	0.152	14%	0.135	C	C	.	.			trans	-60.5	155.5	174.8	71.8	-173.2	-177.6	115.1	0	112.2	P394 W486 D490 D491 Y526 I556	P394-K488 HydrophobicContact CB-CB 4.45Å; P394-K488 HydrophobicContact CG-CB 4.1Å; P394-K488 HydrophobicContact CG-CD 4.42Å; W486-K488 HydrophobicContact CH2-CB 4.26Å; W486-K488 HydrophobicContact CZ2-CB 4.39Å; K488-D490 VanDerWaalsContact C-N 3.3Å; K488-D490 VanDerWaalsContact CD-OD1 3.26Å; K488-D490 WeakPolarHBondContact CD-OD1 3.42Å; K488-D490 WeakPolarHBondContact CE-OD1 3.39Å; K488-D490 WeakPolarHBondContact CG-OD1 3.21Å; K488-D490 IonicContact NZ-OD1 3.35Å; K488-D490 PolarHBondContact NZ-OD1 2.95Å; K488-D490 IonicContact NZ-OD2 2.84Å; K488-D490 PolarHBondContact NZ-OD2 3.42Å; K488-D490 PolarHBondContact O-N 2.79Å; K488-D491 WeakPolarHBondContact CE-OD1 3.35Å; K488-D491 VanDerWaalsContact O-CB 3.29Å; K488-D491 WeakPolarHBondContact O-CB 3.49Å; K488-D491 PolarHBondContact O-N 3.39Å; K488-Y526 HydrophobicContact CB-CE2 4.01Å; K488-Y526 HydrophobicContact CD-CD1 4.3Å; K488-Y526 HydrophobicContact CD-CE1 3.68Å; K488-Y526 HydrophobicContact CD-CE2 4.19Å; K488-Y526 HydrophobicContact CG-CE1 4.04Å; K488-Y526 HydrophobicContact CG-CE2 4.14Å; K488-Y526 WeakPolarHBondContact CG-OH 3.03Å; K488-Y526 PolarHBondContact N-OH 2.88Å; K488-I556 HydrophobicContact CD-CD1 4.09Å
489	D	91.5	Very high	96.2	Very high	153 Å²	153	29.9 Å²	29.9	82%	0.818	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.6	-165.9	-59.2	-22.9	0	0	0	115.4	D491	D489-D491 VanDerWaalsContact C-N 3.25Å; D489-D491 PolarHBondContact O-N 3.21Å
490	D	89.7	Confident	96.2	Very high	83 Å²	83	29.9 Å²	29.9	44%	0.444	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0	178.2	67.3	-57.2	0	0	0	113.9	K488	K488-D490 VanDerWaalsContact C-N 3.3Å; K488-D490 VanDerWaalsContact CD-OD1 3.26Å; K488-D490 WeakPolarHBondContact CD-OD1 3.42Å; K488-D490 WeakPolarHBondContact CE-OD1 3.39Å; K488-D490 WeakPolarHBondContact CG-OD1 3.21Å; K488-D490 IonicContact NZ-OD1 3.35Å; K488-D490 PolarHBondContact NZ-OD1 2.95Å; K488-D490 IonicContact NZ-OD2 2.84Å; K488-D490 PolarHBondContact NZ-OD2 3.42Å; K488-D490 PolarHBondContact O-N 2.79Å
491	D	93.2	Very high	96.2	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.043	16%	0.156	C	C	.	.	S	Bend	trans	-77.4	154.9	174.5	-68.1	-4.3	0	0	0	112.1	R451 T487 K488 D489 P493 Y526	R451-D491 IonicContact CZ-OD1 3.15Å; R451-D491 IonicContact CZ-OD2 3.67Å; R451-D491 IonicContact NE-OD1 3.51Å; R451-D491 IonicContact NE-OD2 3.48Å; R451-D491 PolarHBondContact NE-OD2 2.71Å; R451-D491 IonicContact NH2-OD1 2.78Å; R451-D491 PolarHBondContact NH2-OD1 3.05Å; R451-D491 IonicContact NH2-OD2 3.65Å; R451-D491 PolarHBondContact NH2-OD2 3.39Å; T487-D491 WeakPolarHBondContact CB-OD2 3.43Å; K488-D491 WeakPolarHBondContact CE-OD1 3.35Å; K488-D491 VanDerWaalsContact O-CB 3.29Å; K488-D491 WeakPolarHBondContact O-CB 3.49Å; K488-D491 PolarHBondContact O-N 3.39Å; D489-D491 VanDerWaalsContact C-N 3.25Å; D489-D491 PolarHBondContact O-N 3.21Å; D491-P493 WeakPolarHBondContact O-CD 3.24Å; D491-Y526 PolarHBondContact OD2-OH 2.85Å
492	V	94.5	Very high	96.2	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-70.2	126.3	172.4	-178.8	0	0	0	0	108.4	P453 I496 R497 L643 Y646 Y647	P453-V492 HydrophobicContact CG-CB 3.98Å; P453-V492 HydrophobicContact CG-CG1 4.21Å; P453-V492 HydrophobicContact CG-CG2 3.69Å; V492-I496 HydrophobicContact CG1-CB 3.75Å; V492-I496 HydrophobicContact CG1-CG2 3.54Å; V492-R497 HydrophobicContact CB-CG 3.98Å; V492-R497 HydrophobicContact CG1-CG 3.83Å; V492-R497 WeakPolarHBondContact O-CD 3.44Å; V492-R497 PolarHBondContact O-NE 2.74Å; V492-L643 HydrophobicContact CG1-CD2 4.06Å; V492-L643 HydrophobicContact CG2-CD2 4.47Å; V492-Y646 HydrophobicContact CG1-CD1 4.37Å; V492-Y646 HydrophobicContact CG1-CE1 4.46Å; V492-Y647 HydrophobicContact CG2-CE2 4.21Å; V492-Y647 VanDerWaalsContact CG2-OH 3.24Å; V492-Y647 WeakPolarHBondContact CG2-OH 3.43Å
493	P	96.1	Very high	96.3	Very high	40 Å²	40	34.4 Å²	34.4	26%	0.26	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-55.1	151.8	179.6	-28.5	36.2	0	0	0	112.8	D491 D495 I496 R497 Y646	D491-P493 WeakPolarHBondContact O-CD 3.24Å; P493-D495 WeakPolarHBondContact CB-OD1 3.41Å; P493-D495 PolarHBondContact O-N 2.82Å; P493-I496 HydrophobicContact CB-CG1 4.26Å; P493-I496 PolarHBondContact O-N 2.87Å; P493-R497 WeakPolarHBondContact O-CG 3.39Å; P493-R497 PolarHBondContact O-N 3.1Å; P493-Y646 WeakPolarHBondContact CD-OH 3.18Å; P493-Y646 HydrophobicContact CG-CE1 4.45Å; P493-Y646 HydrophobicContact CG-CE2 3.79Å; P493-Y646 WeakPolarHBondContact CG-OH 3.19Å
494	L	97.3	Very high	96.3	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-44.2	-175	178.3	61.1	0	0	0	112.8	L423 L483 I496 R497 I498 I519	L423-L494 HydrophobicContact CD1-CB 4.4Å; L423-L494 HydrophobicContact CD1-CD2 3.92Å; L423-L494 HydrophobicContact CD1-CG 3.76Å; L483-L494 WeakPolarHBondContact O-CD1 3.2Å; L494-I496 VanDerWaalsContact C-N 3.31Å; L494-I496 PolarHBondContact O-N 2.91Å; L494-R497 WeakPolarHBondContact O-CB 3.31Å; L494-R497 PolarHBondContact O-N 2.93Å; L494-R497 VanDerWaalsContact O-N 3.15Å; L494-I498 HydrophobicContact CD1-CD1 4.41Å; L494-I498 HydrophobicContact CD1-CG1 4.06Å; L494-I498 HydrophobicContact CG-CG1 4.39Å; L494-I498 WeakPolarHBondContact O-CG1 3.22Å; L494-I498 PolarHBondContact O-N 2.79Å; L494-I519 HydrophobicContact CD1-CD1 4.4Å; L494-I519 HydrophobicContact CD1-CG1 4.45Å; L494-I519 HydrophobicContact CD2-CD1 4.15Å; L494-I519 HydrophobicContact CD2-CG2 4.43Å; L494-I519 HydrophobicContact CG-CD1 4.47Å
495	D	97.5	Very high	96.4	Very high	56 Å²	56	35.3 Å²	35.3	30%	0.299	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-39.3	-179.3	73.8	-57.4	0	0	0	111.7	L423 P493 I498 K499	L423-D495 HydrophobicContact CD1-CB 3.96Å; P493-D495 WeakPolarHBondContact CB-OD1 3.41Å; P493-D495 PolarHBondContact O-N 2.82Å; D495-I498 PolarHBondContact O-N 3.28Å; D495-K499 VanDerWaalsContact O-CG 3.3Å; D495-K499 WeakPolarHBondContact O-CG 3.22Å; D495-K499 PolarHBondContact O-N 3.23Å; D495-K499 IonicContact OD2-NZ 2.71Å; D495-K499 PolarHBondContact OD2-NZ 2.92Å
496	I	97.6	Very high	96.4	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.108	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-42	174.5	-55.7	-56.1	0	0	0	110.7	V492 P493 L494 K499 Q500 V642 L643 Y646	V492-I496 HydrophobicContact CG1-CB 3.75Å; V492-I496 HydrophobicContact CG1-CG2 3.54Å; P493-I496 HydrophobicContact CB-CG1 4.26Å; P493-I496 PolarHBondContact O-N 2.87Å; L494-I496 VanDerWaalsContact C-N 3.31Å; L494-I496 PolarHBondContact O-N 2.91Å; I496-K499 PolarHBondContact O-N 3.02Å; I496-Q500 VanDerWaalsContact O-CB 3.26Å; I496-Q500 WeakPolarHBondContact O-CB 3.3Å; I496-Q500 PolarHBondContact O-N 3.42Å; I496-V642 HydrophobicContact CG2-CG1 4.01Å; I496-L643 HydrophobicContact CG2-CD2 4.2Å; I496-Y646 HydrophobicContact CD1-CD2 4.17Å; I496-Y646 HydrophobicContact CD1-CG 4.46Å; I496-Y646 HydrophobicContact CG1-CD2 3.78Å; I496-Y646 HydrophobicContact CG1-CE2 4.34Å; I496-Y646 HydrophobicContact CG1-CG 4Å; I496-Y646 HydrophobicContact CG2-CD1 4.38Å; I496-Y646 HydrophobicContact CG2-CG 4.04Å
497	R	97.6	Very high	96.4	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-44.9	175.3	-72.2	-175.7	-72.8	116.8	-11.2	111.6	R451 P453 L483 V492 P493 L494 Q500 H501	R451-R497 WeakPolarHBondContact O-CD 3.4Å; R451-R497 PolarHBondContact O-NE 3Å; P453-R497 HydrophobicContact CG-CG 4.48Å; L483-R497 VanDerWaalsContact O-CZ 3.3Å; L483-R497 PolarHBondContact O-NH1 3.16Å; L483-R497 PolarHBondContact O-NH2 3.39Å; V492-R497 HydrophobicContact CB-CG 3.98Å; V492-R497 HydrophobicContact CG1-CG 3.83Å; V492-R497 WeakPolarHBondContact O-CD 3.44Å; V492-R497 PolarHBondContact O-NE 2.74Å; P493-R497 WeakPolarHBondContact O-CG 3.39Å; P493-R497 PolarHBondContact O-N 3.1Å; L494-R497 WeakPolarHBondContact O-CB 3.31Å; L494-R497 PolarHBondContact O-N 2.93Å; L494-R497 VanDerWaalsContact O-N 3.15Å; R497-Q500 CarbonylContact O-C 3.21Å; R497-Q500 WeakPolarHBondContact O-CB 3Å; R497-Q500 PolarHBondContact O-N 2.93Å; R497-H501 PolarHBondContact O-CE1 2.89Å; R497-H501 PolarHBondContact O-N 2.76Å; R497-H501 PolarHBondContact O-ND1 2.87Å
498	I	98	Very high	96.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-48.4	178.4	-66.5	-61.1	0	0	0	111.2	L423 Y426 P482 L494 D495 Q500 H501 E502 L517 I519	L423-I498 HydrophobicContact CD1-CG1 4.5Å; L423-I498 HydrophobicContact CD2-CB 4.22Å; L423-I498 HydrophobicContact CD2-CG1 4.41Å; L423-I498 HydrophobicContact CD2-CG2 4.12Å; Y426-I498 HydrophobicContact CD1-CG2 4.43Å; Y426-I498 HydrophobicContact CD2-CG2 3.94Å; Y426-I498 HydrophobicContact CE1-CG2 4.13Å; Y426-I498 HydrophobicContact CE2-CG2 3.61Å; Y426-I498 HydrophobicContact CG-CG2 4.36Å; P482-I498 HydrophobicContact CG-CD1 3.67Å; L494-I498 HydrophobicContact CD1-CD1 4.41Å; L494-I498 HydrophobicContact CD1-CG1 4.06Å; L494-I498 HydrophobicContact CG-CG1 4.39Å; L494-I498 WeakPolarHBondContact O-CG1 3.22Å; L494-I498 PolarHBondContact O-N 2.79Å; D495-I498 PolarHBondContact O-N 3.28Å; I498-Q500 PolarHBondContact O-N 3.29Å; I498-H501 PolarHBondContact O-N 3.31Å; I498-E502 WeakPolarHBondContact O-CG 3.41Å; I498-E502 PolarHBondContact O-N 2.79Å; I498-L517 HydrophobicContact CD1-CD1 4.16Å; I498-I519 HydrophobicContact CD1-CD1 4.07Å; I498-I519 HydrophobicContact CD1-CG1 3.76Å; I498-I519 HydrophobicContact CG1-CD1 4.11Å; I498-I519 HydrophobicContact CG1-CG1 4.34Å
499	K	98	Very high	96.5	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-54.5	-41.9	173.6	-72.3	166.5	-175.8	158.8	0	111.7	D495 I496 E502 A503 V642	D495-K499 VanDerWaalsContact O-CG 3.3Å; D495-K499 WeakPolarHBondContact O-CG 3.22Å; D495-K499 PolarHBondContact O-N 3.23Å; D495-K499 IonicContact OD2-NZ 2.71Å; D495-K499 PolarHBondContact OD2-NZ 2.92Å; I496-K499 PolarHBondContact O-N 3.02Å; K499-E502 PolarHBondContact O-N 3.24Å; K499-A503 PolarHBondContact O-N 3.36Å; K499-V642 HydrophobicContact CB-CG1 3.94Å
500	Q	97.6	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-38.1	177.9	-171.6	-84.8	-30.1	0	0	112.3	P453 I454 I496 R497 I498 A503 V504 A639 V642 L643	P453-Q500 HydrophobicContact CB-CG 4.32Å; I454-Q500 PolarHBondContact O-NE2 3.35Å; I496-Q500 VanDerWaalsContact O-CB 3.26Å; I496-Q500 WeakPolarHBondContact O-CB 3.3Å; I496-Q500 PolarHBondContact O-N 3.42Å; R497-Q500 CarbonylContact O-C 3.21Å; R497-Q500 WeakPolarHBondContact O-CB 3Å; R497-Q500 PolarHBondContact O-N 2.93Å; I498-Q500 PolarHBondContact O-N 3.29Å; Q500-A503 PolarHBondContact O-N 2.81Å; Q500-V504 WeakPolarHBondContact O-CG2 3.31Å; Q500-V504 PolarHBondContact O-N 2.81Å; Q500-V504 VanDerWaalsContact O-N 3.08Å; Q500-A639 HydrophobicContact CG-CB 4.15Å; Q500-V642 HydrophobicContact CB-CB 4.44Å; Q500-V642 HydrophobicContact CB-CG1 4Å; Q500-L643 HydrophobicContact CB-CD2 4.44Å; Q500-L643 HydrophobicContact CG-CD1 4.29Å; Q500-L643 HydrophobicContact CG-CD2 4.12Å; Q500-L643 HydrophobicContact CG-CG 3.98Å
501	H	97.8	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-38.6	176.9	-65.1	11.8	0	0	0	111.6	I454 L480 R497 I498 A503 V504 I505 L517	I454-H501 HydrophobicContact CD1-CB 4.33Å; L480-H501 HydrophobicContact CD2-CB 4.28Å; R497-H501 PolarHBondContact O-CE1 2.89Å; R497-H501 PolarHBondContact O-N 2.76Å; R497-H501 PolarHBondContact O-ND1 2.87Å; I498-H501 PolarHBondContact O-N 3.31Å; H501-A503 VanDerWaalsContact C-N 3.33Å; H501-A503 PolarHBondContact O-N 3.21Å; H501-V504 WeakPolarHBondContact O-CB 3.49Å; H501-V504 PolarHBondContact O-N 3.48Å; H501-I505 WeakPolarHBondContact O-CG1 3.49Å; H501-I505 PolarHBondContact O-N 2.91Å; H501-L517 HydrophobicContact CB-CD1 4.15Å; H501-L517 HydrophobicContact CB-CD2 4.09Å
502	E	97.8	Very high	97.3	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-42.8	172.8	-69.7	-172.7	124.8	0	0	111.7	Y426 I498 K499 V504 I505 A506 L517	Y426-E502 PolarHBondContact OH-OE1 3.08Å; I498-E502 WeakPolarHBondContact O-CG 3.41Å; I498-E502 PolarHBondContact O-N 2.79Å; K499-E502 PolarHBondContact O-N 3.24Å; E502-V504 PolarHBondContact O-N 3Å; E502-I505 PolarHBondContact O-N 3.22Å; E502-A506 VanDerWaalsContact O-CB 3.31Å; E502-A506 WeakPolarHBondContact O-CB 3.37Å; E502-A506 PolarHBondContact O-N 2.87Å; E502-L517 HydrophobicContact CG-CD2 4.09Å
503	A	98.1	Very high	97.4	Very high	12 Å²	12	46.7 Å²	46.7	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-43.3	174.4	0	0	0	0	0	112.4	K499 Q500 H501 I505 A506 E507 T638 A639	K499-A503 PolarHBondContact O-N 3.36Å; Q500-A503 PolarHBondContact O-N 2.81Å; H501-A503 VanDerWaalsContact C-N 3.33Å; H501-A503 PolarHBondContact O-N 3.21Å; A503-I505 VanDerWaalsContact C-N 3.3Å; A503-I505 PolarHBondContact O-N 2.89Å; A503-A506 PolarHBondContact O-N 2.88Å; A503-E507 WeakPolarHBondContact O-CB 3.36Å; A503-E507 PolarHBondContact O-N 2.74Å; A503-T638 WeakPolarHBondContact CB-OG1 3.38Å; A503-A639 HydrophobicContact CB-CB 3.92Å
504	V	97.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-39.7	174.9	166.9	0	0	0	0	112.2	I454 Q500 H501 E502 V509 L510 A639	I454-V504 HydrophobicContact CB-CG2 4.22Å; I454-V504 HydrophobicContact CG2-CG1 4.12Å; I454-V504 HydrophobicContact CG2-CG2 4.28Å; Q500-V504 WeakPolarHBondContact O-CG2 3.31Å; Q500-V504 PolarHBondContact O-N 2.81Å; Q500-V504 VanDerWaalsContact O-N 3.08Å; H501-V504 WeakPolarHBondContact O-CB 3.49Å; H501-V504 PolarHBondContact O-N 3.48Å; E502-V504 PolarHBondContact O-N 3Å; V504-V509 HydrophobicContact CG1-CB 3.94Å; V504-V509 HydrophobicContact CG1-CG1 3.97Å; V504-V509 WeakPolarHBondContact O-CB 3.46Å; V504-V509 PolarHBondContact O-N 2.9Å; V504-L510 HydrophobicContact CG1-CB 4.29Å; V504-L510 HydrophobicContact CG1-CD1 4Å; V504-L510 HydrophobicContact CG1-CG 3.93Å; V504-L510 PolarHBondContact O-N 3.27Å; V504-A639 HydrophobicContact CG2-CB 3.68Å
