A0A096NQ14_PAPAN Loading...

Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients. Could also be part of an osmosensory signaling pathway that senses body-fluid sodium levels and controls salt intake behavior as well as voluntary water intake to regulate sodium homeostasis.

AlphaFold DB (A0A2K6JYI3), UniProt , Accession A0A096NQ14, Species PAPAN (Papio anubis, Olive baboon), Gene ATP1A1, Length 1,023 aa.

						>A0A096NQ14_PAPAN|A0A096NQ14|ATP1A1
MAFKVGRDKYEPAAVSEQGDKKGKKGKKDRDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTSARAAEILARDGPNALTPPPTTPEWIKFCRQLFGGFSMLLWIGAILCFLAYSIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEDVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYAKIVEIPFNSTNKYQLSIHKNPNTSEPRHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDAFQNAYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPIDNLCFVGLISMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPLHLLGLRVDWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY
					

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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	35.4	Very low	29.9	Very low	247 Å²	247	176 Å²	176	100%	1.217	88%	0.876	S	S	*	*				0	135.4	0	-118.9	177.3	179.7	0	0	108.1
2	A	29.2	Very low	29.7	Very low	105 Å²	105	170.5 Å²	170.5	87%	0.868	86%	0.862	S	S	*	*			trans	81.9	121.9	172.4	0	0	0	0	0	119.4
3	F	32.8	Very low	29.5	Very low	194 Å²	194	164.6 Å²	164.6	85%	0.851	86%	0.856	S	S	*	*			trans	-58	152.1	177.8	-81.8	-106.9	0	0	0	115.8
4	K	28.3	Very low	29.1	Very low	211 Å²	211	160.1 Å²	160.1	92%	0.917	86%	0.855	S	S	*	*			trans	-155.6	126.6	135.3	-112.7	173.3	-175.5	-179.8	0	112
5	V	32.2	Very low	29.1	Very low	120 Å²	120	158.2 Å²	158.2	73%	0.727	85%	0.851	S	S	*	*			trans	-74.4	124.5	-179.2	173.3	0	0	0	0	109.7
6	G	29.1	Very low	29	Very low	75 Å²	75	155.4 Å²	155.4	77%	0.773	85%	0.847	S	S	*	*			trans	-81.4	114.8	167	0	0	0	0	0	110.1
7	R	29.5	Very low	29.1	Very low	227 Å²	227	157.2 Å²	157.2	86%	0.857	85%	0.849	S	S	*	*			trans	-100.8	103.8	163.3	-87	-179	173.6	168.7	-2.8	106.9	K9	R7-K9 PolarHBondContact O-N 3.32Å
8	D	31.4	Very low	29.2	Very low	167 Å²	167	159.4 Å²	159.4	89%	0.893	85%	0.852	S	S	*	*			trans	-74.4	110.7	163.2	-72	-31.4	0	0	0	107.9	Y10	D8-Y10 PolarHBondContact O-N 3.42Å
9	K	27.1	Very low	29.2	Very low	196 Å²	196	154.6 Å²	154.6	85%	0.852	85%	0.845	S	S	*	*			trans	-73.2	118.9	171.9	-84.2	178.3	171.1	-178.6	0	108.2	R7 E11	R7-K9 PolarHBondContact O-N 3.32Å; K9-E11 PolarHBondContact O-N 3.46Å
10	Y	29.9	Very low	29.5	Very low	218 Å²	218	154.1 Å²	154.1	86%	0.855	84%	0.841	S	S	*	*			trans	-72.4	112.3	164	-164.3	-98.4	0	0	0	108.3	D8	D8-Y10 PolarHBondContact O-N 3.42Å
11	E	24.3	Very low	29.8	Very low	176 Å²	176	157.2 Å²	157.2	82%	0.822	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-85.8	120.8	168.1	-77.5	-174.6	162.4	0	0	108.8	K9	K9-E11 PolarHBondContact O-N 3.46Å
12	P	27.7	Very low	29.7	Very low	110 Å²	110	152.6 Å²	152.6	71%	0.714	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.1	134	168.9	26.4	-30.1	0	0	0	109.5	A14	P12-A14 PolarHBondContact O-N 2.69Å
13	A	26.1	Very low	29.9	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-50.5	133.4	178.6	0	0	0	0	0	111.6	V15	A13-V15 PolarHBondContact O-N 3.49Å
14	A	24.4	Very low	30.2	Very low	102 Å²	102	150.6 Å²	150.6	84%	0.843	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-55.2	116.6	-179	0	0	0	0	0	111.5	P12 S16	P12-A14 PolarHBondContact O-N 2.69Å; A14-S16 PolarHBondContact O-N 3.41Å
15	V	28.5	Very low	30.6	Very low	131 Å²	131	148.8 Å²	148.8	79%	0.794	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.8	121.8	161.1	-172.2	0	0	0	0	106.3	A13 E17	A13-V15 PolarHBondContact O-N 3.49Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.4Å
16	S	27.6	Very low	30.6	Very low	113 Å²	113	144.6 Å²	144.6	79%	0.79	78%	0.78	S	S	*	*			trans	-64.6	88.3	177.6	45.3	0	0	0	0	111.2	A14 Q18	A14-S16 PolarHBondContact O-N 3.41Å; S16-Q18 PolarHBondContact O-N 3.24Å
17	E	31.2	Very low	31.3	Very low	187 Å²	187	149 Å²	149	87%	0.874	78%	0.778	S	S	*	*			trans	-75.6	69.3	165.1	-77.1	-166.1	151.7	0	0	111	V15	V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.4Å
18	Q	30.1	Very low	32.4	Very low	196 Å²	196	145.4 Å²	145.4	92%	0.916	77%	0.768	S	S	*	*			trans	-141.6	67.3	152.7	-76.5	-166.3	-16.9	0	0	108.6	S16	S16-Q18 PolarHBondContact O-N 3.24Å
19	G	30.7	Very low	33.4	Very low	69 Å²	69	142 Å²	142	71%	0.711	75%	0.75	S	S	*	*			trans	-101.9	112.7	169.2	0	0	0	0	0	110	K21	G19-K21 PolarHBondContact O-N 3.28Å
20	D	33.6	Very low	34.4	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	74%	0.742	S	S	*	*			trans	-37.8	132.1	163.1	-90.5	-35.4	0	0	0	111.2	K22	D20-K22 PolarHBondContact O-N 3.19Å
21	K	36.4	Very low	36.1	Very low	219 Å²	219	135.8 Å²	135.8	95%	0.952	73%	0.727	S	S	*	*			trans	-65.1	76.2	170.3	-77.1	179.8	175.6	174.8	0	110.2	G19	G19-K21 PolarHBondContact O-N 3.28Å
22	K	33.2	Very low	38.2	Very low	150 Å²	150	129.3 Å²	129.3	65%	0.652	70%	0.697	S	S	*	*			trans	-83.2	133.8	164.5	-74.7	-175.8	176.6	-179.3	0	109	D20	D20-K22 PolarHBondContact O-N 3.19Å
23	G	33.3	Very low	40.1	Very low	54 Å²	54	128.7 Å²	128.7	56%	0.557	69%	0.688	S	S	*	*			trans	-58.7	159.8	-174.3	0	0	0	0	0	114.1	K25 G26 K27	G23-K25 PolarHBondContact O-N 2.8Å; G23-G26 PolarHBondContact O-N 2.92Å; G23-K27 PolarHBondContact O-N 2.76Å
24	K	39.2	Very low	42.1	Very low	203 Å²	203	130 Å²	130	88%	0.883	68%	0.678	S	S	*	*	H	α-helix	trans	-43.8	-33.1	-178.5	-90.1	-179.1	172.2	179.3	0	114.9	K28	K24-K28 PolarHBondContact O-N 2.71Å
25	K	37.4	Very low	44.4	Very low	173 Å²	173	126.7 Å²	126.7	75%	0.752	65%	0.646	S	S	*	*	H	α-helix	trans	-66.3	-46.9	179	-148.7	176.3	-177	-175.5	0	112.3	G23 K27 K28 D29	G23-K25 PolarHBondContact O-N 2.8Å; K25-K27 VanDerWaalsContact C-N 3.29Å; K25-K27 PolarHBondContact O-N 3.37Å; K25-K28 PolarHBondContact O-N 2.81Å; K25-K28 VanDerWaalsContact O-N 3.14Å; K25-D29 PolarHBondContact O-N 2.74Å; K25-D29 VanDerWaalsContact O-N 3.11Å
26	G	31.2	Very low	46.4	Very low	33 Å²	33	122.8 Å²	122.8	34%	0.34	62%	0.618	S	S	.	*	H	α-helix	trans	-71.5	-19.1	179.3	0	0	0	0	0	114.8	G23	G23-G26 PolarHBondContact O-N 2.92Å
27	K	43.8	Very low	48.4	Very low	168 Å²	168	124.1 Å²	124.1	73%	0.73	61%	0.61	S	S	*	*	H	α-helix	trans	-77.1	-34.5	170.9	-160	174.5	-176.8	-178.6	0	111.5	G23 K25 D31	G23-K27 PolarHBondContact O-N 2.76Å; K25-K27 VanDerWaalsContact C-N 3.29Å; K25-K27 PolarHBondContact O-N 3.37Å; K27-D31 PolarHBondContact O-N 3.43Å
28	K	53.9	Low	50.1	Low	151 Å²	151	118.1 Å²	118.1	66%	0.657	58%	0.582	S	S	*	*	H	α-helix	trans	-72.8	-39.8	178.4	-152.9	-174	-173.6	-161.7	0	112.4	K24 K25 D31 M32	K24-K28 PolarHBondContact O-N 2.71Å; K25-K28 PolarHBondContact O-N 2.81Å; K25-K28 VanDerWaalsContact O-N 3.14Å; K28-D31 PolarHBondContact O-N 2.65Å; K28-M32 PolarHBondContact O-N 3.34Å; K28-M32 VanDerWaalsContact O-N 3.16Å
29	D	51	Low	52	Low	95 Å²	95	109.5 Å²	109.5	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-65.8	-39.8	176.1	-67.3	-22.4	0	0	0	111.7	K25 D31 M32 D33	K25-D29 PolarHBondContact O-N 2.74Å; K25-D29 VanDerWaalsContact O-N 3.11Å; D29-D31 VanDerWaalsContact C-N 3.33Å; D29-D31 PolarHBondContact O-N 3.16Å; D29-M32 PolarHBondContact O-N 2.84Å; D29-D33 PolarHBondContact O-N 3.41Å
30	R	49.4	Very low	53.9	Low	184 Å²	184	110.6 Å²	110.6	69%	0.694	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-37.6	174.1	-91.6	-176.1	165.6	-174.4	-5.9	113.5	E34	R30-E34 PolarHBondContact O-N 2.77Å; R30-E34 VanDerWaalsContact O-N 3.11Å
31	D	64.9	Low	56.1	Low	99 Å²	99	104 Å²	104	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-68.4	-38	179.4	-152.2	14.4	0	0	0	111	K27 K28 D29 E34 L35	K27-D31 PolarHBondContact O-N 3.43Å; K28-D31 PolarHBondContact O-N 2.65Å; D29-D31 VanDerWaalsContact C-N 3.33Å; D29-D31 PolarHBondContact O-N 3.16Å; D31-E34 WeakPolarHBondContact O-CB 3.35Å; D31-E34 PolarHBondContact O-N 3.15Å; D31-L35 WeakPolarHBondContact O-CG 3.39Å; D31-L35 PolarHBondContact O-N 2.83Å
32	M	68.4	Low	58.4	Low	41 Å²	41	98.1 Å²	98.1	20%	0.202	48%	0.483	C	S	.	.	H	α-helix	trans	-68.5	-41.6	174.3	-73.7	-64.2	-65.6	0	0	112.9	K28 D29 E34 L35 K36 L273 L277	K28-M32 PolarHBondContact O-N 3.34Å; K28-M32 VanDerWaalsContact O-N 3.16Å; D29-M32 PolarHBondContact O-N 2.84Å; M32-E34 PolarHBondContact O-N 3.31Å; M32-L35 WeakPolarHBondContact O-CB 3.31Å; M32-L35 PolarHBondContact O-N 2.93Å; M32-L35 VanDerWaalsContact O-N 3.16Å; M32-L35 HydrophobicContact SD-CD1 4.1Å; M32-K36 WeakPolarHBondContact O-CG 3.44Å; M32-K36 PolarHBondContact O-N 2.86Å; M32-L273 HydrophobicContact CE-CD1 3.87Å; M32-L277 HydrophobicContact CE-CD2 4.13Å; M32-L277 HydrophobicContact CE-CG 4.18Å
33	D	67.9	Low	61.1	Low	96 Å²	96	91.2 Å²	91.2	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-28.8	174.4	-77.5	-19.6	0	0	0	112.2	D29	D29-D33 PolarHBondContact O-N 3.41Å
34	E	68.8	Low	63.8	Low	123 Å²	123	88.6 Å²	88.6	58%	0.575	43%	0.426	S	S	*	.	H	α-helix	trans	-71.6	-39.1	172.5	-166.6	171	179.6	0	0	111.9	R30 D31 M32 K36 K37	R30-E34 PolarHBondContact O-N 2.77Å; R30-E34 VanDerWaalsContact O-N 3.11Å; D31-E34 WeakPolarHBondContact O-CB 3.35Å; D31-E34 PolarHBondContact O-N 3.15Å; M32-E34 PolarHBondContact O-N 3.31Å; E34-K36 VanDerWaalsContact C-N 3.28Å; E34-K36 PolarHBondContact O-N 2.98Å; E34-K37 WeakPolarHBondContact O-CB 3.26Å; E34-K37 PolarHBondContact O-N 3.49Å; E34-K37 VanDerWaalsContact O-N 3.14Å
35	L	71.1	Confident	66.4	Low	32 Å²	32	83.1 Å²	83.1	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-66.3	-27.6	173	-71.9	170.3	0	0	0	113.4	D31 M32 K37 R269 T272 L273	D31-L35 WeakPolarHBondContact O-CG 3.39Å; D31-L35 PolarHBondContact O-N 2.83Å; M32-L35 WeakPolarHBondContact O-CB 3.31Å; M32-L35 PolarHBondContact O-N 2.93Å; M32-L35 VanDerWaalsContact O-N 3.16Å; M32-L35 HydrophobicContact SD-CD1 4.1Å; L35-K37 VanDerWaalsContact C-N 3.25Å; L35-K37 PolarHBondContact O-N 2.92Å; L35-R269 HydrophobicContact CD2-CB 4.41Å; L35-R269 HydrophobicContact CD2-CG 4.42Å; L35-T272 HydrophobicContact CD1-CG2 4.21Å; L35-L273 HydrophobicContact CB-CB 4.49Å; L35-L273 HydrophobicContact CB-CD1 4.02Å
36	K	70.5	Confident	69	Low	49 Å²	49	77.3 Å²	77.3	21%	0.213	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.7	173	-73.9	-174.5	172.8	-162	0	113.5	M32 E34 L273 Q696 L699 E703	M32-K36 WeakPolarHBondContact O-CG 3.44Å; M32-K36 PolarHBondContact O-N 2.86Å; E34-K36 VanDerWaalsContact C-N 3.28Å; E34-K36 PolarHBondContact O-N 2.98Å; K36-L273 HydrophobicContact CG-CD1 4.1Å; K36-Q696 WeakPolarHBondContact O-CB 3.46Å; K36-Q696 WeakPolarHBondContact O-CG 3.46Å; K36-L699 HydrophobicContact CD-CD2 4.48Å; K36-L699 HydrophobicContact CG-CD2 4.23Å; K36-E703 IonicContact NZ-OE1 2.91Å; K36-E703 PolarHBondContact NZ-OE1 3.29Å; K36-E703 IonicContact NZ-OE2 2.74Å; K36-E703 PolarHBondContact NZ-OE2 2.97Å
37	K	71.2	Confident	71.9	Confident	140 Å²	140	78.4 Å²	78.4	61%	0.609	38%	0.382	S	S	*	.	S	Bend	trans	-79.1	150.9	175.6	-66.7	176.6	-176.4	177	0	111	E34 L35 R269	E34-K37 WeakPolarHBondContact O-CB 3.26Å; E34-K37 PolarHBondContact O-N 3.49Å; E34-K37 VanDerWaalsContact O-N 3.14Å; L35-K37 VanDerWaalsContact C-N 3.25Å; L35-K37 PolarHBondContact O-N 2.92Å; K37-R269 PolarHBondContact O-NH2 2.86Å
38	E	67.1	Low	74.2	Confident	62 Å²	62	73.9 Å²	73.9	29%	0.29	37%	0.365	S	S	.	.			trans	-57.2	150.6	173.6	-66.9	-174.6	156.8	0	0	111.6	S40 K671	E38-S40 PolarHBondContact O-N 3.41Å; E38-K671 WeakPolarHBondContact OE2-CE 3.5Å; E38-K671 IonicContact OE2-NZ 2.72Å; E38-K671 PolarHBondContact OE2-NZ 3.46Å
39	V	70	Confident	76	Confident	14 Å²	14	71 Å²	71	9%	0.085	36%	0.357	C	S	.	.			trans	-71.7	114.3	178.7	-178.9	0	0	0	0	109.4	V266	V39-V266 HydrophobicContact CG1-CG2 4.19Å; V39-V266 HydrophobicContact CG2-CG1 4.28Å; V39-V266 HydrophobicContact CG2-CG2 4.39Å
40	S	70.1	Confident	78	Confident	92 Å²	92	70.9 Å²	70.9	64%	0.643	35%	0.353	S	S	*	.			trans	-84.3	128.3	160.5	53.7	0	0	0	0	109.8	E38	E38-S40 PolarHBondContact O-N 3.41Å
41	M	80.1	Confident	79.9	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.025	32%	0.321	C	S	.	.			trans	-132.2	137.4	168.8	179.6	-174	-71	0	0	105.5	D43 H44 P236 I242 V259 Y260	M41-D43 HydrophobicContact CG-CB 4.23Å; M41-H44 PolarHBondContact O-CE1 3.21Å; M41-H44 PolarHBondContact O-ND1 3.07Å; M41-H44 VanDerWaalsContact O-ND1 3.07Å; M41-P236 HydrophobicContact CB-CB 3.9Å; M41-P236 HydrophobicContact CB-CG 4.05Å; M41-P236 HydrophobicContact SD-CB 4.37Å; M41-I242 HydrophobicContact SD-CD1 3.65Å; M41-I242 HydrophobicContact SD-CG1 4.1Å; M41-V259 HydrophobicContact CE-CG1 4.46Å; M41-Y260 HydrophobicContact CE-CD2 3.69Å; M41-Y260 HydrophobicContact CE-CE2 3.61Å
42	D	84.8	Confident	81.1	Confident	96 Å²	96	60.7 Å²	60.7	51%	0.513	31%	0.311	S	S	.	.			trans	-117.5	-12.1	176.8	-70.3	-46.3	0	0	0	112.2	H44 K45	D42-H44 PolarHBondContact O-N 3.01Å; D42-H44 VanDerWaalsContact O-N 3.1Å; D42-K45 WeakPolarHBondContact O-CB 3.39Å; D42-K45 PolarHBondContact O-N 2.9Å; D42-K45 IonicContact OD1-NZ 3.09Å; D42-K45 PolarHBondContact OD1-NZ 2.92Å
43	D	88	Confident	82.3	Confident	5 Å²	5	67 Å²	67	3%	0.027	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.7	178	-73.3	-81.9	0	0	0	113.8	M41 K45 L51 K54 Y55 V259	M41-D43 HydrophobicContact CG-CB 4.23Å; D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 3.5Å; D43-L51 HydrophobicContact CB-CD1 4.41Å; D43-K54 WeakPolarHBondContact OD1-CD 3.44Å; D43-K54 VanDerWaalsContact OD1-CE 3.29Å; D43-K54 WeakPolarHBondContact OD1-CE 3.2Å; D43-K54 IonicContact OD1-NZ 3.71Å; D43-K54 PolarHBondContact OD1-NZ 3.1Å; D43-K54 IonicContact OD2-NZ 3.99Å; D43-K54 PolarHBondContact OD2-NZ 3.49Å; D43-Y55 WeakPolarHBondContact OD1-CE2 3.27Å; D43-Y55 PolarHBondContact OD1-OH 2.89Å; D43-Y55 PolarHBondContact OD2-OH 3.29Å; D43-V259 HydrophobicContact CB-CG1 3.8Å; D43-V259 HydrophobicContact CB-CG2 4.41Å
44	H	91.1	Very high	83.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.1	176.7	71	-70.5	0	0	0	114.3	M41 D42 R204 F231 E234 T239 N241 I242	M41-H44 PolarHBondContact O-CE1 3.21Å; M41-H44 PolarHBondContact O-ND1 3.07Å; M41-H44 VanDerWaalsContact O-ND1 3.07Å; D42-H44 PolarHBondContact O-N 3.01Å; D42-H44 VanDerWaalsContact O-N 3.1Å; H44-R204 PolarHBondContact O-NE 2.77Å; H44-F231 AromaticContact CD2-CD2 3.73Å; H44-F231 AromaticContact CD2-CE2 3.61Å; H44-F231 AromaticContact NE2-CE2 3.82Å; H44-E234 PolarHBondContact CE1-O 3.27Å; H44-E234 PolarHBondContact NE2-O 3.3Å; H44-T239 HydrophobicContact CB-CG2 4.21Å; H44-N241 WeakPolarHBondContact CB-OD1 3.33Å; H44-N241 PolarHBondContact O-ND2 2.87Å; H44-I242 HydrophobicContact CB-CD1 3.8Å; H44-I242 HydrophobicContact CB-CG1 3.68Å
45	K	92.8	Very high	84.6	Confident	87 Å²	87	64 Å²	64	38%	0.378	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-18.3	-179.2	-50.5	-176.5	-169	-177.3	0	112.7	D42 D43 F231 E234	D42-K45 WeakPolarHBondContact O-CB 3.39Å; D42-K45 PolarHBondContact O-N 2.9Å; D42-K45 IonicContact OD1-NZ 3.09Å; D42-K45 PolarHBondContact OD1-NZ 2.92Å; D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 3.5Å; K45-F231 HydrophobicContact CG-CD2 4.33Å; K45-F231 HydrophobicContact CG-CE2 3.87Å; K45-E234 WeakPolarHBondContact CE-OE2 3.34Å; K45-E234 IonicContact NZ-OE2 2.78Å; K45-E234 PolarHBondContact NZ-OE2 3.16Å
46	L	92.7	Very high	85.6	Confident	52 Å²	52	65.2 Å²	65.2	27%	0.272	33%	0.332	S	S	.	.	S	Bend	trans	-71.1	147.5	-178.3	-61	179.7	0	0	0	111.8	E50 K54	L46-E50 HydrophobicContact CB-CB 4.17Å; L46-E50 HydrophobicContact CD2-CB 4.48Å; L46-K54 HydrophobicContact CD1-CD 4.01Å
47	S	93.1	Very high	86.7	Confident	56 Å²	56	62.9 Å²	62.9	39%	0.392	32%	0.322	S	S	.	.			trans	-67.7	160.8	168.7	66.6	0	0	0	0	111.3	D49 E50 L51	S47-D49 PolarHBondContact O-N 3.07Å; S47-E50 WeakPolarHBondContact CB-OE2 3.45Å; S47-E50 PolarHBondContact N-OE2 3.04Å; S47-E50 PolarHBondContact O-N 2.89Å; S47-E50 VanDerWaalsContact OG-CG 3.26Å; S47-E50 WeakPolarHBondContact OG-CG 3.39Å; S47-E50 PolarHBondContact OG-N 2.8Å; S47-E50 PolarHBondContact OG-OE2 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.25Å; S47-L51 PolarHBondContact O-N 2.99Å
48	L	92.1	Very high	87.8	Confident	72 Å²	72	59.3 Å²	59.3	38%	0.377	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-32.7	179.7	-65.7	175.2	0	0	0	112.9	H52 L59 I206	L48-H52 VanDerWaalsContact O-CB 3.27Å; L48-H52 WeakPolarHBondContact O-CB 3.47Å; L48-H52 PolarHBondContact O-N 2.61Å; L48-L59 HydrophobicContact CB-CD1 4.06Å; L48-I206 HydrophobicContact CD2-CB 3.86Å; L48-I206 HydrophobicContact CD2-CG2 3.56Å
49	D	90.2	Very high	88.9	Confident	90 Å²	90	59.1 Å²	59.1	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-72.2	-40	177.7	-171.2	59	0	0	0	112	S47 H52 R53	S47-D49 PolarHBondContact O-N 3.07Å; D49-H52 PolarHBondContact O-N 2.93Å; D49-R53 WeakPolarHBondContact O-CB 3.32Å; D49-R53 PolarHBondContact O-N 3.43Å; D49-R53 IonicContact OD2-CZ 3.73Å; D49-R53 IonicContact OD2-NH2 2.69Å; D49-R53 PolarHBondContact OD2-NH2 3.3Å
50	E	92.7	Very high	89.9	Confident	93 Å²	93	62.1 Å²	62.1	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-40.4	174.4	-71.3	165.2	148.1	0	0	111.5	L46 S47 R53 K54	L46-E50 HydrophobicContact CB-CB 4.17Å; L46-E50 HydrophobicContact CD2-CB 4.48Å; S47-E50 WeakPolarHBondContact CB-OE2 3.45Å; S47-E50 PolarHBondContact N-OE2 3.04Å; S47-E50 PolarHBondContact O-N 2.89Å; S47-E50 VanDerWaalsContact OG-CG 3.26Å; S47-E50 WeakPolarHBondContact OG-CG 3.39Å; S47-E50 PolarHBondContact OG-N 2.8Å; S47-E50 PolarHBondContact OG-OE2 3.29Å; E50-R53 PolarHBondContact O-N 2.67Å; E50-K54 WeakPolarHBondContact O-CB 3.26Å; E50-K54 PolarHBondContact O-N 2.91Å
51	L	91.3	Very high	90.9	Very high	1 Å²	1	65 Å²	65	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-45.9	176.4	-164.9	79.7	0	0	0	111.4	D43 S47 R53 K54 Y55 R204 I206 I257	D43-L51 HydrophobicContact CB-CD1 4.41Å; S47-L51 WeakPolarHBondContact O-CB 3.25Å; S47-L51 PolarHBondContact O-N 2.99Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 2.98Å; L51-K54 PolarHBondContact O-N 3.39Å; L51-Y55 HydrophobicContact CD1-CD2 4.06Å; L51-Y55 HydrophobicContact CD1-CE2 3.67Å; L51-Y55 HydrophobicContact CG-CD2 4.12Å; L51-Y55 HydrophobicContact CG-CE2 4.25Å; L51-Y55 WeakPolarHBondContact O-CD2 3.42Å; L51-Y55 PolarHBondContact O-N 2.98Å; L51-Y55 VanDerWaalsContact O-N 3.15Å; L51-R204 HydrophobicContact CD1-CG 4.16Å; L51-R204 HydrophobicContact CD2-CB 4.05Å; L51-R204 HydrophobicContact CD2-CG 3.5Å; L51-R204 VanDerWaalsContact CD2-CG 3.5Å; L51-R204 HydrophobicContact CG-CG 4.49Å; L51-I206 HydrophobicContact CD2-CG2 4.27Å; L51-I257 HydrophobicContact CD2-CB 4.4Å; L51-I257 HydrophobicContact CD2-CD1 3.73Å; L51-I257 HydrophobicContact CG-CD1 4.28Å
52	H	90.1	Very high	91.6	Very high	69 Å²	69	65.1 Å²	65.1	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-54.1	-47.4	172.4	165.9	67.6	0	0	0	111.2	L48 D49 G56 T57 L59	L48-H52 VanDerWaalsContact O-CB 3.27Å; L48-H52 WeakPolarHBondContact O-CB 3.47Å; L48-H52 PolarHBondContact O-N 2.61Å; D49-H52 PolarHBondContact O-N 2.93Å; H52-G56 VanDerWaalsContact O-CA 3.31Å; H52-G56 WeakPolarHBondContact O-CA 3.47Å; H52-G56 PolarHBondContact O-N 2.88Å; H52-T57 PolarHBondContact CE1-O 2.63Å; H52-T57 PolarHBondContact ND1-O 2.92Å; H52-T57 PolarHBondContact O-N 3.42Å; H52-L59 HydrophobicContact CB-CD1 4.48Å; H52-L59 HydrophobicContact CB-CD2 4.32Å; H52-L59 HydrophobicContact CB-CG 4.27Å
53	R	91.8	Very high	92	Very high	173 Å²	173	60.8 Å²	60.8	65%	0.653	31%	0.308	S	S	*	.	H	α-helix	trans	-69.4	-38	-178.7	-163.9	-178.4	-57.5	157.5	4.5	112.9	D49 E50 L51	D49-R53 WeakPolarHBondContact O-CB 3.32Å; D49-R53 PolarHBondContact O-N 3.43Å; D49-R53 IonicContact OD2-CZ 3.73Å; D49-R53 IonicContact OD2-NH2 2.69Å; D49-R53 PolarHBondContact OD2-NH2 3.3Å; E50-R53 PolarHBondContact O-N 2.67Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 2.98Å
54	K	93.3	Very high	92.4	Very high	115 Å²	115	64 Å²	64	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-44.6	179.5	-177.4	175	177.3	-178.8	0	111.7	D43 L46 E50 L51	D43-K54 WeakPolarHBondContact OD1-CD 3.44Å; D43-K54 VanDerWaalsContact OD1-CE 3.29Å; D43-K54 WeakPolarHBondContact OD1-CE 3.2Å; D43-K54 IonicContact OD1-NZ 3.71Å; D43-K54 PolarHBondContact OD1-NZ 3.1Å; D43-K54 IonicContact OD2-NZ 3.99Å; D43-K54 PolarHBondContact OD2-NZ 3.49Å; L46-K54 HydrophobicContact CD1-CD 4.01Å; E50-K54 WeakPolarHBondContact O-CB 3.26Å; E50-K54 PolarHBondContact O-N 2.91Å; L51-K54 PolarHBondContact O-N 3.39Å
55	Y	93.1	Very high	92.4	Very high	41 Å²	41	66.6 Å²	66.6	16%	0.161	35%	0.346	C	S	.	.	H	α-helix	trans	-94.7	-14.6	-177.1	-64.9	-66.5	0	0	0	114.1	D43 L51 T57 V187 I257	D43-Y55 WeakPolarHBondContact OD1-CE2 3.27Å; D43-Y55 PolarHBondContact OD1-OH 2.89Å; D43-Y55 PolarHBondContact OD2-OH 3.29Å; L51-Y55 HydrophobicContact CD1-CD2 4.06Å; L51-Y55 HydrophobicContact CD1-CE2 3.67Å; L51-Y55 HydrophobicContact CG-CD2 4.12Å; L51-Y55 HydrophobicContact CG-CE2 4.25Å; L51-Y55 WeakPolarHBondContact O-CD2 3.42Å; L51-Y55 PolarHBondContact O-N 2.98Å; L51-Y55 VanDerWaalsContact O-N 3.15Å; Y55-T57 VanDerWaalsContact C-N 3.32Å; Y55-V187 HydrophobicContact CD1-CG1 3.69Å; Y55-V187 HydrophobicContact CE1-CG1 3.56Å; Y55-I257 HydrophobicContact CD2-CG2 4.3Å
56	G	91.7	Very high	92.4	Very high	58 Å²	58	66.1 Å²	66.1	60%	0.598	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	32.4	-177.8	0	0	0	0	0	113	H52	H52-G56 VanDerWaalsContact O-CA 3.31Å; H52-G56 WeakPolarHBondContact O-CA 3.47Å; H52-G56 PolarHBondContact O-N 2.88Å
57	T	92.7	Very high	92.5	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.362	C	S	.	.			trans	-114.4	127.5	-172.1	-64.6	0	0	0	0	111.3	H52 Y55 L59 L63 G188	H52-T57 PolarHBondContact CE1-O 2.63Å; H52-T57 PolarHBondContact ND1-O 2.92Å; H52-T57 PolarHBondContact O-N 3.42Å; Y55-T57 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.4Å; T57-L63 HydrophobicContact CG2-CD2 4.45Å; T57-L63 HydrophobicContact CG2-CG 4.23Å; T57-L63 VanDerWaalsContact OG1-CD2 3.25Å; T57-L63 WeakPolarHBondContact OG1-CD2 3.43Å; T57-G188 VanDerWaalsContact CB-O 3.28Å; T57-G188 WeakPolarHBondContact CB-O 3.48Å; T57-G188 WeakPolarHBondContact CG2-O 3.24Å; T57-G188 PolarHBondContact OG1-O 3.44Å