505	I	97.6	Very high	97.5	Very high	28 Å²	28	45.5 Å²	45.5	14%	0.144	23%	0.229	C	C	.	.	H	α-helix	trans	-73.5	-42.9	178	-66.5	167.4	0	0	0	110.8	L480 H501 E502 A503 E507 R508 L510 P512 T515 L517	L480-I505 HydrophobicContact CD2-CD1 4.13Å; H501-I505 WeakPolarHBondContact O-CG1 3.49Å; H501-I505 PolarHBondContact O-N 2.91Å; E502-I505 PolarHBondContact O-N 3.22Å; A503-I505 VanDerWaalsContact C-N 3.3Å; A503-I505 PolarHBondContact O-N 2.89Å; I505-E507 VanDerWaalsContact C-N 3.32Å; I505-E507 PolarHBondContact O-N 3.1Å; I505-R508 WeakPolarHBondContact O-CA 3.43Å; I505-R508 PolarHBondContact O-N 3.44Å; I505-L510 WeakPolarHBondContact CA-O 3.4Å; I505-L510 HydrophobicContact CG1-CB 4.43Å; I505-P512 HydrophobicContact CG2-CB 3.71Å; I505-P512 HydrophobicContact CG2-CG 4.4Å; I505-T515 HydrophobicContact CD1-CG2 4.03Å; I505-T515 HydrophobicContact CG1-CG2 4.33Å; I505-L517 HydrophobicContact CD1-CB 4.12Å; I505-L517 HydrophobicContact CD1-CD2 4.35Å
506	A	97.5	Very high	97.5	Very high	81 Å²	81	43.4 Å²	43.4	67%	0.669	22%	0.218	S	C	*	.	H	α-helix	trans	-61.7	-38.7	179.5	0	0	0	0	0	112.3	E502 A503 R508	E502-A506 VanDerWaalsContact O-CB 3.31Å; E502-A506 WeakPolarHBondContact O-CB 3.37Å; E502-A506 PolarHBondContact O-N 2.87Å; A503-A506 PolarHBondContact O-N 2.88Å; A506-R508 PolarHBondContact O-N 3.46Å
507	E	97.3	Very high	97.5	Very high	67 Å²	67	43.7 Å²	43.7	31%	0.313	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	2.4	173.6	-69.2	-167.7	-112.7	0	0	113.9	A503 I505 V509 A636 P637 T638 A639	A503-E507 WeakPolarHBondContact O-CB 3.36Å; A503-E507 PolarHBondContact O-N 2.74Å; I505-E507 VanDerWaalsContact C-N 3.32Å; I505-E507 PolarHBondContact O-N 3.1Å; E507-V509 HydrophobicContact CB-CG2 4.37Å; E507-V509 PolarHBondContact O-N 3.06Å; E507-V509 VanDerWaalsContact O-N 3.17Å; E507-A636 HydrophobicContact CB-CB 4.23Å; E507-A636 VanDerWaalsContact CD-CB 3.46Å; E507-A636 HydrophobicContact CG-CB 4.39Å; E507-A636 WeakPolarHBondContact OE1-CB 3.25Å; E507-P637 VanDerWaalsContact OE2-CD 3.25Å; E507-P637 WeakPolarHBondContact OE2-CD 3.14Å; E507-T638 VanDerWaalsContact CD-OG1 3.26Å; E507-T638 HydrophobicContact CG-CG2 4.31Å; E507-T638 WeakPolarHBondContact CG-OG1 3.49Å; E507-T638 WeakPolarHBondContact OE1-CA 3.22Å; E507-T638 VanDerWaalsContact OE1-CB 3.22Å; E507-T638 WeakPolarHBondContact OE1-CB 3.34Å; E507-T638 PolarHBondContact OE1-N 3.46Å; E507-T638 PolarHBondContact OE1-OG1 3.21Å; E507-A639 PolarHBondContact OE1-N 2.84Å
508	R	96.9	Very high	97.6	Very high	193 Å²	193	43.7 Å²	43.7	73%	0.728	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	26.3	-179.2	-55	-174.2	175.6	-158.9	-3.5	114.2	I505 A506	I505-R508 WeakPolarHBondContact O-CA 3.43Å; I505-R508 PolarHBondContact O-N 3.44Å; A506-R508 PolarHBondContact O-N 3.46Å
509	V	96.4	Very high	97.6	Very high	23 Å²	23	43.6 Å²	43.6	14%	0.139	22%	0.219	C	C	.	.	S	Bend	trans	-66.3	-36.7	167.4	170.3	0	0	0	0	109.7	N456 A459 V504 E507 A636	N456-V509 WeakPolarHBondContact OD1-CG1 3.35Å; A459-V509 HydrophobicContact CB-CG1 3.39Å; V504-V509 HydrophobicContact CG1-CB 3.94Å; V504-V509 HydrophobicContact CG1-CG1 3.97Å; V504-V509 WeakPolarHBondContact O-CB 3.46Å; V504-V509 PolarHBondContact O-N 2.9Å; E507-V509 HydrophobicContact CB-CG2 4.37Å; E507-V509 PolarHBondContact O-N 3.06Å; E507-V509 VanDerWaalsContact O-N 3.17Å; V509-A636 HydrophobicContact CG2-CB 3.7Å
510	L	97	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-116	137	158.3	-64.8	175.4	0	0	0	108	I454 A459 M462 L478 L480 V504 I505 W514	I454-L510 HydrophobicContact CD1-CD1 4.38Å; A459-L510 HydrophobicContact CB-CD2 4.08Å; A459-L510 HydrophobicContact CB-CG 4.37Å; M462-L510 HydrophobicContact CB-CD2 4.05Å; M462-L510 HydrophobicContact CE-CD1 3.84Å; M462-L510 HydrophobicContact CE-CD2 4.31Å; M462-L510 HydrophobicContact SD-CD1 4.17Å; L478-L510 HydrophobicContact CD2-CD1 4.12Å; L478-L510 HydrophobicContact CD2-CD2 4.25Å; L480-L510 HydrophobicContact CD1-CD1 3.92Å; L480-L510 HydrophobicContact CD2-CD1 4.05Å; V504-L510 HydrophobicContact CG1-CB 4.29Å; V504-L510 HydrophobicContact CG1-CD1 4Å; V504-L510 HydrophobicContact CG1-CG 3.93Å; V504-L510 PolarHBondContact O-N 3.27Å; I505-L510 WeakPolarHBondContact CA-O 3.4Å; I505-L510 HydrophobicContact CG1-CB 4.43Å; L510-W514 HydrophobicContact CD2-CH2 3.88Å; L510-W514 HydrophobicContact CD2-CZ3 4.29Å
511	D	97.3	Very high	97.6	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	20%	0.198	S	C	.	.			trans	-78.8	129.4	-176.2	-164.1	-42.3	0	0	0	110.4	E513 W514 T515	D511-E513 PolarHBondContact O-N 3.04Å; D511-E513 WeakPolarHBondContact OD1-CB 3.3Å; D511-E513 PolarHBondContact OD1-N 3.5Å; D511-W514 HydrophobicContact CB-CD2 4.05Å; D511-W514 HydrophobicContact CB-CG 4.17Å; D511-W514 HydrophobicContact CB-CZ2 3.69Å; D511-W514 PolarHBondContact O-N 3.08Å; D511-T515 WeakPolarHBondContact O-CB 3.47Å; D511-T515 PolarHBondContact O-N 3.38Å; D511-T515 VanDerWaalsContact O-N 3.16Å; D511-T515 PolarHBondContact O-OG1 2.97Å
512	P	97.2	Very high	97.6	Very high	53 Å²	53	38.8 Å²	38.8	34%	0.344	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.1	176.6	24.2	-34.6	0	0	0	114.1	I505 W514	I505-P512 HydrophobicContact CG2-CB 3.71Å; I505-P512 HydrophobicContact CG2-CG 4.4Å; P512-W514 VanDerWaalsContact C-N 3.31Å; P512-W514 PolarHBondContact O-N 3.44Å
513	E	97	Very high	97.6	Very high	143 Å²	143	35 Å²	35	67%	0.668	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-40.9	-176.8	-70.6	-57.5	130.2	0	0	111.7	K440 D511	K440-E513 PolarHBondContact NZ-O 3.37Å; D511-E513 PolarHBondContact O-N 3.04Å; D511-E513 WeakPolarHBondContact OD1-CB 3.3Å; D511-E513 PolarHBondContact OD1-N 3.5Å
514	W	97.5	Very high	97.6	Very high	27 Å²	27	34.6 Å²	34.6	10%	0.102	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	10	-176.8	57.9	-103.5	0	0	0	115.2	R463 R466 I477 L478 L510 D511 P512	R463-W514 HydrophobicContact CG-CH2 3.84Å; R463-W514 HydrophobicContact CG-CZ2 4.12Å; R466-W514 VanDerWaalsContact CD-CD2 3.48Å; R466-W514 VanDerWaalsContact CD-CE2 3.47Å; I477-W514 HydrophobicContact CD1-CB 3.96Å; L478-W514 HydrophobicContact CB-CE3 3.89Å; L478-W514 HydrophobicContact CB-CZ3 3.97Å; L478-W514 HydrophobicContact CD2-CE3 4.49Å; L478-W514 HydrophobicContact CD2-CZ3 3.82Å; L478-W514 PolarHBondContact N-O 3.32Å; L510-W514 HydrophobicContact CD2-CH2 3.88Å; L510-W514 HydrophobicContact CD2-CZ3 4.29Å; D511-W514 HydrophobicContact CB-CD2 4.05Å; D511-W514 HydrophobicContact CB-CG 4.17Å; D511-W514 HydrophobicContact CB-CZ2 3.69Å; D511-W514 PolarHBondContact O-N 3.08Å; P512-W514 VanDerWaalsContact C-N 3.31Å; P512-W514 PolarHBondContact O-N 3.44Å
515	T	98.2	Very high	97.6	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.067	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.5	178.2	-55.7	0	0	0	0	111	L478 L480 I505 D511	L478-T515 HydrophobicContact CD2-CG2 3.96Å; L478-T515 HydrophobicContact CG-CG2 4.37Å; L480-T515 HydrophobicContact CB-CG2 3.82Å; L480-T515 HydrophobicContact CD2-CG2 4.05Å; I505-T515 HydrophobicContact CD1-CG2 4.03Å; I505-T515 HydrophobicContact CG1-CG2 4.33Å; D511-T515 WeakPolarHBondContact O-CB 3.47Å; D511-T515 PolarHBondContact O-N 3.38Å; D511-T515 VanDerWaalsContact O-N 3.16Å; D511-T515 PolarHBondContact O-OG1 2.97Å
516	V	98.1	Very high	97.6	Very high	11 Å²	11	34 Å²	34	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.3	170.9	177.5	0	0	0	0	108.5	L433 I436 F437 K440 I477 L478 L479 L480	L433-V516 HydrophobicContact CD2-CG1 4.14Å; I436-V516 HydrophobicContact CG2-CG1 4.14Å; I436-V516 HydrophobicContact CG2-CG2 3.88Å; F437-V516 HydrophobicContact CD1-CG2 4.35Å; F437-V516 HydrophobicContact CE1-CB 4.08Å; F437-V516 HydrophobicContact CE1-CG1 4.32Å; F437-V516 HydrophobicContact CE1-CG2 3.93Å; K440-V516 HydrophobicContact CD-CG2 3.88Å; I477-V516 HydrophobicContact CG2-CG2 3.83Å; L478-V516 PolarHBondContact O-N 2.73Å; L479-V516 HydrophobicContact CD1-CG1 4.36Å; L480-V516 PolarHBondContact N-O 3.06Å
517	L	98	Very high	97.6	Very high	28 Å²	28	30.2 Å²	30.2	15%	0.147	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.2	174.2	174	60.4	0	0	0	110.2	Y426 L480 P482 I498 H501 E502 I505	Y426-L517 HydrophobicContact CD1-CD2 4.15Å; Y426-L517 HydrophobicContact CD1-CG 4.16Å; Y426-L517 HydrophobicContact CE1-CD2 4.06Å; L480-L517 HydrophobicContact CB-CD1 4.49Å; L480-L517 HydrophobicContact CD2-CD1 4.01Å; L480-L517 HydrophobicContact CG-CD1 4.22Å; L480-L517 WeakPolarHBondContact O-CA 3.27Å; P482-L517 HydrophobicContact CG-CD1 4Å; I498-L517 HydrophobicContact CD1-CD1 4.16Å; H501-L517 HydrophobicContact CB-CD1 4.15Å; H501-L517 HydrophobicContact CB-CD2 4.09Å; E502-L517 HydrophobicContact CG-CD2 4.09Å; I505-L517 HydrophobicContact CD1-CB 4.12Å; I505-L517 HydrophobicContact CD1-CD2 4.35Å
518	S	98	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.			trans	-145.7	155.2	175.2	-174.3	0	0	0	0	111.7	Y426 K428 L480 H481 P482	Y426-S518 CarbonylContact O-C 3.42Å; Y426-S518 VanDerWaalsContact O-CA 3.22Å; Y426-S518 WeakPolarHBondContact O-CA 3.49Å; Y426-S518 WeakPolarHBondContact O-CB 2.98Å; Y426-S518 PolarHBondContact O-OG 3.38Å; K428-S518 WeakPolarHBondContact CB-OG 3.39Å; K428-S518 PolarHBondContact N-OG 3.41Å; L480-S518 PolarHBondContact O-N 2.73Å; H481-S518 WeakPolarHBondContact CA-O 3.36Å; H481-S518 PolarHBondContact CD2-O 2.51Å; H481-S518 VanDerWaalsContact CD2-O 3.23Å; P482-S518 WeakPolarHBondContact CD-O 3.47Å
519	I	98.1	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.			trans	-94.2	126.7	179.6	-68.4	171.1	0	0	0	109.7	L423 Y426 R427 G484 L494 I498	L423-I519 HydrophobicContact CB-CD1 3.85Å; Y426-I519 HydrophobicContact CD2-CD1 4.5Å; Y426-I519 HydrophobicContact CG-CD1 4.49Å; Y426-I519 PolarHBondContact O-N 3.15Å; R427-I519 HydrophobicContact CG-CB 3.94Å; R427-I519 HydrophobicContact CG-CD1 4.23Å; R427-I519 HydrophobicContact CG-CG2 4.05Å; G484-I519 VanDerWaalsContact CA-CG2 3.47Å; L494-I519 HydrophobicContact CD1-CD1 4.4Å; L494-I519 HydrophobicContact CD1-CG1 4.45Å; L494-I519 HydrophobicContact CD2-CD1 4.15Å; L494-I519 HydrophobicContact CD2-CG2 4.43Å; L494-I519 HydrophobicContact CG-CD1 4.47Å; I498-I519 HydrophobicContact CD1-CD1 4.07Å; I498-I519 HydrophobicContact CD1-CG1 3.76Å; I498-I519 HydrophobicContact CG1-CD1 4.11Å; I498-I519 HydrophobicContact CG1-CG1 4.34Å
520	F	98.1	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-84.8	121	168.9	-178.6	-130.7	0	0	0	110.3	W283 H481 P482 L483 G484 S522 W534 S538 R539	W283-F520 HydrophobicContact CB-CE2 4.32Å; W283-F520 AromaticContact CD2-CD2 3.99Å; W283-F520 HydrophobicContact CD2-CD2 3.99Å; W283-F520 AromaticContact CD2-CE2 3.77Å; W283-F520 HydrophobicContact CD2-CE2 3.77Å; W283-F520 AromaticContact CE3-CD2 3.97Å; W283-F520 HydrophobicContact CE3-CD2 3.97Å; W283-F520 AromaticContact CE3-CE2 3.72Å; W283-F520 HydrophobicContact CE3-CE2 3.72Å; W283-F520 HydrophobicContact CG-CE2 4.05Å; W283-F520 HydrophobicContact CH2-CD2 4.36Å; W283-F520 HydrophobicContact CZ2-CD2 4.37Å; W283-F520 HydrophobicContact CZ3-CD2 4.17Å; W283-F520 HydrophobicContact CZ3-CE2 4.32Å; H481-F520 VanDerWaalsContact CE1-CB 3.46Å; H481-F520 WeakPolarHBondContact CE1-CB 3.16Å; H481-F520 AromaticContact CE1-CD2 3.64Å; H481-F520 AromaticContact CE1-CG 3.85Å; P482-F520 PolarHBondContact O-N 2.88Å; L483-F520 HydrophobicContact CD2-CD1 3.68Å; L483-F520 HydrophobicContact CD2-CE1 4.13Å; L483-F520 HydrophobicContact CG-CD1 4.32Å; G484-F520 PolarHBondContact N-O 3.49Å; F520-S522 VanDerWaalsContact C-N 3.3Å; F520-S522 VanDerWaalsContact CZ-CB 3.46Å; F520-S522 PolarHBondContact O-N 2.82Å; F520-W534 HydrophobicContact CZ-CZ2 4.05Å; F520-S538 VanDerWaalsContact CZ-CB 3.45Å; F520-S538 WeakPolarHBondContact CZ-OG 3.43Å; F520-R539 VanDerWaalsContact CB-NH2 3.29Å; F520-R539 VanDerWaalsContact CD1-CZ 3.47Å
521	P	97.6	Very high	97.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.103	C	C	.	.			trans	-73.4	-13.5	-168	28.1	-36.9	0	0	0	115.7	Q277 V278 W283 G485	Q277-P521 HydrophobicContact CB-CB 4.32Å; Q277-P521 HydrophobicContact CG-CB 3.88Å; Q277-P521 HydrophobicContact CG-CG 4.23Å; V278-P521 HydrophobicContact CG2-CB 4.39Å; V278-P521 HydrophobicContact CG2-CG 4Å; W283-P521 HydrophobicContact CG-CG 4.39Å; G485-P521 WeakPolarHBondContact CA-O 3.42Å; G485-P521 PolarHBondContact N-O 2.88Å
522	S	98.1	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-56.4	139.4	-175.8	-175.5	0	0	0	0	112.8	L483 G485 F520 W534	L483-S522 WeakPolarHBondContact CD2-O 3.4Å; G485-S522 VanDerWaalsContact CA-O 3.27Å; G485-S522 WeakPolarHBondContact CA-O 3.35Å; G485-S522 PolarHBondContact N-O 2.59Å; G485-S522 VanDerWaalsContact N-O 3.1Å; F520-S522 VanDerWaalsContact C-N 3.3Å; F520-S522 VanDerWaalsContact CZ-CB 3.46Å; F520-S522 PolarHBondContact O-N 2.82Å; S522-W534 PolarHBondContact OG-NE1 2.96Å
523	P	98.1	Very high	97.8	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.019	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-59.5	152.3	160.3	-21.6	34.5	0	0	0	111.4	V271 Q274 W275 W486	V271-P523 HydrophobicContact CG1-CB 4.42Å; V271-P523 HydrophobicContact CG1-CG 4.01Å; Q274-P523 HydrophobicContact CB-CG 3.94Å; W275-P523 HydrophobicContact CD2-CG 4.22Å; W275-P523 HydrophobicContact CG-CG 4.45Å; W275-P523 HydrophobicContact CZ2-CB 4.32Å; W275-P523 HydrophobicContact CZ2-CG 4.05Å; W486-P523 HydrophobicContact CB-CB 4.41Å
524	M	98	Very high	97.8	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.02	5%	0.047	C	C	.	.	P	Polyproline II helix	trans	-92.3	118.2	169.9	-179.5	79.7	-175.5	0	0	109.6	R451 L483 W486 T487 Y526 A554	R451-M524 HydrophobicContact CG-SD 4.39Å; L483-M524 HydrophobicContact CD1-CB 4.25Å; L483-M524 HydrophobicContact CD1-CG 4.43Å; L483-M524 HydrophobicContact CD1-SD 3.43Å; L483-M524 WeakPolarHBondContact CD1-SD 3.45Å; W486-M524 VanDerWaalsContact CZ3-O 3.22Å; W486-M524 WeakPolarHBondContact CZ3-O 3.41Å; W486-M524 WeakPolarHBondContact O-CB 3.47Å; W486-M524 PolarHBondContact O-N 2.84Å; T487-M524 HydrophobicContact CG2-CB 4.06Å; M524-Y526 HydrophobicContact CB-CE2 4.08Å; M524-Y526 HydrophobicContact CE-CD1 3.65Å; M524-Y526 HydrophobicContact CE-CE1 3.93Å; M524-Y526 HydrophobicContact CE-CG 4.12Å; M524-Y526 HydrophobicContact CG-CD1 4.01Å; M524-Y526 HydrophobicContact CG-CD2 3.96Å; M524-Y526 HydrophobicContact CG-CE1 3.68Å; M524-Y526 HydrophobicContact CG-CE2 3.58Å; M524-Y526 HydrophobicContact CG-CG 4.11Å; M524-Y526 WeakPolarHBondContact O-CE2 3.22Å; M524-A554 VanDerWaalsContact CE-CA 3.43Å; M524-A554 HydrophobicContact CE-CB 3.91Å