58	D	94.3	Very high	92.5	Very high	64 Å²	64	65.5 Å²	65.5	34%	0.342	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-65.8	128.1	171.8	-170.3	-66.2	0	0	0	111.7	S60 R61 G62	D58-S60 PolarHBondContact O-N 3.39Å; D58-S60 VanDerWaalsContact O-N 3.16Å; D58-S60 WeakPolarHBondContact OD1-CA 2.93Å; D58-S60 WeakPolarHBondContact OD1-CB 3.28Å; D58-S60 PolarHBondContact OD1-N 2.76Å; D58-S60 PolarHBondContact OD1-OG 3.27Å; D58-R61 HydrophobicContact CB-CB 4.1Å; D58-R61 PolarHBondContact OD1-N 3.47Å; D58-G62 VanDerWaalsContact O-CA 3.27Å; D58-G62 WeakPolarHBondContact O-CA 3.25Å; D58-G62 PolarHBondContact O-N 3.39Å
59	L	91.6	Very high	92.6	Very high	58 Å²	58	64.9 Å²	64.9	30%	0.304	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.1	-176.7	-62.2	175.8	0	0	0	113.9	L48 H52 T57 L190 I206 I257	L48-L59 HydrophobicContact CB-CD1 4.06Å; H52-L59 HydrophobicContact CB-CD1 4.48Å; H52-L59 HydrophobicContact CB-CD2 4.32Å; H52-L59 HydrophobicContact CB-CG 4.27Å; T57-L59 PolarHBondContact O-N 3.4Å; L59-L190 WeakPolarHBondContact O-CD2 3.43Å; L59-I206 HydrophobicContact CB-CD1 4.29Å; L59-I206 HydrophobicContact CD2-CD1 4.16Å; L59-I206 HydrophobicContact CD2-CG2 4.45Å; L59-I206 WeakPolarHBondContact O-CD1 3.37Å; L59-I257 HydrophobicContact CD2-CD1 3.46Å; L59-I257 VanDerWaalsContact CD2-CD1 3.46Å
60	S	91.4	Very high	92.8	Very high	77 Å²	77	65.8 Å²	65.8	54%	0.538	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-40.8	-178.9	72.4	0	0	0	0	113.2	D58	D58-S60 PolarHBondContact O-N 3.39Å; D58-S60 VanDerWaalsContact O-N 3.16Å; D58-S60 WeakPolarHBondContact OD1-CA 2.93Å; D58-S60 WeakPolarHBondContact OD1-CB 3.28Å; D58-S60 PolarHBondContact OD1-N 2.76Å; D58-S60 PolarHBondContact OD1-OG 3.27Å
61	R	90.9	Very high	92.9	Very high	152 Å²	152	61.7 Å²	61.7	57%	0.574	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-13.8	-176	-55.3	-173	76.4	177.5	3.2	113	D58 N174 G175	D58-R61 HydrophobicContact CB-CB 4.1Å; D58-R61 PolarHBondContact OD1-N 3.47Å; R61-N174 PolarHBondContact O-N 2.81Å; R61-G175 PolarHBondContact O-N 3.01Å
62	G	93.7	Very high	93.1	Very high	8 Å²	8	64 Å²	64	8%	0.082	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	67.3	-160.1	-174.6	0	0	0	0	0	113.2	D58 I172	D58-G62 VanDerWaalsContact O-CA 3.27Å; D58-G62 WeakPolarHBondContact O-CA 3.25Å; D58-G62 PolarHBondContact O-N 3.39Å; G62-I172 WeakPolarHBondContact CA-O 3.43Å
63	L	94.3	Very high	93.2	Very high	6 Å²	6	65 Å²	65	3%	0.031	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-77.8	162.1	177.4	-74.5	175.5	0	0	0	112.1	T57 R67 I71 R173 N174 V186 G188	T57-L63 HydrophobicContact CG2-CD2 4.45Å; T57-L63 HydrophobicContact CG2-CG 4.23Å; T57-L63 VanDerWaalsContact OG1-CD2 3.25Å; T57-L63 WeakPolarHBondContact OG1-CD2 3.43Å; L63-R67 HydrophobicContact CD2-CG 4.06Å; L63-I71 HydrophobicContact CD1-CD1 4.01Å; L63-R173 CarbonylContact O-C 3.49Å; L63-R173 WeakPolarHBondContact O-CA 3.27Å; L63-R173 WeakPolarHBondContact O-CB 3.45Å; L63-N174 PolarHBondContact O-N 2.89Å; L63-V186 HydrophobicContact CD1-CG2 4.16Å; L63-G188 VanDerWaalsContact CD1-C 3.45Å; L63-G188 WeakPolarHBondContact CG-O 3.42Å
64	T	94.8	Very high	93.3	Very high	71 Å²	71	64.1 Å²	64.1	44%	0.436	36%	0.361	S	S	.	.			trans	-80.1	147.3	166.3	64.3	0	0	0	0	110.6	A66 R67 A68 N174	T64-A66 PolarHBondContact O-N 3.4Å; T64-R67 PolarHBondContact O-N 3.09Å; T64-R67 VanDerWaalsContact O-N 3.07Å; T64-R67 VanDerWaalsContact OG1-CB 3.26Å; T64-R67 WeakPolarHBondContact OG1-CB 3.29Å; T64-R67 PolarHBondContact OG1-N 3.49Å; T64-A68 PolarHBondContact O-N 3.43Å; T64-N174 VanDerWaalsContact CA-OD1 3.25Å; T64-N174 WeakPolarHBondContact CA-OD1 3.46Å; T64-N174 WeakPolarHBondContact CB-OD1 3.45Å
65	S	92.4	Very high	93.2	Very high	55 Å²	55	60.6 Å²	60.6	39%	0.385	35%	0.348	S	S	.	.	H	α-helix	trans	-57.7	-34.8	178.9	-53.1	0	0	0	0	113	A68 A69 N174	S65-A68 PolarHBondContact O-N 3.07Å; S65-A69 PolarHBondContact O-N 2.9Å; S65-A69 VanDerWaalsContact O-N 3.09Å; S65-N174 PolarHBondContact OG-ND2 2.95Å
66	A	93.1	Very high	93.1	Very high	78 Å²	78	59.9 Å²	59.9	65%	0.645	35%	0.353	S	S	*	.	H	α-helix	trans	-66.6	-42.8	176.2	0	0	0	0	0	111.9	T64 A69 E70	T64-A66 PolarHBondContact O-N 3.4Å; A66-A69 PolarHBondContact O-N 3.25Å; A66-E70 PolarHBondContact O-N 2.69Å; A66-E70 VanDerWaalsContact O-N 3.07Å
67	R	93.7	Very high	93.2	Very high	93 Å²	93	60.8 Å²	60.8	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-39.2	176.7	-175.6	56.9	175.4	179.7	4.2	111.6	L63 T64 A69 E70 I71	L63-R67 HydrophobicContact CD2-CG 4.06Å; T64-R67 PolarHBondContact O-N 3.09Å; T64-R67 VanDerWaalsContact O-N 3.07Å; T64-R67 VanDerWaalsContact OG1-CB 3.26Å; T64-R67 WeakPolarHBondContact OG1-CB 3.29Å; T64-R67 PolarHBondContact OG1-N 3.49Å; R67-A69 PolarHBondContact O-N 3.08Å; R67-E70 WeakPolarHBondContact CD-OE2 3.42Å; R67-E70 IonicContact CZ-OE1 3.78Å; R67-E70 IonicContact CZ-OE2 3.7Å; R67-E70 IonicContact NE-OE2 2.76Å; R67-E70 IonicContact NH1-OE1 2.8Å; R67-E70 PolarHBondContact NH1-OE1 3.43Å; R67-E70 IonicContact NH1-OE2 2.71Å; R67-E70 PolarHBondContact NH1-OE2 3.07Å; R67-E70 WeakPolarHBondContact O-CB 3.41Å; R67-E70 PolarHBondContact O-N 3.46Å; R67-I71 HydrophobicContact CG-CD1 4.03Å; R67-I71 WeakPolarHBondContact O-CG1 3.49Å; R67-I71 PolarHBondContact O-N 3.11Å
68	A	93.6	Very high	93.1	Very high	2 Å²	2	61.1 Å²	61.1	2%	0.017	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-44.2	176.2	0	0	0	0	0	111.9	T64 S65 E70 I71 L72 R173 V186	T64-A68 PolarHBondContact O-N 3.43Å; S65-A68 PolarHBondContact O-N 3.07Å; A68-E70 VanDerWaalsContact C-N 3.34Å; A68-E70 PolarHBondContact O-N 3.45Å; A68-I71 PolarHBondContact O-N 2.91Å; A68-L72 WeakPolarHBondContact O-CB 3.41Å; A68-L72 PolarHBondContact O-N 3.31Å; A68-R173 VanDerWaalsContact CB-CZ 3.5Å; A68-V186 HydrophobicContact CB-CG2 3.98Å
69	A	93.4	Very high	92.6	Very high	58 Å²	58	59.7 Å²	59.7	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-36.8	175.8	0	0	0	0	0	113	S65 A66 R67 L72 A73	S65-A69 PolarHBondContact O-N 2.9Å; S65-A69 VanDerWaalsContact O-N 3.09Å; A66-A69 PolarHBondContact O-N 3.25Å; R67-A69 PolarHBondContact O-N 3.08Å; A69-L72 PolarHBondContact O-N 3.46Å; A69-A73 PolarHBondContact O-N 2.8Å; A69-A73 VanDerWaalsContact O-N 3.07Å
70	E	95.6	Very high	92.1	Very high	110 Å²	110	60 Å²	60	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-45	174.3	-171.9	-166.9	159.2	0	0	111.7	A66 R67 A68 A73 R74	A66-E70 PolarHBondContact O-N 2.69Å; A66-E70 VanDerWaalsContact O-N 3.07Å; R67-E70 WeakPolarHBondContact CD-OE2 3.42Å; R67-E70 IonicContact CZ-OE1 3.78Å; R67-E70 IonicContact CZ-OE2 3.7Å; R67-E70 IonicContact NE-OE2 2.76Å; R67-E70 IonicContact NH1-OE1 2.8Å; R67-E70 PolarHBondContact NH1-OE1 3.43Å; R67-E70 IonicContact NH1-OE2 2.71Å; R67-E70 PolarHBondContact NH1-OE2 3.07Å; R67-E70 WeakPolarHBondContact O-CB 3.41Å; R67-E70 PolarHBondContact O-N 3.46Å; A68-E70 VanDerWaalsContact C-N 3.34Å; A68-E70 PolarHBondContact O-N 3.45Å; E70-A73 PolarHBondContact O-N 3.49Å; E70-R74 WeakPolarHBondContact O-CB 3.45Å; E70-R74 PolarHBondContact O-N 3.06Å; E70-R74 VanDerWaalsContact O-N 3.08Å
71	I	95.1	Very high	91.5	Very high	7 Å²	7	61 Å²	61	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-39	178.5	-62.1	168.4	0	0	0	110.5	L63 R67 A68 A73 R74 D75 V186	L63-I71 HydrophobicContact CD1-CD1 4.01Å; R67-I71 HydrophobicContact CG-CD1 4.03Å; R67-I71 WeakPolarHBondContact O-CG1 3.49Å; R67-I71 PolarHBondContact O-N 3.11Å; A68-I71 PolarHBondContact O-N 2.91Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 2.96Å; I71-R74 PolarHBondContact O-N 2.85Å; I71-R74 VanDerWaalsContact O-N 3.11Å; I71-D75 HydrophobicContact CG2-CB 4.49Å; I71-D75 VanDerWaalsContact CG2-OD2 3.3Å; I71-D75 WeakPolarHBondContact CG2-OD2 3.22Å; I71-D75 WeakPolarHBondContact O-CB 3.16Å; I71-D75 PolarHBondContact O-N 2.94Å; I71-V186 HydrophobicContact CB-CB 4.08Å; I71-V186 HydrophobicContact CB-CG1 4.36Å; I71-V186 HydrophobicContact CB-CG2 4.15Å; I71-V186 HydrophobicContact CD1-CG2 4.47Å; I71-V186 HydrophobicContact CG2-CB 3.72Å; I71-V186 HydrophobicContact CG2-CG1 4.23Å; I71-V186 HydrophobicContact CG2-CG2 4.21Å
72	L	94.3	Very high	90.6	Very high	48 Å²	48	58.6 Å²	58.6	25%	0.251	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-44	176.9	-173.6	64.3	0	0	0	111.4	A68 A69 R74 G76 V186	A68-L72 WeakPolarHBondContact O-CB 3.41Å; A68-L72 PolarHBondContact O-N 3.31Å; A69-L72 PolarHBondContact O-N 3.46Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.82Å; L72-G76 CarbonylContact O-C 3.54Å; L72-G76 WeakPolarHBondContact O-CA 3.49Å; L72-G76 PolarHBondContact O-N 2.68Å; L72-V186 HydrophobicContact CB-CG1 3.69Å; L72-V186 HydrophobicContact CD1-CG1 3.93Å; L72-V186 HydrophobicContact CG-CG1 4.41Å
73	A	93.4	Very high	89.3	Confident	92 Å²	92	61.4 Å²	61.4	76%	0.76	37%	0.372	S	S	*	.	H	α-helix	trans	-68.2	-28.9	176.3	0	0	0	0	0	113.1	A69 E70 I71	A69-A73 PolarHBondContact O-N 2.8Å; A69-A73 VanDerWaalsContact O-N 3.07Å; E70-A73 PolarHBondContact O-N 3.49Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 2.96Å
74	R	92.9	Very high	88.2	Confident	153 Å²	153	67.3 Å²	67.3	58%	0.577	41%	0.411	S	S	*	.	H	α-helix	trans	-79.3	-47.9	179.2	-173.3	-168.2	70.9	-170.2	-1.9	112.7	E70 I71 L72	E70-R74 WeakPolarHBondContact O-CB 3.45Å; E70-R74 PolarHBondContact O-N 3.06Å; E70-R74 VanDerWaalsContact O-N 3.08Å; I71-R74 PolarHBondContact O-N 2.85Å; I71-R74 VanDerWaalsContact O-N 3.11Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.82Å
75	D	90.9	Very high	87.1	Confident	41 Å²	41	69.8 Å²	69.8	22%	0.219	43%	0.426	C	S	.	.	H	α-helix	trans	-99.9	-13.2	-167.5	-67	-10.8	0	0	0	113.6	I71 R264	I71-D75 HydrophobicContact CG2-CB 4.49Å; I71-D75 VanDerWaalsContact CG2-OD2 3.3Å; I71-D75 WeakPolarHBondContact CG2-OD2 3.22Å; I71-D75 WeakPolarHBondContact O-CB 3.16Å; I71-D75 PolarHBondContact O-N 2.94Å; D75-R264 PolarHBondContact O-NH2 3.1Å
76	G	92.3	Very high	86.3	Confident	26 Å²	26	70.4 Å²	70.4	27%	0.268	43%	0.428	S	S	.	.			trans	84.4	173.3	-173.4	0	0	0	0	0	113.4	L72	L72-G76 CarbonylContact O-C 3.54Å; L72-G76 WeakPolarHBondContact O-CA 3.49Å; L72-G76 PolarHBondContact O-N 2.68Å
77	P	91.9	Very high	86.1	Confident	78 Å²	78	69.7 Å²	69.7	51%	0.506	42%	0.417	S	S	.	.			trans	-65.1	151.6	177.4	28	-34.2	0	0	0	111.9	A79 E183	P77-A79 PolarHBondContact O-N 3.4Å; P77-E183 CarbonylContact C-O 3.31Å; P77-E183 WeakPolarHBondContact CA-O 2.94Å; P77-E183 HydrophobicContact CB-CB 4.33Å
78	N	91.4	Very high	85.7	Confident	7 Å²	7	69 Å²	69	4%	0.037	42%	0.418	C	S	.	.	S	Bend	trans	-77.9	68.6	171	177	49.1	0	0	0	110.7	A182 E183 V185 P200 T261 G262	N78-A182 WeakPolarHBondContact CB-O 3.48Å; N78-A182 PolarHBondContact ND2-O 2.98Å; N78-E183 PolarHBondContact N-O 3.04Å; N78-V185 HydrophobicContact CB-CB 4.34Å; N78-V185 WeakPolarHBondContact CB-O 2.97Å; N78-P200 PolarHBondContact ND2-O 2.88Å; N78-T261 HydrophobicContact CB-CG2 4.25Å; N78-T261 WeakPolarHBondContact OD1-CA 3.5Å; N78-T261 WeakPolarHBondContact OD1-CB 3.45Å; N78-G262 PolarHBondContact OD1-N 2.93Å
79	A	84.9	Confident	85.4	Confident	33 Å²	33	78 Å²	78	27%	0.273	45%	0.451	S	S	.	.	S	Bend	trans	-136.6	155.4	175.8	0	0	0	0	0	109.2	P77 E183 G262	P77-A79 PolarHBondContact O-N 3.4Å; A79-E183 HydrophobicContact CB-CG 4.31Å; A79-G262 WeakPolarHBondContact O-CA 3.44Å
80	L	80.2	Confident	85.2	Confident	66 Å²	66	78.7 Å²	78.7	35%	0.346	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-76.8	131.7	171.9	-61.7	-177.1	0	0	0	109.4	P82 F245 D263 G268 A271	L80-P82 WeakPolarHBondContact O-CD 3.48Å; L80-F245 HydrophobicContact CD1-CE1 4.28Å; L80-F245 HydrophobicContact CD2-CE1 4.29Å; L80-F245 HydrophobicContact CG-CE1 4.24Å; L80-D263 WeakPolarHBondContact CA-OD1 3.41Å; L80-G268 VanDerWaalsContact CD2-CA 3.44Å; L80-A271 HydrophobicContact CD1-CB 4.05Å
81	T	78.6	Confident	84.6	Confident	96 Å²	96	75.2 Å²	75.2	59%	0.589	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-70.9	122.4	177.9	-50.8	0	0	0	0	108.9	D263	T81-D263 VanDerWaalsContact CB-OD2 3.22Å; T81-D263 WeakPolarHBondContact CB-OD2 3.15Å; T81-D263 PolarHBondContact N-OD1 2.77Å; T81-D263 PolarHBondContact OG1-OD2 3.27Å
82	P	71.1	Confident	84.3	Confident	103 Å²	103	77.6 Å²	77.6	67%	0.669	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-62.6	140.1	177.6	23.4	-30.7	0	0	0	109.9	L80	L80-P82 WeakPolarHBondContact O-CD 3.48Å
83	P	67.8	Low	84	Confident	66 Å²	66	78 Å²	78	43%	0.429	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-62.4	147.4	-179.9	25.1	-33.2	0	0	0	110.8	T85	P83-T85 PolarHBondContact O-N 2.84Å
84	P	71.1	Confident	83.6	Confident	131 Å²	131	82 Å²	82	85%	0.851	44%	0.441	S	S	*	.			trans	-60.5	114	177.5	24.9	-32.5	0	0	0	109.2
85	T	71.9	Confident	83.1	Confident	122 Å²	122	78 Å²	78	75%	0.748	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-75.5	137.5	179.1	52.5	0	0	0	0	109.7	P83 P87	P83-T85 PolarHBondContact O-N 2.84Å; T85-P87 VanDerWaalsContact O-CD 3.26Å; T85-P87 WeakPolarHBondContact O-CD 3.33Å
86	T	76.1	Confident	82.9	Confident	69 Å²	69	76.8 Å²	76.8	42%	0.423	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-69.5	120.7	168.4	39	0	0	0	0	108.3	E88 K91	T86-E88 PolarHBondContact O-N 2.8Å; T86-K91 WeakPolarHBondContact O-CE 3.5Å; T86-K91 WeakPolarHBondContact OG1-CE 3.48Å
87	P	87.3	Confident	82.6	Confident	63 Å²	63	81.1 Å²	81.1	41%	0.409	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-59.5	140.6	179.8	-25.2	35	0	0	0	111.3	T85 W89 I90 K91	T85-P87 VanDerWaalsContact O-CD 3.26Å; T85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-W89 VanDerWaalsContact C-N 3.26Å; P87-W89 VanDerWaalsContact CB-CD1 3.45Å; P87-W89 PolarHBondContact O-N 2.88Å; P87-W89 VanDerWaalsContact O-N 3.16Å; P87-I90 HydrophobicContact CB-CD1 4.25Å; P87-I90 HydrophobicContact CG-CD1 4.06Å; P87-I90 WeakPolarHBondContact O-CB 3.3Å; P87-I90 PolarHBondContact O-N 2.67Å; P87-K91 PolarHBondContact O-N 2.85Å
88	E	85.5	Confident	81.8	Confident	79 Å²	79	79 Å²	79	37%	0.369	43%	0.427	S	S	.	.	H	α-helix	trans	-56.6	-35.6	-171.4	-71.7	-58.7	134.3	0	0	113.9	T86 I90 K91 F92 Y148	T86-E88 PolarHBondContact O-N 2.8Å; E88-I90 VanDerWaalsContact C-N 3.26Å; E88-I90 PolarHBondContact O-N 3.33Å; E88-K91 PolarHBondContact O-N 2.91Å; E88-K91 IonicContact OE1-NZ 3.86Å; E88-K91 PolarHBondContact OE1-NZ 3.01Å; E88-F92 PolarHBondContact O-N 2.89Å; E88-Y148 WeakPolarHBondContact CB-OH 3.14Å; E88-Y148 WeakPolarHBondContact OE2-CE2 3.46Å; E88-Y148 VanDerWaalsContact OE2-CZ 3.3Å; E88-Y148 PolarHBondContact OE2-OH 2.81Å
89	W	88.1	Confident	81	Confident	189 Å²	189	80.2 Å²	80.2	72%	0.716	44%	0.441	S	S	*	.	H	α-helix	trans	-61.8	-28.6	176.3	66.2	-6	0	0	0	114.2	P87 C93	P87-W89 VanDerWaalsContact C-N 3.26Å; P87-W89 VanDerWaalsContact CB-CD1 3.45Å; P87-W89 PolarHBondContact O-N 2.88Å; P87-W89 VanDerWaalsContact O-N 3.16Å; W89-C93 WeakPolarHBondContact O-CB 3.26Å; W89-C93 PolarHBondContact O-N 3.49Å; W89-C93 PolarHBondContact O-SG 2.83Å
90	I	89.6	Confident	80.4	Confident	73 Å²	73	79.1 Å²	79.1	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-80.1	-39.2	-178.5	-75.9	156.4	0	0	0	108.2	P87 E88 F92 C93 R94	P87-I90 HydrophobicContact CB-CD1 4.25Å; P87-I90 HydrophobicContact CG-CD1 4.06Å; P87-I90 WeakPolarHBondContact O-CB 3.3Å; P87-I90 PolarHBondContact O-N 2.67Å; E88-I90 VanDerWaalsContact C-N 3.26Å; E88-I90 PolarHBondContact O-N 3.33Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-C93 PolarHBondContact O-N 2.78Å; I90-R94 WeakPolarHBondContact O-CG 3.4Å; I90-R94 PolarHBondContact O-N 3.27Å
91	K	82.8	Confident	80.5	Confident	38 Å²	38	76.1 Å²	76.1	17%	0.165	41%	0.414	C	S	.	.	H	α-helix	trans	-59.2	-47.6	171.5	-60.7	-178.9	-174.5	166.9	0	110.1	T86 P87 E88 C93 R94 Q95 Y148	T86-K91 WeakPolarHBondContact O-CE 3.5Å; T86-K91 WeakPolarHBondContact OG1-CE 3.48Å; P87-K91 PolarHBondContact O-N 2.85Å; E88-K91 PolarHBondContact O-N 2.91Å; E88-K91 IonicContact OE1-NZ 3.86Å; E88-K91 PolarHBondContact OE1-NZ 3.01Å; K91-C93 PolarHBondContact O-N 2.83Å; K91-R94 PolarHBondContact O-N 2.87Å; K91-Q95 PolarHBondContact O-N 2.83Å; K91-Y148 HydrophobicContact CB-CD2 4.34Å; K91-Y148 HydrophobicContact CB-CE2 4.22Å
92	F	87.5	Confident	80.8	Confident	56 Å²	56	75.6 Å²	75.6	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-58.1	-49.6	175.5	179.4	-109.1	0	0	0	112.6	E88 I90 R94 Q95 L96 C145 Y148	E88-F92 PolarHBondContact O-N 2.89Å; I90-F92 VanDerWaalsContact C-N 3.33Å; F92-R94 VanDerWaalsContact C-N 3.32Å; F92-R94 PolarHBondContact O-N 3.25Å; F92-Q95 PolarHBondContact O-N 3.42Å; F92-Q95 VanDerWaalsContact O-N 3.16Å; F92-L96 HydrophobicContact CD1-CD1 4.08Å; F92-L96 HydrophobicContact CE1-CD1 3.55Å; F92-L96 HydrophobicContact CE1-CG 4.34Å; F92-L96 HydrophobicContact CZ-CD1 3.9Å; F92-L96 HydrophobicContact CZ-CD2 4.41Å; F92-L96 HydrophobicContact CZ-CG 4.32Å; F92-L96 PolarHBondContact O-N 2.94Å; F92-C145 HydrophobicContact CE2-CB 4.45Å; F92-Y148 HydrophobicContact CB-CD2 3.95Å; F92-Y148 HydrophobicContact CB-CE2 4.29Å; F92-Y148 HydrophobicContact CB-CG 4.13Å; F92-Y148 AromaticContact CD2-CD1 3.95Å; F92-Y148 HydrophobicContact CD2-CD1 3.95Å; F92-Y148 HydrophobicContact CD2-CD2 4.42Å; F92-Y148 AromaticContact CD2-CG 3.76Å; F92-Y148 HydrophobicContact CD2-CG 3.76Å; F92-Y148 HydrophobicContact CG-CG 4.43Å
93	C	89.4	Confident	81.2	Confident	58 Å²	58	71.9 Å²	71.9	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-35.4	177.8	-70.6	0	0	0	0	113.2	W89 I90 K91 Q95 L96 F97	W89-C93 WeakPolarHBondContact O-CB 3.26Å; W89-C93 PolarHBondContact O-N 3.49Å; W89-C93 PolarHBondContact O-SG 2.83Å; I90-C93 PolarHBondContact O-N 2.78Å; K91-C93 PolarHBondContact O-N 2.83Å; C93-Q95 VanDerWaalsContact C-N 3.26Å; C93-Q95 PolarHBondContact O-N 2.99Å; C93-L96 PolarHBondContact O-N 2.73Å; C93-L96 VanDerWaalsContact O-N 3.13Å; C93-F97 WeakPolarHBondContact O-CD2 3.28Å; C93-F97 PolarHBondContact O-N 2.89Å
94	R	84.7	Confident	82	Confident	176 Å²	176	69.3 Å²	69.3	66%	0.664	36%	0.363	S	S	*	.	H	α-helix	trans	-59.5	-38.5	175.4	-79.5	-178.1	-180	-168.2	-0.7	112	I90 K91 F92 L96 F97 G98	I90-R94 WeakPolarHBondContact O-CG 3.4Å; I90-R94 PolarHBondContact O-N 3.27Å; K91-R94 PolarHBondContact O-N 2.87Å; F92-R94 VanDerWaalsContact C-N 3.32Å; F92-R94 PolarHBondContact O-N 3.25Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.23Å; R94-F97 PolarHBondContact O-N 3.09Å; R94-G98 PolarHBondContact O-N 3.05Å
95	Q	82.4	Confident	82.8	Confident	67 Å²	67	65.7 Å²	65.7	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-67.5	-31.2	177	-59	-59.9	-15.3	0	0	112.4	K91 F92 C93 E151	K91-Q95 PolarHBondContact O-N 2.83Å; F92-Q95 PolarHBondContact O-N 3.42Å; F92-Q95 VanDerWaalsContact O-N 3.16Å; C93-Q95 VanDerWaalsContact C-N 3.26Å; C93-Q95 PolarHBondContact O-N 2.99Å; Q95-E151 PolarHBondContact NE2-OE2 2.86Å
96	L	87	Confident	83.5	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	32%	0.319	C	S	.	.	H	α-helix	trans	-74.6	-21.6	178.9	-68.9	175.4	0	0	0	114.7	F92 C93 R94 S101 W105 V140	F92-L96 HydrophobicContact CD1-CD1 4.08Å; F92-L96 HydrophobicContact CE1-CD1 3.55Å; F92-L96 HydrophobicContact CE1-CG 4.34Å; F92-L96 HydrophobicContact CZ-CD1 3.9Å; F92-L96 HydrophobicContact CZ-CD2 4.41Å; F92-L96 HydrophobicContact CZ-CG 4.32Å; F92-L96 PolarHBondContact O-N 2.94Å; C93-L96 PolarHBondContact O-N 2.73Å; C93-L96 VanDerWaalsContact O-N 3.13Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.23Å; L96-S101 WeakPolarHBondContact O-CB 3.34Å; L96-W105 PolarHBondContact O-NE1 3.15Å; L96-W105 VanDerWaalsContact O-NE1 3.12Å; L96-V140 HydrophobicContact CD2-CG1 4.26Å; L96-V140 WeakPolarHBondContact CD2-O 3.42Å
97	F	85.4	Confident	83.9	Confident	118 Å²	118	61 Å²	61	52%	0.518	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	14.3	-176	-62.3	-68.6	0	0	0	113.1	C93 R94 M102 W105	C93-F97 WeakPolarHBondContact O-CD2 3.28Å; C93-F97 PolarHBondContact O-N 2.89Å; R94-F97 PolarHBondContact O-N 3.09Å; F97-M102 HydrophobicContact CB-SD 4.13Å; F97-M102 HydrophobicContact CD1-SD 3.87Å; F97-M102 HydrophobicContact CG-SD 4.49Å; F97-M102 VanDerWaalsContact O-CG 3.24Å; F97-M102 WeakPolarHBondContact O-CG 3.26Å; F97-W105 AromaticContact CD1-CD1 3.95Å; F97-W105 AromaticContact CD1-NE1 3.96Å; F97-W105 AromaticContact CE1-CD1 4Å; F97-W105 AromaticContact CE1-NE1 3.77Å
98	G	74.4	Confident	84	Confident	34 Å²	34	58 Å²	58	35%	0.351	28%	0.281	S	S	.	.	S	Bend	trans	-88.6	137.2	176.1	0	0	0	0	0	112.7	R94 F100 S101	R94-G98 PolarHBondContact O-N 3.05Å; G98-F100 PolarHBondContact O-N 3.28Å; G98-S101 WeakPolarHBondContact O-CB 3.31Å; G98-S101 PolarHBondContact O-N 3.01Å; G98-S101 PolarHBondContact O-OG 3.15Å
99	G	75.2	Confident	84.2	Confident	32 Å²	32	59.4 Å²	59.4	33%	0.33	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-125.8	164.6	0	0	0	0	0	115.1	S101 M102	G99-S101 PolarHBondContact O-N 2.88Å; G99-M102 WeakPolarHBondContact O-CB 3.01Å; G99-M102 PolarHBondContact O-N 3.44Å; G99-M102 VanDerWaalsContact O-N 3.15Å
100	F	71.9	Confident	84.1	Confident	10 Å²	10	52.3 Å²	52.3	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-30	-179.6	-68.6	-64.1	0	0	0	114	G98 M102 L103 L104 F291 I292 I295 V332 P333	G98-F100 PolarHBondContact O-N 3.28Å; F100-M102 PolarHBondContact O-N 2.84Å; F100-M102 VanDerWaalsContact O-N 3.14Å; F100-L103 PolarHBondContact O-N 3.02Å; F100-L104 PolarHBondContact O-N 2.9Å; F100-F291 HydrophobicContact CE2-CD1 4.13Å; F100-F291 AromaticContact CE2-CE1 3.49Å; F100-F291 HydrophobicContact CE2-CE1 3.49Å; F100-F291 VanDerWaalsContact CE2-CE1 3.49Å; F100-F291 HydrophobicContact CE2-CZ 4.17Å; F100-F291 HydrophobicContact CZ-CD1 4.12Å; F100-F291 AromaticContact CZ-CE1 3.44Å; F100-F291 HydrophobicContact CZ-CE1 3.44Å; F100-F291 VanDerWaalsContact CZ-CE1 3.44Å; F100-F291 AromaticContact CZ-CZ 3.71Å; F100-F291 HydrophobicContact CZ-CZ 3.71Å; F100-I292 HydrophobicContact CD2-CD1 4.3Å; F100-I292 HydrophobicContact CD2-CG1 3.82Å; F100-I292 HydrophobicContact CE1-CG1 4.21Å; F100-I292 HydrophobicContact CE2-CD1 4.25Å; F100-I292 HydrophobicContact CE2-CG1 3.41Å; F100-I292 VanDerWaalsContact CE2-CG1 3.41Å; F100-I292 HydrophobicContact CG-CG1 4.37Å; F100-I292 HydrophobicContact CZ-CB 4.32Å; F100-I292 HydrophobicContact CZ-CG1 3.63Å; F100-I295 HydrophobicContact CE1-CB 4.21Å; F100-I295 HydrophobicContact CE1-CG2 4.02Å; F100-I295 HydrophobicContact CZ-CB 4.47Å; F100-V332 HydrophobicContact CB-CG1 4.41Å; F100-V332 HydrophobicContact CD1-CG1 3.95Å; F100-V332 HydrophobicContact CG-CG1 4.46Å; F100-P333 HydrophobicContact CZ-CG 4.43Å