525	M	97.8	Very high	97.8	Very high	15 Å²	15	7.4 Å²	7.4	7%	0.074	4%	0.042	C	C	.	.			trans	-95.9	-15.9	-178.1	-69.7	163.7	-67.3	0	0	113.2	W275 I336 Q385 F386 H393 A395 A527 E531	W275-M525 HydrophobicContact CH2-CE 3.93Å; W275-M525 HydrophobicContact CH2-SD 4.11Å; W275-M525 HydrophobicContact CZ2-CE 4.09Å; W275-M525 HydrophobicContact CZ2-CG 4.43Å; W275-M525 HydrophobicContact CZ2-SD 3.72Å; I336-M525 HydrophobicContact CB-CE 4.23Å; I336-M525 HydrophobicContact CD1-CE 3.62Å; I336-M525 HydrophobicContact CD1-SD 3.98Å; I336-M525 HydrophobicContact CG1-CE 3.65Å; I336-M525 HydrophobicContact CG1-SD 4.39Å; I336-M525 HydrophobicContact CG2-CE 3.64Å; I336-M525 HydrophobicContact CG2-SD 3.57Å; I336-M525 VanDerWaalsContact CG2-SD 3.57Å; Q385-M525 PolarHBondContact NE2-SD 2.8Å; Q385-M525 VanDerWaalsContact NE2-SD 3.4Å; F386-M525 HydrophobicContact CE1-CB 4Å; F386-M525 WeakPolarHBondContact CE1-O 3.34Å; H393-M525 PolarHBondContact CE1-O 2.87Å; A395-M525 HydrophobicContact CB-CB 4.27Å; A395-M525 WeakPolarHBondContact CB-O 3.46Å; M525-A527 VanDerWaalsContact C-N 3.28Å; M525-A527 HydrophobicContact CB-CB 4.42Å; M525-A527 PolarHBondContact O-N 3.12Å; M525-E531 HydrophobicContact CE-CB 4.41Å; M525-E531 HydrophobicContact CE-CG 3.83Å; M525-E531 WeakPolarHBondContact CE-OE1 3.4Å; M525-E531 PolarHBondContact N-OE1 2.86Å; M525-E531 PolarHBondContact N-OE2 2.6Å
526	Y	97.8	Very high	97.7	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.039	C	C	.	.			trans	62	33.6	-174.1	-49.9	-90.6	0	0	0	113.1	H393 P394 W486 T487 K488 D491 M524 G528 E531 A554 I556 Y566	H393-Y526 PolarHBondContact NE2-O 3.47Å; H393-Y526 VanDerWaalsContact NE2-O 3.09Å; P394-Y526 HydrophobicContact CG-CD2 4.13Å; P394-Y526 HydrophobicContact CG-CE2 4.42Å; W486-Y526 HydrophobicContact CH2-CE2 4.21Å; W486-Y526 HydrophobicContact CZ3-CD2 4.42Å; W486-Y526 AromaticContact CZ3-CE2 3.89Å; W486-Y526 HydrophobicContact CZ3-CE2 3.89Å; T487-Y526 WeakPolarHBondContact CA-OH 3.46Å; T487-Y526 WeakPolarHBondContact CB-OH 3.24Å; K488-Y526 HydrophobicContact CB-CE2 4.01Å; K488-Y526 HydrophobicContact CD-CD1 4.3Å; K488-Y526 HydrophobicContact CD-CE1 3.68Å; K488-Y526 HydrophobicContact CD-CE2 4.19Å; K488-Y526 HydrophobicContact CG-CE1 4.04Å; K488-Y526 HydrophobicContact CG-CE2 4.14Å; K488-Y526 WeakPolarHBondContact CG-OH 3.03Å; K488-Y526 PolarHBondContact N-OH 2.88Å; D491-Y526 PolarHBondContact OD2-OH 2.85Å; M524-Y526 HydrophobicContact CB-CE2 4.08Å; M524-Y526 HydrophobicContact CE-CD1 3.65Å; M524-Y526 HydrophobicContact CE-CE1 3.93Å; M524-Y526 HydrophobicContact CE-CG 4.12Å; M524-Y526 HydrophobicContact CG-CD1 4.01Å; M524-Y526 HydrophobicContact CG-CD2 3.96Å; M524-Y526 HydrophobicContact CG-CE1 3.68Å; M524-Y526 HydrophobicContact CG-CE2 3.58Å; M524-Y526 HydrophobicContact CG-CG 4.11Å; M524-Y526 WeakPolarHBondContact O-CE2 3.22Å; Y526-G528 VanDerWaalsContact C-N 3.32Å; Y526-G528 PolarHBondContact O-N 3.25Å; Y526-E531 WeakPolarHBondContact CA-OE2 3.18Å; Y526-E531 PolarHBondContact N-OE2 2.64Å; Y526-A554 CarbonylContact C-O 3.5Å; Y526-A554 WeakPolarHBondContact CA-O 3.34Å; Y526-I556 HydrophobicContact CD1-CB 4.24Å; Y526-I556 HydrophobicContact CD1-CD1 4.14Å; Y526-I556 HydrophobicContact CD1-CG1 4.46Å; Y526-I556 HydrophobicContact CG-CB 4.42Å; Y526-I556 HydrophobicContact CG-CD1 4.06Å; Y526-Y566 VanDerWaalsContact O-CE2 3.28Å; Y526-Y566 WeakPolarHBondContact O-CE2 3.35Å; Y526-Y566 PolarHBondContact O-OH 3.36Å
527	A	98.1	Very high	97.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.			trans	-92.3	19.5	-177.1	0	0	0	0	0	114.1	F386 M525 T530 E531 A554 Y566	F386-A527 HydrophobicContact CD1-CB 3.64Å; F386-A527 HydrophobicContact CE1-CB 3.96Å; M525-A527 VanDerWaalsContact C-N 3.28Å; M525-A527 HydrophobicContact CB-CB 4.42Å; M525-A527 PolarHBondContact O-N 3.12Å; A527-T530 WeakPolarHBondContact O-CB 3.47Å; A527-T530 PolarHBondContact O-N 2.86Å; A527-E531 HydrophobicContact CB-CB 3.79Å; A527-E531 PolarHBondContact N-OE2 3.3Å; A527-E531 PolarHBondContact O-N 3.26Å; A527-A554 PolarHBondContact N-O 3.38Å; A527-Y566 WeakPolarHBondContact CA-OH 3.43Å
528	G	97.5	Very high	97.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	51.8	-124.5	168.1	0	0	0	0	0	114.2	Y526 T530 E531 V532 P553 A554	Y526-G528 VanDerWaalsContact C-N 3.32Å; Y526-G528 PolarHBondContact O-N 3.25Å; G528-T530 PolarHBondContact O-N 2.91Å; G528-E531 PolarHBondContact O-N 2.92Å; G528-V532 PolarHBondContact O-N 3.16Å; G528-P553 CarbonylContact C-O 3.6Å; G528-P553 WeakPolarHBondContact CA-O 3.35Å; G528-A554 WeakPolarHBondContact CA-O 3.47Å; G528-A554 PolarHBondContact N-O 3.43Å
529	P	97.5	Very high	97.3	Very high	20 Å²	20	5.7 Å²	5.7	13%	0.13	3%	0.031	C	C	.	.	H	α-helix	trans	-58.9	-25.5	179.6	-23	33.1	0	0	0	115.6	V532 Q533 H570 V574	P529-V532 WeakPolarHBondContact O-CG1 3.31Å; P529-Q533 PolarHBondContact O-NE2 3.31Å; P529-Q533 VanDerWaalsContact O-NE2 3.11Å; P529-H570 HydrophobicContact CB-CB 4.43Å; P529-H570 HydrophobicContact CG-CB 3.64Å; P529-V574 HydrophobicContact CB-CB 4.34Å; P529-V574 HydrophobicContact CB-CG2 4.1Å
530	T	98.2	Very high	97	Very high	37 Å²	37	8 Å²	8	23%	0.227	4%	0.043	C	C	.	.	H	α-helix	trans	-72.7	-49.1	175.1	-55.1	0	0	0	0	110.1	S335 I336 Q385 A527 G528	S335-T530 WeakPolarHBondContact CB-O 3.41Å; S335-T530 WeakPolarHBondContact O-CG2 3.5Å; S335-T530 PolarHBondContact OG-O 3.05Å; I336-T530 HydrophobicContact CD1-CG2 3.89Å; Q385-T530 WeakPolarHBondContact O-CB 3.39Å; Q385-T530 PolarHBondContact O-OG1 3.27Å; A527-T530 WeakPolarHBondContact O-CB 3.47Å; A527-T530 PolarHBondContact O-N 2.86Å; G528-T530 PolarHBondContact O-N 2.91Å
531	E	98.2	Very high	96.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-76.9	-30	-174.1	175.6	174.9	-161.5	0	0	113.7	I336 M525 Y526 A527 G528 Q533 W534 H535 A554	I336-E531 HydrophobicContact CD1-CB 4.2Å; M525-E531 HydrophobicContact CE-CB 4.41Å; M525-E531 HydrophobicContact CE-CG 3.83Å; M525-E531 WeakPolarHBondContact CE-OE1 3.4Å; M525-E531 PolarHBondContact N-OE1 2.86Å; M525-E531 PolarHBondContact N-OE2 2.6Å; Y526-E531 WeakPolarHBondContact CA-OE2 3.18Å; Y526-E531 PolarHBondContact N-OE2 2.64Å; A527-E531 HydrophobicContact CB-CB 3.79Å; A527-E531 PolarHBondContact N-OE2 3.3Å; A527-E531 PolarHBondContact O-N 3.26Å; G528-E531 PolarHBondContact O-N 2.92Å; E531-Q533 PolarHBondContact O-N 3.21Å; E531-W534 WeakPolarHBondContact O-CA 3.33Å; E531-W534 WeakPolarHBondContact O-CB 3.26Å; E531-W534 PolarHBondContact O-N 3.17Å; E531-H535 WeakPolarHBondContact CG-NE2 3.28Å; E531-H535 PolarHBondContact O-N 3.41Å; E531-H535 IonicContact OE1-CE1 3.76Å; E531-H535 IonicContact OE1-NE2 2.67Å; E531-H535 PolarHBondContact OE1-NE2 3.34Å; E531-A554 HydrophobicContact CB-CB 3.92Å; E531-A554 HydrophobicContact CG-CB 3.9Å
532	V	96.8	Very high	96.5	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-60	-31.9	177.2	70.4	0	0	0	0	112.4	G528 P529 H535 A536 Y547 V549 P553 L575	G528-V532 PolarHBondContact O-N 3.16Å; P529-V532 WeakPolarHBondContact O-CG1 3.31Å; V532-H535 PolarHBondContact O-N 2.89Å; V532-A536 WeakPolarHBondContact O-CB 3.32Å; V532-A536 PolarHBondContact O-N 3.21Å; V532-Y547 HydrophobicContact CG2-CE1 4.47Å; V532-V549 HydrophobicContact CG2-CG2 3.94Å; V532-P553 HydrophobicContact CB-CB 4.13Å; V532-P553 HydrophobicContact CB-CG 4.1Å; V532-P553 HydrophobicContact CG1-CG 4.39Å; V532-P553 HydrophobicContact CG2-CB 3.64Å; V532-P553 HydrophobicContact CG2-CG 3.8Å; V532-L575 HydrophobicContact CG2-CD2 4.31Å
533	Q	97.2	Very high	96.1	Very high	23 Å²	23	8.7 Å²	8.7	11%	0.107	5%	0.049	C	C	.	.	H	α-helix	trans	-63.5	-46.1	172.9	-67	175.7	72.8	0	0	111.1	N333 P529 E531 H535 A536 R537 V574 L575 A578 L581	N333-Q533 PolarHBondContact ND2-OE1 3.08Å; P529-Q533 PolarHBondContact O-NE2 3.31Å; P529-Q533 VanDerWaalsContact O-NE2 3.11Å; E531-Q533 PolarHBondContact O-N 3.21Å; Q533-H535 PolarHBondContact O-N 3.41Å; Q533-A536 PolarHBondContact O-N 3.29Å; Q533-R537 VanDerWaalsContact O-CB 3.24Å; Q533-R537 WeakPolarHBondContact O-CB 3.49Å; Q533-R537 PolarHBondContact O-N 2.71Å; Q533-V574 HydrophobicContact CG-CG1 4.22Å; Q533-V574 VanDerWaalsContact NE2-CG1 3.31Å; Q533-L575 HydrophobicContact CG-CD1 4.2Å; Q533-A578 HydrophobicContact CG-CB 4.15Å; Q533-L581 HydrophobicContact CB-CD1 4.36Å
534	W	97.7	Very high	95.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.6	-45	174.7	163.1	-115.5	0	0	0	111.8	W275 V278 A284 S335 I336 I338 F520 S522 E531 A536 R537 S538	W275-W534 AromaticContact CH2-NE1 3.94Å; W275-W534 AromaticContact CZ3-CZ2 3.89Å; W275-W534 HydrophobicContact CZ3-CZ2 3.89Å; V278-W534 HydrophobicContact CG1-CH2 3.49Å; V278-W534 VanDerWaalsContact CG1-CH2 3.49Å; V278-W534 HydrophobicContact CG1-CZ2 3.46Å; V278-W534 VanDerWaalsContact CG1-CZ2 3.46Å; V278-W534 HydrophobicContact CG2-CZ2 4.49Å; A284-W534 HydrophobicContact CB-CH2 3.9Å; A284-W534 HydrophobicContact CB-CZ3 4.17Å; S335-W534 PolarHBondContact OG-N 3.31Å; I336-W534 HydrophobicContact CB-CB 4.12Å; I336-W534 HydrophobicContact CB-CG 4.17Å; I336-W534 HydrophobicContact CG1-CB 3.51Å; I336-W534 HydrophobicContact CG1-CG 3.89Å; I338-W534 HydrophobicContact CD1-CH2 3.76Å; I338-W534 HydrophobicContact CD1-CZ2 4.23Å; I338-W534 HydrophobicContact CD1-CZ3 4.1Å; F520-W534 HydrophobicContact CZ-CZ2 4.05Å; S522-W534 PolarHBondContact OG-NE1 2.96Å; E531-W534 WeakPolarHBondContact O-CA 3.33Å; E531-W534 WeakPolarHBondContact O-CB 3.26Å; E531-W534 PolarHBondContact O-N 3.17Å; W534-A536 VanDerWaalsContact C-N 3.34Å; W534-A536 PolarHBondContact O-N 3.16Å; W534-R537 PolarHBondContact O-N 2.61Å; W534-S538 VanDerWaalsContact CD2-OG 3.23Å; W534-S538 WeakPolarHBondContact CH2-OG 3.44Å; W534-S538 WeakPolarHBondContact CZ2-OG 3.28Å; W534-S538 WeakPolarHBondContact CZ3-OG 3.19Å; W534-S538 WeakPolarHBondContact O-CB 3.37Å; W534-S538 PolarHBondContact O-N 2.98Å; W534-S538 PolarHBondContact O-OG 2.96Å
535	H	97.1	Very high	95.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-48.1	177.1	-66.1	170.1	0	0	0	111.1	Q449 E531 V532 Q533 R539 Y547	Q449-H535 HydrophobicContact CG-CB 4.38Å; Q449-H535 WeakPolarHBondContact CG-ND1 3.48Å; Q449-H535 PolarHBondContact OE1-ND1 2.96Å; E531-H535 WeakPolarHBondContact CG-NE2 3.28Å; E531-H535 PolarHBondContact O-N 3.41Å; E531-H535 IonicContact OE1-CE1 3.76Å; E531-H535 IonicContact OE1-NE2 2.67Å; E531-H535 PolarHBondContact OE1-NE2 3.34Å; V532-H535 PolarHBondContact O-N 2.89Å; Q533-H535 PolarHBondContact O-N 3.41Å; H535-R539 WeakPolarHBondContact O-CD 3.5Å; H535-R539 PolarHBondContact O-NH1 3.25Å; H535-Y547 WeakPolarHBondContact CB-OH 3.4Å
536	A	95.4	Very high	94.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.5	-52.8	178.6	0	0	0	0	0	112.3	V532 Q533 W534 S538 R539 I540 Y547 L575 L584	V532-A536 WeakPolarHBondContact O-CB 3.32Å; V532-A536 PolarHBondContact O-N 3.21Å; Q533-A536 PolarHBondContact O-N 3.29Å; W534-A536 VanDerWaalsContact C-N 3.34Å; W534-A536 PolarHBondContact O-N 3.16Å; A536-S538 PolarHBondContact O-N 2.75Å; A536-R539 PolarHBondContact O-N 3.16Å; A536-R539 VanDerWaalsContact O-N 3.13Å; A536-I540 PolarHBondContact O-N 3.14Å; A536-Y547 HydrophobicContact CB-CD1 4.07Å; A536-Y547 HydrophobicContact CB-CD2 4.13Å; A536-Y547 HydrophobicContact CB-CE1 3.97Å; A536-Y547 HydrophobicContact CB-CE2 4.05Å; A536-Y547 HydrophobicContact CB-CG 4.13Å; A536-L575 HydrophobicContact CB-CD1 3.59Å; A536-L575 HydrophobicContact CB-CD2 4.08Å; A536-L575 HydrophobicContact CB-CG 4.45Å; A536-L584 HydrophobicContact CB-CD2 3.73Å
537	R	94.1	Very high	94.7	Very high	14 Å²	14	12 Å²	12	5%	0.053	6%	0.064	C	C	.	.	H	α-helix	trans	-54.3	-49.4	-179.9	-177.6	-90.6	-168.3	127.9	-11.4	111.9	A284 T285 N333 Q533 W534 R539 I540 L581	A284-R537 PolarHBondContact O-NH2 3.45Å; T285-R537 PolarHBondContact O-NH2 3.03Å; N333-R537 HydrophobicContact CB-CB 4.48Å; N333-R537 HydrophobicContact CB-CG 4.18Å; N333-R537 WeakPolarHBondContact O-CG 3.27Å; N333-R537 PolarHBondContact O-NE 3.44Å; N333-R537 PolarHBondContact O-NH1 2.88Å; Q533-R537 VanDerWaalsContact O-CB 3.24Å; Q533-R537 WeakPolarHBondContact O-CB 3.49Å; Q533-R537 PolarHBondContact O-N 2.71Å; W534-R537 PolarHBondContact O-N 2.61Å; R537-R539 PolarHBondContact O-N 2.93Å; R537-R539 VanDerWaalsContact O-N 3.09Å; R537-I540 VanDerWaalsContact O-CB 3.26Å; R537-I540 WeakPolarHBondContact O-CB 3.41Å; R537-I540 PolarHBondContact O-N 3.46Å; R537-L581 HydrophobicContact CB-CD2 3.76Å; R537-L581 HydrophobicContact CG-CD2 4.07Å
538	S	95.8	Very high	94.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-56.3	-34	-176.1	-56.5	0	0	0	0	111.5	W283 F520 W534 A536 I540 A541	W283-S538 VanDerWaalsContact CE3-O 3.27Å; F520-S538 VanDerWaalsContact CZ-CB 3.45Å; F520-S538 WeakPolarHBondContact CZ-OG 3.43Å; W534-S538 VanDerWaalsContact CD2-OG 3.23Å; W534-S538 WeakPolarHBondContact CH2-OG 3.44Å; W534-S538 WeakPolarHBondContact CZ2-OG 3.28Å; W534-S538 WeakPolarHBondContact CZ3-OG 3.19Å; W534-S538 WeakPolarHBondContact O-CB 3.37Å; W534-S538 PolarHBondContact O-N 2.98Å; W534-S538 PolarHBondContact O-OG 2.96Å; A536-S538 PolarHBondContact O-N 2.75Å; S538-I540 VanDerWaalsContact C-N 3.33Å; S538-A541 WeakPolarHBondContact O-CB 3.18Å; S538-A541 PolarHBondContact O-N 3.08Å
539	R	95	Very high	94.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-80.3	-16.2	-177.1	-69	155.5	175.5	76.7	2.2	112.9	H481 F520 H535 A536 R537 A541 A542 G543 I544	H481-R539 PolarHBondContact ND1-NE 3.42Å; H481-R539 PolarHBondContact ND1-NH2 3.21Å; H481-R539 PolarHBondContact O-NH2 2.9Å; F520-R539 VanDerWaalsContact CB-NH2 3.29Å; F520-R539 VanDerWaalsContact CD1-CZ 3.47Å; H535-R539 WeakPolarHBondContact O-CD 3.5Å; H535-R539 PolarHBondContact O-NH1 3.25Å; A536-R539 PolarHBondContact O-N 3.16Å; A536-R539 VanDerWaalsContact O-N 3.13Å; R537-R539 PolarHBondContact O-N 2.93Å; R537-R539 VanDerWaalsContact O-N 3.09Å; R539-A541 PolarHBondContact O-N 2.95Å; R539-A542 CarbonylContact O-C 3.5Å; R539-A542 WeakPolarHBondContact O-CA 3.42Å; R539-A542 WeakPolarHBondContact O-CB 3.42Å; R539-A542 PolarHBondContact O-N 3.26Å; R539-G543 PolarHBondContact O-N 2.95Å; R539-I544 HydrophobicContact CB-CD1 3.46Å; R539-I544 VanDerWaalsContact CB-CD1 3.46Å; R539-I544 HydrophobicContact CB-CG1 3.94Å; R539-I544 HydrophobicContact CB-CG2 4.15Å; R539-I544 WeakPolarHBondContact O-CG1 3.26Å; R539-I544 PolarHBondContact O-N 3.32Å