101	S	82.9	Confident	83.9	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-31.7	178.4	-58.1	0	0	0	0	111.8	L96 G98 G99 L104 W105	L96-S101 WeakPolarHBondContact O-CB 3.34Å; G98-S101 WeakPolarHBondContact O-CB 3.31Å; G98-S101 PolarHBondContact O-N 3.01Å; G98-S101 PolarHBondContact O-OG 3.15Å; G99-S101 PolarHBondContact O-N 2.88Å; S101-L104 PolarHBondContact O-N 3.19Å; S101-W105 WeakPolarHBondContact O-CB 3.36Å; S101-W105 PolarHBondContact O-N 2.98Å
102	M	84.4	Confident	84.3	Confident	84 Å²	84	50.2 Å²	50.2	41%	0.414	25%	0.254	S	S	.	.	H	α-helix	trans	-68.3	-41.1	174.5	-76.4	-65.8	-63.3	0	0	112.9	F97 G99 F100 L104 W105 I106	F97-M102 HydrophobicContact CB-SD 4.13Å; F97-M102 HydrophobicContact CD1-SD 3.87Å; F97-M102 HydrophobicContact CG-SD 4.49Å; F97-M102 VanDerWaalsContact O-CG 3.24Å; F97-M102 WeakPolarHBondContact O-CG 3.26Å; G99-M102 WeakPolarHBondContact O-CB 3.01Å; G99-M102 PolarHBondContact O-N 3.44Å; G99-M102 VanDerWaalsContact O-N 3.15Å; F100-M102 PolarHBondContact O-N 2.84Å; F100-M102 VanDerWaalsContact O-N 3.14Å; M102-L104 VanDerWaalsContact C-N 3.34Å; M102-W105 PolarHBondContact O-N 3.12Å; M102-I106 VanDerWaalsContact O-CG1 3.29Å; M102-I106 WeakPolarHBondContact O-CG1 3.29Å; M102-I106 PolarHBondContact O-N 2.83Å
103	L	79.4	Confident	84.3	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-42.7	174.7	-94.5	84.9	0	0	0	110.9	F100 I106 G107 T296 V332	F100-L103 PolarHBondContact O-N 3.02Å; L103-I106 PolarHBondContact O-N 2.89Å; L103-G107 PolarHBondContact O-N 3.12Å; L103-T296 HydrophobicContact CD1-CG2 3.81Å; L103-T296 HydrophobicContact CD2-CG2 4.19Å; L103-V332 HydrophobicContact CB-CG2 4.18Å; L103-V332 HydrophobicContact CD2-CG2 3.66Å
104	L	84.5	Confident	84	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-37.5	178	-65	179	0	0	0	112.1	F100 S101 M102 G107 A108 L136 V139 V140 V332 E334	F100-L104 PolarHBondContact O-N 2.9Å; S101-L104 PolarHBondContact O-N 3.19Å; M102-L104 VanDerWaalsContact C-N 3.34Å; L104-G107 PolarHBondContact O-N 3.14Å; L104-A108 VanDerWaalsContact O-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.32Å; L104-L136 HydrophobicContact CD2-CD2 4.22Å; L104-V139 HydrophobicContact CD1-CG1 4.3Å; L104-V140 HydrophobicContact CB-CG2 3.43Å; L104-V140 VanDerWaalsContact CB-CG2 3.43Å; L104-V140 HydrophobicContact CD1-CG2 3.91Å; L104-V140 HydrophobicContact CG-CG2 4.33Å; L104-V332 HydrophobicContact CD2-CB 4.34Å; L104-V332 HydrophobicContact CD2-CG1 3.77Å; L104-V332 HydrophobicContact CG-CG1 4.15Å; L104-E334 HydrophobicContact CD1-CG 4.17Å; L104-E334 HydrophobicContact CD2-CG 3.75Å
105	W	89.3	Confident	84.1	Confident	56 Å²	56	43.1 Å²	43.1	21%	0.212	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-44.2	171.2	-83.8	124.5	0	0	0	112.1	L96 F97 S101 M102 A108 I109 V140	L96-W105 PolarHBondContact O-NE1 3.15Å; L96-W105 VanDerWaalsContact O-NE1 3.12Å; F97-W105 AromaticContact CD1-CD1 3.95Å; F97-W105 AromaticContact CD1-NE1 3.96Å; F97-W105 AromaticContact CE1-CD1 4Å; F97-W105 AromaticContact CE1-NE1 3.77Å; S101-W105 WeakPolarHBondContact O-CB 3.36Å; S101-W105 PolarHBondContact O-N 2.98Å; M102-W105 PolarHBondContact O-N 3.12Å; W105-A108 PolarHBondContact O-N 3.29Å; W105-I109 WeakPolarHBondContact O-CB 3.39Å; W105-I109 WeakPolarHBondContact O-CD1 2.99Å; W105-I109 WeakPolarHBondContact O-CG1 3.49Å; W105-I109 PolarHBondContact O-N 3.3Å; W105-V140 HydrophobicContact CD2-CG1 4.48Å; W105-V140 HydrophobicContact CZ2-CB 4.35Å; W105-V140 HydrophobicContact CZ2-CG1 3.93Å; W105-V140 VanDerWaalsContact NE1-CG1 3.32Å
106	I	85.6	Confident	84.3	Confident	89 Å²	89	43.4 Å²	43.4	46%	0.456	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-46.5	176.4	-68	165	0	0	0	109.9	M102 L103 A108 I109 L110	M102-I106 VanDerWaalsContact O-CG1 3.29Å; M102-I106 WeakPolarHBondContact O-CG1 3.29Å; M102-I106 PolarHBondContact O-N 2.83Å; L103-I106 PolarHBondContact O-N 2.89Å; I106-A108 PolarHBondContact O-N 2.96Å; I106-I109 PolarHBondContact O-N 2.78Å; I106-L110 HydrophobicContact CG2-CD1 3.93Å; I106-L110 HydrophobicContact CG2-CG 4.41Å; I106-L110 WeakPolarHBondContact O-CB 3.3Å; I106-L110 VanDerWaalsContact O-CG 3.27Å; I106-L110 WeakPolarHBondContact O-CG 3.12Å; I106-L110 PolarHBondContact O-N 3.48Å
107	G	83.7	Confident	84.2	Confident	4 Å²	4	46.2 Å²	46.2	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-48.8	175.2	0	0	0	0	0	112.4	L103 L104 I109 L110 C111	L103-G107 PolarHBondContact O-N 3.12Å; L104-G107 PolarHBondContact O-N 3.14Å; G107-I109 PolarHBondContact O-N 2.74Å; G107-L110 PolarHBondContact O-N 2.87Å; G107-C111 PolarHBondContact O-N 2.84Å; G107-C111 PolarHBondContact O-SG 2.77Å
108	A	89.6	Confident	84	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-44.3	178.3	0	0	0	0	0	112.6	L104 W105 I106 L110 C111 F112 L136	L104-A108 VanDerWaalsContact O-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.32Å; W105-A108 PolarHBondContact O-N 3.29Å; I106-A108 PolarHBondContact O-N 2.96Å; A108-L110 VanDerWaalsContact C-N 3.34Å; A108-L110 PolarHBondContact O-N 3.17Å; A108-C111 WeakPolarHBondContact O-CB 3.07Å; A108-C111 PolarHBondContact O-N 2.79Å; A108-F112 WeakPolarHBondContact O-CD2 3.18Å; A108-F112 PolarHBondContact O-N 2.85Å; A108-L136 HydrophobicContact CB-CB 3.96Å
109	I	90.5	Very high	84.5	Confident	107 Å²	107	41.9 Å²	41.9	55%	0.549	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-42	176.7	-69.1	165.2	0	0	0	110.7	W105 I106 G107 F112 L113	W105-I109 WeakPolarHBondContact O-CB 3.39Å; W105-I109 WeakPolarHBondContact O-CD1 2.99Å; W105-I109 WeakPolarHBondContact O-CG1 3.49Å; W105-I109 PolarHBondContact O-N 3.3Å; I106-I109 PolarHBondContact O-N 2.78Å; G107-I109 PolarHBondContact O-N 2.74Å; I109-F112 PolarHBondContact O-N 3.06Å; I109-L113 WeakPolarHBondContact O-CB 3.45Å; I109-L113 PolarHBondContact O-N 3.05Å
110	L	85.5	Confident	85.1	Confident	41 Å²	41	44.4 Å²	44.4	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-37.7	176.2	-72	173.7	0	0	0	112	I106 G107 A108 L113 A114 I325	I106-L110 HydrophobicContact CG2-CD1 3.93Å; I106-L110 HydrophobicContact CG2-CG 4.41Å; I106-L110 WeakPolarHBondContact O-CB 3.3Å; I106-L110 VanDerWaalsContact O-CG 3.27Å; I106-L110 WeakPolarHBondContact O-CG 3.12Å; I106-L110 PolarHBondContact O-N 3.48Å; G107-L110 PolarHBondContact O-N 2.87Å; A108-L110 VanDerWaalsContact C-N 3.34Å; A108-L110 PolarHBondContact O-N 3.17Å; L110-L113 HydrophobicContact CD2-CD2 4.49Å; L110-L113 PolarHBondContact O-N 3.27Å; L110-A114 WeakPolarHBondContact O-CB 3.42Å; L110-A114 PolarHBondContact O-N 2.96Å; L110-I325 HydrophobicContact CB-CD1 3.74Å; L110-I325 HydrophobicContact CB-CG1 3.74Å; L110-I325 HydrophobicContact CD1-CG1 4.33Å
111	C	86.1	Confident	85.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-46	172.6	-68	0	0	0	0	112	G107 A108 L113 A114 Y115 N129 I325	G107-C111 PolarHBondContact O-N 2.84Å; G107-C111 PolarHBondContact O-SG 2.77Å; A108-C111 WeakPolarHBondContact O-CB 3.07Å; A108-C111 PolarHBondContact O-N 2.79Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 3.02Å; C111-A114 PolarHBondContact O-N 3.48Å; C111-Y115 WeakPolarHBondContact O-CB 3.25Å; C111-Y115 PolarHBondContact O-N 3.28Å; C111-N129 WeakPolarHBondContact CB-O 3.36Å; C111-I325 VanDerWaalsContact SG-CG2 3.52Å
112	F	90.4	Very high	85.2	Confident	67 Å²	67	52.8 Å²	52.8	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-36.7	176.6	-67	-50.6	0	0	0	112.4	A108 I109 S116 L130 V134	A108-F112 WeakPolarHBondContact O-CD2 3.18Å; A108-F112 PolarHBondContact O-N 2.85Å; I109-F112 PolarHBondContact O-N 3.06Å; F112-S116 WeakPolarHBondContact O-CB 3.33Å; F112-S116 PolarHBondContact O-N 3.33Å; F112-S116 PolarHBondContact O-OG 3.41Å; F112-L130 HydrophobicContact CD1-CD1 4.18Å; F112-L130 HydrophobicContact CE1-CD1 4.07Å; F112-V134 HydrophobicContact CE1-CG2 3.97Å; F112-V134 HydrophobicContact CZ-CG2 4.11Å
113	L	87.3	Confident	84.3	Confident	91 Å²	91	58.4 Å²	58.4	48%	0.476	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-47.5	175	-178.3	63.7	0	0	0	111.3	I109 L110 C111 Y115 S116 I117	I109-L113 WeakPolarHBondContact O-CB 3.45Å; I109-L113 PolarHBondContact O-N 3.05Å; L110-L113 HydrophobicContact CD2-CD2 4.49Å; L110-L113 PolarHBondContact O-N 3.27Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 3.02Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-Y115 PolarHBondContact O-N 3.32Å; L113-S116 PolarHBondContact O-N 3.11Å; L113-I117 HydrophobicContact CD1-CD1 4.38Å; L113-I117 HydrophobicContact CG-CD1 4.2Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.14Å
114	A	82.8	Confident	83.8	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-45.1	177.5	0	0	0	0	0	111.5	L110 C111 S116 I117 Q118 I322 I325	L110-A114 WeakPolarHBondContact O-CB 3.42Å; L110-A114 PolarHBondContact O-N 2.96Å; C111-A114 PolarHBondContact O-N 3.48Å; A114-S116 PolarHBondContact O-N 3.16Å; A114-I117 PolarHBondContact O-N 3.36Å; A114-Q118 WeakPolarHBondContact O-CG 3.4Å; A114-Q118 PolarHBondContact O-N 2.99Å; A114-I322 HydrophobicContact CB-CG1 4.44Å; A114-I325 HydrophobicContact CB-CD1 4.26Å
115	Y	86.8	Confident	83.2	Confident	48 Å²	48	64.9 Å²	64.9	19%	0.188	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-42.8	174.6	-180	-104.7	0	0	0	112.4	C111 L113 I117 Q118 A119 P125 L130	C111-Y115 WeakPolarHBondContact O-CB 3.25Å; C111-Y115 PolarHBondContact O-N 3.28Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-Y115 PolarHBondContact O-N 3.32Å; Y115-I117 VanDerWaalsContact C-N 3.29Å; Y115-I117 PolarHBondContact O-N 3.06Å; Y115-Q118 PolarHBondContact O-N 3.34Å; Y115-A119 VanDerWaalsContact O-CB 3.3Å; Y115-A119 WeakPolarHBondContact O-CB 3.38Å; Y115-A119 PolarHBondContact O-N 3.44Å; Y115-P125 HydrophobicContact CE2-CB 4.29Å; Y115-L130 HydrophobicContact CD1-CB 4.05Å; Y115-L130 HydrophobicContact CD1-CD1 4.11Å; Y115-L130 HydrophobicContact CD2-CB 3.8Å; Y115-L130 HydrophobicContact CE1-CB 4.13Å; Y115-L130 HydrophobicContact CE1-CD1 4.14Å; Y115-L130 HydrophobicContact CE1-CD2 4.11Å; Y115-L130 HydrophobicContact CE1-CG 4.35Å; Y115-L130 HydrophobicContact CE2-CB 3.88Å; Y115-L130 HydrophobicContact CG-CB 3.88Å
116	S	86.7	Confident	82.4	Confident	73 Å²	73	66.1 Å²	66.1	51%	0.51	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-36.5	179.4	-59.3	0	0	0	0	112.2	F112 L113 A114 A120	F112-S116 WeakPolarHBondContact O-CB 3.33Å; F112-S116 PolarHBondContact O-N 3.33Å; F112-S116 PolarHBondContact O-OG 3.41Å; L113-S116 PolarHBondContact O-N 3.11Å; A114-S116 PolarHBondContact O-N 3.16Å; S116-A120 WeakPolarHBondContact O-CB 3.41Å; S116-A120 PolarHBondContact O-N 2.8Å
117	I	85.4	Confident	82.2	Confident	74 Å²	74	65.4 Å²	65.4	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-50.6	174.7	-65.9	167.7	0	0	0	109.7	L113 A114 Y115 A119 A120 T121 L318	L113-I117 HydrophobicContact CD1-CD1 4.38Å; L113-I117 HydrophobicContact CG-CD1 4.2Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.14Å; A114-I117 PolarHBondContact O-N 3.36Å; Y115-I117 VanDerWaalsContact C-N 3.29Å; Y115-I117 PolarHBondContact O-N 3.06Å; I117-A119 VanDerWaalsContact C-N 3.35Å; I117-A119 PolarHBondContact O-N 3.08Å; I117-A120 WeakPolarHBondContact O-CB 3.42Å; I117-A120 PolarHBondContact O-N 3.16Å; I117-T121 PolarHBondContact O-N 2.74Å; I117-T121 PolarHBondContact O-OG1 3.48Å; I117-L318 HydrophobicContact CB-CD1 4.25Å; I117-L318 HydrophobicContact CG2-CD1 3.97Å
118	Q	81.8	Confident	81.9	Confident	14 Å²	14	67.9 Å²	67.9	7%	0.065	37%	0.367	C	S	.	.	H	α-helix	trans	-56.7	-46.2	178.3	-77	175.7	-33.5	0	0	112.4	A114 Y115 A120 T121 E122 P125 N129 L318	A114-Q118 WeakPolarHBondContact O-CG 3.4Å; A114-Q118 PolarHBondContact O-N 2.99Å; Y115-Q118 PolarHBondContact O-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.48Å; Q118-T121 PolarHBondContact O-N 2.95Å; Q118-T121 PolarHBondContact O-OG1 3.2Å; Q118-E122 WeakPolarHBondContact O-CB 3.21Å; Q118-E122 PolarHBondContact O-N 3.27Å; Q118-P125 HydrophobicContact CB-CB 4.39Å; Q118-N129 PolarHBondContact OE1-ND2 3.39Å; Q118-L318 HydrophobicContact CG-CD1 4.42Å; Q118-L318 HydrophobicContact CG-CD2 3.85Å
119	A	85.7	Confident	81.4	Confident	47 Å²	47	68.8 Å²	68.8	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-21.2	178	0	0	0	0	0	113.6	Y115 I117 P125	Y115-A119 VanDerWaalsContact O-CB 3.3Å; Y115-A119 WeakPolarHBondContact O-CB 3.38Å; Y115-A119 PolarHBondContact O-N 3.44Å; I117-A119 VanDerWaalsContact C-N 3.35Å; I117-A119 PolarHBondContact O-N 3.08Å; A119-P125 HydrophobicContact CB-CB 4.13Å; A119-P125 HydrophobicContact CB-CG 3.98Å
120	A	86.3	Confident	81.3	Confident	85 Å²	85	66.5 Å²	66.5	70%	0.702	36%	0.36	S	S	*	.	H	α-helix	trans	-88.7	-26	174.9	0	0	0	0	0	113.1	S116 I117 Q118	S116-A120 WeakPolarHBondContact O-CB 3.41Å; S116-A120 PolarHBondContact O-N 2.8Å; I117-A120 WeakPolarHBondContact O-CB 3.42Å; I117-A120 PolarHBondContact O-N 3.16Å; Q118-A120 PolarHBondContact O-N 3.48Å
121	T	80.6	Confident	81.3	Confident	99 Å²	99	72 Å²	72	61%	0.607	38%	0.38	S	S	*	.	H	α-helix	trans	-101	-28	-175.9	46.6	0	0	0	0	114.7	I117 Q118	I117-T121 PolarHBondContact O-N 2.74Å; I117-T121 PolarHBondContact O-OG1 3.48Å; Q118-T121 PolarHBondContact O-N 2.95Å; Q118-T121 PolarHBondContact O-OG1 3.2Å
122	E	76.2	Confident	81.1	Confident	90 Å²	90	72.8 Å²	72.8	42%	0.421	38%	0.384	S	S	.	.			trans	-114.9	143.5	-174.7	-63.1	175.6	-168.1	0	0	111.4	Q118	Q118-E122 WeakPolarHBondContact O-CB 3.21Å; Q118-E122 PolarHBondContact O-N 3.27Å
123	E	66.6	Low	81	Confident	203 Å²	203	69.6 Å²	69.6	95%	0.949	37%	0.37	S	S	*	.	S	Bend	trans	-69.1	-30.1	178.8	-96.4	-178.7	158.7	0	0	113.2
124	E	69.1	Low	81.2	Confident	137 Å²	137	69 Å²	69	64%	0.64	37%	0.37	S	S	*	.	S	Bend	trans	-128.9	80.9	178.1	-70.3	-168.2	166.3	0	0	111.6	R893	E124-R893 IonicContact OE2-NH1 2.92Å; E124-R893 PolarHBondContact OE2-NH1 3.18Å
125	P	70.3	Confident	81.4	Confident	36 Å²	36	71.7 Å²	71.7	23%	0.234	39%	0.386	C	S	.	.			trans	-66.9	136.8	-179	27.3	-35	0	0	0	111.8	Y115 Q118 A119	Y115-P125 HydrophobicContact CE2-CB 4.29Å; Q118-P125 HydrophobicContact CB-CB 4.39Å; A119-P125 HydrophobicContact CB-CB 4.13Å; A119-P125 HydrophobicContact CB-CG 3.98Å
126	Q	72.4	Confident	81.4	Confident	82 Å²	82	69.4 Å²	69.4	38%	0.383	38%	0.377	S	S	.	.			trans	-67.3	133.7	172.5	-64.7	-179	-4	0	0	110.5	D128	Q126-D128 PolarHBondContact O-N 3.22Å
127	N	82.2	Confident	81.6	Confident	74 Å²	74	66.7 Å²	66.7	40%	0.396	36%	0.358	S	S	.	.	S	Bend	trans	-77.5	-3.3	-179	-65.5	-44.3	0	0	0	113.4	N129 L130 Y131	N127-N129 PolarHBondContact O-N 2.81Å; N127-L130 WeakPolarHBondContact O-CB 3.46Å; N127-L130 PolarHBondContact O-N 3.25Å; N127-L130 VanDerWaalsContact O-N 3.11Å; N127-Y131 HydrophobicContact CB-CD2 3.69Å; N127-Y131 HydrophobicContact CB-CE2 3.58Å; N127-Y131 WeakPolarHBondContact O-CD2 3.39Å; N127-Y131 PolarHBondContact O-N 3.24Å
128	D	77	Confident	81.9	Confident	56 Å²	56	65 Å²	65	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-45.9	-171.6	-64.3	8.7	0	0	0	111.7	Q126 L130 Y131 L132 R979	Q126-D128 PolarHBondContact O-N 3.22Å; D128-L130 VanDerWaalsContact C-N 3.35Å; D128-L130 PolarHBondContact O-N 3.42Å; D128-Y131 PolarHBondContact O-N 3.08Å; D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.42Å; D128-L132 PolarHBondContact O-N 3.05Å; D128-R979 IonicContact OD1-CZ 2.98Å; D128-R979 IonicContact OD1-NH1 3.75Å; D128-R979 IonicContact OD1-NH2 2.71Å; D128-R979 PolarHBondContact OD1-NH2 3.16Å; D128-R979 IonicContact OD2-CZ 2.75Å; D128-R979 IonicContact OD2-NH1 2.73Å; D128-R979 PolarHBondContact OD2-NH1 3.04Å; D128-R979 IonicContact OD2-NH2 3.92Å; D128-R979 PolarHBondContact OD2-NH2 2.96Å
129	N	80.2	Confident	82.1	Confident	18 Å²	18	65 Å²	65	10%	0.096	36%	0.356	C	S	.	.	H	α-helix	trans	-66.6	-34.5	177.4	-73.8	-33.8	0	0	0	112.6	C111 Q118 N127 G133	C111-N129 WeakPolarHBondContact CB-O 3.36Å; Q118-N129 PolarHBondContact OE1-ND2 3.39Å; N127-N129 PolarHBondContact O-N 2.81Å; N129-G133 PolarHBondContact O-N 3.11Å
130	L	87.9	Confident	82.2	Confident	59 Å²	59	62.8 Å²	62.8	31%	0.309	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-49.5	175.2	178.9	69.5	0	0	0	110.9	F112 Y115 N127 D128 L132 G133 V134	F112-L130 HydrophobicContact CD1-CD1 4.18Å; F112-L130 HydrophobicContact CE1-CD1 4.07Å; Y115-L130 HydrophobicContact CD1-CB 4.05Å; Y115-L130 HydrophobicContact CD1-CD1 4.11Å; Y115-L130 HydrophobicContact CD2-CB 3.8Å; Y115-L130 HydrophobicContact CE1-CB 4.13Å; Y115-L130 HydrophobicContact CE1-CD1 4.14Å; Y115-L130 HydrophobicContact CE1-CD2 4.11Å; Y115-L130 HydrophobicContact CE1-CG 4.35Å; Y115-L130 HydrophobicContact CE2-CB 3.88Å; Y115-L130 HydrophobicContact CG-CB 3.88Å; N127-L130 WeakPolarHBondContact O-CB 3.46Å; N127-L130 PolarHBondContact O-N 3.25Å; N127-L130 VanDerWaalsContact O-N 3.11Å; D128-L130 VanDerWaalsContact C-N 3.35Å; D128-L130 PolarHBondContact O-N 3.42Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.11Å; L130-G133 PolarHBondContact O-N 3.41Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.08Å
131	Y	85.3	Confident	82.4	Confident	157 Å²	157	62.5 Å²	62.5	62%	0.616	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-45.6	177.4	-80.5	-68.4	0	0	0	111.2	N127 D128 G133 V134 V135	N127-Y131 HydrophobicContact CB-CD2 3.69Å; N127-Y131 HydrophobicContact CB-CE2 3.58Å; N127-Y131 WeakPolarHBondContact O-CD2 3.39Å; N127-Y131 PolarHBondContact O-N 3.24Å; D128-Y131 PolarHBondContact O-N 3.08Å; Y131-G133 PolarHBondContact O-N 3.07Å; Y131-V134 PolarHBondContact O-N 3.24Å; Y131-V135 WeakPolarHBondContact O-CB 3.43Å; Y131-V135 VanDerWaalsContact O-CG2 3.27Å; Y131-V135 WeakPolarHBondContact O-CG2 3.4Å; Y131-V135 PolarHBondContact O-N 2.94Å
132	L	82.2	Confident	82.8	Confident	17 Å²	17	63.2 Å²	63.2	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-46.9	178.5	-176.3	61.9	0	0	0	111.8	D128 L130 V134 V135 L136 T804 L808	D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.42Å; D128-L132 PolarHBondContact O-N 3.05Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.11Å; L132-V134 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 3.14Å; L132-V135 PolarHBondContact O-N 3.36Å; L132-L136 HydrophobicContact CD1-CD1 4.33Å; L132-L136 HydrophobicContact CD1-CG 4.18Å; L132-L136 HydrophobicContact CG-CD1 4.16Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.33Å; L132-L136 PolarHBondContact O-N 2.95Å; L132-T804 HydrophobicContact CD1-CG2 3.58Å; L132-T804 HydrophobicContact CD2-CG2 3.72Å; L132-T804 HydrophobicContact CG-CG2 4.31Å; L132-L808 HydrophobicContact CD1-CD1 3.87Å
133	G	88.1	Confident	83	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-40.8	176.9	0	0	0	0	0	113.2	N129 L130 Y131 S137	N129-G133 PolarHBondContact O-N 3.11Å; L130-G133 PolarHBondContact O-N 3.41Å; Y131-G133 PolarHBondContact O-N 3.07Å; G133-S137 WeakPolarHBondContact O-CB 3.41Å; G133-S137 PolarHBondContact O-N 3.14Å; G133-S137 VanDerWaalsContact O-N 3.08Å; G133-S137 PolarHBondContact O-OG 2.95Å
134	V	91.5	Very high	83.8	Confident	79 Å²	79	50.1 Å²	50.1	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-44.6	175.4	173.2	0	0	0	0	111.4	F112 L130 Y131 L132 S137 A138	F112-V134 HydrophobicContact CE1-CG2 3.97Å; F112-V134 HydrophobicContact CZ-CG2 4.11Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.08Å; Y131-V134 PolarHBondContact O-N 3.24Å; L132-V134 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 3.14Å; V134-S137 PolarHBondContact O-N 2.84Å; V134-A138 WeakPolarHBondContact O-CB 3.49Å; V134-A138 PolarHBondContact O-N 3.08Å
135	V	87.6	Confident	84.7	Confident	58 Å²	58	46.3 Å²	46.3	35%	0.352	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-48.8	179.7	172.4	0	0	0	0	110.8	Y131 L132 S137 A138 V139 L808	Y131-V135 WeakPolarHBondContact O-CB 3.43Å; Y131-V135 VanDerWaalsContact O-CG2 3.27Å; Y131-V135 WeakPolarHBondContact O-CG2 3.4Å; Y131-V135 PolarHBondContact O-N 2.94Å; L132-V135 PolarHBondContact O-N 3.36Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 2.85Å; V135-A138 WeakPolarHBondContact O-CB 3.17Å; V135-A138 PolarHBondContact O-N 2.83Å; V135-A138 VanDerWaalsContact O-N 3.08Å; V135-V139 HydrophobicContact CG1-CG2 4.32Å; V135-V139 VanDerWaalsContact O-CG2 3.29Å; V135-V139 WeakPolarHBondContact O-CG2 3.34Å; V135-V139 PolarHBondContact O-N 2.97Å; V135-L808 HydrophobicContact CG1-CD1 3.77Å
136	L	85.9	Confident	85.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-43	176.9	-67.6	178.3	0	0	0	111.7	L104 A108 L132 A138 V139 V140 V329 L808	L104-L136 HydrophobicContact CD2-CD2 4.22Å; A108-L136 HydrophobicContact CB-CB 3.96Å; L132-L136 HydrophobicContact CD1-CD1 4.33Å; L132-L136 HydrophobicContact CD1-CG 4.18Å; L132-L136 HydrophobicContact CG-CD1 4.16Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.33Å; L132-L136 PolarHBondContact O-N 2.95Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.9Å; L136-V139 PolarHBondContact O-N 2.96Å; L136-V140 WeakPolarHBondContact O-CG2 3.17Å; L136-V140 PolarHBondContact O-N 2.81Å; L136-V140 VanDerWaalsContact O-N 3.1Å; L136-V329 HydrophobicContact CD1-CG2 3.99Å; L136-L808 HydrophobicContact CD2-CD2 4.42Å
137	S	91.6	Very high	85.2	Confident	15 Å²	15	45 Å²	45	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-42.1	175.3	-57.6	0	0	0	0	111.9	G133 V134 V135 V140 I141	G133-S137 WeakPolarHBondContact O-CB 3.41Å; G133-S137 PolarHBondContact O-N 3.14Å; G133-S137 VanDerWaalsContact O-N 3.08Å; G133-S137 PolarHBondContact O-OG 2.95Å; V134-S137 PolarHBondContact O-N 2.84Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 2.85Å; S137-V140 PolarHBondContact O-N 3.3Å; S137-I141 VanDerWaalsContact O-CG1 3.31Å; S137-I141 WeakPolarHBondContact O-CG1 3.49Å; S137-I141 PolarHBondContact O-N 2.86Å; S137-I141 VanDerWaalsContact O-N 3.11Å
138	A	90.8	Very high	85.3	Confident	40 Å²	40	44.2 Å²	44.2	33%	0.331	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-39.9	177.3	0	0	0	0	0	112	V134 V135 L136 V140 I141 I142	V134-A138 WeakPolarHBondContact O-CB 3.49Å; V134-A138 PolarHBondContact O-N 3.08Å; V135-A138 WeakPolarHBondContact O-CB 3.17Å; V135-A138 PolarHBondContact O-N 2.83Å; V135-A138 VanDerWaalsContact O-N 3.08Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.9Å; A138-V140 PolarHBondContact O-N 2.81Å; A138-I141 PolarHBondContact O-N 2.96Å; A138-I142 WeakPolarHBondContact O-CB 3.47Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.31Å; A138-I142 PolarHBondContact O-N 2.84Å