540	I	91.8	Very high	93.8	Very high	49 Å²	49	11.9 Å²	11.9	25%	0.251	7%	0.065	S	C	.	.	H	α-helix	trans	-58.5	-35.9	165.8	-60.3	176.6	0	0	0	109.4	A536 R537 S538 A542 G543 L581 L584	A536-I540 PolarHBondContact O-N 3.14Å; R537-I540 VanDerWaalsContact O-CB 3.26Å; R537-I540 WeakPolarHBondContact O-CB 3.41Å; R537-I540 PolarHBondContact O-N 3.46Å; S538-I540 VanDerWaalsContact C-N 3.33Å; I540-A542 PolarHBondContact O-N 2.97Å; I540-G543 WeakPolarHBondContact O-CA 3.31Å; I540-G543 PolarHBondContact O-N 3.4Å; I540-L581 HydrophobicContact CD1-CD2 3.5Å; I540-L581 VanDerWaalsContact CD1-CD2 3.5Å; I540-L584 HydrophobicContact CD1-CB 4.27Å; I540-L584 HydrophobicContact CD1-CD2 4.45Å; I540-L584 HydrophobicContact CG1-CD1 4.28Å; I540-L584 HydrophobicContact CG1-CD2 4.48Å
541	A	92	Very high	93.3	Very high	6 Å²	6	17.7 Å²	17.7	5%	0.05	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-33.2	173.2	0	0	0	0	0	111.9	V242 T285 P430 R434 S538 R539 G543	V242-A541 HydrophobicContact CG2-CB 4.32Å; T285-A541 HydrophobicContact CG2-CB 4.13Å; P430-A541 HydrophobicContact CB-CB 4.09Å; P430-A541 WeakPolarHBondContact CB-O 3.15Å; P430-A541 HydrophobicContact CG-CB 4.18Å; R434-A541 PolarHBondContact NE-O 2.66Å; R434-A541 PolarHBondContact NH2-O 2.84Å; S538-A541 WeakPolarHBondContact O-CB 3.18Å; S538-A541 PolarHBondContact O-N 3.08Å; R539-A541 PolarHBondContact O-N 2.95Å; A541-G543 PolarHBondContact O-N 3.29Å
542	A	93.4	Very high	93	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-0.4	173.8	0	0	0	0	0	113.8	W283 L433 F437 L479 R539 I540	W283-A542 HydrophobicContact CH2-CB 4.1Å; W283-A542 HydrophobicContact CZ3-CB 3.88Å; L433-A542 HydrophobicContact CB-CB 4.24Å; L433-A542 HydrophobicContact CD1-CB 3.82Å; F437-A542 WeakPolarHBondContact CE2-O 3.39Å; L479-A542 HydrophobicContact CD2-CB 4.21Å; R539-A542 CarbonylContact O-C 3.5Å; R539-A542 WeakPolarHBondContact O-CA 3.42Å; R539-A542 WeakPolarHBondContact O-CB 3.42Å; R539-A542 PolarHBondContact O-N 3.26Å; I540-A542 PolarHBondContact O-N 2.97Å
543	G	90	Very high	92.9	Very high	8 Å²	8	21 Å²	21	8%	0.082	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	28.5	177.5	0	0	0	0	0	114.5	R539 I540 A541 Q545	R539-G543 PolarHBondContact O-N 2.95Å; I540-G543 WeakPolarHBondContact O-CA 3.31Å; I540-G543 PolarHBondContact O-N 3.4Å; A541-G543 PolarHBondContact O-N 3.29Å; G543-Q545 PolarHBondContact O-NE2 2.92Å; G543-Q545 PolarHBondContact O-OE1 3.45Å
544	I	91.8	Very high	92.8	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.041	10%	0.102	C	C	.	.			trans	-75.8	146.7	172.5	77.3	167.8	0	0	0	111.6	V445 A447 L479 R539 Y547 L584	V445-I544 HydrophobicContact CG1-CG2 3.92Å; A447-I544 HydrophobicContact CB-CD1 3.97Å; A447-I544 HydrophobicContact CB-CG2 4.16Å; L479-I544 HydrophobicContact CD2-CG2 4.09Å; R539-I544 HydrophobicContact CB-CD1 3.46Å; R539-I544 VanDerWaalsContact CB-CD1 3.46Å; R539-I544 HydrophobicContact CB-CG1 3.94Å; R539-I544 HydrophobicContact CB-CG2 4.15Å; R539-I544 WeakPolarHBondContact O-CG1 3.26Å; R539-I544 PolarHBondContact O-N 3.32Å; I544-Y547 HydrophobicContact CD1-CD2 3.72Å; I544-L584 HydrophobicContact CD1-CD1 3.75Å; I544-L584 HydrophobicContact CG1-CD1 3.71Å
545	Q	85.5	Confident	92.7	Very high	72 Å²	72	21.1 Å²	21.1	34%	0.336	11%	0.108	S	C	.	.			trans	-112.4	-22.2	172.7	-61.3	74.6	25	0	0	112	V445 G543 H585	V445-Q545 PolarHBondContact O-N 2.81Å; V445-Q545 PolarHBondContact O-OE1 3.32Å; G543-Q545 PolarHBondContact O-NE2 2.92Å; G543-Q545 PolarHBondContact O-OE1 3.45Å; Q545-H585 WeakPolarHBondContact O-CB 3.03Å; Q545-H585 PolarHBondContact O-CD2 3.25Å; Q545-H585 PolarHBondContact O-N 2.94Å
546	H	91.2	Very high	92.6	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.056	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.3	-178.3	-47.9	-94.5	0	0	0	111.3	V445 F446 A447 L469 H473 H585 L587	V445-H546 PolarHBondContact O-N 2.94Å; F446-H546 WeakPolarHBondContact CA-O 3.49Å; F446-H546 HydrophobicContact CB-CB 3.74Å; A447-H546 PolarHBondContact N-O 3.12Å; A447-H546 VanDerWaalsContact N-O 3.08Å; L469-H546 VanDerWaalsContact CD2-CE1 3.43Å; L469-H546 WeakPolarHBondContact CD2-CE1 3.41Å; H473-H546 AromaticContact NE2-NE2 3.75Å; H546-H585 WeakPolarHBondContact CA-O 3.49Å; H546-H585 HydrophobicContact CB-CB 4.45Å; H546-H585 WeakPolarHBondContact ND1-CB 3.41Å; H546-H585 AromaticContact ND1-CG 3.86Å; H546-L587 HydrophobicContact CB-CD1 4.02Å; H546-L587 HydrophobicContact CB-CG 4.47Å
547	Y	94	Very high	92.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.7	-178.9	-169.1	-94.4	0	0	0	111	A447 Q449 V532 H535 A536 I544 V549 L575 L584 H585 L587	A447-Y547 HydrophobicContact CB-CD2 4.25Å; Q449-Y547 VanDerWaalsContact CB-OH 3.25Å; Q449-Y547 WeakPolarHBondContact CB-OH 3.2Å; V532-Y547 HydrophobicContact CG2-CE1 4.47Å; H535-Y547 WeakPolarHBondContact CB-OH 3.4Å; A536-Y547 HydrophobicContact CB-CD1 4.07Å; A536-Y547 HydrophobicContact CB-CD2 4.13Å; A536-Y547 HydrophobicContact CB-CE1 3.97Å; A536-Y547 HydrophobicContact CB-CE2 4.05Å; A536-Y547 HydrophobicContact CB-CG 4.13Å; I544-Y547 HydrophobicContact CD1-CD2 3.72Å; Y547-V549 HydrophobicContact CD1-CB 4.29Å; Y547-V549 HydrophobicContact CE1-CB 4.27Å; Y547-L575 HydrophobicContact CD1-CD2 3.64Å; Y547-L575 HydrophobicContact CE1-CD2 3.84Å; Y547-L584 HydrophobicContact CG-CD2 4.28Å; Y547-H585 PolarHBondContact N-O 3.36Å; Y547-L587 PolarHBondContact O-N 3.2Å
548	I	93.7	Very high	92.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.2	173	-54.7	171	0	0	0	107.1	F446 A447 F448 M462 T465 L587	F446-I548 HydrophobicContact CD2-CD1 3.88Å; F446-I548 HydrophobicContact CD2-CG1 4.48Å; F446-I548 HydrophobicContact CE2-CD1 4.17Å; A447-I548 PolarHBondContact O-N 3.39Å; F448-I548 HydrophobicContact CB-CB 4.22Å; F448-I548 HydrophobicContact CB-CD1 4.34Å; F448-I548 HydrophobicContact CD2-CB 3.78Å; F448-I548 HydrophobicContact CD2-CG2 3.62Å; F448-I548 WeakPolarHBondContact CD2-O 3.2Å; F448-I548 HydrophobicContact CE2-CG2 4.08Å; F448-I548 HydrophobicContact CG-CB 4.42Å; F448-I548 HydrophobicContact CG-CG2 4.47Å; M462-I548 HydrophobicContact CG-CD1 4.17Å; T465-I548 HydrophobicContact CG2-CD1 3.79Å; T465-I548 HydrophobicContact CG2-CG1 3.96Å; T465-I548 VanDerWaalsContact OG1-CD1 3.23Å; T465-I548 WeakPolarHBondContact OG1-CD1 3.48Å; I548-L587 HydrophobicContact CG1-CD1 4.39Å
549	V	92	Very high	92.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.167	C	C	.	.			trans	-105.7	131.5	174.1	60.9	0	0	0	0	109.7	V532 Y547 P553 A572 L575 I586 F589	V532-V549 HydrophobicContact CG2-CG2 3.94Å; Y547-V549 HydrophobicContact CD1-CB 4.29Å; Y547-V549 HydrophobicContact CE1-CB 4.27Å; V549-P553 HydrophobicContact CG2-CB 3.94Å; V549-P553 HydrophobicContact CG2-CG 3.74Å; V549-A572 HydrophobicContact CB-CB 4.49Å; V549-A572 HydrophobicContact CG1-CB 3.65Å; V549-A572 HydrophobicContact CG2-CB 4.01Å; V549-L575 HydrophobicContact CB-CD2 4.13Å; V549-L575 HydrophobicContact CG2-CD2 4.3Å; V549-I586 HydrophobicContact CG1-CG2 3.71Å; V549-F589 VanDerWaalsContact O-CB 3.27Å; V549-F589 WeakPolarHBondContact O-CB 3.46Å
550	G	87.9	Confident	92.2	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	21%	0.207	C	C	.	.			trans	-82.1	177.3	178.5	0	0	0	0	0	113.9	P553	G550-P553 WeakPolarHBondContact O-CD 3.49Å
551	R	88.3	Confident	92.3	Very high	159 Å²	159	36.3 Å²	36.3	60%	0.6	20%	0.204	S	C	*	.	S	Bend	trans	-73	140.1	161.7	-176.8	177.3	-176.7	178.2	-0.4	109.9	T568 F589	R551-T568 PolarHBondContact NE-OG1 3.06Å; R551-T568 VanDerWaalsContact NE-OG1 3.1Å; R551-T568 PolarHBondContact NH2-OG1 3.04Å; R551-F589 HydrophobicContact CB-CD1 4.17Å; R551-F589 HydrophobicContact CB-CE1 3.96Å
552	D	92.2	Very high	92.1	Very high	49 Å²	49	41.3 Å²	41.3	26%	0.262	24%	0.236	S	C	.	.	S	Bend	trans	50.3	49.2	-178.2	-161.9	29.8	0	0	0	113.1	A554 G555 T568	D552-A554 PolarHBondContact O-N 3.49Å; D552-G555 PolarHBondContact O-N 2.79Å; D552-G555 VanDerWaalsContact O-N 3.14Å; D552-T568 WeakPolarHBondContact CA-O 3.3Å; D552-T568 HydrophobicContact CB-CG2 4Å; D552-T568 PolarHBondContact N-O 2.9Å
553	P	93.8	Very high	92.2	Very high	20 Å²	20	46.2 Å²	46.2	13%	0.13	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	135.7	-174.1	33.5	-35.9	0	0	0	109.6	G528 V532 V549 G550 G555	G528-P553 CarbonylContact C-O 3.6Å; G528-P553 WeakPolarHBondContact CA-O 3.35Å; V532-P553 HydrophobicContact CB-CB 4.13Å; V532-P553 HydrophobicContact CB-CG 4.1Å; V532-P553 HydrophobicContact CG1-CG 4.39Å; V532-P553 HydrophobicContact CG2-CB 3.64Å; V532-P553 HydrophobicContact CG2-CG 3.8Å; V549-P553 HydrophobicContact CG2-CB 3.94Å; V549-P553 HydrophobicContact CG2-CG 3.74Å; G550-P553 WeakPolarHBondContact O-CD 3.49Å; P553-G555 PolarHBondContact O-N 3.15Å
554	A	95.9	Very high	92.4	Very high	13 Å²	13	47.6 Å²	47.6	11%	0.107	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	17.3	-172.9	0	0	0	0	0	115.2	M524 Y526 A527 G528 E531 D552	M524-A554 VanDerWaalsContact CE-CA 3.43Å; M524-A554 HydrophobicContact CE-CB 3.91Å; Y526-A554 CarbonylContact C-O 3.5Å; Y526-A554 WeakPolarHBondContact CA-O 3.34Å; A527-A554 PolarHBondContact N-O 3.38Å; G528-A554 WeakPolarHBondContact CA-O 3.47Å; G528-A554 PolarHBondContact N-O 3.43Å; E531-A554 HydrophobicContact CB-CB 3.92Å; E531-A554 HydrophobicContact CG-CB 3.9Å; D552-A554 PolarHBondContact O-N 3.49Å
555	G	95.7	Very high	92.7	Very high	14 Å²	14	49 Å²	49	14%	0.144	28%	0.281	C	S	.	.			trans	-81.6	172.6	-177.1	0	0	0	0	0	114.6	D552 P553	D552-G555 PolarHBondContact O-N 2.79Å; D552-G555 VanDerWaalsContact O-N 3.14Å; P553-G555 PolarHBondContact O-N 3.15Å
556	I	95.4	Very high	93.3	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.118	27%	0.27	C	S	.	.			trans	-150.1	159.3	174.7	-167.2	167.6	0	0	0	109.7	P394 K488 Y526 L565 Y566	P394-I556 HydrophobicContact CG-CD1 4.1Å; K488-I556 HydrophobicContact CD-CD1 4.09Å; Y526-I556 HydrophobicContact CD1-CB 4.24Å; Y526-I556 HydrophobicContact CD1-CD1 4.14Å; Y526-I556 HydrophobicContact CD1-CG1 4.46Å; Y526-I556 HydrophobicContact CG-CB 4.42Å; Y526-I556 HydrophobicContact CG-CD1 4.06Å; I556-L565 HydrophobicContact CG2-CB 4.14Å; I556-L565 HydrophobicContact CG2-CD2 3.9Å; I556-L565 VanDerWaalsContact O-CB 3.32Å; I556-L565 WeakPolarHBondContact O-CB 3.32Å; I556-L565 PolarHBondContact O-N 3.44Å; I556-Y566 HydrophobicContact CG2-CE2 4.38Å
557	Q	94.7	Very high	93.5	Very high	119 Å²	119	50.3 Å²	50.3	56%	0.556	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-66	145	169.9	-69.6	-179.8	-43.1	0	0	110.9	D563	Q557-D563 CarbonylContact C-O 3.58Å; Q557-D563 WeakPolarHBondContact CA-O 3.45Å
558	K	94.5	Very high	93.5	Very high	110 Å²	110	51.2 Å²	51.2	48%	0.478	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64.1	128.7	172.9	-179.4	176	-178.5	177.4	0	108.9	G560 S561 D563 L565	K558-G560 PolarHBondContact O-N 3.33Å; K558-S561 PolarHBondContact O-N 2.92Å; K558-D563 PolarHBondContact N-O 2.81Å; K558-L565 HydrophobicContact CB-CB 4.38Å; K558-L565 HydrophobicContact CB-CD1 4.43Å; K558-L565 HydrophobicContact CG-CD1 4.3Å
559	P	92.5	Very high	93.5	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.143	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	126.7	-179	-27.7	34.8	0	0	0	113.4	D390 R392 H393 S561	D390-P559 HydrophobicContact CB-CG 4.39Å; R392-P559 HydrophobicContact CB-CB 3.59Å; R392-P559 HydrophobicContact CB-CG 4.03Å; R392-P559 PolarHBondContact NH2-O 2.79Å; H393-P559 HydrophobicContact CB-CG 4.46Å; P559-S561 VanDerWaalsContact C-N 3.27Å; P559-S561 PolarHBondContact O-N 2.82Å
560	G	91.2	Very high	93.7	Very high	80 Å²	80	57.7 Å²	57.7	83%	0.825	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	10.6	-177.7	0	0	0	0	0	115.3	K558	K558-G560 PolarHBondContact O-N 3.33Å
561	S	92.7	Very high	94	Very high	29 Å²	29	57.2 Å²	57.2	20%	0.203	32%	0.32	C	S	.	.	S	Bend	trans	-130.5	149	174	170.6	0	0	0	0	110.8	K558 P559 D563	K558-S561 PolarHBondContact O-N 2.92Å; P559-S561 VanDerWaalsContact C-N 3.27Å; P559-S561 PolarHBondContact O-N 2.82Å; S561-D563 PolarHBondContact O-N 2.82Å; S561-D563 WeakPolarHBondContact OG-CB 3.43Å; S561-D563 VanDerWaalsContact OG-CG 3.32Å; S561-D563 PolarHBondContact OG-N 2.87Å; S561-D563 PolarHBondContact OG-OD2 3.45Å
562	P	88.7	Confident	94.2	Very high	110 Å²	110	51 Å²	51	71%	0.714	30%	0.302	S	S	*	.	S	Bend	trans	-69.1	-14.5	169.6	32.8	-40.4	0	0	0	113.6
563	D	94	Very high	94.3	Very high	103 Å²	103	54 Å²	54	55%	0.551	31%	0.313	S	S	*	.	S	Bend	trans	-73.8	156.8	-175.3	-57.4	-40.7	0	0	0	112.3	Q557 K558 S561	Q557-D563 CarbonylContact C-O 3.58Å; Q557-D563 WeakPolarHBondContact CA-O 3.45Å; K558-D563 PolarHBondContact N-O 2.81Å; S561-D563 PolarHBondContact O-N 2.82Å; S561-D563 WeakPolarHBondContact OG-CB 3.43Å; S561-D563 VanDerWaalsContact OG-CG 3.32Å; S561-D563 PolarHBondContact OG-N 2.87Å; S561-D563 PolarHBondContact OG-OD2 3.45Å
564	A	95.4	Very high	94.3	Very high	37 Å²	37	54.8 Å²	54.8	31%	0.306	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-67.9	142.5	168.1	0	0	0	0	0	110.5	Y566 T568	A564-Y566 VanDerWaalsContact C-N 3.34Å; A564-Y566 VanDerWaalsContact CB-O 3.24Å; A564-Y566 WeakPolarHBondContact CB-O 3.47Å; A564-T568 HydrophobicContact CB-CG2 3.9Å
565	L	97.5	Very high	94.1	Very high	39 Å²	39	54.4 Å²	54.4	20%	0.204	31%	0.313	C	S	.	.	S	Bend	trans	-65.9	-40.9	174.7	177.6	60.4	0	0	0	111.2	T388 I556 K558	T388-L565 HydrophobicContact CG2-CD1 4.41Å; T388-L565 HydrophobicContact CG2-CD2 3.85Å; I556-L565 HydrophobicContact CG2-CB 4.14Å; I556-L565 HydrophobicContact CG2-CD2 3.9Å; I556-L565 VanDerWaalsContact O-CB 3.32Å; I556-L565 WeakPolarHBondContact O-CB 3.32Å; I556-L565 PolarHBondContact O-N 3.44Å; K558-L565 HydrophobicContact CB-CB 4.38Å; K558-L565 HydrophobicContact CB-CD1 4.43Å; K558-L565 HydrophobicContact CG-CD1 4.3Å