139	V	86.4	Confident	85.3	Confident	14 Å²	14	48.6 Å²	48.6	9%	0.085	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-46.9	175.3	169.9	0	0	0	0	110.7	L104 V135 L136 I141 I142 T143 E334 L812	L104-V139 HydrophobicContact CD1-CG1 4.3Å; V135-V139 HydrophobicContact CG1-CG2 4.32Å; V135-V139 VanDerWaalsContact O-CG2 3.29Å; V135-V139 WeakPolarHBondContact O-CG2 3.34Å; V135-V139 PolarHBondContact O-N 2.97Å; L136-V139 PolarHBondContact O-N 2.96Å; V139-I141 VanDerWaalsContact C-N 3.34Å; V139-I141 PolarHBondContact O-N 3.25Å; V139-I142 PolarHBondContact O-N 3.14Å; V139-T143 VanDerWaalsContact O-CB 3.29Å; V139-T143 WeakPolarHBondContact O-CB 3.47Å; V139-T143 PolarHBondContact O-N 2.92Å; V139-T143 PolarHBondContact O-OG1 2.58Å; V139-E334 HydrophobicContact CG1-CB 4.32Å; V139-L812 HydrophobicContact CG1-CD1 4.34Å; V139-L812 HydrophobicContact CG1-CD2 4.45Å; V139-L812 HydrophobicContact CG2-CD1 3.41Å; V139-L812 VanDerWaalsContact CG2-CD1 3.41Å
140	V	88.6	Confident	84.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-43.7	177.5	177.3	0	0	0	0	111.5	L96 L104 W105 L136 S137 A138 G144	L96-V140 HydrophobicContact CD2-CG1 4.26Å; L96-V140 WeakPolarHBondContact CD2-O 3.42Å; L104-V140 HydrophobicContact CB-CG2 3.43Å; L104-V140 VanDerWaalsContact CB-CG2 3.43Å; L104-V140 HydrophobicContact CD1-CG2 3.91Å; L104-V140 HydrophobicContact CG-CG2 4.33Å; W105-V140 HydrophobicContact CD2-CG1 4.48Å; W105-V140 HydrophobicContact CZ2-CB 4.35Å; W105-V140 HydrophobicContact CZ2-CG1 3.93Å; W105-V140 VanDerWaalsContact NE1-CG1 3.32Å; L136-V140 WeakPolarHBondContact O-CG2 3.17Å; L136-V140 PolarHBondContact O-N 2.81Å; L136-V140 VanDerWaalsContact O-N 3.1Å; S137-V140 PolarHBondContact O-N 3.3Å; A138-V140 PolarHBondContact O-N 2.81Å; V140-G144 PolarHBondContact O-N 2.73Å
141	I	90.6	Very high	83.8	Confident	78 Å²	78	50 Å²	50	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-46.1	179.1	-66.8	166.4	0	0	0	111.5	S137 A138 V139 G144 C145	S137-I141 VanDerWaalsContact O-CG1 3.31Å; S137-I141 WeakPolarHBondContact O-CG1 3.49Å; S137-I141 PolarHBondContact O-N 2.86Å; S137-I141 VanDerWaalsContact O-N 3.11Å; A138-I141 PolarHBondContact O-N 2.96Å; V139-I141 VanDerWaalsContact C-N 3.34Å; V139-I141 PolarHBondContact O-N 3.25Å; I141-G144 PolarHBondContact O-N 2.93Å; I141-C145 WeakPolarHBondContact O-CB 3.42Å; I141-C145 PolarHBondContact O-N 2.75Å; I141-C145 PolarHBondContact O-SG 3.33Å
142	I	87.6	Confident	83.1	Confident	115 Å²	115	43.2 Å²	43.2	59%	0.59	23%	0.228	S	C	*	.	H	α-helix	trans	-63.3	-45.9	-179.9	-69.6	166	0	0	0	110.2	A138 V139 C145 F146	A138-I142 WeakPolarHBondContact O-CB 3.47Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.31Å; A138-I142 PolarHBondContact O-N 2.84Å; V139-I142 PolarHBondContact O-N 3.14Å; I142-C145 WeakPolarHBondContact O-CB 3.33Å; I142-C145 PolarHBondContact O-N 3.5Å; I142-F146 WeakPolarHBondContact O-CB 3.4Å; I142-F146 PolarHBondContact O-N 3.46Å
143	T	80.4	Confident	82.3	Confident	17 Å²	17	47.7 Å²	47.7	10%	0.104	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-44.7	176.9	-60.6	0	0	0	0	110.9	V139 C145 F146 S147 L337	V139-T143 VanDerWaalsContact O-CB 3.29Å; V139-T143 WeakPolarHBondContact O-CB 3.47Å; V139-T143 PolarHBondContact O-N 2.92Å; V139-T143 PolarHBondContact O-OG1 2.58Å; T143-C145 PolarHBondContact O-N 3.24Å; T143-F146 PolarHBondContact O-N 2.81Å; T143-S147 PolarHBondContact O-N 2.83Å; T143-S147 PolarHBondContact O-OG 3.15Å; T143-S147 VanDerWaalsContact O-OG 3.1Å; T143-L337 HydrophobicContact CG2-CB 4.47Å; T143-L337 HydrophobicContact CG2-CD2 3.82Å; T143-L337 HydrophobicContact CG2-CG 4.25Å
144	G	84.3	Confident	80.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-42.5	174.9	0	0	0	0	0	113.4	V140 I141 Y148	V140-G144 PolarHBondContact O-N 2.73Å; I141-G144 PolarHBondContact O-N 2.93Å; G144-Y148 VanDerWaalsContact O-CB 3.22Å; G144-Y148 WeakPolarHBondContact O-CB 3.29Å; G144-Y148 PolarHBondContact O-N 3.44Å
145	C	87.3	Confident	79.5	Confident	57 Å²	57	47.6 Å²	47.6	39%	0.385	25%	0.25	S	S	.	.	H	α-helix	trans	-60.1	-43.5	173.7	-76.8	0	0	0	0	112.1	F92 I141 I142 T143 Y149	F92-C145 HydrophobicContact CE2-CB 4.45Å; I141-C145 WeakPolarHBondContact O-CB 3.42Å; I141-C145 PolarHBondContact O-N 2.75Å; I141-C145 PolarHBondContact O-SG 3.33Å; I142-C145 WeakPolarHBondContact O-CB 3.33Å; I142-C145 PolarHBondContact O-N 3.5Å; T143-C145 PolarHBondContact O-N 3.24Å; C145-Y149 VanDerWaalsContact O-CB 3.22Å; C145-Y149 WeakPolarHBondContact O-CB 3.19Å; C145-Y149 PolarHBondContact O-N 2.88Å
146	F	78.8	Confident	78.3	Confident	74 Å²	74	52.1 Å²	52.1	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-49.7	179.6	-172.7	-106.4	0	0	0	111.5	I142 T143 Y148 Y149 Q150 T341 V342	I142-F146 WeakPolarHBondContact O-CB 3.4Å; I142-F146 PolarHBondContact O-N 3.46Å; T143-F146 PolarHBondContact O-N 2.81Å; F146-Y148 PolarHBondContact O-N 2.99Å; F146-Y149 PolarHBondContact O-N 3.37Å; F146-Q150 WeakPolarHBondContact O-CG 3.49Å; F146-Q150 PolarHBondContact O-N 3.03Å; F146-T341 HydrophobicContact CD1-CG2 3.95Å; F146-T341 HydrophobicContact CE1-CG2 3.73Å; F146-V342 HydrophobicContact CE1-CG2 3.76Å; F146-V342 HydrophobicContact CZ-CG2 3.62Å
147	S	75.6	Confident	76.8	Confident	16 Å²	16	55.5 Å²	55.5	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-45.9	176.9	-59	0	0	0	0	111.7	T143 Q150 E151	T143-S147 PolarHBondContact O-N 2.83Å; T143-S147 PolarHBondContact O-OG 3.15Å; T143-S147 VanDerWaalsContact O-OG 3.1Å; S147-Q150 PolarHBondContact O-N 3.32Å; S147-E151 PolarHBondContact O-N 3.16Å
148	Y	82.8	Confident	75	Confident	58 Å²	58	56.1 Å²	56.1	23%	0.227	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-45.8	177.1	171.7	-104.5	0	0	0	112.8	E88 K91 F92 G144 F146 Q150 E151 A152	E88-Y148 WeakPolarHBondContact CB-OH 3.14Å; E88-Y148 WeakPolarHBondContact OE2-CE2 3.46Å; E88-Y148 VanDerWaalsContact OE2-CZ 3.3Å; E88-Y148 PolarHBondContact OE2-OH 2.81Å; K91-Y148 HydrophobicContact CB-CD2 4.34Å; K91-Y148 HydrophobicContact CB-CE2 4.22Å; F92-Y148 HydrophobicContact CB-CD2 3.95Å; F92-Y148 HydrophobicContact CB-CE2 4.29Å; F92-Y148 HydrophobicContact CB-CG 4.13Å; F92-Y148 AromaticContact CD2-CD1 3.95Å; F92-Y148 HydrophobicContact CD2-CD1 3.95Å; F92-Y148 HydrophobicContact CD2-CD2 4.42Å; F92-Y148 AromaticContact CD2-CG 3.76Å; F92-Y148 HydrophobicContact CD2-CG 3.76Å; F92-Y148 HydrophobicContact CG-CG 4.43Å; G144-Y148 VanDerWaalsContact O-CB 3.22Å; G144-Y148 WeakPolarHBondContact O-CB 3.29Å; G144-Y148 PolarHBondContact O-N 3.44Å; F146-Y148 PolarHBondContact O-N 2.99Å; Y148-Q150 PolarHBondContact O-N 2.92Å; Y148-E151 PolarHBondContact O-N 3.4Å; Y148-A152 HydrophobicContact CE1-CB 4.31Å; Y148-A152 HydrophobicContact CE2-CB 4.36Å; Y148-A152 VanDerWaalsContact O-CB 3.31Å; Y148-A152 WeakPolarHBondContact O-CB 3.46Å; Y148-A152 PolarHBondContact O-N 3.45Å
149	Y	78.5	Confident	73.5	Confident	147 Å²	147	60 Å²	60	58%	0.576	30%	0.295	S	S	*	.	H	α-helix	trans	-58.2	-36.9	180	174.6	-103.7	0	0	0	111.8	C145 F146 K153	C145-Y149 VanDerWaalsContact O-CB 3.22Å; C145-Y149 WeakPolarHBondContact O-CB 3.19Å; C145-Y149 PolarHBondContact O-N 2.88Å; F146-Y149 PolarHBondContact O-N 3.37Å; Y149-K153 WeakPolarHBondContact O-CB 3.45Å; Y149-K153 PolarHBondContact O-N 3.26Å
150	Q	68.4	Low	71.7	Confident	24 Å²	24	63.4 Å²	63.4	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-68.9	-45.8	177.3	-69.9	-169.8	8.1	0	0	112.8	F146 S147 Y148 A152 K153 S154 T341 T345 L361	F146-Q150 WeakPolarHBondContact O-CG 3.49Å; F146-Q150 PolarHBondContact O-N 3.03Å; S147-Q150 PolarHBondContact O-N 3.32Å; Y148-Q150 PolarHBondContact O-N 2.92Å; Q150-A152 VanDerWaalsContact C-N 3.33Å; Q150-A152 PolarHBondContact O-N 2.91Å; Q150-K153 PolarHBondContact O-N 2.92Å; Q150-S154 PolarHBondContact O-N 2.67Å; Q150-T341 VanDerWaalsContact CD-CG2 3.46Å; Q150-T345 VanDerWaalsContact CD-OG1 3.3Å; Q150-T345 PolarHBondContact NE2-OG1 2.88Å; Q150-T345 PolarHBondContact OE1-OG1 3.28Å; Q150-L361 HydrophobicContact CB-CD1 3.92Å; Q150-L361 HydrophobicContact CG-CD1 4.5Å
151	E	68.4	Low	69.6	Low	82 Å²	82	68 Å²	68	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.4	-162.4	-177	163.4	0	0	111.3	Q95 S147 Y148 S155	Q95-E151 PolarHBondContact NE2-OE2 2.86Å; S147-E151 PolarHBondContact O-N 3.16Å; Y148-E151 PolarHBondContact O-N 3.4Å; E151-S155 PolarHBondContact O-N 2.81Å; E151-S155 PolarHBondContact O-OG 3.14Å; E151-S155 VanDerWaalsContact O-OG 3.06Å
152	A	69.1	Low	67.6	Low	16 Å²	16	69.9 Å²	69.9	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-67.5	-40.7	179.1	0	0	0	0	0	112.8	Y148 Q150 S154 S155 K156	Y148-A152 HydrophobicContact CE1-CB 4.31Å; Y148-A152 HydrophobicContact CE2-CB 4.36Å; Y148-A152 VanDerWaalsContact O-CB 3.31Å; Y148-A152 WeakPolarHBondContact O-CB 3.46Å; Y148-A152 PolarHBondContact O-N 3.45Å; Q150-A152 VanDerWaalsContact C-N 3.33Å; Q150-A152 PolarHBondContact O-N 2.91Å; A152-S154 VanDerWaalsContact C-N 3.3Å; A152-S154 PolarHBondContact O-N 2.85Å; A152-S155 PolarHBondContact O-N 3.37Å; A152-K156 PolarHBondContact O-N 3.05Å
153	K	65.8	Low	65.2	Low	110 Å²	110	71 Å²	71	48%	0.478	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-41.3	179.2	-175.3	178.1	-178.9	178.6	0	111.7	Y149 Q150 K156 I157	Y149-K153 WeakPolarHBondContact O-CB 3.45Å; Y149-K153 PolarHBondContact O-N 3.26Å; Q150-K153 PolarHBondContact O-N 2.92Å; K153-K156 PolarHBondContact O-N 3.35Å; K153-I157 PolarHBondContact O-N 2.78Å
154	S	57.2	Low	63.2	Low	25 Å²	25	77.7 Å²	77.7	18%	0.175	38%	0.384	C	S	.	.	H	α-helix	trans	-66	-41.2	178.2	-166	0	0	0	0	112.2	Q150 A152 K156 I157 K359	Q150-S154 PolarHBondContact O-N 2.67Å; A152-S154 VanDerWaalsContact C-N 3.3Å; A152-S154 PolarHBondContact O-N 2.85Å; S154-K156 PolarHBondContact O-N 3.16Å; S154-I157 PolarHBondContact O-N 3.46Å; S154-K359 WeakPolarHBondContact CB-O 3.48Å; S154-K359 WeakPolarHBondContact OG-CA 3.46Å; S154-K359 PolarHBondContact OG-O 3.04Å
155	S	63.4	Low	61.1	Low	53 Å²	53	82.9 Å²	82.9	37%	0.371	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-38.7	176.1	-60.4	0	0	0	0	112.9	E151 A152 I157 M158 E159	E151-S155 PolarHBondContact O-N 2.81Å; E151-S155 PolarHBondContact O-OG 3.14Å; E151-S155 VanDerWaalsContact O-OG 3.06Å; A152-S155 PolarHBondContact O-N 3.37Å; S155-I157 PolarHBondContact O-N 2.96Å; S155-M158 WeakPolarHBondContact O-CB 3.45Å; S155-M158 PolarHBondContact O-N 3.37Å; S155-E159 PolarHBondContact O-N 3.11Å
156	K	62.5	Low	59.4	Low	152 Å²	152	85.6 Å²	85.6	66%	0.661	43%	0.433	S	S	*	.	H	α-helix	trans	-66.7	-33.5	179.7	-83.1	-174.6	175.6	179.9	0	114.4	A152 K153 S154 M158 E159 S160	A152-K156 PolarHBondContact O-N 3.05Å; K153-K156 PolarHBondContact O-N 3.35Å; S154-K156 PolarHBondContact O-N 3.16Å; K156-M158 PolarHBondContact O-N 2.99Å; K156-E159 PolarHBondContact O-N 3.42Å; K156-S160 PolarHBondContact O-N 2.8Å
157	I	55.5	Low	59	Low	71 Å²	71	85.8 Å²	85.8	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-36.6	175.7	-67.4	172	0	0	0	109.5	K153 S154 S155 S160 F161 L357	K153-I157 PolarHBondContact O-N 2.78Å; S154-I157 PolarHBondContact O-N 3.46Å; S155-I157 PolarHBondContact O-N 2.96Å; I157-S160 PolarHBondContact O-N 2.94Å; I157-S160 PolarHBondContact O-OG 3.17Å; I157-F161 HydrophobicContact CG2-CE2 4.32Å; I157-F161 WeakPolarHBondContact O-CD2 3.48Å; I157-L357 HydrophobicContact CG2-CD2 4.19Å
158	M	53.3	Low	59.5	Low	28 Å²	28	92.1 Å²	92.1	14%	0.138	46%	0.462	C	S	.	.	H	α-helix	trans	-68.7	-37.5	177.4	-173.3	57.4	62.7	0	0	113.6	S155 K156 S160 F161 K359 Q744 I749	S155-M158 WeakPolarHBondContact O-CB 3.45Å; S155-M158 PolarHBondContact O-N 3.37Å; K156-M158 PolarHBondContact O-N 2.99Å; M158-S160 PolarHBondContact O-N 2.98Å; M158-F161 WeakPolarHBondContact O-CB 3.37Å; M158-F161 PolarHBondContact O-N 3.19Å; M158-K359 HydrophobicContact CE-CD 3.22Å; M158-K359 HydrophobicContact CE-CG 4.36Å; M158-Q744 HydrophobicContact CG-CG 4.33Å; M158-Q744 HydrophobicContact SD-CG 3.87Å; M158-I749 HydrophobicContact CE-CD1 3.64Å
159	E	59.2	Low	60	Low	121 Å²	121	89.6 Å²	89.6	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-62.1	-29.8	177.7	-76	-174	157.3	0	0	112.7	S155 K156 F161 K162	S155-E159 PolarHBondContact O-N 3.11Å; K156-E159 PolarHBondContact O-N 3.42Å; E159-F161 PolarHBondContact O-N 2.93Å; E159-K162 PolarHBondContact O-N 2.99Å
160	S	48.4	Very low	60.7	Low	86 Å²	86	84.5 Å²	84.5	60%	0.601	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.5	174.9	71.5	0	0	0	0	114.2	K156 I157 M158	K156-S160 PolarHBondContact O-N 2.8Å; I157-S160 PolarHBondContact O-N 2.94Å; I157-S160 PolarHBondContact O-OG 3.17Å; M158-S160 PolarHBondContact O-N 2.98Å
161	F	45.6	Very low	62.1	Low	96 Å²	96	83.4 Å²	83.4	42%	0.421	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-14.4	173.6	-69.8	-82.9	0	0	0	113.8	I157 M158 E159 N163	I157-F161 HydrophobicContact CG2-CE2 4.32Å; I157-F161 WeakPolarHBondContact O-CD2 3.48Å; M158-F161 WeakPolarHBondContact O-CB 3.37Å; M158-F161 PolarHBondContact O-N 3.19Å; E159-F161 PolarHBondContact O-N 2.93Å; F161-N163 VanDerWaalsContact C-N 3.27Å; F161-N163 PolarHBondContact O-N 3.47Å
162	K	48.4	Very low	63.4	Low	118 Å²	118	79.8 Å²	79.8	51%	0.513	41%	0.414	S	S	.	.	S	Bend	trans	-74.9	-9.2	-175.8	-82.3	-174	173.1	-179.5	0	114.9	E159 M164	E159-K162 PolarHBondContact O-N 2.99Å; K162-M164 PolarHBondContact O-N 3.11Å
163	N	36	Very low	64.6	Low	138 Å²	138	80.2 Å²	80.2	74%	0.738	41%	0.412	S	S	*	.			trans	-99.8	81.8	-174.3	-70.8	-23.3	0	0	0	111.6	F161	F161-N163 VanDerWaalsContact C-N 3.27Å; F161-N163 PolarHBondContact O-N 3.47Å
164	M	39.5	Very low	65.9	Low	159 Å²	159	78.7 Å²	78.7	78%	0.783	41%	0.409	S	S	*	.			trans	-145.3	134.5	162.6	-88.9	-165.5	-73.9	0	0	115.7	K162	K162-M164 PolarHBondContact O-N 3.11Å
165	V	40.7	Very low	67.5	Low	109 Å²	109	79.4 Å²	79.4	66%	0.661	42%	0.421	S	S	*	.			trans	37.2	106	165.8	-163.2	0	0	0	0	118	Q167	V165-Q167 PolarHBondContact O-N 3.37Å
166	P	50.4	Low	68.9	Low	115 Å²	115	83.9 Å²	83.9	75%	0.747	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59	126.7	166.9	24.4	-31.6	0	0	0	110
167	Q	70.6	Confident	70.4	Confident	78 Å²	78	82 Å²	82	36%	0.364	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-89	133.4	-177	-61.6	-168.6	-19.6	0	0	109.9	V165 N181 A182 R198	V165-Q167 PolarHBondContact O-N 3.37Å; Q167-N181 PolarHBondContact O-OD1 3.45Å; Q167-A182 HydrophobicContact CB-CB 4.28Å; Q167-A182 VanDerWaalsContact O-CB 3.29Å; Q167-A182 WeakPolarHBondContact O-CB 3.34Å; Q167-A182 PolarHBondContact O-N 3.38Å; Q167-R198 VanDerWaalsContact NE2-NH1 3.17Å
168	Q	87	Confident	72.2	Confident	148 Å²	148	82.1 Å²	82.1	69%	0.692	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	151	171.6	-65.6	-166.5	-13.5	0	0	110.4	S179 I180	Q168-S179 PolarHBondContact OE1-OG 3.22Å; Q168-I180 CarbonylContact C-O 3.55Å; Q168-I180 VanDerWaalsContact CA-O 3.26Å; Q168-I180 WeakPolarHBondContact CA-O 3.42Å
169	A	91.6	Very high	74	Confident	5 Å²	5	84 Å²	84	4%	0.041	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.6	175.8	0	0	0	0	0	110.3	V171 S179 I180 V185 P200	A169-V171 HydrophobicContact CB-CG2 4.17Å; A169-S179 WeakPolarHBondContact O-CA 3.26Å; A169-I180 PolarHBondContact N-O 3.4Å; A169-I180 PolarHBondContact O-N 3.11Å; A169-V185 HydrophobicContact CB-CG2 3.66Å; A169-P200 HydrophobicContact CB-CB 3.69Å; A169-P200 HydrophobicContact CB-CG 3.95Å
170	L	94.8	Very high	75.7	Confident	41 Å²	41	79.2 Å²	79.2	22%	0.215	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113	174.3	-177.1	67.8	0	0	0	109.9	K177 E192	L170-K177 HydrophobicContact CD1-CB 4.25Å; L170-E192 HydrophobicContact CD2-CB 4.16Å; L170-E192 HydrophobicContact CD2-CG 4.4Å; L170-E192 HydrophobicContact CG-CB 4.46Å; L170-E192 PolarHBondContact O-N 2.99Å
171	V	96	Very high	77.8	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.5	-171.6	-153.9	0	0	0	0	109.8	A169 R173 K177 M178 I180 V185 D189 L190 V191	A169-V171 HydrophobicContact CB-CG2 4.17Å; V171-R173 HydrophobicContact CG1-CG 4.39Å; V171-K177 WeakPolarHBondContact O-CA 3.13Å; V171-M178 PolarHBondContact N-O 3.39Å; V171-M178 PolarHBondContact O-N 3.17Å; V171-I180 HydrophobicContact CB-CD1 4.34Å; V171-I180 HydrophobicContact CG2-CD1 3.58Å; V171-I180 HydrophobicContact CG2-CG1 3.61Å; V171-V185 HydrophobicContact CG2-CG2 4.22Å; V171-D189 HydrophobicContact CG1-CB 3.74Å; V171-L190 VanDerWaalsContact CG1-O 3.28Å; V171-L190 WeakPolarHBondContact CG1-O 3.47Å; V171-V191 HydrophobicContact CG1-CG2 4.11Å
172	I	95.6	Very high	79.9	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.3	175.3	-56.1	176.8	0	0	0	107.8	G62 E176 K177 L190	G62-I172 WeakPolarHBondContact CA-O 3.43Å; I172-E176 WeakPolarHBondContact CA-O 3.45Å; I172-K177 HydrophobicContact CD1-CG 4.39Å; I172-K177 HydrophobicContact CG1-CG 3.97Å; I172-L190 HydrophobicContact CB-CB 4.24Å; I172-L190 HydrophobicContact CB-CD2 4Å; I172-L190 HydrophobicContact CB-CG 4.12Å; I172-L190 HydrophobicContact CD1-CD2 3.91Å; I172-L190 HydrophobicContact CD1-CG 4.16Å; I172-L190 HydrophobicContact CG1-CD2 4.47Å; I172-L190 HydrophobicContact CG1-CG 4.48Å; I172-L190 HydrophobicContact CG2-CD2 4.22Å; I172-L190 PolarHBondContact N-O 3.17Å
173	R	95.2	Very high	82	Confident	25 Å²	25	72.6 Å²	72.6	9%	0.094	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.6	175.5	-67.4	178.9	177.8	165	0.4	109.1	L63 A68 V171 G175 E176 M178 D184 D189	L63-R173 CarbonylContact O-C 3.49Å; L63-R173 WeakPolarHBondContact O-CA 3.27Å; L63-R173 WeakPolarHBondContact O-CB 3.45Å; A68-R173 VanDerWaalsContact CB-CZ 3.5Å; V171-R173 HydrophobicContact CG1-CG 4.39Å; R173-G175 PolarHBondContact O-N 3.03Å; R173-E176 PolarHBondContact N-O 2.93Å; R173-E176 PolarHBondContact O-N 3.33Å; R173-M178 HydrophobicContact CB-SD 4.1Å; R173-M178 HydrophobicContact CG-SD 4.5Å; R173-D184 PolarHBondContact NH2-O 3.16Å; R173-D189 IonicContact CZ-OD1 2.67Å; R173-D189 IonicContact CZ-OD2 3.94Å; R173-D189 IonicContact NE-OD1 3.49Å; R173-D189 PolarHBondContact NE-OD1 2.7Å; R173-D189 IonicContact NE-OD2 2.69Å; R173-D189 PolarHBondContact NE-OD2 2.93Å; R173-D189 IonicContact NH2-OD1 3.39Å; R173-D189 IonicContact NH2-OD2 2.98Å; R173-D189 PolarHBondContact NH2-OD2 3.07Å
174	N	93.3	Very high	84.7	Confident	78 Å²	78	69.1 Å²	69.1	42%	0.417	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	17.1	-172.3	-57.1	-52.8	0	0	0	115.5	R61 L63 T64 S65	R61-N174 PolarHBondContact O-N 2.81Å; L63-N174 PolarHBondContact O-N 2.89Å; T64-N174 VanDerWaalsContact CA-OD1 3.25Å; T64-N174 WeakPolarHBondContact CA-OD1 3.46Å; T64-N174 WeakPolarHBondContact CB-OD1 3.45Å; S65-N174 PolarHBondContact OG-ND2 2.95Å
175	G	90.3	Very high	87.4	Confident	41 Å²	41	61.6 Å²	61.6	42%	0.423	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	2.9	-174.3	0	0	0	0	0	115.5	R61 R173	R61-G175 PolarHBondContact O-N 3.01Å; R173-G175 PolarHBondContact O-N 3.03Å
176	E	92.9	Very high	90	Very high	147 Å²	147	56.5 Å²	56.5	69%	0.687	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.7	178	-66.2	-176.3	175.3	0	0	111.3	I172 R173	I172-E176 WeakPolarHBondContact CA-O 3.45Å; R173-E176 PolarHBondContact N-O 2.93Å; R173-E176 PolarHBondContact O-N 3.33Å
177	K	93.6	Very high	92.2	Very high	113 Å²	113	52 Å²	52	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.9	173.8	-70.5	-179.5	-178.9	-167.5	0	109.5	L170 V171 I172 E192	L170-K177 HydrophobicContact CD1-CB 4.25Å; V171-K177 WeakPolarHBondContact O-CA 3.13Å; I172-K177 HydrophobicContact CD1-CG 4.39Å; I172-K177 HydrophobicContact CG1-CG 3.97Å; K177-E192 WeakPolarHBondContact CE-OE1 3.38Å; K177-E192 WeakPolarHBondContact CE-OE2 3.3Å; K177-E192 IonicContact NZ-OE1 3.49Å; K177-E192 PolarHBondContact NZ-OE1 2.97Å; K177-E192 IonicContact NZ-OE2 3.66Å; K177-E192 PolarHBondContact NZ-OE2 2.94Å
178	M	93.5	Very high	93.4	Very high	73 Å²	73	48.2 Å²	48.2	36%	0.36	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.5	178.5	59.5	-172.9	-51.7	0	0	111.3	V171 R173 I180	V171-M178 PolarHBondContact N-O 3.39Å; V171-M178 PolarHBondContact O-N 3.17Å; R173-M178 HydrophobicContact CB-SD 4.1Å; R173-M178 HydrophobicContact CG-SD 4.5Å; M178-I180 HydrophobicContact CE-CG2 3.73Å; M178-I180 HydrophobicContact CG-CG2 4.07Å; M178-I180 HydrophobicContact SD-CG2 4.35Å
179	S	92.6	Very high	93.8	Very high	68 Å²	68	41.2 Å²	41.2	48%	0.476	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.2	171.8	-163.6	0	0	0	0	108.8	Q168 A169	Q168-S179 PolarHBondContact OE1-OG 3.22Å; A169-S179 WeakPolarHBondContact O-CA 3.26Å
180	I	93.6	Very high	94	Very high	19 Å²	19	41 Å²	41	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	168.2	178.4	66.9	177	0	0	0	110.4	Q168 A169 V171 M178 D184 V185	Q168-I180 CarbonylContact C-O 3.55Å; Q168-I180 VanDerWaalsContact CA-O 3.26Å; Q168-I180 WeakPolarHBondContact CA-O 3.42Å; A169-I180 PolarHBondContact N-O 3.4Å; A169-I180 PolarHBondContact O-N 3.11Å; V171-I180 HydrophobicContact CB-CD1 4.34Å; V171-I180 HydrophobicContact CG2-CD1 3.58Å; V171-I180 HydrophobicContact CG2-CG1 3.61Å; M178-I180 HydrophobicContact CE-CG2 3.73Å; M178-I180 HydrophobicContact CG-CG2 4.07Å; M178-I180 HydrophobicContact SD-CG2 4.35Å; I180-D184 HydrophobicContact CD1-CB 4.04Å; I180-V185 HydrophobicContact CD1-CG2 4.21Å; I180-V185 HydrophobicContact CG1-CG2 4.45Å
181	N	92.3	Very high	94.1	Very high	53 Å²	53	39 Å²	39	28%	0.283	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.3	170.2	-169.2	-2.5	0	0	0	109.3	Q167 E183 D184	Q167-N181 PolarHBondContact O-OD1 3.45Å; N181-E183 PolarHBondContact ND2-OE2 3.49Å; N181-E183 PolarHBondContact O-N 3.05Å; N181-E183 VanDerWaalsContact O-N 3.14Å; N181-D184 WeakPolarHBondContact O-CB 3.29Å; N181-D184 PolarHBondContact O-N 3.42Å
182	A	90.4	Very high	94.1	Very high	13 Å²	13	40.1 Å²	40.1	11%	0.107	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-58.4	-27.5	179.2	0	0	0	0	0	112.4	N78 Q167 D184 V185	N78-A182 WeakPolarHBondContact CB-O 3.48Å; N78-A182 PolarHBondContact ND2-O 2.98Å; Q167-A182 HydrophobicContact CB-CB 4.28Å; Q167-A182 VanDerWaalsContact O-CB 3.29Å; Q167-A182 WeakPolarHBondContact O-CB 3.34Å; Q167-A182 PolarHBondContact O-N 3.38Å; A182-D184 PolarHBondContact O-N 3.02Å; A182-V185 WeakPolarHBondContact O-CB 3.03Å; A182-V185 WeakPolarHBondContact O-CG2 3.38Å; A182-V185 PolarHBondContact O-N 2.86Å