566	Y	97.7	Very high	93.7	Very high	31 Å²	31	57.9 Å²	57.9	12%	0.122	34%	0.336	C	S	.	.	S	Bend	trans	-105.3	153.9	176.9	-46.2	-76.7	0	0	0	110	F386 Y526 A527 I556 A564 T568	F386-Y566 VanDerWaalsContact O-CE1 3.26Å; F386-Y566 WeakPolarHBondContact O-CE1 3.46Å; F386-Y566 PolarHBondContact O-OH 3.16Å; F386-Y566 VanDerWaalsContact O-OH 3.09Å; Y526-Y566 VanDerWaalsContact O-CE2 3.28Å; Y526-Y566 WeakPolarHBondContact O-CE2 3.35Å; Y526-Y566 PolarHBondContact O-OH 3.36Å; A527-Y566 WeakPolarHBondContact CA-OH 3.43Å; I556-Y566 HydrophobicContact CG2-CE2 4.38Å; A564-Y566 VanDerWaalsContact C-N 3.34Å; A564-Y566 VanDerWaalsContact CB-O 3.24Å; A564-Y566 WeakPolarHBondContact CB-O 3.47Å; Y566-T568 PolarHBondContact O-N 3.2Å
567	E	96.6	Very high	93.5	Very high	79 Å²	79	63.4 Å²	63.4	37%	0.369	36%	0.363	S	S	.	.			trans	-66.2	126.5	169.4	-163.6	-63.9	116.3	0	0	109.1	T569 H570	E567-T569 PolarHBondContact O-N 3.21Å; E567-T569 PolarHBondContact OE1-N 3.26Å; E567-T569 VanDerWaalsContact OE2-CA 3.32Å; E567-T569 WeakPolarHBondContact OE2-CA 3.46Å; E567-T569 VanDerWaalsContact OE2-CB 3.3Å; E567-T569 WeakPolarHBondContact OE2-CB 3.38Å; E567-T569 PolarHBondContact OE2-N 3.37Å; E567-T569 PolarHBondContact OE2-OG1 3.37Å; E567-H570 WeakPolarHBondContact O-CB 3.3Å; E567-H570 PolarHBondContact O-N 3.05Å; E567-H570 IonicContact OE2-CD2 3.66Å; E567-H570 PolarHBondContact OE2-CD2 3.34Å; E567-H570 IonicContact OE2-CG 2.71Å; E567-H570 PolarHBondContact OE2-N 2.48Å; E567-H570 IonicContact OE2-NE2 2.63Å
568	T	93.7	Very high	93.2	Very high	21 Å²	21	58.3 Å²	58.3	13%	0.129	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.7	-166.4	62.1	0	0	0	0	115.8	R551 D552 A564 Y566	R551-T568 PolarHBondContact NE-OG1 3.06Å; R551-T568 VanDerWaalsContact NE-OG1 3.1Å; R551-T568 PolarHBondContact NH2-OG1 3.04Å; D552-T568 WeakPolarHBondContact CA-O 3.3Å; D552-T568 HydrophobicContact CB-CG2 4Å; D552-T568 PolarHBondContact N-O 2.9Å; A564-T568 HydrophobicContact CB-CG2 3.9Å; Y566-T568 PolarHBondContact O-N 3.2Å
569	T	93.4	Very high	92.8	Very high	53 Å²	53	56.1 Å²	56.1	33%	0.325	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-12.8	175.8	74.1	0	0	0	0	113.5	E567 G571 A572 K573	E567-T569 PolarHBondContact O-N 3.21Å; E567-T569 PolarHBondContact OE1-N 3.26Å; E567-T569 VanDerWaalsContact OE2-CA 3.32Å; E567-T569 WeakPolarHBondContact OE2-CA 3.46Å; E567-T569 VanDerWaalsContact OE2-CB 3.3Å; E567-T569 WeakPolarHBondContact OE2-CB 3.38Å; E567-T569 PolarHBondContact OE2-N 3.37Å; E567-T569 PolarHBondContact OE2-OG1 3.37Å; T569-G571 VanDerWaalsContact C-N 3.3Å; T569-G571 PolarHBondContact O-N 2.78Å; T569-A572 PolarHBondContact O-N 3.43Å; T569-K573 WeakPolarHBondContact O-CG 3.49Å; T569-K573 PolarHBondContact O-N 3.12Å; T569-K573 VanDerWaalsContact O-N 3.15Å; T569-K573 VanDerWaalsContact OG1-CE 3.23Å; T569-K573 WeakPolarHBondContact OG1-CE 3.48Å; T569-K573 PolarHBondContact OG1-NZ 2.77Å
570	H	96.1	Very high	92.3	Very high	88 Å²	88	56.9 Å²	56.9	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-39.3	-176.3	-77.6	-170.8	0	0	0	112.5	P529 E567 A572 K573 V574	P529-H570 HydrophobicContact CB-CB 4.43Å; P529-H570 HydrophobicContact CG-CB 3.64Å; E567-H570 WeakPolarHBondContact O-CB 3.3Å; E567-H570 PolarHBondContact O-N 3.05Å; E567-H570 IonicContact OE2-CD2 3.66Å; E567-H570 PolarHBondContact OE2-CD2 3.34Å; E567-H570 IonicContact OE2-CG 2.71Å; E567-H570 PolarHBondContact OE2-N 2.48Å; E567-H570 IonicContact OE2-NE2 2.63Å; H570-A572 PolarHBondContact O-N 3.18Å; H570-K573 PolarHBondContact O-N 3.48Å; H570-V574 WeakPolarHBondContact O-CB 3.31Å; H570-V574 VanDerWaalsContact O-CG2 3.29Å; H570-V574 WeakPolarHBondContact O-CG2 3.24Å; H570-V574 PolarHBondContact O-N 3.49Å
571	G	94.8	Very high	92	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-59.9	-43.5	-179.6	0	0	0	0	0	113.3	T569 L575	T569-G571 VanDerWaalsContact C-N 3.3Å; T569-G571 PolarHBondContact O-N 2.78Å; G571-L575 VanDerWaalsContact O-CB 3.27Å; G571-L575 WeakPolarHBondContact O-CB 3.26Å; G571-L575 PolarHBondContact O-N 2.96Å; G571-L575 VanDerWaalsContact O-N 3.08Å
572	A	92.2	Very high	90.8	Very high	28 Å²	28	57.9 Å²	57.9	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-67.6	-41.4	175.9	0	0	0	0	0	112.4	V549 T569 H570 L575 S576	V549-A572 HydrophobicContact CB-CB 4.49Å; V549-A572 HydrophobicContact CG1-CB 3.65Å; V549-A572 HydrophobicContact CG2-CB 4.01Å; T569-A572 PolarHBondContact O-N 3.43Å; H570-A572 PolarHBondContact O-N 3.18Å; A572-L575 PolarHBondContact O-N 2.71Å; A572-S576 PolarHBondContact O-N 3.01Å; A572-S576 VanDerWaalsContact O-N 3.14Å
573	K	93.4	Very high	89.9	Confident	114 Å²	114	56.5 Å²	56.5	50%	0.496	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-49.5	178.9	-70.5	170.6	175.2	164.9	0	111.8	T569 H570 L575 S576 M577	T569-K573 WeakPolarHBondContact O-CG 3.49Å; T569-K573 PolarHBondContact O-N 3.12Å; T569-K573 VanDerWaalsContact O-N 3.15Å; T569-K573 VanDerWaalsContact OG1-CE 3.23Å; T569-K573 WeakPolarHBondContact OG1-CE 3.48Å; T569-K573 PolarHBondContact OG1-NZ 2.77Å; H570-K573 PolarHBondContact O-N 3.48Å; K573-L575 VanDerWaalsContact C-N 3.33Å; K573-L575 PolarHBondContact O-N 3.39Å; K573-S576 PolarHBondContact O-N 3.48Å; K573-S576 PolarHBondContact O-OG 2.85Å; K573-M577 WeakPolarHBondContact O-CG 3.41Å
574	V	93.9	Very high	89.3	Confident	36 Å²	36	52.1 Å²	52.1	22%	0.218	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-46.4	177.7	170.1	0	0	0	0	110.2	P529 Q533 H570 S576 M577 A578	P529-V574 HydrophobicContact CB-CB 4.34Å; P529-V574 HydrophobicContact CB-CG2 4.1Å; Q533-V574 HydrophobicContact CG-CG1 4.22Å; Q533-V574 VanDerWaalsContact NE2-CG1 3.31Å; H570-V574 WeakPolarHBondContact O-CB 3.31Å; H570-V574 VanDerWaalsContact O-CG2 3.29Å; H570-V574 WeakPolarHBondContact O-CG2 3.24Å; H570-V574 PolarHBondContact O-N 3.49Å; V574-S576 VanDerWaalsContact C-N 3.26Å; V574-S576 PolarHBondContact O-N 3.46Å; V574-M577 HydrophobicContact CB-CE 4.47Å; V574-M577 HydrophobicContact CG2-CE 4.01Å; V574-M577 CarbonylContact O-C 3.12Å; V574-M577 WeakPolarHBondContact O-CG 3.4Å; V574-M577 PolarHBondContact O-N 3.15Å; V574-A578 WeakPolarHBondContact O-CB 3.2Å; V574-A578 PolarHBondContact O-N 3.25Å
575	L	91.7	Very high	88.8	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-36.2	179.5	-170.1	66	0	0	0	112.8	V532 Q533 A536 Y547 V549 G571 A572 K573 M577 A578 L581 I586	V532-L575 HydrophobicContact CG2-CD2 4.31Å; Q533-L575 HydrophobicContact CG-CD1 4.2Å; A536-L575 HydrophobicContact CB-CD1 3.59Å; A536-L575 HydrophobicContact CB-CD2 4.08Å; A536-L575 HydrophobicContact CB-CG 4.45Å; Y547-L575 HydrophobicContact CD1-CD2 3.64Å; Y547-L575 HydrophobicContact CE1-CD2 3.84Å; V549-L575 HydrophobicContact CB-CD2 4.13Å; V549-L575 HydrophobicContact CG2-CD2 4.3Å; G571-L575 VanDerWaalsContact O-CB 3.27Å; G571-L575 WeakPolarHBondContact O-CB 3.26Å; G571-L575 PolarHBondContact O-N 2.96Å; G571-L575 VanDerWaalsContact O-N 3.08Å; A572-L575 PolarHBondContact O-N 2.71Å; K573-L575 VanDerWaalsContact C-N 3.33Å; K573-L575 PolarHBondContact O-N 3.39Å; L575-M577 PolarHBondContact O-N 3.41Å; L575-A578 PolarHBondContact O-N 2.92Å; L575-L581 HydrophobicContact CD1-CD1 3.61Å; L575-I586 HydrophobicContact CD1-CD1 4.37Å; L575-I586 HydrophobicContact CD2-CD1 3.62Å; L575-I586 HydrophobicContact CD2-CG1 4.28Å; L575-I586 HydrophobicContact CD2-CG2 4.14Å; L575-I586 HydrophobicContact CG-CD1 3.6Å; L575-I586 HydrophobicContact CG-CG1 3.99Å; L575-I586 HydrophobicContact CG-CG2 4.45Å
576	S	87.8	Confident	88.2	Confident	88 Å²	88	55.7 Å²	55.7	62%	0.615	33%	0.328	S	S	*	.	H	α-helix	trans	-69.1	-14.4	178.4	74.8	0	0	0	0	114.9	A572 K573 V574	A572-S576 PolarHBondContact O-N 3.01Å; A572-S576 VanDerWaalsContact O-N 3.14Å; K573-S576 PolarHBondContact O-N 3.48Å; K573-S576 PolarHBondContact O-OG 2.85Å; V574-S576 VanDerWaalsContact C-N 3.26Å; V574-S576 PolarHBondContact O-N 3.46Å
577	M	90.1	Very high	87.5	Confident	139 Å²	139	56.1 Å²	56.1	69%	0.685	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	11.1	180	65.4	-174.3	178.3	0	0	112.6	K573 V574 L575 P579	K573-M577 WeakPolarHBondContact O-CG 3.41Å; V574-M577 HydrophobicContact CB-CE 4.47Å; V574-M577 HydrophobicContact CG2-CE 4.01Å; V574-M577 CarbonylContact O-C 3.12Å; V574-M577 WeakPolarHBondContact O-CG 3.4Å; V574-M577 PolarHBondContact O-N 3.15Å; L575-M577 PolarHBondContact O-N 3.41Å; M577-P579 WeakPolarHBondContact O-CD 3.45Å
578	A	89.8	Confident	86.4	Confident	11 Å²	11	57.5 Å²	57.5	9%	0.091	35%	0.348	C	S	.	.			trans	-70.8	124.4	-174.4	0	0	0	0	0	110.7	Q533 V574 L575 L581	Q533-A578 HydrophobicContact CG-CB 4.15Å; V574-A578 WeakPolarHBondContact O-CB 3.2Å; V574-A578 PolarHBondContact O-N 3.25Å; L575-A578 PolarHBondContact O-N 2.92Å; A578-L581 HydrophobicContact CB-CB 4.31Å; A578-L581 HydrophobicContact CB-CD1 3.84Å; A578-L581 HydrophobicContact CB-CG 4.31Å; A578-L581 PolarHBondContact O-N 3.25Å
579	P	85.6	Confident	85.6	Confident	65 Å²	65	59.4 Å²	59.4	42%	0.422	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	145.3	173.2	-23.4	33.8	0	0	0	111.6	Q304 N333 M577 L581	Q304-P579 HydrophobicContact CG-CB 4.17Å; Q304-P579 VanDerWaalsContact NE2-CB 3.3Å; N333-P579 WeakPolarHBondContact CB-O 3.41Å; N333-P579 PolarHBondContact ND2-O 2.98Å; M577-P579 WeakPolarHBondContact O-CD 3.45Å; P579-L581 PolarHBondContact O-N 3.31Å
580	G	82.6	Confident	85.1	Confident	38 Å²	38	62.2 Å²	62.2	39%	0.392	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	2.5	-179.2	0	0	0	0	0	115.4
581	L	84	Confident	84.6	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.037	36%	0.357	C	S	.	.			trans	-117.5	16.1	177.1	-60.9	-178.4	0	0	0	113.5	N333 Q533 R537 I540 L575 A578 P579 A583 L584	N333-L581 HydrophobicContact CB-CD1 4.23Å; N333-L581 HydrophobicContact CB-CD2 3.84Å; N333-L581 HydrophobicContact CB-CG 3.72Å; Q533-L581 HydrophobicContact CB-CD1 4.36Å; R537-L581 HydrophobicContact CB-CD2 3.76Å; R537-L581 HydrophobicContact CG-CD2 4.07Å; I540-L581 HydrophobicContact CD1-CD2 3.5Å; I540-L581 VanDerWaalsContact CD1-CD2 3.5Å; L575-L581 HydrophobicContact CD1-CD1 3.61Å; A578-L581 HydrophobicContact CB-CB 4.31Å; A578-L581 HydrophobicContact CB-CD1 3.84Å; A578-L581 HydrophobicContact CB-CG 4.31Å; A578-L581 PolarHBondContact O-N 3.25Å; P579-L581 PolarHBondContact O-N 3.31Å; L581-A583 PolarHBondContact O-N 2.86Å; L581-L584 WeakPolarHBondContact O-CB 3.28Å; L581-L584 PolarHBondContact O-N 2.61Å
582	S	68.1	Low	84.4	Confident	122 Å²	122	61.6 Å²	61.6	85%	0.853	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.1	-176.7	52.8	0	0	0	0	114.2	L584	S582-L584 VanDerWaalsContact C-N 3.28Å
583	A	69.8	Low	84.4	Confident	82 Å²	82	60.3 Å²	60.3	68%	0.678	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-12	175.9	0	0	0	0	0	113.6	L581	L581-A583 PolarHBondContact O-N 2.86Å
584	L	81	Confident	84.5	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	33%	0.331	C	S	.	.	S	Bend	trans	-93.2	117.5	-178.1	-170.7	67.5	0	0	0	110.7	A536 I540 I544 Y547 L581 S582 I586	A536-L584 HydrophobicContact CB-CD2 3.73Å; I540-L584 HydrophobicContact CD1-CB 4.27Å; I540-L584 HydrophobicContact CD1-CD2 4.45Å; I540-L584 HydrophobicContact CG1-CD1 4.28Å; I540-L584 HydrophobicContact CG1-CD2 4.48Å; I544-L584 HydrophobicContact CD1-CD1 3.75Å; I544-L584 HydrophobicContact CG1-CD1 3.71Å; Y547-L584 HydrophobicContact CG-CD2 4.28Å; L581-L584 WeakPolarHBondContact O-CB 3.28Å; L581-L584 PolarHBondContact O-N 2.61Å; S582-L584 VanDerWaalsContact C-N 3.28Å; L584-I586 HydrophobicContact CB-CD1 4.29Å; L584-I586 HydrophobicContact CD2-CD1 3.72Å; L584-I586 HydrophobicContact CG-CD1 3.82Å; L584-I586 PolarHBondContact O-N 3.17Å; L584-I586 VanDerWaalsContact O-N 3.09Å
585	H	84.7	Confident	84.6	Confident	111 Å²	111	54.3 Å²	54.3	51%	0.514	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	101.8	176.7	-66.7	-97.9	0	0	0	110.4	Q545 H546 Y547 L587	Q545-H585 WeakPolarHBondContact O-CB 3.03Å; Q545-H585 PolarHBondContact O-CD2 3.25Å; Q545-H585 PolarHBondContact O-N 2.94Å; H546-H585 WeakPolarHBondContact CA-O 3.49Å; H546-H585 HydrophobicContact CB-CB 4.45Å; H546-H585 WeakPolarHBondContact ND1-CB 3.41Å; H546-H585 AromaticContact ND1-CG 3.86Å; Y547-H585 PolarHBondContact N-O 3.36Å; H585-L587 PolarHBondContact O-N 2.95Å
586	I	84.7	Confident	84.8	Confident	40 Å²	40	59.1 Å²	59.1	21%	0.205	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.7	177.1	-51	-49.5	0	0	0	109.5	V549 L575 L584	V549-I586 HydrophobicContact CG1-CG2 3.71Å; L575-I586 HydrophobicContact CD1-CD1 4.37Å; L575-I586 HydrophobicContact CD2-CD1 3.62Å; L575-I586 HydrophobicContact CD2-CG1 4.28Å; L575-I586 HydrophobicContact CD2-CG2 4.14Å; L575-I586 HydrophobicContact CG-CD1 3.6Å; L575-I586 HydrophobicContact CG-CG1 3.99Å; L575-I586 HydrophobicContact CG-CG2 4.45Å; L584-I586 HydrophobicContact CB-CD1 4.29Å; L584-I586 HydrophobicContact CD2-CD1 3.72Å; L584-I586 HydrophobicContact CG-CD1 3.82Å; L584-I586 PolarHBondContact O-N 3.17Å; L584-I586 VanDerWaalsContact O-N 3.09Å
587	L	82.9	Confident	85.1	Confident	41 Å²	41	59.9 Å²	59.9	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.4	179.4	-64.7	175.5	0	0	0	109.9	T465 H546 Y547 I548 H585	T465-L587 HydrophobicContact CG2-CD1 3.27Å; H546-L587 HydrophobicContact CB-CD1 4.02Å; H546-L587 HydrophobicContact CB-CG 4.47Å; Y547-L587 PolarHBondContact O-N 3.2Å; I548-L587 HydrophobicContact CG1-CD1 4.39Å; H585-L587 PolarHBondContact O-N 2.95Å
588	P	73.2	Confident	85.3	Confident	107 Å²	107	55.5 Å²	55.5	70%	0.695	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-67.6	139.8	-175	26.4	-33.6	0	0	0	111.7	R590	P588-R590 PolarHBondContact O-N 3.32Å