183	E	91.3	Very high	94	Very high	96 Å²	96	40 Å²	40	45%	0.449	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.5	-25.2	175	-59.6	-179.2	163.1	0	0	113.3	P77 N78 A79 N181 V185	P77-E183 CarbonylContact C-O 3.31Å; P77-E183 WeakPolarHBondContact CA-O 2.94Å; P77-E183 HydrophobicContact CB-CB 4.33Å; N78-E183 PolarHBondContact N-O 3.04Å; A79-E183 HydrophobicContact CB-CG 4.31Å; N181-E183 PolarHBondContact ND2-OE2 3.49Å; N181-E183 PolarHBondContact O-N 3.05Å; N181-E183 VanDerWaalsContact O-N 3.14Å; E183-V185 VanDerWaalsContact C-N 3.35Å
184	D	94.2	Very high	93.8	Very high	65 Å²	65	44.1 Å²	44.1	35%	0.348	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-89.6	0.7	-178.8	-62.7	-37.7	0	0	0	113.2	R173 I180 N181 A182	R173-D184 PolarHBondContact NH2-O 3.16Å; I180-D184 HydrophobicContact CD1-CB 4.04Å; N181-D184 WeakPolarHBondContact O-CB 3.29Å; N181-D184 PolarHBondContact O-N 3.42Å; A182-D184 PolarHBondContact O-N 3.02Å
185	V	95.1	Very high	93.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.			trans	-73.8	136	175.8	176.7	0	0	0	0	109.5	N78 A169 V171 I180 A182 E183 V191 A201 V258	N78-V185 HydrophobicContact CB-CB 4.34Å; N78-V185 WeakPolarHBondContact CB-O 2.97Å; A169-V185 HydrophobicContact CB-CG2 3.66Å; V171-V185 HydrophobicContact CG2-CG2 4.22Å; I180-V185 HydrophobicContact CD1-CG2 4.21Å; I180-V185 HydrophobicContact CG1-CG2 4.45Å; A182-V185 WeakPolarHBondContact O-CB 3.03Å; A182-V185 WeakPolarHBondContact O-CG2 3.38Å; A182-V185 PolarHBondContact O-N 2.86Å; E183-V185 VanDerWaalsContact C-N 3.35Å; V185-V191 HydrophobicContact CG1-CG2 4.37Å; V185-A201 HydrophobicContact CG1-CB 4.31Å; V185-V258 HydrophobicContact CG1-CG2 3.7Å
186	V	96.5	Very high	92.8	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	24%	0.242	C	C	.	.			trans	-126.4	161.8	-177.4	-62.3	0	0	0	0	113	L63 A68 I71 L72 G188 D189 V258	L63-V186 HydrophobicContact CD1-CG2 4.16Å; A68-V186 HydrophobicContact CB-CG2 3.98Å; I71-V186 HydrophobicContact CB-CB 4.08Å; I71-V186 HydrophobicContact CB-CG1 4.36Å; I71-V186 HydrophobicContact CB-CG2 4.15Å; I71-V186 HydrophobicContact CD1-CG2 4.47Å; I71-V186 HydrophobicContact CG2-CB 3.72Å; I71-V186 HydrophobicContact CG2-CG1 4.23Å; I71-V186 HydrophobicContact CG2-CG2 4.21Å; L72-V186 HydrophobicContact CB-CG1 3.69Å; L72-V186 HydrophobicContact CD1-CG1 3.93Å; L72-V186 HydrophobicContact CG-CG1 4.41Å; V186-G188 PolarHBondContact O-N 2.9Å; V186-D189 VanDerWaalsContact CG2-OD2 3.26Å; V186-D189 WeakPolarHBondContact CG2-OD2 3.39Å; V186-D189 PolarHBondContact N-OD2 3.37Å; V186-D189 WeakPolarHBondContact O-CB 3.49Å; V186-D189 PolarHBondContact O-N 3.32Å; V186-D189 VanDerWaalsContact O-N 3.1Å; V186-V258 WeakPolarHBondContact O-CB 3.22Å
187	V	96.1	Very high	92.4	Very high	20 Å²	20	38.7 Å²	38.7	12%	0.121	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	133.1	174.8	179	0	0	0	0	109.9	Y55 T261	Y55-V187 HydrophobicContact CD1-CG1 3.69Å; Y55-V187 HydrophobicContact CE1-CG1 3.56Å; V187-T261 HydrophobicContact CG2-CG2 3.86Å
188	G	94.8	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	-6.4	-175.8	0	0	0	0	0	114.6	T57 L63 V186 V258	T57-G188 VanDerWaalsContact CB-O 3.28Å; T57-G188 WeakPolarHBondContact CB-O 3.48Å; T57-G188 WeakPolarHBondContact CG2-O 3.24Å; T57-G188 PolarHBondContact OG1-O 3.44Å; L63-G188 VanDerWaalsContact CD1-C 3.45Å; L63-G188 WeakPolarHBondContact CG-O 3.42Å; V186-G188 PolarHBondContact O-N 2.9Å; G188-V258 PolarHBondContact N-O 2.92Å
189	D	95.4	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.			trans	-64	149	174.1	-87.7	-36.6	0	0	0	112	V171 R173 V186 V191 I257 V258	V171-D189 HydrophobicContact CG1-CB 3.74Å; R173-D189 IonicContact CZ-OD1 2.67Å; R173-D189 IonicContact CZ-OD2 3.94Å; R173-D189 IonicContact NE-OD1 3.49Å; R173-D189 PolarHBondContact NE-OD1 2.7Å; R173-D189 IonicContact NE-OD2 2.69Å; R173-D189 PolarHBondContact NE-OD2 2.93Å; R173-D189 IonicContact NH2-OD1 3.39Å; R173-D189 IonicContact NH2-OD2 2.98Å; R173-D189 PolarHBondContact NH2-OD2 3.07Å; V186-D189 VanDerWaalsContact CG2-OD2 3.26Å; V186-D189 WeakPolarHBondContact CG2-OD2 3.39Å; V186-D189 PolarHBondContact N-OD2 3.37Å; V186-D189 WeakPolarHBondContact O-CB 3.49Å; V186-D189 PolarHBondContact O-N 3.32Å; V186-D189 VanDerWaalsContact O-N 3.1Å; D189-V191 HydrophobicContact CB-CG2 4.47Å; D189-I257 CarbonylContact O-C 3.55Å; D189-I257 VanDerWaalsContact O-CA 3.31Å; D189-I257 WeakPolarHBondContact O-CA 3.33Å; D189-V258 HydrophobicContact CB-CG2 3.95Å; D189-V258 PolarHBondContact O-N 3.23Å
190	L	96.8	Very high	91.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112.4	169.7	178.9	60.6	0	0	0	109.2	L59 V171 I172 I206 R255	L59-L190 WeakPolarHBondContact O-CD2 3.43Å; V171-L190 VanDerWaalsContact CG1-O 3.28Å; V171-L190 WeakPolarHBondContact CG1-O 3.47Å; I172-L190 HydrophobicContact CB-CB 4.24Å; I172-L190 HydrophobicContact CB-CD2 4Å; I172-L190 HydrophobicContact CB-CG 4.12Å; I172-L190 HydrophobicContact CD1-CD2 3.91Å; I172-L190 HydrophobicContact CD1-CG 4.16Å; I172-L190 HydrophobicContact CG1-CD2 4.47Å; I172-L190 HydrophobicContact CG1-CG 4.48Å; I172-L190 HydrophobicContact CG2-CD2 4.22Å; I172-L190 PolarHBondContact N-O 3.17Å; L190-I206 HydrophobicContact CD1-CD1 3.61Å; L190-I206 HydrophobicContact CD1-CG1 4.36Å; L190-R255 HydrophobicContact CD1-CB 4.16Å
191	V	96.3	Very high	91.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.7	-177	176.3	0	0	0	0	109.8	V171 V185 D189 V193 P200 L203 R255 G256 V258	V171-V191 HydrophobicContact CG1-CG2 4.11Å; V185-V191 HydrophobicContact CG1-CG2 4.37Å; D189-V191 HydrophobicContact CB-CG2 4.47Å; V191-V193 HydrophobicContact CG1-CG1 4.07Å; V191-P200 HydrophobicContact CG1-CG 3.68Å; V191-L203 HydrophobicContact CB-CD1 4.07Å; V191-L203 HydrophobicContact CB-CD2 4.04Å; V191-L203 HydrophobicContact CG1-CD1 3.98Å; V191-L203 HydrophobicContact CG2-CD2 4.08Å; V191-R255 VanDerWaalsContact O-CA 3.26Å; V191-R255 WeakPolarHBondContact O-CA 3.3Å; V191-G256 PolarHBondContact N-O 2.76Å; V191-G256 PolarHBondContact O-N 3.43Å; V191-V258 HydrophobicContact CG2-CG2 3.59Å
192	E	95.8	Very high	92	Very high	22 Å²	22	28.1 Å²	28.1	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.1	171.5	-172.8	174.8	107.5	0	0	109.6	L170 K177 A254 R255	L170-E192 HydrophobicContact CD2-CB 4.16Å; L170-E192 HydrophobicContact CD2-CG 4.4Å; L170-E192 HydrophobicContact CG-CB 4.46Å; L170-E192 PolarHBondContact O-N 2.99Å; K177-E192 WeakPolarHBondContact CE-OE1 3.38Å; K177-E192 WeakPolarHBondContact CE-OE2 3.3Å; K177-E192 IonicContact NZ-OE1 3.49Å; K177-E192 PolarHBondContact NZ-OE1 2.97Å; K177-E192 IonicContact NZ-OE2 3.66Å; K177-E192 PolarHBondContact NZ-OE2 2.94Å; E192-A254 WeakPolarHBondContact CA-O 3.49Å; E192-R255 HydrophobicContact CB-CG 4.21Å; E192-R255 HydrophobicContact CG-CG 4.06Å; E192-R255 IonicContact OE2-CZ 3.71Å; E192-R255 VanDerWaalsContact OE2-CZ 3.27Å; E192-R255 IonicContact OE2-NE 3.6Å; E192-R255 PolarHBondContact OE2-NE 2.92Å; E192-R255 IonicContact OE2-NH2 2.68Å; E192-R255 PolarHBondContact OE2-NH2 3.4Å
193	V	94.2	Very high	92.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.6	177.5	-62.7	0	0	0	0	110.1	V191 I199 L203 T253 A254	V191-V193 HydrophobicContact CG1-CG1 4.07Å; V193-I199 HydrophobicContact CB-CD1 4Å; V193-I199 HydrophobicContact CG1-CD1 3.78Å; V193-I199 HydrophobicContact CG2-CD1 3.84Å; V193-L203 HydrophobicContact CG1-CD1 4.32Å; V193-T253 WeakPolarHBondContact O-CA 3.34Å; V193-A254 HydrophobicContact CG2-CB 3.97Å; V193-A254 PolarHBondContact N-O 2.91Å; V193-A254 PolarHBondContact O-N 3.15Å
194	K	90.3	Very high	92.5	Very high	111 Å²	111	23.4 Å²	23.4	48%	0.483	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.4	179.5	48.3	174.4	179.1	178.3	0	109.8	G196 D197 C249 G252	K194-G196 PolarHBondContact O-N 3.15Å; K194-D197 WeakPolarHBondContact CE-OD1 3.2Å; K194-D197 WeakPolarHBondContact CE-OD2 3.33Å; K194-D197 HydrophobicContact CG-CB 4.47Å; K194-D197 WeakPolarHBondContact CG-OD2 3.23Å; K194-D197 WeakPolarHBondContact O-CB 3.43Å; K194-D197 PolarHBondContact O-N 3.36Å; K194-C249 WeakPolarHBondContact O-CB 3.29Å; K194-G252 WeakPolarHBondContact CA-O 3.49Å
195	G	84.1	Confident	92.7	Very high	39 Å²	39	20.3 Å²	20.3	40%	0.402	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	125.2	177.2	0	0	0	0	0	112.1	G252	G195-G252 PolarHBondContact N-O 2.96Å
196	G	79.6	Confident	92.7	Very high	61 Å²	61	21.3 Å²	21.3	63%	0.629	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.2	-22.4	-173.1	0	0	0	0	0	114.4	K194 C249	K194-G196 PolarHBondContact O-N 3.15Å; G196-C249 PolarHBondContact N-O 2.92Å
197	D	84.8	Confident	92.6	Very high	52 Å²	52	23.6 Å²	23.6	28%	0.278	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-81.9	148	-179.7	-66.1	-4.5	0	0	0	111.4	K194 C249	K194-D197 WeakPolarHBondContact CE-OD1 3.2Å; K194-D197 WeakPolarHBondContact CE-OD2 3.33Å; K194-D197 HydrophobicContact CG-CB 4.47Å; K194-D197 WeakPolarHBondContact CG-OD2 3.23Å; K194-D197 WeakPolarHBondContact O-CB 3.43Å; K194-D197 PolarHBondContact O-N 3.36Å; D197-C249 WeakPolarHBondContact O-CB 3.21Å; D197-C249 PolarHBondContact O-N 3.5Å
198	R	85.9	Confident	92.6	Very high	96 Å²	96	24.3 Å²	24.3	36%	0.362	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-86.2	143.9	170.7	-158.7	178.7	-168.5	-162	8.9	110.3	Q167 P200 S246 T247	Q167-R198 VanDerWaalsContact NE2-NH1 3.17Å; R198-P200 WeakPolarHBondContact O-CD 3.36Å; R198-S246 PolarHBondContact NE-O 3.38Å; R198-S246 PolarHBondContact NH2-O 3.02Å; R198-T247 WeakPolarHBondContact CG-O 3.46Å
199	I	91.9	Very high	92.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-72.9	119.4	177.7	-54.8	-54.7	0	0	0	109.2	V193 A201 L203 V213 A243 F244 S246 T247 C249	V193-I199 HydrophobicContact CB-CD1 4Å; V193-I199 HydrophobicContact CG1-CD1 3.78Å; V193-I199 HydrophobicContact CG2-CD1 3.84Å; I199-A201 WeakPolarHBondContact CG2-O 3.49Å; I199-L203 HydrophobicContact CG2-CD1 4.04Å; I199-L203 HydrophobicContact CG2-CG 4.1Å; I199-V213 HydrophobicContact CD1-CG1 4.44Å; I199-A243 HydrophobicContact CD1-CB 4.3Å; I199-A243 HydrophobicContact CG1-CB 4.29Å; I199-A243 HydrophobicContact CG2-CB 4.13Å; I199-F244 WeakPolarHBondContact CB-O 3.27Å; I199-F244 WeakPolarHBondContact CG2-O 3.49Å; I199-S246 PolarHBondContact O-N 3.42Å; I199-T247 WeakPolarHBondContact CG1-O 3.35Å; I199-T247 VanDerWaalsContact CG1-OG1 3.29Å; I199-T247 WeakPolarHBondContact CG1-OG1 3.37Å; I199-T247 PolarHBondContact N-O 2.89Å; I199-C249 HydrophobicContact CD1-CB 4.35Å
200	P	91.6	Very high	91.9	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.045	21%	0.206	C	C	.	.			trans	-81.1	-19.1	-168.1	31.1	-36.2	0	0	0	114.6	N78 A169 V191 R198 F245	N78-P200 PolarHBondContact ND2-O 2.88Å; A169-P200 HydrophobicContact CB-CB 3.69Å; A169-P200 HydrophobicContact CB-CG 3.95Å; V191-P200 HydrophobicContact CG1-CG 3.68Å; R198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-F245 VanDerWaalsContact O-CD2 3.24Å; P200-F245 WeakPolarHBondContact O-CD2 3.35Å; P200-F245 WeakPolarHBondContact O-CE2 3.33Å
201	A	92.7	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-160.5	173.8	-179	0	0	0	0	0	109.1	V185 I199 L203 V258 Y260 T261	V185-A201 HydrophobicContact CG1-CB 4.31Å; I199-A201 WeakPolarHBondContact CG2-O 3.49Å; A201-L203 HydrophobicContact CB-CD2 4.47Å; A201-L203 WeakPolarHBondContact O-CG 3.21Å; A201-L203 PolarHBondContact O-N 3.32Å; A201-V258 HydrophobicContact CB-CG1 3.75Å; A201-V258 HydrophobicContact CB-CG2 4.37Å; A201-Y260 WeakPolarHBondContact CB-O 3.34Å; A201-T261 HydrophobicContact CB-CG2 4.46Å
202	D	94.6	Very high	91.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	120.5	173.8	-70.3	-13.3	0	0	0	109.6	A243 F244 F245 V259 Y260 T265 V266	D202-A243 CarbonylContact C-O 3.32Å; D202-A243 WeakPolarHBondContact CA-O 3.45Å; D202-F244 WeakPolarHBondContact OD1-CA 3.36Å; D202-F245 PolarHBondContact OD1-N 3.33Å; D202-V259 PolarHBondContact O-N 2.79Å; D202-Y260 PolarHBondContact N-O 3.12Å; D202-Y260 VanDerWaalsContact N-O 3.17Å; D202-Y260 PolarHBondContact O-N 3.25Å; D202-T265 HydrophobicContact CB-CG2 4.43Å; D202-T265 WeakPolarHBondContact OD2-CA 3.4Å; D202-T265 WeakPolarHBondContact OD2-CB 3.49Å; D202-V266 PolarHBondContact OD2-N 2.96Å
203	L	95.8	Very high	90.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.3	-173.6	-51.5	-178.8	0	0	0	111.9	V191 V193 I199 A201 I205 I242 A243 I257 V258	V191-L203 HydrophobicContact CB-CD1 4.07Å; V191-L203 HydrophobicContact CB-CD2 4.04Å; V191-L203 HydrophobicContact CG1-CD1 3.98Å; V191-L203 HydrophobicContact CG2-CD2 4.08Å; V193-L203 HydrophobicContact CG1-CD1 4.32Å; I199-L203 HydrophobicContact CG2-CD1 4.04Å; I199-L203 HydrophobicContact CG2-CG 4.1Å; A201-L203 HydrophobicContact CB-CD2 4.47Å; A201-L203 WeakPolarHBondContact O-CG 3.21Å; A201-L203 PolarHBondContact O-N 3.32Å; L203-I205 HydrophobicContact CB-CD1 4.46Å; L203-I242 CarbonylContact O-C 3.43Å; L203-I242 VanDerWaalsContact O-CA 3.29Å; L203-I242 WeakPolarHBondContact O-CA 3.46Å; L203-A243 HydrophobicContact CB-CB 4.4Å; L203-A243 PolarHBondContact N-O 3.28Å; L203-A243 PolarHBondContact O-N 2.9Å; L203-I257 CarbonylContact C-O 3.56Å; L203-I257 WeakPolarHBondContact CA-O 3.13Å; L203-V258 HydrophobicContact CD2-CB 4.22Å; L203-V258 HydrophobicContact CD2-CG2 3.55Å
204	R	96.7	Very high	90.3	Very high	9 Å²	9	36 Å²	36	3%	0.034	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	110.1	163.4	-178.6	69.6	-173.7	81.9	7.6	110	H44 L51 I206 P229 N241 I242 G256 I257 V259	H44-R204 PolarHBondContact O-NE 2.77Å; L51-R204 HydrophobicContact CD1-CG 4.16Å; L51-R204 HydrophobicContact CD2-CB 4.05Å; L51-R204 HydrophobicContact CD2-CG 3.5Å; L51-R204 VanDerWaalsContact CD2-CG 3.5Å; L51-R204 HydrophobicContact CG-CG 4.49Å; R204-I206 PolarHBondContact O-N 3.17Å; R204-P229 PolarHBondContact NH1-O 3.35Å; R204-P229 PolarHBondContact NH2-O 2.67Å; R204-N241 WeakPolarHBondContact CD-O 3.12Å; R204-N241 PolarHBondContact NH1-ND2 2.92Å; R204-N241 PolarHBondContact NH1-O 2.99Å; R204-N241 PolarHBondContact NH2-ND2 3.34Å; R204-I242 HydrophobicContact CB-CD1 4.17Å; R204-I242 HydrophobicContact CG-CD1 4.49Å; R204-G256 CarbonylContact O-C 3.43Å; R204-G256 WeakPolarHBondContact O-CA 3.31Å; R204-I257 PolarHBondContact N-O 3.13Å; R204-I257 PolarHBondContact O-N 2.89Å; R204-V259 HydrophobicContact CB-CG2 3.55Å
205	I	97	Very high	90.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.9	-176.7	-55.2	-56.1	0	0	0	110.5	L203 A208 R227 P229 N241 A243 A254	L203-I205 HydrophobicContact CB-CD1 4.46Å; I205-A208 HydrophobicContact CG2-CB 3.93Å; I205-R227 HydrophobicContact CG1-CB 4.43Å; I205-P229 WeakPolarHBondContact O-CA 3.04Å; I205-N241 PolarHBondContact N-O 2.85Å; I205-A243 HydrophobicContact CD1-CB 3.91Å; I205-A243 HydrophobicContact CG1-CB 4.48Å; I205-A254 HydrophobicContact CD1-CB 4.26Å
206	I	96.2	Very high	89.7	Confident	20 Å²	20	30.1 Å²	30.1	10%	0.103	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-21.5	178.9	64.9	170.6	0	0	0	112.5	L48 L51 L59 L190 R204 P229 R255 I257	L48-I206 HydrophobicContact CD2-CB 3.86Å; L48-I206 HydrophobicContact CD2-CG2 3.56Å; L51-I206 HydrophobicContact CD2-CG2 4.27Å; L59-I206 HydrophobicContact CB-CD1 4.29Å; L59-I206 HydrophobicContact CD2-CD1 4.16Å; L59-I206 HydrophobicContact CD2-CG2 4.45Å; L59-I206 WeakPolarHBondContact O-CD1 3.37Å; L190-I206 HydrophobicContact CD1-CD1 3.61Å; L190-I206 HydrophobicContact CD1-CG1 4.36Å; R204-I206 PolarHBondContact O-N 3.17Å; I206-P229 WeakPolarHBondContact O-CB 3.41Å; I206-R255 HydrophobicContact CG1-CB 4.37Å; I206-R255 PolarHBondContact N-O 2.84Å; I206-I257 HydrophobicContact CG2-CD1 4.23Å; I206-I257 HydrophobicContact CG2-CG1 4.26Å
207	S	94.9	Very high	89.3	Confident	51 Å²	51	28.3 Å²	28.3	36%	0.357	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	136.8	172.4	66.2	0	0	0	0	109.6	A254 R255	S207-A254 CarbonylContact O-C 3.53Å; S207-A254 WeakPolarHBondContact O-CA 3.28Å; S207-R255 PolarHBondContact N-O 3.23Å; S207-R255 PolarHBondContact O-N 3.39Å; S207-R255 WeakPolarHBondContact OG-CB 3.35Å
208	A	94.5	Very high	88.9	Confident	35 Å²	35	26.4 Å²	26.4	29%	0.289	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.2	176.6	0	0	0	0	0	110.3	I205 C211 R227 T253 A254	I205-A208 HydrophobicContact CG2-CB 3.93Å; A208-C211 HydrophobicContact CB-CB 4.02Å; A208-R227 WeakPolarHBondContact CB-O 3.47Å; A208-T253 WeakPolarHBondContact CA-O 3.5Å; A208-A254 HydrophobicContact CB-CB 4.05Å
209	N	90.9	Very high	88.5	Confident	122 Å²	122	23.1 Å²	23.1	65%	0.652	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	107.8	172.8	-177.2	24.1	0	0	0	109.5	C211 G252 T253	N209-C211 PolarHBondContact O-N 2.86Å; N209-G252 WeakPolarHBondContact O-CA 3.22Å; N209-T253 HydrophobicContact CB-CG2 4.49Å; N209-T253 PolarHBondContact N-O 3.34Å; N209-T253 PolarHBondContact O-N 2.88Å
210	G	84.9	Confident	87.4	Confident	52 Å²	52	23.1 Å²	23.1	54%	0.536	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	22	-178.5	0	0	0	0	0	114.3	K212 G252	G210-K212 PolarHBondContact O-N 3.33Å; G210-G252 WeakPolarHBondContact O-CA 3.41Å
211	C	89.8	Confident	86.6	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.9	-173.1	-176.2	0	0	0	0	111.2	A208 N209 T226 R227 E251 A254	A208-C211 HydrophobicContact CB-CB 4.02Å; N209-C211 PolarHBondContact O-N 2.86Å; C211-T226 WeakPolarHBondContact O-CA 3.29Å; C211-R227 HydrophobicContact CB-CB 4.3Å; C211-R227 PolarHBondContact O-N 3.02Å; C211-E251 VanDerWaalsContact CA-O 3.31Å; C211-E251 WeakPolarHBondContact CA-O 3.28Å; C211-A254 HydrophobicContact CB-CB 3.88Å
212	K	88.2	Confident	85.3	Confident	54 Å²	54	25.6 Å²	25.6	24%	0.235	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.2	167.8	-58	-170.1	-171.6	145.1	0	110.3	G210 P224 Q225 V250 E251	G210-K212 PolarHBondContact O-N 3.33Å; K212-P224 HydrophobicContact CB-CB 3.85Å; K212-P224 HydrophobicContact CD-CB 4.01Å; K212-Q225 WeakPolarHBondContact CA-O 3.24Å; K212-V250 PolarHBondContact O-N 3.39Å; K212-E251 HydrophobicContact CB-CG 3.97Å; K212-E251 HydrophobicContact CD-CG 4.24Å; K212-E251 WeakPolarHBondContact CD-OE1 3.32Å; K212-E251 WeakPolarHBondContact CE-OE1 3.44Å; K212-E251 HydrophobicContact CG-CG 4.04Å; K212-E251 PolarHBondContact N-O 3.44Å; K212-E251 IonicContact NZ-OE1 3.9Å; K212-E251 PolarHBondContact NZ-OE1 2.93Å
213	V	88.6	Confident	84.4	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.7	178.7	-63	0	0	0	0	110.8	I199 N215 P224 Q225 R227 N248	I199-V213 HydrophobicContact CD1-CG1 4.44Å; V213-N215 WeakPolarHBondContact CG2-OD1 3.41Å; V213-P224 CarbonylContact O-C 3.58Å; V213-P224 WeakPolarHBondContact O-CA 3.41Å; V213-Q225 HydrophobicContact CG2-CB 4.49Å; V213-Q225 PolarHBondContact N-O 2.89Å; V213-Q225 PolarHBondContact O-N 3.47Å; V213-R227 HydrophobicContact CB-CG 4.33Å; V213-R227 HydrophobicContact CG1-CG 3.73Å; V213-R227 HydrophobicContact CG2-CG 3.7Å; V213-N248 CarbonylContact C-O 3.55Å; V213-N248 VanDerWaalsContact CA-O 3.23Å; V213-N248 WeakPolarHBondContact CA-O 3.35Å
214	D	84.1	Confident	83.7	Confident	42 Å²	42	31.5 Å²	31.5	23%	0.225	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	107.4	171.5	177.3	8.6	0	0	0	109.4	S216 T247 N248 V250	D214-S216 VanDerWaalsContact CG-OG 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.41Å; D214-S216 PolarHBondContact OD1-N 2.9Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-S216 PolarHBondContact OD2-OG 3.17Å; D214-T247 WeakPolarHBondContact O-CB 3.09Å; D214-N248 PolarHBondContact N-O 3.49Å; D214-V250 HydrophobicContact CB-CG2 3.68Å
215	N	85.1	Confident	83.3	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	20%	0.203	C	C	.	.			trans	-93.4	11.3	179.9	-74.9	-14.4	0	0	0	113	V213 S217 L218 T219 T247	V213-N215 WeakPolarHBondContact CG2-OD1 3.41Å; N215-S217 PolarHBondContact O-N 2.82Å; N215-L218 PolarHBondContact O-N 2.91Å; N215-T219 HydrophobicContact CB-CG2 4.27Å; N215-T219 PolarHBondContact O-N 3.13Å; N215-T219 PolarHBondContact O-OG1 2.79Å; N215-T247 WeakPolarHBondContact OD1-CG2 3.41Å
216	S	75.5	Confident	82.9	Confident	21 Å²	21	36.6 Å²	36.6	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-50.8	-34.6	-177.2	56.8	0	0	0	0	113.7	D214 L218 G220 E221	D214-S216 VanDerWaalsContact CG-OG 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.41Å; D214-S216 PolarHBondContact OD1-N 2.9Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-S216 PolarHBondContact OD2-OG 3.17Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.41Å; S216-G220 WeakPolarHBondContact O-CA 3.43Å; S216-G220 PolarHBondContact O-N 3.12Å; S216-E221 WeakPolarHBondContact CA-O 3.29Å; S216-E221 WeakPolarHBondContact CB-O 3.35Å; S216-E221 PolarHBondContact N-O 2.87Å; S216-E221 VanDerWaalsContact N-O 3.1Å
217	S	71.7	Confident	82.8	Confident	24 Å²	24	36 Å²	36	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-29.2	176.6	-65.6	0	0	0	0	114.3	N215 V719 N720	N215-S217 PolarHBondContact O-N 2.82Å; S217-V719 PolarHBondContact O-N 3.27Å; S217-N720 PolarHBondContact O-N 2.98Å
218	L	77	Confident	82.7	Confident	11 Å²	11	34.7 Å²	34.7	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-99.6	-45	179.4	-85.3	82.4	0	0	0	112.6	N215 S216 L237 F244 T247 V266 M267 N720	N215-L218 PolarHBondContact O-N 2.91Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.41Å; L218-L237 HydrophobicContact CD2-CD2 4.18Å; L218-F244 HydrophobicContact CD1-CB 4.08Å; L218-F244 HydrophobicContact CD2-CB 3.98Å; L218-F244 HydrophobicContact CD2-CD1 4.03Å; L218-F244 HydrophobicContact CD2-CD2 3.99Å; L218-F244 HydrophobicContact CD2-CG 3.71Å; L218-T247 HydrophobicContact CD1-CG2 3.71Å; L218-V266 HydrophobicContact CD2-CB 4.33Å; L218-V266 HydrophobicContact CD2-CG1 3.69Å; L218-M267 HydrophobicContact CD1-CE 4.47Å; L218-M267 HydrophobicContact CD1-CG 3.53Å; L218-M267 HydrophobicContact CD1-SD 3.34Å; L218-M267 WeakPolarHBondContact CD1-SD 3.29Å; L218-M267 HydrophobicContact CG-CG 4.08Å; L218-M267 HydrophobicContact CG-SD 3.57Å; L218-M267 VanDerWaalsContact CG-SD 3.57Å; L218-N720 VanDerWaalsContact O-CB 3.31Å; L218-N720 WeakPolarHBondContact O-CB 3.32Å
219	T	76.6	Confident	82.7	Confident	27 Å²	27	34.9 Å²	34.9	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-97.6	-17	-172.4	60.5	0	0	0	0	112.3	N215 E221 G618	N215-T219 HydrophobicContact CB-CG2 4.27Å; N215-T219 PolarHBondContact O-N 3.13Å; N215-T219 PolarHBondContact O-OG1 2.79Å; T219-E221 PolarHBondContact O-N 3.11Å; T219-E221 WeakPolarHBondContact OG1-CB 3.49Å; T219-E221 PolarHBondContact OG1-N 3.09Å; T219-E221 VanDerWaalsContact OG1-N 3.12Å; T219-G618 VanDerWaalsContact O-CA 3.28Å; T219-G618 WeakPolarHBondContact O-CA 3.3Å