589	F	77.5	Confident	85.6	Confident	61 Å²	61	61 Å²	61	27%	0.268	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.4	128.3	173.9	-168	-110.8	0	0	0	111.6	L461 V549 R551 V591	L461-F589 HydrophobicContact CD1-CD2 3.84Å; L461-F589 HydrophobicContact CD1-CE2 3.21Å; L461-F589 HydrophobicContact CD1-CZ 3.92Å; L461-F589 HydrophobicContact CD2-CD2 4.2Å; L461-F589 HydrophobicContact CD2-CE2 4.33Å; L461-F589 HydrophobicContact CG-CE2 4.4Å; V549-F589 VanDerWaalsContact O-CB 3.27Å; V549-F589 WeakPolarHBondContact O-CB 3.46Å; R551-F589 HydrophobicContact CB-CD1 4.17Å; R551-F589 HydrophobicContact CB-CE1 3.96Å; F589-V591 HydrophobicContact CD1-CG2 4.11Å; F589-V591 HydrophobicContact CE1-CB 4.28Å; F589-V591 HydrophobicContact CE1-CG2 3.98Å
590	R	83	Confident	86.1	Confident	112 Å²	112	63.5 Å²	63.5	42%	0.423	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-98.5	125	161.1	-67	178.4	70	-174.4	6.1	108.5	L461 D464 P588 A592 F603	L461-R590 HydrophobicContact CD2-CB 4.44Å; L461-R590 WeakPolarHBondContact CD2-O 3.3Å; D464-R590 IonicContact OD1-NH1 3.85Å; D464-R590 PolarHBondContact OD1-NH1 2.92Å; P588-R590 PolarHBondContact O-N 3.32Å; R590-A592 PolarHBondContact O-N 3.38Å; R590-A592 VanDerWaalsContact O-N 3.09Å; R590-F603 HydrophobicContact CB-CD1 3.41Å; R590-F603 VanDerWaalsContact CB-CD1 3.41Å; R590-F603 HydrophobicContact CB-CE1 3.58Å; R590-F603 HydrophobicContact CB-CG 4.24Å; R590-F603 HydrophobicContact CB-CZ 4.48Å; R590-F603 HydrophobicContact CG-CD1 4.45Å; R590-F603 VanDerWaalsContact CZ-CD2 3.45Å
591	V	85.5	Confident	86.6	Confident	61 Å²	61	62.4 Å²	62.4	37%	0.37	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-60.7	121.4	178.2	-178.8	0	0	0	0	109	F589 F604	F589-V591 HydrophobicContact CD1-CG2 4.11Å; F589-V591 HydrophobicContact CE1-CB 4.28Å; F589-V591 HydrophobicContact CE1-CG2 3.98Å; V591-F604 HydrophobicContact CB-CB 4.09Å; V591-F604 HydrophobicContact CG1-CB 4.06Å; V591-F604 WeakPolarHBondContact O-CB 3.29Å; V591-F604 PolarHBondContact O-N 3.14Å
592	A	90.2	Very high	87.2	Confident	16 Å²	16	63.2 Å²	63.2	13%	0.132	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.8	170.8	0	0	0	0	0	109.2	L460 R590 M601 S602	L460-A592 HydrophobicContact CD2-CB 4.31Å; R590-A592 PolarHBondContact O-N 3.38Å; R590-A592 VanDerWaalsContact O-N 3.09Å; A592-M601 HydrophobicContact CB-CE 4.35Å; A592-S602 CarbonylContact C-O 3.5Å; A592-S602 WeakPolarHBondContact CA-O 3.41Å
593	A	93.1	Very high	88.4	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	164.3	178.7	0	0	0	0	0	109.8	D595 M601 S602 F604 F612	A593-D595 PolarHBondContact O-N 3.43Å; A593-M601 VanDerWaalsContact C-CE 3.46Å; A593-S602 PolarHBondContact N-O 3.44Å; A593-S602 PolarHBondContact O-N 3.01Å; A593-F604 HydrophobicContact CB-CB 4.45Å; A593-F604 HydrophobicContact CB-CD2 4.09Å; A593-F612 HydrophobicContact CB-CB 4.14Å; A593-F612 HydrophobicContact CB-CD1 3.81Å; A593-F612 HydrophobicContact CB-CG 4.39Å
594	Y	95.7	Very high	89.4	Confident	16 Å²	16	58.3 Å²	58.3	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.4	178.6	-176.3	-104.3	0	0	0	109.5	K596 K599 M601 F612 E613 I615 P631 E632 F634	Y594-K596 HydrophobicContact CD1-CG 4.17Å; Y594-K596 HydrophobicContact CE1-CG 4.32Å; Y594-K596 PolarHBondContact O-N 3.04Å; Y594-K599 WeakPolarHBondContact OH-CA 3.26Å; Y594-M601 HydrophobicContact CD2-SD 4.1Å; Y594-F612 CarbonylContact O-C 3.46Å; Y594-F612 WeakPolarHBondContact O-CA 3.4Å; Y594-E613 WeakPolarHBondContact CB-O 3.24Å; Y594-E613 PolarHBondContact N-O 2.82Å; Y594-E613 PolarHBondContact O-N 2.79Å; Y594-I615 HydrophobicContact CG-CD1 4.48Å; Y594-P631 HydrophobicContact CD1-CB 4.2Å; Y594-P631 HydrophobicContact CD2-CB 4.44Å; Y594-P631 HydrophobicContact CE1-CB 3.54Å; Y594-P631 HydrophobicContact CE1-CG 4.25Å; Y594-P631 HydrophobicContact CE2-CB 3.84Å; Y594-P631 WeakPolarHBondContact OH-CB 3.43Å; Y594-E632 WeakPolarHBondContact CE2-O 3.41Å; Y594-E632 PolarHBondContact OH-O 3.49Å; Y594-F634 HydrophobicContact CD2-CB 4.47Å
595	D	96.6	Very high	90	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.043	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.1	174.5	-177	-29.9	0	0	0	108.4	A593 T597 A598 K599 K600 R608 F612	A593-D595 PolarHBondContact O-N 3.43Å; D595-T597 VanDerWaalsContact C-N 3.25Å; D595-T597 PolarHBondContact O-N 3.3Å; D595-T597 WeakPolarHBondContact OD1-CA 3.37Å; D595-T597 WeakPolarHBondContact OD1-CB 3.14Å; D595-T597 PolarHBondContact OD1-N 2.65Å; D595-A598 HydrophobicContact CB-CB 4.07Å; D595-A598 PolarHBondContact O-N 3.18Å; D595-A598 PolarHBondContact OD1-N 3.07Å; D595-K599 WeakPolarHBondContact O-CA 3.29Å; D595-K599 PolarHBondContact O-N 2.77Å; D595-K600 PolarHBondContact N-O 2.87Å; D595-K600 PolarHBondContact O-N 2.81Å; D595-R608 IonicContact OD2-NH1 2.73Å; D595-F612 HydrophobicContact CB-CD1 4.28Å; D595-F612 HydrophobicContact CB-CE1 3.99Å
596	K	95.5	Very high	90.2	Very high	106 Å²	106	60.6 Å²	60.6	46%	0.461	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30	-176.9	-65.2	178	-68.6	174.8	0	112.1	Y594 E610 D611 E613	Y594-K596 HydrophobicContact CD1-CG 4.17Å; Y594-K596 HydrophobicContact CE1-CG 4.32Å; Y594-K596 PolarHBondContact O-N 3.04Å; K596-E610 WeakPolarHBondContact CE-O 3.32Å; K596-E610 PolarHBondContact NZ-O 3.46Å; K596-D611 WeakPolarHBondContact CB-O 3.43Å; K596-D611 VanDerWaalsContact CE-O 3.27Å; K596-D611 WeakPolarHBondContact CE-O 3.31Å; K596-D611 WeakPolarHBondContact CG-O 3.38Å; K596-D611 PolarHBondContact N-O 3.07Å; K596-E613 HydrophobicContact CD-CB 4.34Å; K596-E613 HydrophobicContact CG-CB 4.29Å
597	T	94.4	Very high	90.7	Very high	103 Å²	103	63.2 Å²	63.2	63%	0.632	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-44.1	-179.3	-57.2	0	0	0	0	110.4	D595	D595-T597 VanDerWaalsContact C-N 3.25Å; D595-T597 PolarHBondContact O-N 3.3Å; D595-T597 WeakPolarHBondContact OD1-CA 3.37Å; D595-T597 WeakPolarHBondContact OD1-CB 3.14Å; D595-T597 PolarHBondContact OD1-N 2.65Å
598	A	94	Very high	91.2	Very high	48 Å²	48	66.1 Å²	66.1	40%	0.397	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.6	179.4	0	0	0	0	0	114.2	D595 K600	D595-A598 HydrophobicContact CB-CB 4.07Å; D595-A598 PolarHBondContact O-N 3.18Å; D595-A598 PolarHBondContact OD1-N 3.07Å; A598-K600 VanDerWaalsContact C-N 3.29Å; A598-K600 HydrophobicContact CB-CD 4.43Å; A598-K600 HydrophobicContact CB-CG 3.95Å; A598-K600 PolarHBondContact O-N 3.47Å
599	K	95.3	Very high	92.1	Very high	126 Å²	126	67.9 Å²	67.9	55%	0.548	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	44.8	-176.3	-60.7	-176.8	176.8	-175.8	0	113.5	Y594 D595 E632	Y594-K599 WeakPolarHBondContact OH-CA 3.26Å; D595-K599 WeakPolarHBondContact O-CA 3.29Å; D595-K599 PolarHBondContact O-N 2.77Å; K599-E632 VanDerWaalsContact O-O 3.08Å
600	K	95.5	Very high	92.9	Very high	117 Å²	117	73.1 Å²	73.1	51%	0.509	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163.9	179.5	66.8	-177.4	-177.1	-179.2	0	111.3	D595 A598 S602	D595-K600 PolarHBondContact N-O 2.87Å; D595-K600 PolarHBondContact O-N 2.81Å; A598-K600 VanDerWaalsContact C-N 3.29Å; A598-K600 HydrophobicContact CB-CD 4.43Å; A598-K600 HydrophobicContact CB-CG 3.95Å; A598-K600 PolarHBondContact O-N 3.47Å; K600-S602 PolarHBondContact O-N 2.87Å
601	M	94.8	Very high	93.5	Very high	16 Å²	16	70.1 Å²	70.1	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128	166.8	-64	-60.6	-58.7	0	0	110.1	N456 A592 A593 Y594 F634	N456-M601 HydrophobicContact CB-CB 4.03Å; N456-M601 HydrophobicContact CB-CG 3.66Å; A592-M601 HydrophobicContact CB-CE 4.35Å; A593-M601 VanDerWaalsContact C-CE 3.46Å; Y594-M601 HydrophobicContact CD2-SD 4.1Å; M601-F634 HydrophobicContact SD-CD2 3.76Å; M601-F634 HydrophobicContact SD-CE2 4.33Å
602	S	95.1	Very high	94	Very high	23 Å²	23	68.1 Å²	68.1	16%	0.161	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.3	179	-69.4	0	0	0	0	110	A592 A593 K600 F604	A592-S602 CarbonylContact C-O 3.5Å; A592-S602 WeakPolarHBondContact CA-O 3.41Å; A593-S602 PolarHBondContact N-O 3.44Å; A593-S602 PolarHBondContact O-N 3.01Å; K600-S602 PolarHBondContact O-N 2.87Å; S602-F604 PolarHBondContact O-N 2.97Å
603	F	93.6	Very high	94.1	Very high	36 Å²	36	69.9 Å²	69.9	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.1	169.2	-66.3	-58.8	0	0	0	110.1	L460 L461 D464 R590 D605 F612	L460-F603 HydrophobicContact CD1-CE2 4.21Å; L460-F603 HydrophobicContact CD1-CZ 4.37Å; L460-F603 HydrophobicContact CD2-CD1 4.17Å; L460-F603 HydrophobicContact CD2-CD2 4.22Å; L460-F603 HydrophobicContact CD2-CE1 4.08Å; L460-F603 HydrophobicContact CD2-CE2 4.14Å; L460-F603 HydrophobicContact CD2-CG 4.23Å; L460-F603 HydrophobicContact CD2-CZ 4.07Å; L460-F603 HydrophobicContact CG-CE1 4.12Å; L460-F603 HydrophobicContact CG-CE2 4.01Å; L460-F603 HydrophobicContact CG-CZ 3.76Å; L461-F603 HydrophobicContact CD2-CE1 3.77Å; L461-F603 HydrophobicContact CD2-CZ 4.49Å; L461-F603 HydrophobicContact CG-CE1 4.27Å; D464-F603 HydrophobicContact CB-CE2 3.77Å; D464-F603 HydrophobicContact CB-CZ 3.47Å; D464-F603 VanDerWaalsContact CB-CZ 3.47Å; D464-F603 VanDerWaalsContact CG-CZ 3.45Å; D464-F603 VanDerWaalsContact OD1-CE2 3.28Å; D464-F603 WeakPolarHBondContact OD1-CE2 3.18Å; R590-F603 HydrophobicContact CB-CD1 3.41Å; R590-F603 VanDerWaalsContact CB-CD1 3.41Å; R590-F603 HydrophobicContact CB-CE1 3.58Å; R590-F603 HydrophobicContact CB-CG 4.24Å; R590-F603 HydrophobicContact CB-CZ 4.48Å; R590-F603 HydrophobicContact CG-CD1 4.45Å; R590-F603 VanDerWaalsContact CZ-CD2 3.45Å; F603-D605 PolarHBondContact O-N 3.4Å; F603-F612 WeakPolarHBondContact O-CE1 3.27Å; F603-F612 WeakPolarHBondContact O-CZ 3.46Å
604	F	91.6	Very high	93.9	Very high	65 Å²	65	75.3 Å²	75.3	29%	0.285	38%	0.382	S	S	.	.			trans	-61.2	125.8	-178.5	-177.5	-98.5	0	0	0	110.3	V591 A593 S602 T606 K609 F612	V591-F604 HydrophobicContact CB-CB 4.09Å; V591-F604 HydrophobicContact CG1-CB 4.06Å; V591-F604 WeakPolarHBondContact O-CB 3.29Å; V591-F604 PolarHBondContact O-N 3.14Å; A593-F604 HydrophobicContact CB-CB 4.45Å; A593-F604 HydrophobicContact CB-CD2 4.09Å; S602-F604 PolarHBondContact O-N 2.97Å; F604-T606 HydrophobicContact CD1-CG2 4.29Å; F604-T606 HydrophobicContact CE1-CG2 3.83Å; F604-K609 HydrophobicContact CE2-CG 4.23Å; F604-K609 HydrophobicContact CZ-CB 4.12Å; F604-K609 HydrophobicContact CZ-CD 4.2Å; F604-K609 HydrophobicContact CZ-CG 3.79Å; F604-F612 HydrophobicContact CD2-CB 3.73Å; F604-F612 HydrophobicContact CD2-CD1 4.18Å; F604-F612 HydrophobicContact CD2-CD2 4.2Å; F604-F612 AromaticContact CD2-CG 3.77Å; F604-F612 HydrophobicContact CD2-CG 3.77Å; F604-F612 HydrophobicContact CE2-CB 3.81Å; F604-F612 HydrophobicContact CE2-CD2 4.42Å; F604-F612 HydrophobicContact CE2-CG 4.19Å
605	D	92.4	Very high	93.5	Very high	49 Å²	49	75.7 Å²	75.7	26%	0.262	39%	0.385	S	S	.	.			trans	-113.3	112.9	-179.9	173.8	2.1	0	0	0	108.8	F603 S607 R608 K609 F612	F603-D605 PolarHBondContact O-N 3.4Å; D605-S607 PolarHBondContact O-N 3.43Å; D605-S607 WeakPolarHBondContact OD1-CB 3.21Å; D605-S607 PolarHBondContact OD1-N 3.03Å; D605-S607 PolarHBondContact OD1-OG 3.44Å; D605-S607 PolarHBondContact OD2-OG 3.03Å; D605-R608 CarbonylContact O-C 3.6Å; D605-R608 PolarHBondContact O-N 3.41Å; D605-R608 VanDerWaalsContact O-N 3.12Å; D605-R608 IonicContact OD2-CZ 2.82Å; D605-R608 IonicContact OD2-NE 3.91Å; D605-R608 PolarHBondContact OD2-NE 2.99Å; D605-R608 VanDerWaalsContact OD2-NE 3.08Å; D605-R608 IonicContact OD2-NH2 2.99Å; D605-R608 PolarHBondContact OD2-NH2 3.24Å; D605-K609 PolarHBondContact O-N 3.28Å; D605-F612 HydrophobicContact CB-CE2 3.74Å; D605-F612 HydrophobicContact CB-CZ 3.89Å
606	T	90.4	Very high	92.9	Very high	120 Å²	120	78.4 Å²	78.4	74%	0.736	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.2	-177.7	44.9	0	0	0	0	113	F604 R608	F604-T606 HydrophobicContact CD1-CG2 4.29Å; F604-T606 HydrophobicContact CE1-CG2 3.83Å; T606-R608 VanDerWaalsContact C-N 3.25Å; T606-R608 PolarHBondContact O-N 3.23Å
607	S	94.7	Very high	92.2	Very high	96 Å²	96	75.1 Å²	75.1	67%	0.671	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-72.5	-20	179.4	71.9	0	0	0	0	113.1	D605	D605-S607 PolarHBondContact O-N 3.43Å; D605-S607 WeakPolarHBondContact OD1-CB 3.21Å; D605-S607 PolarHBondContact OD1-N 3.03Å; D605-S607 PolarHBondContact OD1-OG 3.44Å; D605-S607 PolarHBondContact OD2-OG 3.03Å
608	R	93.7	Very high	91.7	Very high	101 Å²	101	74.4 Å²	74.4	38%	0.381	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-127.7	36.4	-178.8	-62.2	-176.1	-60.6	121.8	-1.8	111.6	D595 D605 T606 E610 D611 F612	D595-R608 IonicContact OD2-NH1 2.73Å; D605-R608 CarbonylContact O-C 3.6Å; D605-R608 PolarHBondContact O-N 3.41Å; D605-R608 VanDerWaalsContact O-N 3.12Å; D605-R608 IonicContact OD2-CZ 2.82Å; D605-R608 IonicContact OD2-NE 3.91Å; D605-R608 PolarHBondContact OD2-NE 2.99Å; D605-R608 VanDerWaalsContact OD2-NE 3.08Å; D605-R608 IonicContact OD2-NH2 2.99Å; D605-R608 PolarHBondContact OD2-NH2 3.24Å; T606-R608 VanDerWaalsContact C-N 3.25Å; T606-R608 PolarHBondContact O-N 3.23Å; R608-E610 PolarHBondContact O-N 2.91Å; R608-D611 HydrophobicContact CB-CB 4.39Å; R608-D611 IonicContact NH1-OD2 2.85Å; R608-D611 PolarHBondContact NH1-OD2 3.39Å; R608-D611 WeakPolarHBondContact O-CB 3.42Å; R608-D611 PolarHBondContact O-N 3.43Å; R608-F612 HydrophobicContact CB-CE2 4.4Å; R608-F612 WeakPolarHBondContact O-CD2 3.43Å
609	K	92.3	Very high	91.5	Very high	145 Å²	145	76.5 Å²	76.5	63%	0.63	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-49.2	-35.4	-174.2	173.8	171.6	179.8	-169.6	0	114	F604 D605 D611 F612	F604-K609 HydrophobicContact CE2-CG 4.23Å; F604-K609 HydrophobicContact CZ-CB 4.12Å; F604-K609 HydrophobicContact CZ-CD 4.2Å; F604-K609 HydrophobicContact CZ-CG 3.79Å; D605-K609 PolarHBondContact O-N 3.28Å; K609-D611 VanDerWaalsContact C-N 3.26Å; K609-D611 PolarHBondContact O-N 2.86Å; K609-F612 PolarHBondContact O-N 3.46Å
610	E	94.5	Very high	91.3	Very high	171 Å²	171	71.3 Å²	71.3	80%	0.799	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-70.2	-19.7	-179.6	-59.9	-150.6	-162.6	0	0	113.9	K596 R608 F612	K596-E610 WeakPolarHBondContact CE-O 3.32Å; K596-E610 PolarHBondContact NZ-O 3.46Å; R608-E610 PolarHBondContact O-N 2.91Å; E610-F612 VanDerWaalsContact C-N 3.25Å; E610-F612 PolarHBondContact O-N 2.99Å