220	G	69.5	Low	82.8	Confident	2 Å²	2	34.4 Å²	34.4	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	70.1	10.7	-166.1	0	0	0	0	0	112.6	S216 T378	S216-G220 WeakPolarHBondContact O-CA 3.43Å; S216-G220 PolarHBondContact O-N 3.12Å; G220-T378 WeakPolarHBondContact O-CB 3.31Å; G220-T378 VanDerWaalsContact O-CG2 3.25Å; G220-T378 WeakPolarHBondContact O-CG2 3.49Å; G220-T378 PolarHBondContact O-OG1 2.91Å
221	E	73.9	Confident	83.1	Confident	22 Å²	22	36.1 Å²	36.1	10%	0.103	20%	0.196	C	C	.	.			trans	-106.5	127.7	177.7	-65.5	178.9	162.2	0	0	110.8	S216 T219 D619 R692	S216-E221 WeakPolarHBondContact CA-O 3.29Å; S216-E221 WeakPolarHBondContact CB-O 3.35Å; S216-E221 PolarHBondContact N-O 2.87Å; S216-E221 VanDerWaalsContact N-O 3.1Å; T219-E221 PolarHBondContact O-N 3.11Å; T219-E221 WeakPolarHBondContact OG1-CB 3.49Å; T219-E221 PolarHBondContact OG1-N 3.09Å; T219-E221 VanDerWaalsContact OG1-N 3.12Å; E221-D619 HydrophobicContact CG-CB 4.43Å; E221-D619 VanDerWaalsContact OE1-CA 3.31Å; E221-D619 WeakPolarHBondContact OE1-CA 3.37Å; E221-R692 IonicContact OE1-CZ 2.84Å; E221-R692 IonicContact OE1-NH1 2.88Å; E221-R692 PolarHBondContact OE1-NH1 3.08Å; E221-R692 IonicContact OE2-NH1 2.8Å; E221-R692 PolarHBondContact OE2-NH1 3.45Å
222	S	66	Low	83.2	Confident	36 Å²	36	39.2 Å²	39.2	25%	0.252	22%	0.215	S	C	.	.			trans	-97.2	3.6	-177	-49.1	0	0	0	0	113.3	P224 N384	S222-P224 VanDerWaalsContact O-CD 3.31Å; S222-P224 WeakPolarHBondContact O-CD 3.49Å; S222-N384 WeakPolarHBondContact CB-OD1 3.5Å; S222-N384 PolarHBondContact OG-OD1 3.23Å
223	E	75.6	Confident	83.2	Confident	98 Å²	98	39.2 Å²	39.2	46%	0.458	22%	0.217	S	C	.	.	S	Bend	trans	-69.9	121.7	169.9	-176.3	169.7	-154.9	0	0	109.4	Q225 R551	E223-Q225 PolarHBondContact O-N 2.85Å; E223-Q225 PolarHBondContact O-NE2 3.31Å; E223-R551 IonicContact OE1-NH1 3.42Å; E223-R551 PolarHBondContact OE1-NH1 2.8Å
224	P	81.9	Confident	83.1	Confident	27 Å²	27	44.8 Å²	44.8	18%	0.175	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-61.6	121.4	179.3	-23.9	34.8	0	0	0	111.7	K212 V213 S222 V250	K212-P224 HydrophobicContact CB-CB 3.85Å; K212-P224 HydrophobicContact CD-CB 4.01Å; V213-P224 CarbonylContact O-C 3.58Å; V213-P224 WeakPolarHBondContact O-CA 3.41Å; S222-P224 VanDerWaalsContact O-CD 3.31Å; S222-P224 WeakPolarHBondContact O-CD 3.49Å; P224-V250 HydrophobicContact CB-CB 4.38Å; P224-V250 HydrophobicContact CB-CG2 4.17Å; P224-V250 HydrophobicContact CG-CG1 4.26Å; P224-V250 HydrophobicContact CG-CG2 4.26Å
225	Q	86.3	Confident	83	Confident	57 Å²	57	45.3 Å²	45.3	27%	0.266	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.4	-178.1	-63.5	-59	-45.3	0	0	111.1	K212 V213 E223	K212-Q225 WeakPolarHBondContact CA-O 3.24Å; V213-Q225 HydrophobicContact CG2-CB 4.49Å; V213-Q225 PolarHBondContact N-O 2.89Å; V213-Q225 PolarHBondContact O-N 3.47Å; E223-Q225 PolarHBondContact O-N 2.85Å; E223-Q225 PolarHBondContact O-NE2 3.31Å
226	T	90.1	Very high	83.1	Confident	60 Å²	60	45.6 Å²	45.6	37%	0.368	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.1	177.2	-54.4	0	0	0	0	111.6	C211	C211-T226 WeakPolarHBondContact O-CA 3.29Å
227	R	93.4	Very high	83.6	Confident	9 Å²	9	46.9 Å²	46.9	3%	0.034	25%	0.253	C	S	.	.			trans	-110.9	134.4	173.1	-59.6	-63.7	90.3	179.7	-1.5	111.2	I205 A208 C211 V213 T239 R240 I242	I205-R227 HydrophobicContact CG1-CB 4.43Å; A208-R227 WeakPolarHBondContact CB-O 3.47Å; C211-R227 HydrophobicContact CB-CB 4.3Å; C211-R227 PolarHBondContact O-N 3.02Å; V213-R227 HydrophobicContact CB-CG 4.33Å; V213-R227 HydrophobicContact CG1-CG 3.73Å; V213-R227 HydrophobicContact CG2-CG 3.7Å; R227-T239 PolarHBondContact NH1-O 3.08Å; R227-R240 CarbonylContact C-O 3.59Å; R227-R240 WeakPolarHBondContact CA-O 3.36Å; R227-R240 WeakPolarHBondContact CD-O 3.4Å; R227-I242 WeakPolarHBondContact CD-O 3.4Å; R227-I242 PolarHBondContact NH1-O 2.72Å
228	S	93.2	Very high	84.2	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.161	26%	0.261	C	S	.	.			trans	-138.3	153.3	179.3	59	0	0	0	0	110.3	D230 R240 N241	S228-D230 VanDerWaalsContact C-N 3.27Å; S228-D230 PolarHBondContact O-N 3.48Å; S228-R240 PolarHBondContact N-O 2.9Å; S228-R240 CarbonylContact O-C 3.58Å; S228-R240 VanDerWaalsContact OG-CB 3.25Å; S228-R240 WeakPolarHBondContact OG-CB 3.41Å; S228-N241 WeakPolarHBondContact O-CA 3.35Å; S228-N241 WeakPolarHBondContact O-CB 3.48Å
229	P	94.4	Very high	84.8	Confident	38 Å²	38	48.7 Å²	48.7	25%	0.247	26%	0.259	C	S	.	.	S	Bend	trans	-68.5	-26.1	178.6	26.9	-33.5	0	0	0	113.7	R204 I205 I206	R204-P229 PolarHBondContact NH1-O 3.35Å; R204-P229 PolarHBondContact NH2-O 2.67Å; I205-P229 WeakPolarHBondContact O-CA 3.04Å; I206-P229 WeakPolarHBondContact O-CB 3.41Å
230	D	92.1	Very high	85.6	Confident	112 Å²	112	53.4 Å²	53.4	60%	0.599	27%	0.273	S	S	*	.	S	Bend	trans	-74.2	139.6	-176.7	-52.7	-60.1	0	0	0	113	S228 N241	S228-D230 VanDerWaalsContact C-N 3.27Å; S228-D230 PolarHBondContact O-N 3.48Å; D230-N241 VanDerWaalsContact O-CB 3.3Å; D230-N241 WeakPolarHBondContact O-CB 3.42Å
231	F	92.9	Very high	86.9	Confident	88 Å²	88	53.3 Å²	53.3	39%	0.386	27%	0.272	S	S	.	.			trans	-66.5	133.9	171.6	168.3	-97.4	0	0	0	111.5	H44 K45 N233 E234 N241	H44-F231 AromaticContact CD2-CD2 3.73Å; H44-F231 AromaticContact CD2-CE2 3.61Å; H44-F231 AromaticContact NE2-CE2 3.82Å; K45-F231 HydrophobicContact CG-CD2 4.33Å; K45-F231 HydrophobicContact CG-CE2 3.87Å; F231-N233 VanDerWaalsContact CE2-C 3.48Å; F231-N233 WeakPolarHBondContact CE2-O 3.47Å; F231-N233 WeakPolarHBondContact CZ-O 3.21Å; F231-E234 HydrophobicContact CZ-CG 4.45Å; F231-N241 WeakPolarHBondContact CA-ND2 3.36Å; F231-N241 PolarHBondContact N-ND2 2.8Å
232	T	90.6	Very high	87.9	Confident	68 Å²	68	52.3 Å²	52.3	42%	0.417	27%	0.268	S	S	.	.			trans	-129.6	-21.4	-174.6	62.2	0	0	0	0	115.5	T239 R240	T232-T239 PolarHBondContact N-OG1 3.18Å; T232-T239 WeakPolarHBondContact OG1-CA 3.29Å; T232-T239 PolarHBondContact OG1-OG1 2.88Å; T232-R240 HydrophobicContact CG2-CB 4.1Å; T232-R240 HydrophobicContact CG2-CG 4.1Å; T232-R240 PolarHBondContact OG1-N 2.72Å
233	N	88.6	Confident	89.2	Confident	54 Å²	54	50.6 Å²	50.6	29%	0.289	26%	0.256	S	S	.	.			trans	-155.2	141.6	-174.3	-168.2	-44.8	0	0	0	109.7	F231 N235 E238	F231-N233 VanDerWaalsContact CE2-C 3.48Å; F231-N233 WeakPolarHBondContact CE2-O 3.47Å; F231-N233 WeakPolarHBondContact CZ-O 3.21Å; N233-N235 VanDerWaalsContact C-N 3.3Å; N233-N235 PolarHBondContact O-N 2.93Å; N233-N235 PolarHBondContact OD1-N 3.31Å; N233-E238 HydrophobicContact CB-CB 4.22Å; N233-E238 PolarHBondContact ND2-OE2 3.03Å
234	E	85.4	Confident	89.9	Confident	117 Å²	117	46 Å²	46	55%	0.547	23%	0.234	S	C	.	.	S	Bend	trans	-59.4	-39	175.6	-74	-64.5	148.9	0	0	112.6	H44 K45 F231 P236	H44-E234 PolarHBondContact CE1-O 3.27Å; H44-E234 PolarHBondContact NE2-O 3.3Å; K45-E234 WeakPolarHBondContact CE-OE2 3.34Å; K45-E234 IonicContact NZ-OE2 2.78Å; K45-E234 PolarHBondContact NZ-OE2 3.16Å; F231-E234 HydrophobicContact CZ-CG 4.45Å; E234-P236 WeakPolarHBondContact O-CD 3.38Å
235	N	83.3	Confident	90.2	Very high	54 Å²	54	46.2 Å²	46.2	29%	0.289	23%	0.233	S	C	.	.	S	Bend	trans	-72.4	119.4	177.4	-173.6	-15.8	0	0	0	110	N233 L237 E238 T239	N233-N235 VanDerWaalsContact C-N 3.3Å; N233-N235 PolarHBondContact O-N 2.93Å; N233-N235 PolarHBondContact OD1-N 3.31Å; N235-L237 PolarHBondContact O-N 3.12Å; N235-L237 WeakPolarHBondContact OD1-CB 3.48Å; N235-L237 PolarHBondContact OD1-N 3.42Å; N235-E238 HydrophobicContact CB-CB 4.35Å; N235-E238 HydrophobicContact CB-CG 4.22Å; N235-E238 PolarHBondContact O-N 2.84Å; N235-E238 VanDerWaalsContact O-N 3.08Å; N235-T239 PolarHBondContact O-N 2.8Å; N235-T239 VanDerWaalsContact O-N 3.09Å
236	P	87.9	Confident	89.9	Confident	10 Å²	10	43.7 Å²	43.7	7%	0.065	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.5	-179.8	24.9	-34.6	0	0	0	112.8	M41 E234 E238 T239 F244	M41-P236 HydrophobicContact CB-CB 3.9Å; M41-P236 HydrophobicContact CB-CG 4.05Å; M41-P236 HydrophobicContact SD-CB 4.37Å; E234-P236 WeakPolarHBondContact O-CD 3.38Å; P236-E238 VanDerWaalsContact C-N 3.27Å; P236-E238 PolarHBondContact O-N 2.86Å; P236-T239 WeakPolarHBondContact O-CG2 3.46Å; P236-F244 WeakPolarHBondContact O-CZ 3.44Å
237	L	84.4	Confident	89.7	Confident	47 Å²	47	40.9 Å²	40.9	25%	0.246	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.5	178.8	-58.5	-179.1	0	0	0	113	L218 N235 F244 V266	L218-L237 HydrophobicContact CD2-CD2 4.18Å; N235-L237 PolarHBondContact O-N 3.12Å; N235-L237 WeakPolarHBondContact OD1-CB 3.48Å; N235-L237 PolarHBondContact OD1-N 3.42Å; L237-F244 HydrophobicContact CD2-CE1 4.03Å; L237-F244 HydrophobicContact CD2-CZ 3.94Å; L237-V266 HydrophobicContact CD2-CG1 4.05Å; L237-V266 HydrophobicContact CD2-CG2 4.46Å
238	E	84.4	Confident	89.3	Confident	74 Å²	74	43.6 Å²	43.6	35%	0.346	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-20.1	-176.9	-59.3	-158.3	143.6	0	0	113.4	N233 N235 P236 R692	N233-E238 HydrophobicContact CB-CB 4.22Å; N233-E238 PolarHBondContact ND2-OE2 3.03Å; N235-E238 HydrophobicContact CB-CB 4.35Å; N235-E238 HydrophobicContact CB-CG 4.22Å; N235-E238 PolarHBondContact O-N 2.84Å; N235-E238 VanDerWaalsContact O-N 3.08Å; P236-E238 VanDerWaalsContact C-N 3.27Å; P236-E238 PolarHBondContact O-N 2.86Å; E238-R692 IonicContact OE1-CZ 2.78Å; E238-R692 IonicContact OE1-NE 3.08Å; E238-R692 PolarHBondContact OE1-NE 3.15Å; E238-R692 IonicContact OE1-NH2 3.86Å; E238-R692 PolarHBondContact OE1-NH2 3.1Å
239	T	90.6	Very high	89.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.			trans	-66.1	148.5	-179.9	-163.9	0	0	0	0	111.7	H44 R227 T232 N235 P236 N241 I242	H44-T239 HydrophobicContact CB-CG2 4.21Å; R227-T239 PolarHBondContact NH1-O 3.08Å; T232-T239 PolarHBondContact N-OG1 3.18Å; T232-T239 WeakPolarHBondContact OG1-CA 3.29Å; T232-T239 PolarHBondContact OG1-OG1 2.88Å; N235-T239 PolarHBondContact O-N 2.8Å; N235-T239 VanDerWaalsContact O-N 3.09Å; P236-T239 WeakPolarHBondContact O-CG2 3.46Å; T239-N241 WeakPolarHBondContact CG2-OD1 3.19Å; T239-N241 PolarHBondContact O-N 2.87Å; T239-N241 PolarHBondContact OG1-OD1 3.33Å; T239-I242 HydrophobicContact CG2-CB 4.26Å; T239-I242 HydrophobicContact CG2-CG1 3.86Å
240	R	93.4	Very high	88.5	Confident	125 Å²	125	43.4 Å²	43.4	47%	0.472	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.5	-178.8	-65.8	-172.8	-178.1	169.9	-0.4	113.8	R227 S228 T232	R227-R240 CarbonylContact C-O 3.59Å; R227-R240 WeakPolarHBondContact CA-O 3.36Å; R227-R240 WeakPolarHBondContact CD-O 3.4Å; S228-R240 PolarHBondContact N-O 2.9Å; S228-R240 CarbonylContact O-C 3.58Å; S228-R240 VanDerWaalsContact OG-CB 3.25Å; S228-R240 WeakPolarHBondContact OG-CB 3.41Å; T232-R240 HydrophobicContact CG2-CB 4.1Å; T232-R240 HydrophobicContact CG2-CG 4.1Å; T232-R240 PolarHBondContact OG1-N 2.72Å
241	N	95.5	Very high	88.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	10.1	-163.9	82.8	-11	0	0	0	113	H44 R204 I205 S228 D230 F231 T239	H44-N241 WeakPolarHBondContact CB-OD1 3.33Å; H44-N241 PolarHBondContact O-ND2 2.87Å; R204-N241 WeakPolarHBondContact CD-O 3.12Å; R204-N241 PolarHBondContact NH1-ND2 2.92Å; R204-N241 PolarHBondContact NH1-O 2.99Å; R204-N241 PolarHBondContact NH2-ND2 3.34Å; I205-N241 PolarHBondContact N-O 2.85Å; S228-N241 WeakPolarHBondContact O-CA 3.35Å; S228-N241 WeakPolarHBondContact O-CB 3.48Å; D230-N241 VanDerWaalsContact O-CB 3.3Å; D230-N241 WeakPolarHBondContact O-CB 3.42Å; F231-N241 WeakPolarHBondContact CA-ND2 3.36Å; F231-N241 PolarHBondContact N-ND2 2.8Å; T239-N241 WeakPolarHBondContact CG2-OD1 3.19Å; T239-N241 PolarHBondContact O-N 2.87Å; T239-N241 PolarHBondContact OG1-OD1 3.33Å
242	I	95.2	Very high	87.8	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.5	170.7	-62.5	-66.9	0	0	0	109.6	M41 H44 L203 R204 R227 T239 F244	M41-I242 HydrophobicContact SD-CD1 3.65Å; M41-I242 HydrophobicContact SD-CG1 4.1Å; H44-I242 HydrophobicContact CB-CD1 3.8Å; H44-I242 HydrophobicContact CB-CG1 3.68Å; L203-I242 CarbonylContact O-C 3.43Å; L203-I242 VanDerWaalsContact O-CA 3.29Å; L203-I242 WeakPolarHBondContact O-CA 3.46Å; R204-I242 HydrophobicContact CB-CD1 4.17Å; R204-I242 HydrophobicContact CG-CD1 4.49Å; R227-I242 WeakPolarHBondContact CD-O 3.4Å; R227-I242 PolarHBondContact NH1-O 2.72Å; T239-I242 HydrophobicContact CG2-CB 4.26Å; T239-I242 HydrophobicContact CG2-CG1 3.86Å; I242-F244 HydrophobicContact CB-CE1 4.46Å; I242-F244 HydrophobicContact CB-CZ 4.13Å; I242-F244 HydrophobicContact CG2-CD1 3.88Å; I242-F244 HydrophobicContact CG2-CE1 3.38Å; I242-F244 HydrophobicContact CG2-CE2 4.08Å; I242-F244 HydrophobicContact CG2-CG 4.41Å; I242-F244 HydrophobicContact CG2-CZ 3.48Å; I242-F244 VanDerWaalsContact CG2-CZ 3.48Å
243	A	93.5	Very high	87.9	Confident	1 Å²	1	38 Å²	38	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.9	163.6	0	0	0	0	0	108.9	I199 D202 L203 I205	I199-A243 HydrophobicContact CD1-CB 4.3Å; I199-A243 HydrophobicContact CG1-CB 4.29Å; I199-A243 HydrophobicContact CG2-CB 4.13Å; D202-A243 CarbonylContact C-O 3.32Å; D202-A243 WeakPolarHBondContact CA-O 3.45Å; L203-A243 HydrophobicContact CB-CB 4.4Å; L203-A243 PolarHBondContact N-O 3.28Å; L203-A243 PolarHBondContact O-N 2.9Å; I205-A243 HydrophobicContact CD1-CB 3.91Å; I205-A243 HydrophobicContact CG1-CB 4.48Å
244	F	91.1	Very high	88.2	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.183	C	C	.	.			trans	-105.6	148.4	-168.8	-61.2	-75.3	0	0	0	112.3	I199 D202 L218 P236 L237 I242 S246 T247 V266	I199-F244 WeakPolarHBondContact CB-O 3.27Å; I199-F244 WeakPolarHBondContact CG2-O 3.49Å; D202-F244 WeakPolarHBondContact OD1-CA 3.36Å; L218-F244 HydrophobicContact CD1-CB 4.08Å; L218-F244 HydrophobicContact CD2-CB 3.98Å; L218-F244 HydrophobicContact CD2-CD1 4.03Å; L218-F244 HydrophobicContact CD2-CD2 3.99Å; L218-F244 HydrophobicContact CD2-CG 3.71Å; P236-F244 WeakPolarHBondContact O-CZ 3.44Å; L237-F244 HydrophobicContact CD2-CE1 4.03Å; L237-F244 HydrophobicContact CD2-CZ 3.94Å; I242-F244 HydrophobicContact CB-CE1 4.46Å; I242-F244 HydrophobicContact CB-CZ 4.13Å; I242-F244 HydrophobicContact CG2-CD1 3.88Å; I242-F244 HydrophobicContact CG2-CE1 3.38Å; I242-F244 HydrophobicContact CG2-CE2 4.08Å; I242-F244 HydrophobicContact CG2-CG 4.41Å; I242-F244 HydrophobicContact CG2-CZ 3.48Å; I242-F244 VanDerWaalsContact CG2-CZ 3.48Å; F244-S246 PolarHBondContact O-N 3.25Å; F244-T247 HydrophobicContact CB-CG2 3.93Å; F244-T247 PolarHBondContact O-N 3.34Å; F244-T247 PolarHBondContact O-OG1 3.03Å; F244-V266 HydrophobicContact CD1-CB 4.21Å; F244-V266 HydrophobicContact CD1-CG2 3.8Å; F244-V266 HydrophobicContact CE1-CG2 3.82Å
245	F	87.6	Confident	88.7	Confident	31 Å²	31	33.8 Å²	33.8	14%	0.136	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	142.3	169.1	177.9	-119.1	0	0	0	110.4	L80 P200 D202 T247 T265 M267	L80-F245 HydrophobicContact CD1-CE1 4.28Å; L80-F245 HydrophobicContact CD2-CE1 4.29Å; L80-F245 HydrophobicContact CG-CE1 4.24Å; P200-F245 VanDerWaalsContact O-CD2 3.24Å; P200-F245 WeakPolarHBondContact O-CD2 3.35Å; P200-F245 WeakPolarHBondContact O-CE2 3.33Å; D202-F245 PolarHBondContact OD1-N 3.33Å; F245-T247 PolarHBondContact O-N 2.95Å; F245-T265 HydrophobicContact CB-CG2 3.91Å; F245-T265 HydrophobicContact CG-CG2 4.35Å; F245-M267 HydrophobicContact CD1-CB 3.85Å; F245-M267 WeakPolarHBondContact O-CG 3.46Å
246	S	79.9	Confident	89.3	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.035	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-7.3	177.3	108.3	0	0	0	0	117	R198 I199 F244 M267	R198-S246 PolarHBondContact NE-O 3.38Å; R198-S246 PolarHBondContact NH2-O 3.02Å; I199-S246 PolarHBondContact O-N 3.42Å; F244-S246 PolarHBondContact O-N 3.25Å; S246-M267 VanDerWaalsContact OG-CE 3.27Å; S246-M267 WeakPolarHBondContact OG-CE 3.39Å
247	T	86.3	Confident	89.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.			trans	-81.1	164.2	173.2	69.2	0	0	0	0	111.2	R198 I199 D214 N215 L218 F244 F245	R198-T247 WeakPolarHBondContact CG-O 3.46Å; I199-T247 WeakPolarHBondContact CG1-O 3.35Å; I199-T247 VanDerWaalsContact CG1-OG1 3.29Å; I199-T247 WeakPolarHBondContact CG1-OG1 3.37Å; I199-T247 PolarHBondContact N-O 2.89Å; D214-T247 WeakPolarHBondContact O-CB 3.09Å; N215-T247 WeakPolarHBondContact OD1-CG2 3.41Å; L218-T247 HydrophobicContact CD1-CG2 3.71Å; F244-T247 HydrophobicContact CB-CG2 3.93Å; F244-T247 PolarHBondContact O-N 3.34Å; F244-T247 PolarHBondContact O-OG1 3.03Å; F245-T247 PolarHBondContact O-N 2.95Å
248	N	85	Confident	90.3	Very high	66 Å²	66	28.5 Å²	28.5	35%	0.353	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	-177.7	-73.4	54.5	0	0	0	110.8	V213 D214 V250	V213-N248 CarbonylContact C-O 3.55Å; V213-N248 VanDerWaalsContact CA-O 3.23Å; V213-N248 WeakPolarHBondContact CA-O 3.35Å; D214-N248 PolarHBondContact N-O 3.49Å; N248-V250 PolarHBondContact O-N 3.38Å
249	C	88.3	Confident	90.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	116	166.5	-172.2	0	0	0	0	108	K194 G196 D197 I199 E251	K194-C249 WeakPolarHBondContact O-CB 3.29Å; G196-C249 PolarHBondContact N-O 2.92Å; D197-C249 WeakPolarHBondContact O-CB 3.21Å; D197-C249 PolarHBondContact O-N 3.5Å; I199-C249 HydrophobicContact CD1-CB 4.35Å; C249-E251 PolarHBondContact SG-O 3.02Å
250	V	83.4	Confident	91	Very high	57 Å²	57	28 Å²	28	35%	0.345	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-45.2	-176.9	-178.9	0	0	0	0	110	K212 D214 P224 N248	K212-V250 PolarHBondContact O-N 3.39Å; D214-V250 HydrophobicContact CB-CG2 3.68Å; P224-V250 HydrophobicContact CB-CB 4.38Å; P224-V250 HydrophobicContact CB-CG2 4.17Å; P224-V250 HydrophobicContact CG-CG1 4.26Å; P224-V250 HydrophobicContact CG-CG2 4.26Å; N248-V250 PolarHBondContact O-N 3.38Å
251	E	82.2	Confident	90.9	Very high	65 Å²	65	22.1 Å²	22.1	30%	0.304	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166.1	-179.3	61.2	175	-176.9	0	0	111.8	C211 K212 C249	C211-E251 VanDerWaalsContact CA-O 3.31Å; C211-E251 WeakPolarHBondContact CA-O 3.28Å; K212-E251 HydrophobicContact CB-CG 3.97Å; K212-E251 HydrophobicContact CD-CG 4.24Å; K212-E251 WeakPolarHBondContact CD-OE1 3.32Å; K212-E251 WeakPolarHBondContact CE-OE1 3.44Å; K212-E251 HydrophobicContact CG-CG 4.04Å; K212-E251 PolarHBondContact N-O 3.44Å; K212-E251 IonicContact NZ-OE1 3.9Å; K212-E251 PolarHBondContact NZ-OE1 2.93Å; C249-E251 PolarHBondContact SG-O 3.02Å
252	G	86.8	Confident	90.5	Very high	30 Å²	30	22.3 Å²	22.3	31%	0.309	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75	-163.9	-179.5	0	0	0	0	0	113.7	K194 G195 N209 G210	K194-G252 WeakPolarHBondContact CA-O 3.49Å; G195-G252 PolarHBondContact N-O 2.96Å; N209-G252 WeakPolarHBondContact O-CA 3.22Å; G210-G252 WeakPolarHBondContact O-CA 3.41Å
253	T	92.7	Very high	90	Very high	59 Å²	59	24.8 Å²	24.8	36%	0.362	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.7	-179.5	140	0	0	0	0	109.8	V193 A208 N209	V193-T253 WeakPolarHBondContact O-CA 3.34Å; A208-T253 WeakPolarHBondContact CA-O 3.5Å; N209-T253 HydrophobicContact CB-CG2 4.49Å; N209-T253 PolarHBondContact N-O 3.34Å; N209-T253 PolarHBondContact O-N 2.88Å
254	A	95.6	Very high	89.7	Confident	1 Å²	1	30 Å²	30	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154	174.8	0	0	0	0	0	111.8	E192 V193 I205 S207 A208 C211	E192-A254 WeakPolarHBondContact CA-O 3.49Å; V193-A254 HydrophobicContact CG2-CB 3.97Å; V193-A254 PolarHBondContact N-O 2.91Å; V193-A254 PolarHBondContact O-N 3.15Å; I205-A254 HydrophobicContact CD1-CB 4.26Å; S207-A254 CarbonylContact O-C 3.53Å; S207-A254 WeakPolarHBondContact O-CA 3.28Å; A208-A254 HydrophobicContact CB-CB 4.05Å; C211-A254 HydrophobicContact CB-CB 3.88Å
255	R	96.1	Very high	89.6	Confident	82 Å²	82	29.9 Å²	29.9	31%	0.309	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.7	167.2	-59.5	-178.5	175.5	163.1	2.5	109.8	L190 V191 E192 I206 S207	L190-R255 HydrophobicContact CD1-CB 4.16Å; V191-R255 VanDerWaalsContact O-CA 3.26Å; V191-R255 WeakPolarHBondContact O-CA 3.3Å; E192-R255 HydrophobicContact CB-CG 4.21Å; E192-R255 HydrophobicContact CG-CG 4.06Å; E192-R255 IonicContact OE2-CZ 3.71Å; E192-R255 VanDerWaalsContact OE2-CZ 3.27Å; E192-R255 IonicContact OE2-NE 3.6Å; E192-R255 PolarHBondContact OE2-NE 2.92Å; E192-R255 IonicContact OE2-NH2 2.68Å; E192-R255 PolarHBondContact OE2-NH2 3.4Å; I206-R255 HydrophobicContact CG1-CB 4.37Å; I206-R255 PolarHBondContact N-O 2.84Å; S207-R255 PolarHBondContact N-O 3.23Å; S207-R255 PolarHBondContact O-N 3.39Å; S207-R255 WeakPolarHBondContact OG-CB 3.35Å
256	G	96.1	Very high	89.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157.2	177.8	0	0	0	0	0	112.9	V191 R204	V191-G256 PolarHBondContact N-O 2.76Å; V191-G256 PolarHBondContact O-N 3.43Å; R204-G256 CarbonylContact O-C 3.43Å; R204-G256 WeakPolarHBondContact O-CA 3.31Å
257	I	96.8	Very high	89.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.2	173.8	-64.2	171	0	0	0	108.9	L51 Y55 L59 D189 L203 R204 I206 V259	L51-I257 HydrophobicContact CD2-CB 4.4Å; L51-I257 HydrophobicContact CD2-CD1 3.73Å; L51-I257 HydrophobicContact CG-CD1 4.28Å; Y55-I257 HydrophobicContact CD2-CG2 4.3Å; L59-I257 HydrophobicContact CD2-CD1 3.46Å; L59-I257 VanDerWaalsContact CD2-CD1 3.46Å; D189-I257 CarbonylContact O-C 3.55Å; D189-I257 VanDerWaalsContact O-CA 3.31Å; D189-I257 WeakPolarHBondContact O-CA 3.33Å; L203-I257 CarbonylContact C-O 3.56Å; L203-I257 WeakPolarHBondContact CA-O 3.13Å; R204-I257 PolarHBondContact N-O 3.13Å; R204-I257 PolarHBondContact O-N 2.89Å; I206-I257 HydrophobicContact CG2-CD1 4.23Å; I206-I257 HydrophobicContact CG2-CG1 4.26Å; I257-V259 PolarHBondContact O-N 2.97Å
258	V	96.6	Very high	89.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.5	174.9	-178.1	0	0	0	0	110.3	V185 V186 G188 D189 V191 A201 L203 T261	V185-V258 HydrophobicContact CG1-CG2 3.7Å; V186-V258 WeakPolarHBondContact O-CB 3.22Å; G188-V258 PolarHBondContact N-O 2.92Å; D189-V258 HydrophobicContact CB-CG2 3.95Å; D189-V258 PolarHBondContact O-N 3.23Å; V191-V258 HydrophobicContact CG2-CG2 3.59Å; A201-V258 HydrophobicContact CB-CG1 3.75Å; A201-V258 HydrophobicContact CB-CG2 4.37Å; L203-V258 HydrophobicContact CD2-CB 4.22Å; L203-V258 HydrophobicContact CD2-CG2 3.55Å; V258-T261 HydrophobicContact CG1-CG2 3.52Å
259	V	95.3	Very high	89.3	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-46.2	177.7	-177.2	0	0	0	0	110.5	M41 D43 D202 R204 I257	M41-V259 HydrophobicContact CE-CG1 4.46Å; D43-V259 HydrophobicContact CB-CG1 3.8Å; D43-V259 HydrophobicContact CB-CG2 4.41Å; D202-V259 PolarHBondContact O-N 2.79Å; R204-V259 HydrophobicContact CB-CG2 3.55Å; I257-V259 PolarHBondContact O-N 2.97Å
260	Y	93.6	Very high	88.8	Confident	61 Å²	61	28.2 Å²	28.2	24%	0.239	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.9	178	-64.4	-37.7	0	0	0	112.3	M41 A201 D202 R264 T265	M41-Y260 HydrophobicContact CE-CD2 3.69Å; M41-Y260 HydrophobicContact CE-CE2 3.61Å; A201-Y260 WeakPolarHBondContact CB-O 3.34Å; D202-Y260 PolarHBondContact N-O 3.12Å; D202-Y260 VanDerWaalsContact N-O 3.17Å; D202-Y260 PolarHBondContact O-N 3.25Å; Y260-R264 HydrophobicContact CD1-CB 4.45Å; Y260-R264 WeakPolarHBondContact CD2-O 3.31Å; Y260-R264 HydrophobicContact CG-CB 4.48Å; Y260-T265 WeakPolarHBondContact O-CG2 3.41Å
261	T	92.3	Very high	88.5	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.127	C	C	.	.			trans	-129.1	151.8	177.6	59	0	0	0	0	111.5	N78 V187 A201 V258 R264	N78-T261 HydrophobicContact CB-CG2 4.25Å; N78-T261 WeakPolarHBondContact OD1-CA 3.5Å; N78-T261 WeakPolarHBondContact OD1-CB 3.45Å; V187-T261 HydrophobicContact CG2-CG2 3.86Å; A201-T261 HydrophobicContact CB-CG2 4.46Å; V258-T261 HydrophobicContact CG1-CG2 3.52Å; T261-R264 PolarHBondContact O-N 2.89Å; T261-R264 PolarHBondContact OG1-NH2 3.04Å; T261-R264 VanDerWaalsContact OG1-NH2 3.12Å
262	G	86.9	Confident	88.3	Confident	3 Å²	3	25.6 Å²	25.6	3%	0.031	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	56.3	-134.2	175.5	0	0	0	0	0	113.3	N78 A79 R264 T265	N78-G262 PolarHBondContact OD1-N 2.93Å; A79-G262 WeakPolarHBondContact O-CA 3.44Å; G262-R264 PolarHBondContact O-N 3.17Å; G262-R264 VanDerWaalsContact O-N 3.12Å; G262-T265 WeakPolarHBondContact O-CB 3.42Å; G262-T265 WeakPolarHBondContact O-CG2 3.09Å; G262-T265 PolarHBondContact O-N 3.45Å; G262-T265 VanDerWaalsContact O-N 3.14Å; G262-T265 PolarHBondContact O-OG1 2.85Å
263	D	83	Confident	88	Confident	53 Å²	53	24.3 Å²	24.3	28%	0.283	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-60.9	-20.3	-178.2	-61	-25.9	0	0	0	114.2	L80 T81 T265 G268 R269	L80-D263 WeakPolarHBondContact CA-OD1 3.41Å; T81-D263 VanDerWaalsContact CB-OD2 3.22Å; T81-D263 WeakPolarHBondContact CB-OD2 3.15Å; T81-D263 PolarHBondContact N-OD1 2.77Å; T81-D263 PolarHBondContact OG1-OD2 3.27Å; D263-T265 VanDerWaalsContact C-N 3.33Å; D263-G268 CarbonylContact O-C 3.56Å; D263-G268 VanDerWaalsContact O-C 3.23Å; D263-R269 PolarHBondContact O-N 2.96Å; D263-R269 VanDerWaalsContact O-N 3.14Å
264	R	88.2	Confident	87.2	Confident	110 Å²	110	21.8 Å²	21.8	42%	0.415	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-78.6	-17	179.7	-67.2	171.1	-70.3	-96.1	-2.4	113.3	D75 Y260 T261 G262	D75-R264 PolarHBondContact O-NH2 3.1Å; Y260-R264 HydrophobicContact CD1-CB 4.45Å; Y260-R264 WeakPolarHBondContact CD2-O 3.31Å; Y260-R264 HydrophobicContact CG-CB 4.48Å; T261-R264 PolarHBondContact O-N 2.89Å; T261-R264 PolarHBondContact OG1-NH2 3.04Å; T261-R264 VanDerWaalsContact OG1-NH2 3.12Å; G262-R264 PolarHBondContact O-N 3.17Å; G262-R264 VanDerWaalsContact O-N 3.12Å
265	T	88.5	Confident	86.2	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-61.3	159	174.8	60.9	0	0	0	0	110.6	D202 F245 Y260 G262 D263 M267 G268 R269	D202-T265 HydrophobicContact CB-CG2 4.43Å; D202-T265 WeakPolarHBondContact OD2-CA 3.4Å; D202-T265 WeakPolarHBondContact OD2-CB 3.49Å; F245-T265 HydrophobicContact CB-CG2 3.91Å; F245-T265 HydrophobicContact CG-CG2 4.35Å; Y260-T265 WeakPolarHBondContact O-CG2 3.41Å; G262-T265 WeakPolarHBondContact O-CB 3.42Å; G262-T265 WeakPolarHBondContact O-CG2 3.09Å; G262-T265 PolarHBondContact O-N 3.45Å; G262-T265 VanDerWaalsContact O-N 3.14Å; G262-T265 PolarHBondContact O-OG1 2.85Å; D263-T265 VanDerWaalsContact C-N 3.33Å; T265-M267 PolarHBondContact O-N 2.88Å; T265-G268 PolarHBondContact O-N 2.94Å; T265-G268 VanDerWaalsContact O-N 3.15Å; T265-G268 WeakPolarHBondContact OG1-CA 3.35Å; T265-G268 PolarHBondContact OG1-N 3.31Å; T265-R269 WeakPolarHBondContact O-CG 3.33Å; T265-R269 PolarHBondContact O-N 3.31Å
266	V	86.6	Confident	85	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.024	13%	0.128	C	C	.	.	H	α-helix	trans	-52.3	-46	175.5	175.1	0	0	0	0	110.7	V39 D202 L218 L237 F244 R269 I270	V39-V266 HydrophobicContact CG1-CG2 4.19Å; V39-V266 HydrophobicContact CG2-CG1 4.28Å; V39-V266 HydrophobicContact CG2-CG2 4.39Å; D202-V266 PolarHBondContact OD2-N 2.96Å; L218-V266 HydrophobicContact CD2-CB 4.33Å; L218-V266 HydrophobicContact CD2-CG1 3.69Å; L237-V266 HydrophobicContact CD2-CG1 4.05Å; L237-V266 HydrophobicContact CD2-CG2 4.46Å; F244-V266 HydrophobicContact CD1-CB 4.21Å; F244-V266 HydrophobicContact CD1-CG2 3.8Å; F244-V266 HydrophobicContact CE1-CG2 3.82Å; V266-R269 PolarHBondContact O-N 2.85Å; V266-I270 HydrophobicContact CG1-CD1 4.14Å; V266-I270 WeakPolarHBondContact O-CG1 3.28Å; V266-I270 PolarHBondContact O-N 2.87Å; V266-I270 VanDerWaalsContact O-N 3.16Å
267	M	81.7	Confident	84.2	Confident	8 Å²	8	23.9 Å²	23.9	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-72	-36.4	-179.9	-73.7	-65	-67.4	0	0	113.1	L218 F245 S246 T265 R269 I270 A271 V719	L218-M267 HydrophobicContact CD1-CE 4.47Å; L218-M267 HydrophobicContact CD1-CG 3.53Å; L218-M267 HydrophobicContact CD1-SD 3.34Å; L218-M267 WeakPolarHBondContact CD1-SD 3.29Å; L218-M267 HydrophobicContact CG-CG 4.08Å; L218-M267 HydrophobicContact CG-SD 3.57Å; L218-M267 VanDerWaalsContact CG-SD 3.57Å; F245-M267 HydrophobicContact CD1-CB 3.85Å; F245-M267 WeakPolarHBondContact O-CG 3.46Å; S246-M267 VanDerWaalsContact OG-CE 3.27Å; S246-M267 WeakPolarHBondContact OG-CE 3.39Å; T265-M267 PolarHBondContact O-N 2.88Å; M267-R269 VanDerWaalsContact C-N 3.34Å; M267-I270 PolarHBondContact O-N 2.99Å; M267-I270 HydrophobicContact SD-CD1 4.09Å; M267-A271 WeakPolarHBondContact O-CB 3.42Å; M267-A271 PolarHBondContact O-N 3.41Å; M267-V719 HydrophobicContact CE-CB 3.36Å; M267-V719 HydrophobicContact CE-CG1 3.24Å; M267-V719 HydrophobicContact CE-CG2 3.58Å; M267-V719 HydrophobicContact SD-CB 4.34Å; M267-V719 HydrophobicContact SD-CG1 4.21Å
268	G	80.6	Confident	83.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-40.6	172.7	0	0	0	0	0	112.6	L80 D263 T265 A271 T272	L80-G268 VanDerWaalsContact CD2-CA 3.44Å; D263-G268 CarbonylContact O-C 3.56Å; D263-G268 VanDerWaalsContact O-C 3.23Å; T265-G268 PolarHBondContact O-N 2.94Å; T265-G268 VanDerWaalsContact O-N 3.15Å; T265-G268 WeakPolarHBondContact OG1-CA 3.35Å; T265-G268 PolarHBondContact OG1-N 3.31Å; G268-A271 PolarHBondContact O-N 2.95Å; G268-T272 WeakPolarHBondContact O-CB 3.36Å; G268-T272 PolarHBondContact O-N 2.79Å; G268-T272 PolarHBondContact O-OG1 3.12Å
269	R	83.1	Confident	81.7	Confident	52 Å²	52	33.7 Å²	33.7	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-42.5	173.3	-71.7	178.8	60.3	177.8	-4.5	112.2	L35 K37 D263 T265 V266 M267 T272 L273	L35-R269 HydrophobicContact CD2-CB 4.41Å; L35-R269 HydrophobicContact CD2-CG 4.42Å; K37-R269 PolarHBondContact O-NH2 2.86Å; D263-R269 PolarHBondContact O-N 2.96Å; D263-R269 VanDerWaalsContact O-N 3.14Å; T265-R269 WeakPolarHBondContact O-CG 3.33Å; T265-R269 PolarHBondContact O-N 3.31Å; V266-R269 PolarHBondContact O-N 2.85Å; M267-R269 VanDerWaalsContact C-N 3.34Å; R269-T272 PolarHBondContact O-N 3.46Å; R269-L273 WeakPolarHBondContact O-CB 3.28Å; R269-L273 PolarHBondContact O-N 2.95Å
270	I	79	Confident	80.9	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-45	176.6	-66.6	162.5	0	0	0	110.6	V266 M267 T272 L273 A274 P695 V719 P723	V266-I270 HydrophobicContact CG1-CD1 4.14Å; V266-I270 WeakPolarHBondContact O-CG1 3.28Å; V266-I270 PolarHBondContact O-N 2.87Å; V266-I270 VanDerWaalsContact O-N 3.16Å; M267-I270 PolarHBondContact O-N 2.99Å; M267-I270 HydrophobicContact SD-CD1 4.09Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 3.44Å; I270-L273 PolarHBondContact O-N 3.38Å; I270-A274 WeakPolarHBondContact O-CB 3.2Å; I270-A274 PolarHBondContact O-N 3.29Å; I270-P695 HydrophobicContact CD1-CB 4.21Å; I270-P695 HydrophobicContact CD1-CG 3.79Å; I270-P695 HydrophobicContact CG1-CB 4.37Å; I270-P695 HydrophobicContact CG1-CG 4.46Å; I270-V719 HydrophobicContact CG2-CG1 4.32Å; I270-P723 HydrophobicContact CG2-CG 3.88Å
271	A	76.6	Confident	80.4	Confident	14 Å²	14	38.7 Å²	38.7	12%	0.116	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-38.9	177.3	0	0	0	0	0	112.2	L80 M267 G268 S275	L80-A271 HydrophobicContact CD1-CB 4.05Å; M267-A271 WeakPolarHBondContact O-CB 3.42Å; M267-A271 PolarHBondContact O-N 3.41Å; G268-A271 PolarHBondContact O-N 2.95Å; A271-S275 WeakPolarHBondContact O-CB 3.22Å; A271-S275 PolarHBondContact O-N 2.93Å; A271-S275 PolarHBondContact O-OG 3Å
272	T	77.6	Confident	80.4	Confident	54 Å²	54	39.4 Å²	39.4	33%	0.331	24%	0.235	S	C	.	.	H	α-helix	trans	-66.5	-44.6	175.3	-57.3	0	0	0	0	111.2	L35 G268 R269 I270 S275 G276	L35-T272 HydrophobicContact CD1-CG2 4.21Å; G268-T272 WeakPolarHBondContact O-CB 3.36Å; G268-T272 PolarHBondContact O-N 2.79Å; G268-T272 PolarHBondContact O-OG1 3.12Å; R269-T272 PolarHBondContact O-N 3.46Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 3.44Å; T272-S275 PolarHBondContact O-N 2.79Å; T272-G276 PolarHBondContact O-N 3.46Å
273	L	80.9	Confident	80.6	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-50.3	174.6	177.6	66.9	0	0	0	110.7	M32 L35 K36 R269 I270 S275 G276 L277 Q696 L699 P723	M32-L273 HydrophobicContact CE-CD1 3.87Å; L35-L273 HydrophobicContact CB-CB 4.49Å; L35-L273 HydrophobicContact CB-CD1 4.02Å; K36-L273 HydrophobicContact CG-CD1 4.1Å; R269-L273 WeakPolarHBondContact O-CB 3.28Å; R269-L273 PolarHBondContact O-N 2.95Å; I270-L273 PolarHBondContact O-N 3.38Å; L273-S275 VanDerWaalsContact C-N 3.31Å; L273-S275 PolarHBondContact O-N 2.98Å; L273-G276 PolarHBondContact O-N 2.97Å; L273-L277 HydrophobicContact CD1-CD1 4.38Å; L273-L277 HydrophobicContact CD1-CG 4.37Å; L273-L277 HydrophobicContact CG-CD1 4.17Å; L273-L277 VanDerWaalsContact O-CG 3.22Å; L273-L277 WeakPolarHBondContact O-CG 3.41Å; L273-L277 PolarHBondContact O-N 3.19Å; L273-L277 VanDerWaalsContact O-N 3.08Å; L273-Q696 HydrophobicContact CD2-CG 4.45Å; L273-L699 HydrophobicContact CD2-CD2 4.22Å; L273-P723 HydrophobicContact CD2-CB 4.09Å; L273-P723 HydrophobicContact CD2-CG 4.14Å; L273-P723 HydrophobicContact CG-CB 4.43Å
274	A	75.9	Confident	81	Confident	6 Å²	6	37.2 Å²	37.2	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-42.3	177.8	0	0	0	0	0	111.6	I270 P723 K726	I270-A274 WeakPolarHBondContact O-CB 3.2Å; I270-A274 PolarHBondContact O-N 3.29Å; A274-P723 HydrophobicContact CB-CG 4.48Å; A274-K726 WeakPolarHBondContact O-CG 3.39Å
275	S	73.8	Confident	81	Confident	70 Å²	70	32.8 Å²	32.8	49%	0.49	21%	0.21	S	C	.	.	H	α-helix	trans	-72.8	-29.1	179.5	-58.5	0	0	0	0	113.5	A271 T272 L273	A271-S275 WeakPolarHBondContact O-CB 3.22Å; A271-S275 PolarHBondContact O-N 2.93Å; A271-S275 PolarHBondContact O-OG 3Å; T272-S275 PolarHBondContact O-N 2.79Å; L273-S275 VanDerWaalsContact C-N 3.31Å; L273-S275 PolarHBondContact O-N 2.98Å
276	G	72.3	Confident	81.1	Confident	41 Å²	41	34.5 Å²	34.5	42%	0.423	23%	0.225	S	C	.	.	H	α-helix	trans	-83.7	-13.7	-179.7	0	0	0	0	0	114.6	T272 L273	T272-G276 PolarHBondContact O-N 3.46Å; L273-G276 PolarHBondContact O-N 2.97Å
277	L	78.8	Confident	81.4	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.084	22%	0.224	C	C	.	.	S	Bend	trans	-76.3	130.5	177.1	-75.9	165.1	0	0	0	111.4	M32 L273 L699 P723 K726	M32-L277 HydrophobicContact CE-CD2 4.13Å; M32-L277 HydrophobicContact CE-CG 4.18Å; L273-L277 HydrophobicContact CD1-CD1 4.38Å; L273-L277 HydrophobicContact CD1-CG 4.37Å; L273-L277 HydrophobicContact CG-CD1 4.17Å; L273-L277 VanDerWaalsContact O-CG 3.22Å; L273-L277 WeakPolarHBondContact O-CG 3.41Å; L273-L277 PolarHBondContact O-N 3.19Å; L273-L277 VanDerWaalsContact O-N 3.08Å; L277-L699 HydrophobicContact CD1-CD1 4Å; L277-L699 HydrophobicContact CD1-CD2 3.91Å; L277-L699 HydrophobicContact CD2-CD2 4.37Å; L277-P723 HydrophobicContact CD1-CB 4.1Å; L277-K726 HydrophobicContact CB-CG 4.13Å
278	E	76.2	Confident	81.8	Confident	170 Å²	170	35.6 Å²	35.6	79%	0.794	23%	0.23	S	C	*	.			trans	-82	128.5	171.2	-64.4	-172.8	175.3	0	0	110.2	G280	E278-G280 PolarHBondContact O-N 3.35Å; E278-G280 VanDerWaalsContact O-N 3.14Å
279	G	65.9	Low	82.1	Confident	37 Å²	37	39.7 Å²	39.7	38%	0.381	25%	0.249	S	C	.	.			trans	-76.4	13.4	-177.2	0	0	0	0	0	115.7
280	G	76.4	Confident	82.5	Confident	65 Å²	65	40.3 Å²	40.3	67%	0.67	25%	0.254	S	S	*	.			trans	61.4	-171.5	-179.7	0	0	0	0	0	114.4	E278	E278-G280 PolarHBondContact O-N 3.35Å; E278-G280 VanDerWaalsContact O-N 3.14Å
281	Q	84.9	Confident	83	Confident	103 Å²	103	40.5 Å²	40.5	48%	0.481	26%	0.255	S	S	.	.			trans	-96.5	132	173.1	-174.5	177.5	15.4	0	0	108.7	A285 A286 E289	Q281-A285 HydrophobicContact CG-CB 3.88Å; Q281-A286 HydrophobicContact CG-CB 4.27Å; Q281-E289 PolarHBondContact NE2-OE2 2.9Å
282	T	90.6	Very high	83.6	Confident	16 Å²	16	40.9 Å²	40.9	10%	0.098	25%	0.254	C	S	.	.			trans	-67.1	154.6	178.3	67.4	0	0	0	0	111	I284 A285 A286 E362	T282-I284 VanDerWaalsContact C-N 3.32Å; T282-I284 PolarHBondContact O-N 3.12Å; T282-A285 PolarHBondContact O-N 3.33Å; T282-A285 WeakPolarHBondContact OG1-CB 3.41Å; T282-A285 PolarHBondContact OG1-N 2.9Å; T282-A286 PolarHBondContact O-N 3.09Å; T282-E362 HydrophobicContact CG2-CB 3.95Å; T282-E362 VanDerWaalsContact CG2-OE2 3.3Å; T282-E362 WeakPolarHBondContact CG2-OE2 3.25Å; T282-E362 PolarHBondContact OG1-OE2 2.87Å
283	P	92.5	Very high	84.2	Confident	10 Å²	10	43.8 Å²	43.8	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-56.2	-44.4	177.4	-26.8	35.8	0	0	0	112.6	A286 E287 T366 I711	P283-A286 PolarHBondContact O-N 2.93Å; P283-E287 VanDerWaalsContact O-CG 3.29Å; P283-E287 WeakPolarHBondContact O-CG 3.48Å; P283-E287 PolarHBondContact O-N 3.34Å; P283-T366 HydrophobicContact CG-CG2 4.01Å; P283-I711 HydrophobicContact CG-CD1 3.96Å; P283-I711 HydrophobicContact CG-CG1 4.32Å; P283-I711 HydrophobicContact CG-CG2 4Å
284	I	91.6	Very high	84.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-38.4	178.9	-170.8	59.8	0	0	0	112.8	T282 A286 E287 I288 E362 E365 L772 L844	T282-I284 VanDerWaalsContact C-N 3.32Å; T282-I284 PolarHBondContact O-N 3.12Å; I284-A286 VanDerWaalsContact C-N 3.32Å; I284-A286 PolarHBondContact O-N 3.44Å; I284-E287 PolarHBondContact O-N 3.43Å; I284-I288 HydrophobicContact CG1-CD1 4.15Å; I284-I288 WeakPolarHBondContact O-CG1 3.48Å; I284-I288 PolarHBondContact O-N 2.95Å; I284-E362 HydrophobicContact CG2-CB 3.48Å; I284-E362 VanDerWaalsContact CG2-CB 3.48Å; I284-E362 HydrophobicContact CG2-CG 3.79Å; I284-E365 HydrophobicContact CB-CB 4.13Å; I284-E365 HydrophobicContact CB-CG 4.18Å; I284-E365 HydrophobicContact CD1-CG 4.28Å; I284-E365 HydrophobicContact CG1-CB 4.46Å; I284-E365 HydrophobicContact CG1-CG 4.47Å; I284-E365 HydrophobicContact CG2-CB 4.47Å; I284-E365 PolarHBondContact N-OE2 2.82Å; I284-L772 HydrophobicContact CD1-CD1 4.05Å; I284-L844 HydrophobicContact CD1-CD2 3.94Å
285	A	87.8	Confident	85.3	Confident	18 Å²	18	46 Å²	46	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-40.6	175.3	0	0	0	0	0	111.5	Q281 T282 E287 I288 E289	Q281-A285 HydrophobicContact CG-CB 3.88Å; T282-A285 PolarHBondContact O-N 3.33Å; T282-A285 WeakPolarHBondContact OG1-CB 3.41Å; T282-A285 PolarHBondContact OG1-N 2.9Å; A285-E287 VanDerWaalsContact C-N 3.32Å; A285-E287 PolarHBondContact O-N 3.35Å; A285-I288 PolarHBondContact O-N 3.47Å; A285-E289 PolarHBondContact O-N 3.22Å
286	A	90.9	Very high	86	Confident	36 Å²	36	44.1 Å²	44.1	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-36	175.3	0	0	0	0	0	112.3	Q281 T282 P283 I284 H290	Q281-A286 HydrophobicContact CG-CB 4.27Å; T282-A286 PolarHBondContact O-N 3.09Å; P283-A286 PolarHBondContact O-N 2.93Å; I284-A286 VanDerWaalsContact C-N 3.32Å; I284-A286 PolarHBondContact O-N 3.44Å; A286-H290 WeakPolarHBondContact O-CB 3.38Å; A286-H290 PolarHBondContact O-N 3.12Å
287	E	92.9	Very high	86.9	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-39.6	173.8	-68.9	-59.2	152.3	0	0	112.5	P283 I284 A285 H290 F291 F769 R837 K843 L844	P283-E287 VanDerWaalsContact O-CG 3.29Å; P283-E287 WeakPolarHBondContact O-CG 3.48Å; P283-E287 PolarHBondContact O-N 3.34Å; I284-E287 PolarHBondContact O-N 3.43Å; A285-E287 VanDerWaalsContact C-N 3.32Å; A285-E287 PolarHBondContact O-N 3.35Å; E287-H290 PolarHBondContact O-N 3.31Å; E287-F291 WeakPolarHBondContact O-CB 3.46Å; E287-F291 PolarHBondContact O-N 3.01Å; E287-F769 HydrophobicContact CG-CE2 4.43Å; E287-R837 IonicContact OE1-CZ 3.25Å; E287-R837 IonicContact OE1-NH1 3.4Å; E287-R837 PolarHBondContact OE1-NH1 2.86Å; E287-K843 WeakPolarHBondContact OE1-CD 3.28Å; E287-K843 IonicContact OE1-NZ 3.88Å; E287-K843 VanDerWaalsContact OE2-CA 3.28Å; E287-K843 WeakPolarHBondContact OE2-CA 3.44Å; E287-K843 WeakPolarHBondContact OE2-CD 3.31Å; E287-L844 HydrophobicContact CB-CB 3.73Å; E287-L844 HydrophobicContact CB-CD2 4.14Å; E287-L844 HydrophobicContact CG-CB 4.08Å; E287-L844 PolarHBondContact OE2-N 3.44Å
288	I	88.5	Confident	87.5	Confident	32 Å²	32	45.5 Å²	45.5	16%	0.164	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-43.1	174.7	-70.4	168	0	0	0	110.4	I284 A285 F291 I292 V340	I284-I288 HydrophobicContact CG1-CD1 4.15Å; I284-I288 WeakPolarHBondContact O-CG1 3.48Å; I284-I288 PolarHBondContact O-N 2.95Å; A285-I288 PolarHBondContact O-N 3.47Å; I288-F291 WeakPolarHBondContact O-CB 3.21Å; I288-F291 PolarHBondContact O-N 2.91Å; I288-I292 HydrophobicContact CG2-CD1 3.65Å; I288-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 WeakPolarHBondContact O-CD1 3.46Å; I288-I292 VanDerWaalsContact O-CG1 3.23Å; I288-I292 WeakPolarHBondContact O-CG1 3.45Å; I288-I292 PolarHBondContact O-N 3.18Å; I288-V340 HydrophobicContact CD1-CG1 4.16Å
289	E	88	Confident	88.1	Confident	85 Å²	85	37.4 Å²	37.4	40%	0.397	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-46.7	176.6	-175.7	-179.3	170.9	0	0	112.1	Q281 A285 F291 I292 H293	Q281-E289 PolarHBondContact NE2-OE2 2.9Å; A285-E289 PolarHBondContact O-N 3.22Å; E289-F291 VanDerWaalsContact C-N 3.28Å; E289-F291 PolarHBondContact O-N 3.31Å; E289-I292 PolarHBondContact O-N 3.36Å; E289-H293 PolarHBondContact O-N 3.23Å; E289-H293 PolarHBondContact O-ND1 3.47Å; E289-H293 IonicContact OE1-CE1 2.76Å; E289-H293 PolarHBondContact OE1-CE1 3.29Å
290	H	91.8	Very high	89.2	Confident	65 Å²	65	39.1 Å²	39.1	30%	0.301	23%	0.234	S	C	.	.	H	α-helix	trans	-57.3	-43.9	175.1	174.1	-98.3	0	0	0	111.8	A286 E287 H293 I294 V845	A286-H290 WeakPolarHBondContact O-CB 3.38Å; A286-H290 PolarHBondContact O-N 3.12Å; E287-H290 PolarHBondContact O-N 3.31Å; H290-H293 PolarHBondContact O-N 3.11Å; H290-I294 WeakPolarHBondContact CE1-CD1 3.27Å; H290-I294 PolarHBondContact O-N 3.08Å; H290-V845 PolarHBondContact CE1-O 3.35Å
291	F	89.5	Confident	90	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-48.8	175.2	160.1	-120.8	0	0	0	112.4	F100 E287 I288 E289 H293 I294 I295 P333 L336 I776 L780 V845	F100-F291 HydrophobicContact CE2-CD1 4.13Å; F100-F291 AromaticContact CE2-CE1 3.49Å; F100-F291 HydrophobicContact CE2-CE1 3.49Å; F100-F291 VanDerWaalsContact CE2-CE1 3.49Å; F100-F291 HydrophobicContact CE2-CZ 4.17Å; F100-F291 HydrophobicContact CZ-CD1 4.12Å; F100-F291 AromaticContact CZ-CE1 3.44Å; F100-F291 HydrophobicContact CZ-CE1 3.44Å; F100-F291 VanDerWaalsContact CZ-CE1 3.44Å; F100-F291 AromaticContact CZ-CZ 3.71Å; F100-F291 HydrophobicContact CZ-CZ 3.71Å; E287-F291 WeakPolarHBondContact O-CB 3.46Å; E287-F291 PolarHBondContact O-N 3.01Å; I288-F291 WeakPolarHBondContact O-CB 3.21Å; I288-F291 PolarHBondContact O-N 2.91Å; E289-F291 VanDerWaalsContact C-N 3.28Å; E289-F291 PolarHBondContact O-N 3.31Å; F291-H293 VanDerWaalsContact C-N 3.26Å; F291-H293 PolarHBondContact O-N 3.31Å; F291-I294 PolarHBondContact O-N 2.61Å; F291-I294 VanDerWaalsContact O-N 3.14Å; F291-I295 HydrophobicContact CD2-CD1 4.48Å; F291-I295 HydrophobicContact CD2-CG1 3.75Å; F291-I295 HydrophobicContact CE2-CB 4.46Å; F291-I295 HydrophobicContact CE2-CD1 3.8Å; F291-I295 HydrophobicContact CE2-CG1 3.16Å; F291-I295 HydrophobicContact CZ-CG1 3.78Å; F291-I295 PolarHBondContact O-N 3.16Å; F291-I295 VanDerWaalsContact O-N 3.1Å; F291-P333 HydrophobicContact CZ-CG 4.41Å; F291-L336 HydrophobicContact CE1-CD2 3.42Å; F291-L336 VanDerWaalsContact CE1-CD2 3.42Å; F291-L336 HydrophobicContact CE1-CG 4.47Å; F291-L336 HydrophobicContact CE2-CD2 4.35Å; F291-L336 HydrophobicContact CZ-CD2 3.22Å; F291-I776 HydrophobicContact CE2-CG2 4.28Å; F291-I776 HydrophobicContact CZ-CG2 4.44Å; F291-L780 HydrophobicContact CE2-CD1 3.87Å; F291-L780 HydrophobicContact CE2-CD2 4.15Å; F291-L780 HydrophobicContact CE2-CG 4.47Å; F291-L780 HydrophobicContact CZ-CD2 4.27Å; F291-V845 HydrophobicContact CB-CB 4.16Å; F291-V845 HydrophobicContact CB-CG2 3.95Å; F291-V845 HydrophobicContact CD2-CB 3.94Å; F291-V845 HydrophobicContact CD2-CG1 4.01Å; F291-V845 HydrophobicContact CD2-CG2 3.52Å; F291-V845 HydrophobicContact CE2-CG2 4.24Å; F291-V845 HydrophobicContact CG-CB 4.41Å; F291-V845 HydrophobicContact CG-CG2 3.87Å
292	I	88.3	Confident	90.4	Very high	22 Å²	22	39.4 Å²	39.4	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-42	177.8	-71	159.6	0	0	0	110.7	F100 I288 E289 I294 I295 T296	F100-I292 HydrophobicContact CD2-CD1 4.3Å; F100-I292 HydrophobicContact CD2-CG1 3.82Å; F100-I292 HydrophobicContact CE1-CG1 4.21Å; F100-I292 HydrophobicContact CE2-CD1 4.25Å; F100-I292 HydrophobicContact CE2-CG1 3.41Å; F100-I292 VanDerWaalsContact CE2-CG1 3.41Å; F100-I292 HydrophobicContact CG-CG1 4.37Å; F100-I292 HydrophobicContact CZ-CB 4.32Å; F100-I292 HydrophobicContact CZ-CG1 3.63Å; I288-I292 HydrophobicContact CG2-CD1 3.65Å; I288-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 WeakPolarHBondContact O-CD1 3.46Å; I288-I292 VanDerWaalsContact O-CG1 3.23Å; I288-I292 WeakPolarHBondContact O-CG1 3.45Å; I288-I292 PolarHBondContact O-N 3.18Å; E289-I292 PolarHBondContact O-N 3.36Å; I292-I294 PolarHBondContact O-N 3.27Å; I292-I295 PolarHBondContact O-N 3.35Å; I292-T296 WeakPolarHBondContact O-CB 3.48Å; I292-T296 PolarHBondContact O-N 2.82Å; I292-T296 PolarHBondContact O-OG1 3.41Å