611	D	95.4	Very high	90.9	Very high	49 Å²	49	68 Å²	68	26%	0.262	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-76.1	-16.6	174.8	-65.7	-13.9	0	0	0	111.9	K596 R608 K609	K596-D611 WeakPolarHBondContact CB-O 3.43Å; K596-D611 VanDerWaalsContact CE-O 3.27Å; K596-D611 WeakPolarHBondContact CE-O 3.31Å; K596-D611 WeakPolarHBondContact CG-O 3.38Å; K596-D611 PolarHBondContact N-O 3.07Å; R608-D611 HydrophobicContact CB-CB 4.39Å; R608-D611 IonicContact NH1-OD2 2.85Å; R608-D611 PolarHBondContact NH1-OD2 3.39Å; R608-D611 WeakPolarHBondContact O-CB 3.42Å; R608-D611 PolarHBondContact O-N 3.43Å; K609-D611 VanDerWaalsContact C-N 3.26Å; K609-D611 PolarHBondContact O-N 2.86Å
612	F	94.7	Very high	90.7	Very high	18 Å²	18	68.4 Å²	68.4	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.5	-175.3	-68.4	-91.3	0	0	0	112.8	A593 Y594 D595 F603 F604 D605 R608 K609 E610	A593-F612 HydrophobicContact CB-CB 4.14Å; A593-F612 HydrophobicContact CB-CD1 3.81Å; A593-F612 HydrophobicContact CB-CG 4.39Å; Y594-F612 CarbonylContact O-C 3.46Å; Y594-F612 WeakPolarHBondContact O-CA 3.4Å; D595-F612 HydrophobicContact CB-CD1 4.28Å; D595-F612 HydrophobicContact CB-CE1 3.99Å; F603-F612 WeakPolarHBondContact O-CE1 3.27Å; F603-F612 WeakPolarHBondContact O-CZ 3.46Å; F604-F612 HydrophobicContact CD2-CB 3.73Å; F604-F612 HydrophobicContact CD2-CD1 4.18Å; F604-F612 HydrophobicContact CD2-CD2 4.2Å; F604-F612 AromaticContact CD2-CG 3.77Å; F604-F612 HydrophobicContact CD2-CG 3.77Å; F604-F612 HydrophobicContact CE2-CB 3.81Å; F604-F612 HydrophobicContact CE2-CD2 4.42Å; F604-F612 HydrophobicContact CE2-CG 4.19Å; D605-F612 HydrophobicContact CB-CE2 3.74Å; D605-F612 HydrophobicContact CB-CZ 3.89Å; R608-F612 HydrophobicContact CB-CE2 4.4Å; R608-F612 WeakPolarHBondContact O-CD2 3.43Å; K609-F612 PolarHBondContact O-N 3.46Å; E610-F612 VanDerWaalsContact C-N 3.25Å; E610-F612 PolarHBondContact O-N 2.99Å
613	E	92.8	Very high	90.7	Very high	54 Å²	54	68.7 Å²	68.7	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.3	172.8	-174.2	-177.6	177.2	0	0	110.7	Y594 K596 I615 K619	Y594-E613 WeakPolarHBondContact CB-O 3.24Å; Y594-E613 PolarHBondContact N-O 2.82Å; Y594-E613 PolarHBondContact O-N 2.79Å; K596-E613 HydrophobicContact CD-CB 4.34Å; K596-E613 HydrophobicContact CG-CB 4.29Å; E613-I615 HydrophobicContact CG-CG1 4.39Å; E613-K619 IonicContact OE1-NZ 3.77Å; E613-K619 PolarHBondContact OE1-NZ 3.37Å
614	N	88.6	Confident	90.6	Very high	115 Å²	115	67 Å²	67	62%	0.615	36%	0.359	S	S	*	.			trans	-91.9	107.8	171.4	-73.2	-42.9	0	0	0	110	S616	N614-S616 PolarHBondContact O-N 2.98Å
615	I	88.2	Confident	90.5	Very high	24 Å²	24	69.6 Å²	69.6	12%	0.123	37%	0.367	C	S	.	.			trans	-88.7	104	173.1	-57.8	175.4	0	0	0	108	Y594 E613 K619 M620 P631 F634	Y594-I615 HydrophobicContact CG-CD1 4.48Å; E613-I615 HydrophobicContact CG-CG1 4.39Å; I615-K619 HydrophobicContact CG2-CB 4.31Å; I615-K619 HydrophobicContact CG2-CD 4.27Å; I615-K619 HydrophobicContact CG2-CG 4.25Å; I615-M620 HydrophobicContact CG2-CB 4.4Å; I615-P631 HydrophobicContact CD1-CG 3.93Å; I615-F634 HydrophobicContact CB-CD2 4.34Å; I615-F634 HydrophobicContact CB-CE2 3.76Å; I615-F634 HydrophobicContact CB-CZ 4.18Å; I615-F634 HydrophobicContact CD1-CD2 3.64Å; I615-F634 HydrophobicContact CD1-CE2 3.97Å; I615-F634 HydrophobicContact CD1-CG 4.1Å; I615-F634 HydrophobicContact CG1-CD2 4.49Å; I615-F634 HydrophobicContact CG1-CE2 4.38Å; I615-F634 HydrophobicContact CG2-CE1 4.49Å; I615-F634 HydrophobicContact CG2-CE2 3.97Å; I615-F634 HydrophobicContact CG2-CZ 3.88Å
616	S	82.7	Confident	90.4	Very high	64 Å²	64	72.8 Å²	72.8	45%	0.448	39%	0.385	S	S	.	.			trans	-69.5	158.8	178.9	73	0	0	0	0	112	N614 T618 K619 M620	N614-S616 PolarHBondContact O-N 2.98Å; S616-T618 PolarHBondContact O-N 3.47Å; S616-K619 PolarHBondContact O-N 2.97Å; S616-K619 VanDerWaalsContact O-N 3.08Å; S616-K619 PolarHBondContact OG-N 2.93Å; S616-K619 VanDerWaalsContact OG-N 3.13Å; S616-M620 PolarHBondContact O-N 2.89Å
617	G	82	Confident	90.2	Very high	38 Å²	38	68.4 Å²	68.4	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-56.3	-35.9	172.8	0	0	0	0	0	112.6	M620 R621	G617-M620 PolarHBondContact O-N 3.44Å; G617-R621 WeakPolarHBondContact O-CB 3.43Å; G617-R621 VanDerWaalsContact O-CG 3.28Å; G617-R621 WeakPolarHBondContact O-CG 3.33Å; G617-R621 PolarHBondContact O-N 2.93Å
618	T	83.1	Confident	90.1	Very high	88 Å²	88	67.4 Å²	67.4	54%	0.54	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-43.5	175	-57.8	0	0	0	0	112	S616 R621 G622	S616-T618 PolarHBondContact O-N 3.47Å; T618-R621 PolarHBondContact O-N 2.96Å; T618-R621 PolarHBondContact OG1-NH2 3.19Å; T618-R621 VanDerWaalsContact OG1-NH2 3.16Å; T618-G622 PolarHBondContact O-N 2.87Å
619	K	89.5	Confident	90	Very high	91 Å²	91	68 Å²	68	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-46	175.4	-176.9	172	179.1	173.3	0	111.1	E613 I615 S616 R621 G622 L623	E613-K619 IonicContact OE1-NZ 3.77Å; E613-K619 PolarHBondContact OE1-NZ 3.37Å; I615-K619 HydrophobicContact CG2-CB 4.31Å; I615-K619 HydrophobicContact CG2-CD 4.27Å; I615-K619 HydrophobicContact CG2-CG 4.25Å; S616-K619 PolarHBondContact O-N 2.97Å; S616-K619 VanDerWaalsContact O-N 3.08Å; S616-K619 PolarHBondContact OG-N 2.93Å; S616-K619 VanDerWaalsContact OG-N 3.13Å; K619-R621 PolarHBondContact O-N 2.88Å; K619-G622 PolarHBondContact O-N 2.98Å; K619-G622 VanDerWaalsContact O-N 3.14Å; K619-L623 WeakPolarHBondContact O-CG 3.36Å; K619-L623 PolarHBondContact O-N 3.39Å
620	M	90.7	Very high	90.1	Very high	17 Å²	17	61.6 Å²	61.6	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-57.1	-48.2	176.5	-178.4	-79	-71.9	0	0	111.7	I615 S616 G617 G622 L623 A624 F634 W640 L643	I615-M620 HydrophobicContact CG2-CB 4.4Å; S616-M620 PolarHBondContact O-N 2.89Å; G617-M620 PolarHBondContact O-N 3.44Å; M620-G622 VanDerWaalsContact C-N 3.31Å; M620-G622 PolarHBondContact O-N 2.7Å; M620-L623 PolarHBondContact O-N 2.82Å; M620-A624 PolarHBondContact O-N 3.37Å; M620-F634 HydrophobicContact CG-CE1 3.95Å; M620-F634 HydrophobicContact CG-CZ 4.34Å; M620-W640 HydrophobicContact CG-CH2 4.41Å; M620-W640 HydrophobicContact CG-CZ3 3.81Å; M620-W640 HydrophobicContact SD-CH2 4.4Å; M620-W640 HydrophobicContact SD-CZ3 3.81Å; M620-L643 HydrophobicContact SD-CD1 4.31Å
621	R	88.9	Confident	90.1	Very high	47 Å²	47	55.4 Å²	55.4	18%	0.177	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-38.4	175.5	-71.3	-172.7	-68.9	-96.3	0.3	112.6	G617 T618 K619 A624 R625 Y647	G617-R621 WeakPolarHBondContact O-CB 3.43Å; G617-R621 VanDerWaalsContact O-CG 3.28Å; G617-R621 WeakPolarHBondContact O-CG 3.33Å; G617-R621 PolarHBondContact O-N 2.93Å; T618-R621 PolarHBondContact O-N 2.96Å; T618-R621 PolarHBondContact OG1-NH2 3.19Å; T618-R621 VanDerWaalsContact OG1-NH2 3.16Å; K619-R621 PolarHBondContact O-N 2.88Å; R621-A624 PolarHBondContact O-N 2.73Å; R621-R625 WeakPolarHBondContact O-CB 3.38Å; R621-R625 VanDerWaalsContact O-CG 3.27Å; R621-R625 WeakPolarHBondContact O-CG 3.23Å; R621-R625 PolarHBondContact O-N 2.89Å; R621-Y647 WeakPolarHBondContact CD-OH 3.5Å; R621-Y647 HydrophobicContact CG-CE1 4.19Å; R621-Y647 HydrophobicContact CG-CE2 3.97Å; R621-Y647 VanDerWaalsContact CG-OH 3.26Å; R621-Y647 WeakPolarHBondContact CG-OH 3.34Å
622	G	90.6	Very high	90	Very high	25 Å²	25	60 Å²	60	26%	0.258	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-49	174.8	0	0	0	0	0	112.1	T618 K619 M620 A624 R625 N626	T618-G622 PolarHBondContact O-N 2.87Å; K619-G622 PolarHBondContact O-N 2.98Å; K619-G622 VanDerWaalsContact O-N 3.14Å; M620-G622 VanDerWaalsContact C-N 3.31Å; M620-G622 PolarHBondContact O-N 2.7Å; G622-A624 PolarHBondContact O-N 3.44Å; G622-R625 PolarHBondContact O-N 3.26Å; G622-N626 VanDerWaalsContact O-CG 3.27Å; G622-N626 PolarHBondContact O-N 2.96Å
623	L	93.5	Very high	90	Very high	30 Å²	30	60.3 Å²	60.3	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-58.3	-46.9	176	-65.6	170.3	0	0	0	111.4	K619 M620 R625 N626 G627 D628 P630 W640	K619-L623 WeakPolarHBondContact O-CG 3.36Å; K619-L623 PolarHBondContact O-N 3.39Å; M620-L623 PolarHBondContact O-N 2.82Å; L623-R625 PolarHBondContact O-N 3.39Å; L623-N626 PolarHBondContact O-N 3.37Å; L623-G627 PolarHBondContact O-N 3Å; L623-D628 HydrophobicContact CB-CB 4.13Å; L623-D628 HydrophobicContact CD2-CB 3.61Å; L623-D628 HydrophobicContact CG-CB 4.49Å; L623-D628 PolarHBondContact O-N 3.47Å; L623-P630 HydrophobicContact CD1-CB 4.18Å; L623-W640 HydrophobicContact CB-CH2 3.94Å; L623-W640 HydrophobicContact CB-CZ2 4.14Å
624	A	92.2	Very high	90	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-43.6	-179.6	0	0	0	0	0	112.4	M620 R621 G622 G627 W640 Y647	M620-A624 PolarHBondContact O-N 3.37Å; R621-A624 PolarHBondContact O-N 2.73Å; G622-A624 PolarHBondContact O-N 3.44Å; A624-G627 PolarHBondContact O-N 3.22Å; A624-W640 HydrophobicContact CB-CH2 3.55Å; A624-W640 HydrophobicContact CB-CZ2 3.91Å; A624-W640 HydrophobicContact CB-CZ3 4.28Å; A624-Y647 HydrophobicContact CB-CD2 3.42Å; A624-Y647 VanDerWaalsContact CB-CD2 3.42Å; A624-Y647 HydrophobicContact CB-CE2 4.3Å; A624-Y647 HydrophobicContact CB-CG 3.91Å
625	R	90.2	Very high	90.4	Very high	119 Å²	119	53.1 Å²	53.1	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.8	-73.6	174.2	-170.7	171	-0.7	112	R621 G622 L623 G627 Y647 Q651	R621-R625 WeakPolarHBondContact O-CB 3.38Å; R621-R625 VanDerWaalsContact O-CG 3.27Å; R621-R625 WeakPolarHBondContact O-CG 3.23Å; R621-R625 PolarHBondContact O-N 2.89Å; G622-R625 PolarHBondContact O-N 3.26Å; L623-R625 PolarHBondContact O-N 3.39Å; R625-G627 PolarHBondContact O-N 3.33Å; R625-Y647 HydrophobicContact CG-CD1 3.94Å; R625-Y647 HydrophobicContact CG-CG 4.17Å; R625-Q651 VanDerWaalsContact O-CD 3.23Å; R625-Q651 PolarHBondContact O-NE2 3.09Å; R625-Q651 PolarHBondContact O-OE1 3.34Å
626	N	90.4	Very high	90.7	Very high	117 Å²	117	52.1 Å²	52.1	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-76.4	-10.2	179	-66.1	-10.3	0	0	0	113	G622 L623 D628	G622-N626 VanDerWaalsContact O-CG 3.27Å; G622-N626 PolarHBondContact O-N 2.96Å; L623-N626 PolarHBondContact O-N 3.37Å; N626-D628 WeakPolarHBondContact CB-OD2 3.17Å; N626-D628 PolarHBondContact ND2-OD2 3.49Å; N626-D628 PolarHBondContact O-N 3.19Å
627	G	86	Confident	91.3	Very high	28 Å²	28	53 Å²	53	29%	0.289	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	14.7	-171	0	0	0	0	0	114	L623 A624 R625	L623-G627 PolarHBondContact O-N 3Å; A624-G627 PolarHBondContact O-N 3.22Å; R625-G627 PolarHBondContact O-N 3.33Å
628	D	92.7	Very high	92	Very high	74 Å²	74	54 Å²	54	40%	0.396	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-71.7	151.4	174.2	-62.5	-39	0	0	0	110.1	L623 N626 W640	L623-D628 HydrophobicContact CB-CB 4.13Å; L623-D628 HydrophobicContact CD2-CB 3.61Å; L623-D628 HydrophobicContact CG-CB 4.49Å; L623-D628 PolarHBondContact O-N 3.47Å; N626-D628 WeakPolarHBondContact CB-OD2 3.17Å; N626-D628 PolarHBondContact ND2-OD2 3.49Å; N626-D628 PolarHBondContact O-N 3.19Å; D628-W640 WeakPolarHBondContact O-CZ2 3.41Å; D628-W640 PolarHBondContact O-NE1 3.39Å
629	T	91.9	Very high	92.6	Very high	114 Å²	114	49.8 Å²	49.8	70%	0.699	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-94.5	134	173.6	-52.5	0	0	0	0	109.1
630	P	93.4	Very high	92.9	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.065	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65.6	163.7	173.2	30.6	-37.3	0	0	0	110.1	L623 E632 F634 W640	L623-P630 HydrophobicContact CD1-CB 4.18Å; P630-E632 PolarHBondContact O-N 3.17Å; P630-F634 HydrophobicContact CB-CB 4.14Å; P630-F634 HydrophobicContact CB-CD1 3.6Å; P630-F634 HydrophobicContact CB-CE1 4.39Å; P630-F634 HydrophobicContact CB-CG 4.15Å; P630-F634 HydrophobicContact CG-CD1 3.97Å; P630-W640 VanDerWaalsContact CD-CD2 3.43Å; P630-W640 HydrophobicContact CG-CD2 3.72Å; P630-W640 HydrophobicContact CG-CE3 3.86Å; P630-W640 HydrophobicContact CG-CG 4.13Å; P630-W640 HydrophobicContact CG-CH2 4.41Å; P630-W640 HydrophobicContact CG-CZ2 4.35Å; P630-W640 HydrophobicContact CG-CZ3 4.2Å
631	P	93.9	Very high	93.2	Very high	42 Å²	42	51.6 Å²	51.6	27%	0.273	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-51.1	139.3	173.7	-27.3	36.5	0	0	0	112.1	Y594 I615 G633 F634	Y594-P631 HydrophobicContact CD1-CB 4.2Å; Y594-P631 HydrophobicContact CD2-CB 4.44Å; Y594-P631 HydrophobicContact CE1-CB 3.54Å; Y594-P631 HydrophobicContact CE1-CG 4.25Å; Y594-P631 HydrophobicContact CE2-CB 3.84Å; Y594-P631 WeakPolarHBondContact OH-CB 3.43Å; I615-P631 HydrophobicContact CD1-CG 3.93Å; P631-G633 PolarHBondContact O-N 3.38Å; P631-F634 WeakPolarHBondContact O-CB 3.31Å; P631-F634 PolarHBondContact O-N 3.13Å
632	E	93.7	Very high	93.5	Very high	145 Å²	145	51.2 Å²	51.2	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	133.5	178.8	-174.4	-176.9	179.7	0	0	111	Y594 K599 P630 F634	Y594-E632 WeakPolarHBondContact CE2-O 3.41Å; Y594-E632 PolarHBondContact OH-O 3.49Å; K599-E632 VanDerWaalsContact O-O 3.08Å; P630-E632 PolarHBondContact O-N 3.17Å; E632-F634 VanDerWaalsContact C-N 3.29Å; E632-F634 PolarHBondContact O-N 2.82Å
633	G	94	Very high	93.7	Very high	25 Å²	25	50 Å²	50	26%	0.258	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	0.1	-179.4	0	0	0	0	0	115.4	N456 P631	N456-G633 WeakPolarHBondContact CB-O 3.49Å; N456-G633 PolarHBondContact ND2-O 2.75Å; P631-G633 PolarHBondContact O-N 3.38Å
634	F	94.9	Very high	93.8	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.022	27%	0.271	C	S	.	.	S	Bend	trans	-69.3	-43.1	169.7	175.3	-106	0	0	0	112.7	H455 N456 Y594 M601 I615 M620 P630 P631 E632	H455-F634 HydrophobicContact CB-CE1 4.06Å; H455-F634 HydrophobicContact CB-CE2 4.19Å; H455-F634 HydrophobicContact CB-CZ 3.87Å; N456-F634 VanDerWaalsContact CB-O 3.29Å; N456-F634 WeakPolarHBondContact CB-O 3.44Å; N456-F634 PolarHBondContact N-O 3.47Å; Y594-F634 HydrophobicContact CD2-CB 4.47Å; M601-F634 HydrophobicContact SD-CD2 3.76Å; M601-F634 HydrophobicContact SD-CE2 4.33Å; I615-F634 HydrophobicContact CB-CD2 4.34Å; I615-F634 HydrophobicContact CB-CE2 3.76Å; I615-F634 HydrophobicContact CB-CZ 4.18Å; I615-F634 HydrophobicContact CD1-CD2 3.64Å; I615-F634 HydrophobicContact CD1-CE2 3.97Å; I615-F634 HydrophobicContact CD1-CG 4.1Å; I615-F634 HydrophobicContact CG1-CD2 4.49Å; I615-F634 HydrophobicContact CG1-CE2 4.38Å; I615-F634 HydrophobicContact CG2-CE1 4.49Å; I615-F634 HydrophobicContact CG2-CE2 3.97Å; I615-F634 HydrophobicContact CG2-CZ 3.88Å; M620-F634 HydrophobicContact CG-CE1 3.95Å; M620-F634 HydrophobicContact CG-CZ 4.34Å; P630-F634 HydrophobicContact CB-CB 4.14Å; P630-F634 HydrophobicContact CB-CD1 3.6Å; P630-F634 HydrophobicContact CB-CE1 4.39Å; P630-F634 HydrophobicContact CB-CG 4.15Å; P630-F634 HydrophobicContact CG-CD1 3.97Å; P631-F634 WeakPolarHBondContact O-CB 3.31Å; P631-F634 PolarHBondContact O-N 3.13Å; E632-F634 VanDerWaalsContact C-N 3.29Å; E632-F634 PolarHBondContact O-N 2.82Å
635	M	95.5	Very high	93.9	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.059	29%	0.291	C	S	.	.	S	Bend	trans	-146	151.6	179.6	-173.1	175.3	-67.3	0	0	109.3	H455 A639 W640 L643	H455-M635 HydrophobicContact CB-CE 3.78Å; M635-A639 HydrophobicContact CG-CB 4.15Å; M635-A639 HydrophobicContact SD-CB 4.4Å; M635-W640 HydrophobicContact CG-CB 4.46Å; M635-W640 HydrophobicContact SD-CB 4.19Å; M635-W640 HydrophobicContact SD-CE3 3.99Å; M635-L643 HydrophobicContact CE-CD1 3.61Å; M635-L643 HydrophobicContact SD-CD1 3.63Å
636	A	94.4	Very high	94.2	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	28%	0.276	C	S	.	.			trans	-56.9	131.2	171.5	0	0	0	0	0	110.5	E507 V509 T638 A639 W640	E507-A636 HydrophobicContact CB-CB 4.23Å; E507-A636 VanDerWaalsContact CD-CB 3.46Å; E507-A636 HydrophobicContact CG-CB 4.39Å; E507-A636 WeakPolarHBondContact OE1-CB 3.25Å; V509-A636 HydrophobicContact CG2-CB 3.7Å; A636-T638 PolarHBondContact O-N 2.84Å; A636-A639 HydrophobicContact CB-CB 3.85Å; A636-A639 CarbonylContact O-C 3.52Å; A636-A639 WeakPolarHBondContact O-CB 3.35Å; A636-A639 PolarHBondContact O-N 2.99Å; A636-A639 VanDerWaalsContact O-N 3.12Å; A636-W640 PolarHBondContact O-N 3.41Å
637	P	95.8	Very high	94.3	Very high	83 Å²	83	41.6 Å²	41.6	54%	0.539	25%	0.248	S	C	.	.	H	α-helix	trans	-50.1	-49.6	-177.5	-33.5	34.8	0	0	0	115.8	E507 A639 W640 E641	E507-P637 VanDerWaalsContact OE2-CD 3.25Å; E507-P637 WeakPolarHBondContact OE2-CD 3.14Å; P637-A639 VanDerWaalsContact C-N 3.29Å; P637-A639 PolarHBondContact O-N 2.78Å; P637-W640 WeakPolarHBondContact O-CB 3.36Å; P637-W640 PolarHBondContact O-N 3.17Å; P637-W640 VanDerWaalsContact O-N 3.14Å; P637-E641 WeakPolarHBondContact O-CG 3.27Å; P637-E641 PolarHBondContact O-N 3.23Å
638	T	96.3	Very high	94.5	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.362	25%	0.253	S	S	.	.	H	α-helix	trans	-69.8	-32	-179.5	72	0	0	0	0	111.2	A503 E507 A636 W640 E641 V642	A503-T638 WeakPolarHBondContact CB-OG1 3.38Å; E507-T638 VanDerWaalsContact CD-OG1 3.26Å; E507-T638 HydrophobicContact CG-CG2 4.31Å; E507-T638 WeakPolarHBondContact CG-OG1 3.49Å; E507-T638 WeakPolarHBondContact OE1-CA 3.22Å; E507-T638 VanDerWaalsContact OE1-CB 3.22Å; E507-T638 WeakPolarHBondContact OE1-CB 3.34Å; E507-T638 PolarHBondContact OE1-N 3.46Å; E507-T638 PolarHBondContact OE1-OG1 3.21Å; A636-T638 PolarHBondContact O-N 2.84Å; T638-W640 VanDerWaalsContact C-N 3.34Å; T638-E641 PolarHBondContact O-N 3.31Å; T638-V642 WeakPolarHBondContact O-CG2 3.15Å; T638-V642 PolarHBondContact O-N 3.35Å
639	A	96	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-34.3	172.7	0	0	0	0	0	112.2	Q500 A503 V504 E507 M635 A636 P637	Q500-A639 HydrophobicContact CG-CB 4.15Å; A503-A639 HydrophobicContact CB-CB 3.92Å; V504-A639 HydrophobicContact CG2-CB 3.68Å; E507-A639 PolarHBondContact OE1-N 2.84Å; M635-A639 HydrophobicContact CG-CB 4.15Å; M635-A639 HydrophobicContact SD-CB 4.4Å; A636-A639 HydrophobicContact CB-CB 3.85Å; A636-A639 CarbonylContact O-C 3.52Å; A636-A639 WeakPolarHBondContact O-CB 3.35Å; A636-A639 PolarHBondContact O-N 2.99Å; A636-A639 VanDerWaalsContact O-N 3.12Å; P637-A639 VanDerWaalsContact C-N 3.29Å; P637-A639 PolarHBondContact O-N 2.78Å
640	W	96.6	Very high	94.3	Very high	15 Å²	15	41.7 Å²	41.7	6%	0.057	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-43	172.2	176.5	-109.2	0	0	0	111.8	M620 L623 A624 D628 P630 M635 A636 P637 T638 V642 L643 A644	M620-W640 HydrophobicContact CG-CH2 4.41Å; M620-W640 HydrophobicContact CG-CZ3 3.81Å; M620-W640 HydrophobicContact SD-CH2 4.4Å; M620-W640 HydrophobicContact SD-CZ3 3.81Å; L623-W640 HydrophobicContact CB-CH2 3.94Å; L623-W640 HydrophobicContact CB-CZ2 4.14Å; A624-W640 HydrophobicContact CB-CH2 3.55Å; A624-W640 HydrophobicContact CB-CZ2 3.91Å; A624-W640 HydrophobicContact CB-CZ3 4.28Å; D628-W640 WeakPolarHBondContact O-CZ2 3.41Å; D628-W640 PolarHBondContact O-NE1 3.39Å; P630-W640 VanDerWaalsContact CD-CD2 3.43Å; P630-W640 HydrophobicContact CG-CD2 3.72Å; P630-W640 HydrophobicContact CG-CE3 3.86Å; P630-W640 HydrophobicContact CG-CG 4.13Å; P630-W640 HydrophobicContact CG-CH2 4.41Å; P630-W640 HydrophobicContact CG-CZ2 4.35Å; P630-W640 HydrophobicContact CG-CZ3 4.2Å; M635-W640 HydrophobicContact CG-CB 4.46Å; M635-W640 HydrophobicContact SD-CB 4.19Å; M635-W640 HydrophobicContact SD-CE3 3.99Å; A636-W640 PolarHBondContact O-N 3.41Å; P637-W640 WeakPolarHBondContact O-CB 3.36Å; P637-W640 PolarHBondContact O-N 3.17Å; P637-W640 VanDerWaalsContact O-N 3.14Å; T638-W640 VanDerWaalsContact C-N 3.34Å; W640-V642 VanDerWaalsContact C-N 3.27Å; W640-V642 PolarHBondContact O-N 3.23Å; W640-L643 PolarHBondContact O-N 3.47Å; W640-A644 HydrophobicContact CZ2-CB 4.43Å; W640-A644 WeakPolarHBondContact O-CB 3.42Å; W640-A644 PolarHBondContact O-N 2.82Å
641	E	96.2	Very high	93.8	Very high	130 Å²	130	45.8 Å²	45.8	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-56.3	-40.9	177.4	-74.6	172.9	-178.4	0	0	112.2	P637 T638 L643 G645	P637-E641 WeakPolarHBondContact O-CG 3.27Å; P637-E641 PolarHBondContact O-N 3.23Å; T638-E641 PolarHBondContact O-N 3.31Å; E641-L643 PolarHBondContact O-N 3.47Å; E641-G645 PolarHBondContact O-N 2.93Å
642	V	96.3	Very high	92.9	Very high	39 Å²	39	50.5 Å²	50.5	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-47.4	174.3	172.3	0	0	0	0	111.4	I496 K499 Q500 T638 W640 Y646	I496-V642 HydrophobicContact CG2-CG1 4.01Å; K499-V642 HydrophobicContact CB-CG1 3.94Å; Q500-V642 HydrophobicContact CB-CB 4.44Å; Q500-V642 HydrophobicContact CB-CG1 4Å; T638-V642 WeakPolarHBondContact O-CG2 3.15Å; T638-V642 PolarHBondContact O-N 3.35Å; W640-V642 VanDerWaalsContact C-N 3.27Å; W640-V642 PolarHBondContact O-N 3.23Å; V642-Y646 PolarHBondContact O-N 3.36Å; V642-Y646 VanDerWaalsContact O-N 3.13Å
643	L	94.8	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-44.8	-179.5	-65.3	-179.2	0	0	0	112.5	P453 V492 I496 Q500 M620 M635 W640 E641 G645 Y646 Y647	P453-L643 HydrophobicContact CB-CD1 3.61Å; P453-L643 HydrophobicContact CB-CD2 3.86Å; P453-L643 HydrophobicContact CB-CG 4.32Å; P453-L643 HydrophobicContact CG-CD1 3.96Å; P453-L643 HydrophobicContact CG-CD2 3.56Å; P453-L643 HydrophobicContact CG-CG 4.42Å; V492-L643 HydrophobicContact CG1-CD2 4.06Å; V492-L643 HydrophobicContact CG2-CD2 4.47Å; I496-L643 HydrophobicContact CG2-CD2 4.2Å; Q500-L643 HydrophobicContact CB-CD2 4.44Å; Q500-L643 HydrophobicContact CG-CD1 4.29Å; Q500-L643 HydrophobicContact CG-CD2 4.12Å; Q500-L643 HydrophobicContact CG-CG 3.98Å; M620-L643 HydrophobicContact SD-CD1 4.31Å; M635-L643 HydrophobicContact CE-CD1 3.61Å; M635-L643 HydrophobicContact SD-CD1 3.63Å; W640-L643 PolarHBondContact O-N 3.47Å; E641-L643 PolarHBondContact O-N 3.47Å; L643-G645 VanDerWaalsContact C-N 3.3Å; L643-G645 PolarHBondContact O-N 3.02Å; L643-Y646 PolarHBondContact O-N 3.3Å; L643-Y647 VanDerWaalsContact O-CD2 3.29Å; L643-Y647 WeakPolarHBondContact O-CD2 3.33Å; L643-Y647 PolarHBondContact O-N 2.74Å
644	A	94.9	Very high	90	Very high	6 Å²	6	56 Å²	56	5%	0.05	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-41.5	176.9	0	0	0	0	0	110.9	W640 Y647 K648	W640-A644 HydrophobicContact CZ2-CB 4.43Å; W640-A644 WeakPolarHBondContact O-CB 3.42Å; W640-A644 PolarHBondContact O-N 2.82Å; A644-Y647 PolarHBondContact O-N 3.29Å; A644-K648 WeakPolarHBondContact O-CB 3.29Å; A644-K648 VanDerWaalsContact O-CG 3.22Å; A644-K648 WeakPolarHBondContact O-CG 3.22Å; A644-K648 PolarHBondContact O-N 3.4Å
645	G	95	Very high	89.7	Confident	40 Å²	40	58.5 Å²	58.5	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-47.5	174.7	0	0	0	0	0	112.5	E641 L643 K648 S649	E641-G645 PolarHBondContact O-N 2.93Å; L643-G645 VanDerWaalsContact C-N 3.3Å; L643-G645 PolarHBondContact O-N 3.02Å; G645-K648 PolarHBondContact O-N 2.65Å; G645-S649 PolarHBondContact O-N 3.32Å
646	Y	94.9	Very high	89.4	Confident	38 Å²	38	60.9 Å²	60.9	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-49	175.8	169.4	-112.5	0	0	0	112.8	V492 P493 I496 V642 L643 K648 S649 L650	V492-Y646 HydrophobicContact CG1-CD1 4.37Å; V492-Y646 HydrophobicContact CG1-CE1 4.46Å; P493-Y646 WeakPolarHBondContact CD-OH 3.18Å; P493-Y646 HydrophobicContact CG-CE1 4.45Å; P493-Y646 HydrophobicContact CG-CE2 3.79Å; P493-Y646 WeakPolarHBondContact CG-OH 3.19Å; I496-Y646 HydrophobicContact CD1-CD2 4.17Å; I496-Y646 HydrophobicContact CD1-CG 4.46Å; I496-Y646 HydrophobicContact CG1-CD2 3.78Å; I496-Y646 HydrophobicContact CG1-CE2 4.34Å; I496-Y646 HydrophobicContact CG1-CG 4Å; I496-Y646 HydrophobicContact CG2-CD1 4.38Å; I496-Y646 HydrophobicContact CG2-CG 4.04Å; V642-Y646 PolarHBondContact O-N 3.36Å; V642-Y646 VanDerWaalsContact O-N 3.13Å; L643-Y646 PolarHBondContact O-N 3.3Å; Y646-K648 VanDerWaalsContact C-N 3.31Å; Y646-K648 PolarHBondContact O-N 3.27Å; Y646-S649 PolarHBondContact O-N 3.13Å; Y646-S649 VanDerWaalsContact O-N 3.17Å; Y646-S649 PolarHBondContact O-OG 3.42Å; Y646-L650 HydrophobicContact CE1-CD1 3.94Å; Y646-L650 HydrophobicContact CE2-CD1 4.24Å; Y646-L650 HydrophobicContact CE2-CD2 4.1Å; Y646-L650 HydrophobicContact CE2-CG 4.14Å; Y646-L650 PolarHBondContact O-N 3.28Å
647	Y	93.2	Very high	89.2	Confident	6 Å²	6	64.2 Å²	64.2	2%	0.024	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-31.4	-178.6	-79.7	-64.8	0	0	0	113	V492 R621 A624 R625 L643 A644 L650	V492-Y647 HydrophobicContact CG2-CE2 4.21Å; V492-Y647 VanDerWaalsContact CG2-OH 3.24Å; V492-Y647 WeakPolarHBondContact CG2-OH 3.43Å; R621-Y647 WeakPolarHBondContact CD-OH 3.5Å; R621-Y647 HydrophobicContact CG-CE1 4.19Å; R621-Y647 HydrophobicContact CG-CE2 3.97Å; R621-Y647 VanDerWaalsContact CG-OH 3.26Å; R621-Y647 WeakPolarHBondContact CG-OH 3.34Å; A624-Y647 HydrophobicContact CB-CD2 3.42Å; A624-Y647 VanDerWaalsContact CB-CD2 3.42Å; A624-Y647 HydrophobicContact CB-CE2 4.3Å; A624-Y647 HydrophobicContact CB-CG 3.91Å; R625-Y647 HydrophobicContact CG-CD1 3.94Å; R625-Y647 HydrophobicContact CG-CG 4.17Å; L643-Y647 VanDerWaalsContact O-CD2 3.29Å; L643-Y647 WeakPolarHBondContact O-CD2 3.33Å; L643-Y647 PolarHBondContact O-N 2.74Å; A644-Y647 PolarHBondContact O-N 3.29Å; Y647-L650 HydrophobicContact CD1-CD1 4.12Å; Y647-L650 HydrophobicContact CE1-CD1 4.45Å
648	K	91	Very high	88.8	Confident	91 Å²	91	63.1 Å²	63.1	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-38.8	170.4	-73.4	174.2	-177.5	-179.4	0	112.1	A644 G645 Y646 L650 Q651 N652	A644-K648 WeakPolarHBondContact O-CB 3.29Å; A644-K648 VanDerWaalsContact O-CG 3.22Å; A644-K648 WeakPolarHBondContact O-CG 3.22Å; A644-K648 PolarHBondContact O-N 3.4Å; G645-K648 PolarHBondContact O-N 2.65Å; Y646-K648 VanDerWaalsContact C-N 3.31Å; Y646-K648 PolarHBondContact O-N 3.27Å; K648-L650 VanDerWaalsContact C-N 3.25Å; K648-L650 PolarHBondContact O-N 3.33Å; K648-Q651 WeakPolarHBondContact O-CB 3.47Å; K648-Q651 PolarHBondContact O-N 3.3Å; K648-Q651 VanDerWaalsContact O-N 3.08Å; K648-N652 PolarHBondContact O-N 3.26Å
649	S	91.2	Very high	88.3	Confident	61 Å²	61	63.3 Å²	63.3	43%	0.427	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-32.1	178.3	65.3	0	0	0	0	112.7	G645 Y646 Q651 N652 S653	G645-S649 PolarHBondContact O-N 3.32Å; Y646-S649 PolarHBondContact O-N 3.13Å; Y646-S649 VanDerWaalsContact O-N 3.17Å; Y646-S649 PolarHBondContact O-OG 3.42Å; S649-Q651 VanDerWaalsContact C-N 3.28Å; S649-Q651 PolarHBondContact O-N 3.43Å; S649-N652 PolarHBondContact O-N 2.95Å; S649-S653 PolarHBondContact O-N 3.45Å; S649-S653 PolarHBondContact O-OG 3.03Å
650	L	88.8	Confident	87.8	Confident	66 Å²	66	67.5 Å²	67.5	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-26.8	174.2	-65.6	179.9	0	0	0	113.6	Y646 Y647 K648 S653	Y646-L650 HydrophobicContact CE1-CD1 3.94Å; Y646-L650 HydrophobicContact CE2-CD1 4.24Å; Y646-L650 HydrophobicContact CE2-CD2 4.1Å; Y646-L650 HydrophobicContact CE2-CG 4.14Å; Y646-L650 PolarHBondContact O-N 3.28Å; Y647-L650 HydrophobicContact CD1-CD1 4.12Å; Y647-L650 HydrophobicContact CE1-CD1 4.45Å; K648-L650 VanDerWaalsContact C-N 3.25Å; K648-L650 PolarHBondContact O-N 3.33Å; L650-S653 WeakPolarHBondContact CA-OG 3.44Å; L650-S653 PolarHBondContact O-OG 3.08Å
651	Q	81.9	Confident	87.2	Confident	95 Å²	95	71.3 Å²	71.3	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-77.7	-31.6	175.8	-71.2	178.2	-26.1	0	0	112.2	R625 K648 S649	R625-Q651 VanDerWaalsContact O-CD 3.23Å; R625-Q651 PolarHBondContact O-NE2 3.09Å; R625-Q651 PolarHBondContact O-OE1 3.34Å; K648-Q651 WeakPolarHBondContact O-CB 3.47Å; K648-Q651 PolarHBondContact O-N 3.3Å; K648-Q651 VanDerWaalsContact O-N 3.08Å; S649-Q651 VanDerWaalsContact C-N 3.28Å; S649-Q651 PolarHBondContact O-N 3.43Å
652	N	76.3	Confident	86.5	Confident	142 Å²	142	66.8 Å²	66.8	76%	0.759	38%	0.377	S	S	*	.	H	α-helix	trans	-79.7	-18.6	179.4	-67.3	-15.7	0	0	0	113	K648 S649	K648-N652 PolarHBondContact O-N 3.26Å; S649-N652 PolarHBondContact O-N 2.95Å
653	S	71.8	Confident	85.6	Confident	86 Å²	86	69.1 Å²	69.1	60%	0.601	39%	0.389	S	S	*	.			trans	-86.2	-14.3	178.4	53.9	0	0	0	0	114.3	S649 L650	S649-S653 PolarHBondContact O-N 3.45Å; S649-S653 PolarHBondContact O-OG 3.03Å; L650-S653 WeakPolarHBondContact CA-OG 3.44Å; L650-S653 PolarHBondContact O-OG 3.08Å
654	N	54	Low	84.8	Confident	198 Å²	198	75.4 Å²	75.4	100%	1.059	42%	0.424	S	S	*	.			trans	-100.6	0	172.4	-71.8	-18.2	0	0	0	109.6

Retrieved 654 of 654 residues in 340.5 ms (Link to these results)

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