293	H	89.9	Confident	90.3	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.537	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-41.1	178	-70.6	147.8	0	0	0	112.9	E289 H290 F291 G297	E289-H293 PolarHBondContact O-N 3.23Å; E289-H293 PolarHBondContact O-ND1 3.47Å; E289-H293 IonicContact OE1-CE1 2.76Å; E289-H293 PolarHBondContact OE1-CE1 3.29Å; H290-H293 PolarHBondContact O-N 3.11Å; F291-H293 VanDerWaalsContact C-N 3.26Å; F291-H293 PolarHBondContact O-N 3.31Å; H293-G297 PolarHBondContact O-N 3.43Å
294	I	91.3	Very high	90.3	Very high	51 Å²	51	41.4 Å²	41.4	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-52.1	177.5	-68.3	172.6	0	0	0	110.5	H290 F291 I292 T296 G297 V298 I850	H290-I294 WeakPolarHBondContact CE1-CD1 3.27Å; H290-I294 PolarHBondContact O-N 3.08Å; F291-I294 PolarHBondContact O-N 2.61Å; F291-I294 VanDerWaalsContact O-N 3.14Å; I292-I294 PolarHBondContact O-N 3.27Å; I294-T296 PolarHBondContact O-N 3.19Å; I294-G297 PolarHBondContact O-N 2.95Å; I294-V298 PolarHBondContact O-N 3.12Å; I294-I850 HydrophobicContact CG2-CG1 4.4Å
295	I	89.6	Confident	90.4	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-44.1	-177.8	-62.8	-56.7	0	0	0	111	F100 F291 I292 G297 V298 A299 N331 L780 I850	F100-I295 HydrophobicContact CE1-CB 4.21Å; F100-I295 HydrophobicContact CE1-CG2 4.02Å; F100-I295 HydrophobicContact CZ-CB 4.47Å; F291-I295 HydrophobicContact CD2-CD1 4.48Å; F291-I295 HydrophobicContact CD2-CG1 3.75Å; F291-I295 HydrophobicContact CE2-CB 4.46Å; F291-I295 HydrophobicContact CE2-CD1 3.8Å; F291-I295 HydrophobicContact CE2-CG1 3.16Å; F291-I295 HydrophobicContact CZ-CG1 3.78Å; F291-I295 PolarHBondContact O-N 3.16Å; F291-I295 VanDerWaalsContact O-N 3.1Å; I292-I295 PolarHBondContact O-N 3.35Å; I295-G297 VanDerWaalsContact C-N 3.28Å; I295-G297 PolarHBondContact O-N 3.43Å; I295-V298 PolarHBondContact O-N 2.97Å; I295-A299 VanDerWaalsContact O-CB 3.29Å; I295-A299 WeakPolarHBondContact O-CB 3.44Å; I295-A299 PolarHBondContact O-N 2.67Å; I295-N331 WeakPolarHBondContact CG2-O 3.3Å; I295-L780 HydrophobicContact CD1-CD1 4.24Å; I295-L780 HydrophobicContact CD1-CD2 3.75Å; I295-L780 HydrophobicContact CG1-CD2 4.35Å; I295-I850 HydrophobicContact CD1-CD1 4.29Å
296	T	88.4	Confident	90.6	Very high	31 Å²	31	44.3 Å²	44.3	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-41.8	175.2	-58.4	0	0	0	0	111.1	L103 I292 I294 A299 V300	L103-T296 HydrophobicContact CD1-CG2 3.81Å; L103-T296 HydrophobicContact CD2-CG2 4.19Å; I292-T296 WeakPolarHBondContact O-CB 3.48Å; I292-T296 PolarHBondContact O-N 2.82Å; I292-T296 PolarHBondContact O-OG1 3.41Å; I294-T296 PolarHBondContact O-N 3.19Å; T296-A299 PolarHBondContact O-N 3.02Å; T296-V300 HydrophobicContact CG2-CG2 4.21Å; T296-V300 WeakPolarHBondContact O-CB 3.28Å; T296-V300 VanDerWaalsContact O-CG2 3.3Å; T296-V300 WeakPolarHBondContact O-CG2 3.32Å; T296-V300 PolarHBondContact O-N 3.44Å
297	G	90.7	Very high	90.7	Very high	42 Å²	42	44.3 Å²	44.3	43%	0.433	24%	0.238	S	C	.	.	H	α-helix	trans	-58.9	-46.8	176.3	0	0	0	0	0	112.5	H293 I294 I295 F301	H293-G297 PolarHBondContact O-N 3.43Å; I294-G297 PolarHBondContact O-N 2.95Å; I295-G297 VanDerWaalsContact C-N 3.28Å; I295-G297 PolarHBondContact O-N 3.43Å; G297-F301 WeakPolarHBondContact O-CB 3.36Å; G297-F301 PolarHBondContact O-N 3.47Å
298	V	90.9	Very high	90.7	Very high	44 Å²	44	48.5 Å²	48.5	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-44.9	177.2	175.5	0	0	0	0	111.5	I294 I295 V300 F301 L302 Y854	I294-V298 PolarHBondContact O-N 3.12Å; I295-V298 PolarHBondContact O-N 2.97Å; V298-V300 PolarHBondContact O-N 3.07Å; V298-F301 PolarHBondContact O-N 3.42Å; V298-L302 HydrophobicContact CG1-CD1 3.83Å; V298-L302 HydrophobicContact CG1-CG 4.31Å; V298-L302 WeakPolarHBondContact O-CB 3.2Å; V298-L302 WeakPolarHBondContact O-CG 3.48Å; V298-L302 PolarHBondContact O-N 3.03Å; V298-Y854 HydrophobicContact CG1-CE2 4.19Å
299	A	88.8	Confident	90.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-48.7	179.5	0	0	0	0	0	112	I295 T296 G303 N331	I295-A299 VanDerWaalsContact O-CB 3.29Å; I295-A299 WeakPolarHBondContact O-CB 3.44Å; I295-A299 PolarHBondContact O-N 2.67Å; T296-A299 PolarHBondContact O-N 3.02Å; A299-G303 PolarHBondContact O-N 2.89Å; A299-N331 HydrophobicContact CB-CB 3.5Å
300	V	89.7	Confident	91.1	Very high	73 Å²	73	45.8 Å²	45.8	44%	0.442	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-40.5	178.4	173.8	0	0	0	0	110.9	T296 V298 G303 V304	T296-V300 HydrophobicContact CG2-CG2 4.21Å; T296-V300 WeakPolarHBondContact O-CB 3.28Å; T296-V300 VanDerWaalsContact O-CG2 3.3Å; T296-V300 WeakPolarHBondContact O-CG2 3.32Å; T296-V300 PolarHBondContact O-N 3.44Å; V298-V300 PolarHBondContact O-N 3.07Å; V300-G303 PolarHBondContact O-N 3.48Å; V300-V304 HydrophobicContact CG1-CG2 4.09Å; V300-V304 WeakPolarHBondContact O-CB 3.36Å; V300-V304 WeakPolarHBondContact O-CG2 3.47Å; V300-V304 PolarHBondContact O-N 3.28Å
301	F	93.8	Very high	91.1	Very high	138 Å²	138	45.2 Å²	45.2	61%	0.605	25%	0.247	S	C	*	.	H	α-helix	trans	-59.9	-51.3	177.4	171.7	-103.7	0	0	0	111.7	G297 V298 S305	G297-F301 WeakPolarHBondContact O-CB 3.36Å; G297-F301 PolarHBondContact O-N 3.47Å; V298-F301 PolarHBondContact O-N 3.42Å; F301-S305 WeakPolarHBondContact O-CB 3.33Å; F301-S305 PolarHBondContact O-N 2.97Å; F301-S305 PolarHBondContact O-OG 2.84Å
302	L	92.2	Very high	91.4	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-46.4	178	-69.7	176	0	0	0	111.1	V298 V304 S305 F306 I327	V298-L302 HydrophobicContact CG1-CD1 3.83Å; V298-L302 HydrophobicContact CG1-CG 4.31Å; V298-L302 WeakPolarHBondContact O-CB 3.2Å; V298-L302 WeakPolarHBondContact O-CG 3.48Å; V298-L302 PolarHBondContact O-N 3.03Å; L302-V304 PolarHBondContact O-N 3.06Å; L302-S305 PolarHBondContact O-N 3.01Å; L302-F306 HydrophobicContact CD2-CE2 4.39Å; L302-F306 WeakPolarHBondContact O-CB 3.27Å; L302-F306 WeakPolarHBondContact O-CD2 3.34Å; L302-F306 PolarHBondContact O-N 3.33Å; L302-I327 HydrophobicContact CB-CG2 4.1Å
303	G	90.2	Very high	91.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.9	-52.6	179.6	0	0	0	0	0	112.8	A299 V300 F307 L324	A299-G303 PolarHBondContact O-N 2.89Å; V300-G303 PolarHBondContact O-N 3.48Å; G303-F307 WeakPolarHBondContact O-CB 3.38Å; G303-F307 PolarHBondContact O-N 3.18Å; G303-L324 WeakPolarHBondContact O-CD1 3.31Å
304	V	91.3	Very high	91.3	Very high	69 Å²	69	56.6 Å²	56.6	42%	0.418	30%	0.304	S	S	.	.	H	α-helix	trans	-69.3	-39.7	-179.4	175.6	0	0	0	0	111.7	V300 L302 F306 F307 I308	V300-V304 HydrophobicContact CG1-CG2 4.09Å; V300-V304 WeakPolarHBondContact O-CB 3.36Å; V300-V304 WeakPolarHBondContact O-CG2 3.47Å; V300-V304 PolarHBondContact O-N 3.28Å; L302-V304 PolarHBondContact O-N 3.06Å; V304-F306 PolarHBondContact O-N 3.04Å; V304-F307 WeakPolarHBondContact O-CB 3.12Å; V304-F307 PolarHBondContact O-N 2.91Å; V304-I308 HydrophobicContact CG1-CD1 3.92Å; V304-I308 HydrophobicContact CG1-CG1 4.48Å; V304-I308 WeakPolarHBondContact O-CG1 3.25Å; V304-I308 PolarHBondContact O-N 3.2Å
305	S	94	Very high	91.1	Very high	47 Å²	47	55.3 Å²	55.3	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-45	179.3	-60.2	0	0	0	0	111.5	F301 L302 I308 L309	F301-S305 WeakPolarHBondContact O-CB 3.33Å; F301-S305 PolarHBondContact O-N 2.97Å; F301-S305 PolarHBondContact O-OG 2.84Å; L302-S305 PolarHBondContact O-N 3.01Å; S305-I308 PolarHBondContact O-N 3.29Å; S305-L309 WeakPolarHBondContact O-CB 3.19Å; S305-L309 PolarHBondContact O-N 2.72Å
306	F	92.6	Very high	91.1	Very high	32 Å²	32	58.9 Å²	58.9	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-76.3	-27.3	178.1	-84.1	-99.5	0	0	0	113.2	L302 V304 L309 S310 I327 L791 I794 I795	L302-F306 HydrophobicContact CD2-CE2 4.39Å; L302-F306 WeakPolarHBondContact O-CB 3.27Å; L302-F306 WeakPolarHBondContact O-CD2 3.34Å; L302-F306 PolarHBondContact O-N 3.33Å; V304-F306 PolarHBondContact O-N 3.04Å; F306-L309 HydrophobicContact CD1-CD2 4.05Å; F306-L309 HydrophobicContact CE1-CD2 4.12Å; F306-L309 PolarHBondContact O-N 2.83Å; F306-S310 VanDerWaalsContact O-CB 3.31Å; F306-S310 WeakPolarHBondContact O-CB 3.47Å; F306-S310 PolarHBondContact O-N 2.77Å; F306-S310 PolarHBondContact O-OG 3.4Å; F306-I327 HydrophobicContact CB-CD1 3.48Å; F306-I327 VanDerWaalsContact CB-CD1 3.48Å; F306-I327 HydrophobicContact CG-CD1 4.09Å; F306-L791 HydrophobicContact CD1-CB 4.48Å; F306-L791 HydrophobicContact CD1-CD2 3.67Å; F306-L791 HydrophobicContact CD2-CD2 3.88Å; F306-L791 HydrophobicContact CE1-CB 3.72Å; F306-L791 HydrophobicContact CE1-CD1 4.41Å; F306-L791 HydrophobicContact CE1-CD2 3.58Å; F306-L791 HydrophobicContact CE1-CG 4.06Å; F306-L791 HydrophobicContact CE2-CD1 4.16Å; F306-L791 HydrophobicContact CE2-CD2 3.81Å; F306-L791 HydrophobicContact CE2-CG 4.47Å; F306-L791 HydrophobicContact CG-CD2 3.82Å; F306-L791 HydrophobicContact CZ-CB 3.96Å; F306-L791 HydrophobicContact CZ-CD1 3.85Å; F306-L791 HydrophobicContact CZ-CD2 3.66Å; F306-L791 HydrophobicContact CZ-CG 4Å; F306-I794 HydrophobicContact CD1-CD1 4.27Å; F306-I795 HydrophobicContact CE1-CD1 3.69Å; F306-I795 HydrophobicContact CE1-CG1 4.08Å; F306-I795 HydrophobicContact CZ-CD1 4.1Å
307	F	91.8	Very high	90.9	Very high	36 Å²	36	66.1 Å²	66.1	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-50.4	167.8	177.1	-96	0	0	0	111	G303 V304 L309 S310 L311 W317 A320 V321 L324	G303-F307 WeakPolarHBondContact O-CB 3.38Å; G303-F307 PolarHBondContact O-N 3.18Å; V304-F307 WeakPolarHBondContact O-CB 3.12Å; V304-F307 PolarHBondContact O-N 2.91Å; F307-L309 PolarHBondContact O-N 3.12Å; F307-S310 PolarHBondContact O-N 3.38Å; F307-S310 PolarHBondContact O-OG 3.38Å; F307-L311 HydrophobicContact CD1-CD1 4.11Å; F307-L311 HydrophobicContact CE1-CD1 3.53Å; F307-L311 HydrophobicContact CE1-CG 4.47Å; F307-L311 HydrophobicContact CZ-CD1 3.84Å; F307-L311 PolarHBondContact O-N 2.7Å; F307-L311 VanDerWaalsContact O-N 3.13Å; F307-W317 HydrophobicContact CE1-CZ3 4.47Å; F307-W317 HydrophobicContact CZ-CE3 4.09Å; F307-W317 HydrophobicContact CZ-CZ3 4.02Å; F307-A320 HydrophobicContact CD2-CB 3.71Å; F307-A320 WeakPolarHBondContact CD2-O 2.94Å; F307-A320 HydrophobicContact CE2-CB 3.5Å; F307-A320 HydrophobicContact CZ-CB 4.34Å; F307-V321 HydrophobicContact CE2-CG2 4.01Å; F307-L324 HydrophobicContact CB-CD1 4.48Å; F307-L324 HydrophobicContact CD2-CB 4.11Å; F307-L324 HydrophobicContact CD2-CD2 4.29Å
308	I	93.6	Very high	90.5	Very high	91 Å²	91	65.9 Å²	65.9	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-43.9	176.9	-64.7	166.2	0	0	0	110.5	V304 S305 S310 L311 I312	V304-I308 HydrophobicContact CG1-CD1 3.92Å; V304-I308 HydrophobicContact CG1-CG1 4.48Å; V304-I308 WeakPolarHBondContact O-CG1 3.25Å; V304-I308 PolarHBondContact O-N 3.2Å; S305-I308 PolarHBondContact O-N 3.29Å; I308-S310 VanDerWaalsContact C-N 3.29Å; I308-S310 PolarHBondContact O-N 2.88Å; I308-L311 PolarHBondContact O-N 2.89Å; I308-I312 HydrophobicContact CG2-CD1 4Å; I308-I312 WeakPolarHBondContact O-CG1 3.29Å; I308-I312 PolarHBondContact O-N 3.23Å
309	L	93.3	Very high	90.1	Very high	60 Å²	60	66.9 Å²	66.9	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-42.4	176.1	-167	87	0	0	0	111.4	S305 F306 F307 L311 I312 L313 I795	S305-L309 WeakPolarHBondContact O-CB 3.19Å; S305-L309 PolarHBondContact O-N 2.72Å; F306-L309 HydrophobicContact CD1-CD2 4.05Å; F306-L309 HydrophobicContact CE1-CD2 4.12Å; F306-L309 PolarHBondContact O-N 2.83Å; F307-L309 PolarHBondContact O-N 3.12Å; L309-L311 VanDerWaalsContact C-N 3.35Å; L309-L311 PolarHBondContact O-N 3.46Å; L309-I312 WeakPolarHBondContact O-CB 3.48Å; L309-I312 PolarHBondContact O-N 2.85Å; L309-I312 VanDerWaalsContact O-N 3.16Å; L309-L313 HydrophobicContact CD2-CD1 4.15Å; L309-L313 HydrophobicContact CG-CD1 4.14Å; L309-L313 WeakPolarHBondContact O-CG 3.47Å; L309-L313 PolarHBondContact O-N 3.12Å; L309-I795 HydrophobicContact CD2-CD1 4.47Å; L309-I795 HydrophobicContact CD2-CG1 3.95Å
310	S	91.9	Very high	90	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-39.8	178.9	72.1	0	0	0	0	111.9	F306 F307 I308 I312 L313 E314 Y315 A320	F306-S310 VanDerWaalsContact O-CB 3.31Å; F306-S310 WeakPolarHBondContact O-CB 3.47Å; F306-S310 PolarHBondContact O-N 2.77Å; F306-S310 PolarHBondContact O-OG 3.4Å; F307-S310 PolarHBondContact O-N 3.38Å; F307-S310 PolarHBondContact O-OG 3.38Å; I308-S310 VanDerWaalsContact C-N 3.29Å; I308-S310 PolarHBondContact O-N 2.88Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.19Å; S310-L313 CarbonylContact O-C 3.59Å; S310-L313 PolarHBondContact O-N 3.13Å; S310-E314 PolarHBondContact O-N 3.16Å; S310-Y315 WeakPolarHBondContact O-CB 3.47Å; S310-Y315 VanDerWaalsContact O-CD2 3.27Å; S310-Y315 WeakPolarHBondContact O-CD2 3.33Å; S310-Y315 PolarHBondContact O-N 2.89Å; S310-Y315 VanDerWaalsContact O-N 3.1Å; S310-A320 VanDerWaalsContact OG-CB 3.22Å; S310-A320 WeakPolarHBondContact OG-CB 3.18Å
311	L	92.1	Very high	89.7	Confident	52 Å²	52	65.2 Å²	65.2	27%	0.272	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-33.3	174.6	-64.6	172.3	0	0	0	112.2	F307 I308 L309 L313 E314 W317 A320	F307-L311 HydrophobicContact CD1-CD1 4.11Å; F307-L311 HydrophobicContact CE1-CD1 3.53Å; F307-L311 HydrophobicContact CE1-CG 4.47Å; F307-L311 HydrophobicContact CZ-CD1 3.84Å; F307-L311 PolarHBondContact O-N 2.7Å; F307-L311 VanDerWaalsContact O-N 3.13Å; I308-L311 PolarHBondContact O-N 2.89Å; L309-L311 VanDerWaalsContact C-N 3.35Å; L309-L311 PolarHBondContact O-N 3.46Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-E314 PolarHBondContact O-N 3.4Å; L311-W317 HydrophobicContact CD1-CH2 4.34Å; L311-W317 HydrophobicContact CD1-CZ3 4.42Å; L311-W317 HydrophobicContact CD2-CD2 4.22Å; L311-W317 HydrophobicContact CD2-CG 4.38Å; L311-A320 HydrophobicContact CD2-CB 3.89Å; L311-A320 HydrophobicContact CG-CB 4.2Å
312	I	94	Very high	89.2	Confident	122 Å²	122	60.9 Å²	60.9	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-68.4	-35.2	174.4	-67.6	168.1	0	0	0	111.3	I308 L309 S310 E314	I308-I312 HydrophobicContact CG2-CD1 4Å; I308-I312 WeakPolarHBondContact O-CG1 3.29Å; I308-I312 PolarHBondContact O-N 3.23Å; L309-I312 WeakPolarHBondContact O-CB 3.48Å; L309-I312 PolarHBondContact O-N 2.85Å; L309-I312 VanDerWaalsContact O-N 3.16Å; S310-I312 VanDerWaalsContact C-N 3.3Å; S310-I312 PolarHBondContact O-N 3.19Å; I312-E314 PolarHBondContact O-N 2.8Å
313	L	90.1	Very high	88.8	Confident	78 Å²	78	59.5 Å²	59.5	41%	0.408	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	16.2	176.8	-65.4	174.2	0	0	0	113.3	L309 S310 L311 Y315 I794	L309-L313 HydrophobicContact CD2-CD1 4.15Å; L309-L313 HydrophobicContact CG-CD1 4.14Å; L309-L313 WeakPolarHBondContact O-CG 3.47Å; L309-L313 PolarHBondContact O-N 3.12Å; S310-L313 CarbonylContact O-C 3.59Å; S310-L313 PolarHBondContact O-N 3.13Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L313-Y315 VanDerWaalsContact C-N 3.33Å; L313-Y315 HydrophobicContact CB-CD2 3.94Å; L313-Y315 HydrophobicContact CB-CE2 3.93Å; L313-Y315 HydrophobicContact CD1-CE2 4.44Å; L313-Y315 PolarHBondContact O-N 2.87Å; L313-I794 HydrophobicContact CD1-CG2 4.29Å
314	E	86.7	Confident	88.6	Confident	184 Å²	184	61 Å²	61	86%	0.86	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	20.8	175	-54.2	-174.9	167.7	0	0	115.9	S310 L311 I312	S310-E314 PolarHBondContact O-N 3.16Å; L311-E314 PolarHBondContact O-N 3.4Å; I312-E314 PolarHBondContact O-N 2.8Å
315	Y	88	Confident	88.2	Confident	24 Å²	24	57.9 Å²	57.9	9%	0.094	29%	0.287	C	S	.	.			trans	-69.5	150.9	169	-69	-81.5	0	0	0	111.9	S310 L313 E319 F323 I794 N797 R887	S310-Y315 WeakPolarHBondContact O-CB 3.47Å; S310-Y315 VanDerWaalsContact O-CD2 3.27Å; S310-Y315 WeakPolarHBondContact O-CD2 3.33Å; S310-Y315 PolarHBondContact O-N 2.89Å; S310-Y315 VanDerWaalsContact O-N 3.1Å; L313-Y315 VanDerWaalsContact C-N 3.33Å; L313-Y315 HydrophobicContact CB-CD2 3.94Å; L313-Y315 HydrophobicContact CB-CE2 3.93Å; L313-Y315 HydrophobicContact CD1-CE2 4.44Å; L313-Y315 PolarHBondContact O-N 2.87Å; Y315-E319 HydrophobicContact CD1-CB 4.49Å; Y315-F323 AromaticContact CD1-CE2 3.65Å; Y315-F323 HydrophobicContact CD1-CE2 3.65Å; Y315-F323 AromaticContact CD1-CZ 3.84Å; Y315-F323 HydrophobicContact CD1-CZ 3.84Å; Y315-F323 HydrophobicContact CD2-CE2 4.12Å; Y315-F323 AromaticContact CE1-CE2 3.86Å; Y315-F323 HydrophobicContact CE1-CE2 3.86Å; Y315-F323 AromaticContact CE1-CZ 3.86Å; Y315-F323 HydrophobicContact CE1-CZ 3.86Å; Y315-F323 HydrophobicContact CE2-CE2 4.3Å; Y315-F323 AromaticContact CG-CE2 3.76Å; Y315-F323 HydrophobicContact CG-CE2 3.76Å; Y315-F323 HydrophobicContact CG-CZ 4.4Å; Y315-I794 HydrophobicContact CE2-CG2 3.94Å; Y315-I794 PolarHBondContact OH-O 2.78Å; Y315-N797 PolarHBondContact OH-OD1 3.48Å; Y315-R887 PolarHBondContact OH-NH1 3.08Å; Y315-R887 VanDerWaalsContact OH-NH1 3.09Å
316	T	88.3	Confident	87.7	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.472	27%	0.273	S	S	.	.			trans	-68.9	157.7	176.1	66.5	0	0	0	0	111.4	L318 E319 A320	T316-L318 PolarHBondContact O-N 3.01Å; T316-E319 WeakPolarHBondContact CB-OE2 3.33Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.46Å; T316-E319 PolarHBondContact N-OE2 3.23Å; T316-E319 PolarHBondContact O-N 2.93Å; T316-E319 VanDerWaalsContact OG1-CD 3.31Å; T316-E319 VanDerWaalsContact OG1-CG 3.25Å; T316-E319 WeakPolarHBondContact OG1-CG 3.44Å; T316-E319 PolarHBondContact OG1-N 3.46Å; T316-E319 PolarHBondContact OG1-OE2 3.31Å; T316-A320 WeakPolarHBondContact O-CB 3.26Å; T316-A320 PolarHBondContact O-N 3.14Å
317	W	85.8	Confident	87.4	Confident	183 Å²	183	54.3 Å²	54.3	69%	0.693	27%	0.266	S	S	*	.	H	α-helix	trans	-56.9	-35.1	175.6	-77.1	83.8	0	0	0	112.8	F307 L311 V321	F307-W317 HydrophobicContact CE1-CZ3 4.47Å; F307-W317 HydrophobicContact CZ-CE3 4.09Å; F307-W317 HydrophobicContact CZ-CZ3 4.02Å; L311-W317 HydrophobicContact CD1-CH2 4.34Å; L311-W317 HydrophobicContact CD1-CZ3 4.42Å; L311-W317 HydrophobicContact CD2-CD2 4.22Å; L311-W317 HydrophobicContact CD2-CG 4.38Å; W317-V321 VanDerWaalsContact O-CG2 3.28Å; W317-V321 WeakPolarHBondContact O-CG2 3.3Å; W317-V321 PolarHBondContact O-N 2.98Å
318	L	81.9	Confident	87.1	Confident	37 Å²	37	53.8 Å²	53.8	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-48.4	179.1	-178.7	62.9	0	0	0	111.1	I117 Q118 T316 A320 V321 I322	I117-L318 HydrophobicContact CB-CD1 4.25Å; I117-L318 HydrophobicContact CG2-CD1 3.97Å; Q118-L318 HydrophobicContact CG-CD1 4.42Å; Q118-L318 HydrophobicContact CG-CD2 3.85Å; T316-L318 PolarHBondContact O-N 3.01Å; L318-A320 PolarHBondContact O-N 3.37Å; L318-V321 PolarHBondContact O-N 3.1Å; L318-I322 HydrophobicContact CG-CD1 4.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.44Å; L318-I322 PolarHBondContact O-N 2.79Å
319	E	82.6	Confident	86.5	Confident	65 Å²	65	49.6 Å²	49.6	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-43.1	176.8	-68.6	166.3	128.2	0	0	111.7	Y315 T316 V321 I322 F323	Y315-E319 HydrophobicContact CD1-CB 4.49Å; T316-E319 WeakPolarHBondContact CB-OE2 3.33Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.46Å; T316-E319 PolarHBondContact N-OE2 3.23Å; T316-E319 PolarHBondContact O-N 2.93Å; T316-E319 VanDerWaalsContact OG1-CD 3.31Å; T316-E319 VanDerWaalsContact OG1-CG 3.25Å; T316-E319 WeakPolarHBondContact OG1-CG 3.44Å; T316-E319 PolarHBondContact OG1-N 3.46Å; T316-E319 PolarHBondContact OG1-OE2 3.31Å; E319-V321 VanDerWaalsContact C-N 3.29Å; E319-V321 PolarHBondContact O-N 3.31Å; E319-I322 PolarHBondContact O-N 3.48Å; E319-I322 VanDerWaalsContact O-N 3.1Å; E319-F323 HydrophobicContact CB-CE1 4.47Å; E319-F323 HydrophobicContact CB-CE2 4.17Å; E319-F323 HydrophobicContact CB-CZ 3.89Å; E319-F323 WeakPolarHBondContact O-CD1 3.37Å; E319-F323 WeakPolarHBondContact O-CD2 3.3Å; E319-F323 VanDerWaalsContact O-CG 3.22Å; E319-F323 WeakPolarHBondContact O-CG 3.39Å; E319-F323 PolarHBondContact O-N 3.05Å
320	A	86.7	Confident	86.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-42.9	176.1	0	0	0	0	0	111.4	F307 S310 L311 T316 L318 F323 L324	F307-A320 HydrophobicContact CD2-CB 3.71Å; F307-A320 WeakPolarHBondContact CD2-O 2.94Å; F307-A320 HydrophobicContact CE2-CB 3.5Å; F307-A320 HydrophobicContact CZ-CB 4.34Å; S310-A320 VanDerWaalsContact OG-CB 3.22Å; S310-A320 WeakPolarHBondContact OG-CB 3.18Å; L311-A320 HydrophobicContact CD2-CB 3.89Å; L311-A320 HydrophobicContact CG-CB 4.2Å; T316-A320 WeakPolarHBondContact O-CB 3.26Å; T316-A320 PolarHBondContact O-N 3.14Å; L318-A320 PolarHBondContact O-N 3.37Å; A320-F323 PolarHBondContact O-N 3.02Å; A320-L324 WeakPolarHBondContact O-CB 3.41Å; A320-L324 PolarHBondContact O-N 2.46Å
321	V	83.6	Confident	86	Confident	39 Å²	39	46.8 Å²	46.8	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-41	174.9	169.7	0	0	0	0	111.6	F307 W317 L318 E319 F323 L324 I325	F307-V321 HydrophobicContact CE2-CG2 4.01Å; W317-V321 VanDerWaalsContact O-CG2 3.28Å; W317-V321 WeakPolarHBondContact O-CG2 3.3Å; W317-V321 PolarHBondContact O-N 2.98Å; L318-V321 PolarHBondContact O-N 3.1Å; E319-V321 VanDerWaalsContact C-N 3.29Å; E319-V321 PolarHBondContact O-N 3.31Å; V321-F323 VanDerWaalsContact C-N 3.34Å; V321-F323 PolarHBondContact O-N 3.5Å; V321-L324 WeakPolarHBondContact O-CB 3.31Å; V321-L324 PolarHBondContact O-N 3.1Å; V321-I325 HydrophobicContact CG1-CD1 4.02Å; V321-I325 VanDerWaalsContact O-CG1 3.28Å; V321-I325 WeakPolarHBondContact O-CG1 3.42Å; V321-I325 PolarHBondContact O-N 3.4Å
322	I	82	Confident	85.7	Confident	46 Å²	46	44.3 Å²	44.3	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-41.9	176.5	-67.9	167.4	0	0	0	110.8	A114 L318 E319 I325 G326	A114-I322 HydrophobicContact CB-CG1 4.44Å; L318-I322 HydrophobicContact CG-CD1 4.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.44Å; L318-I322 PolarHBondContact O-N 2.79Å; E319-I322 PolarHBondContact O-N 3.48Å; E319-I322 VanDerWaalsContact O-N 3.1Å; I322-I325 PolarHBondContact O-N 3.5Å; I322-G326 PolarHBondContact O-N 2.9Å
323	F	85.1	Confident	85.3	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-41.5	175.2	-58	-20.5	0	0	0	112.1	Y315 E319 A320 V321 I325 G326 I327 F793 I794 R887	Y315-F323 AromaticContact CD1-CE2 3.65Å; Y315-F323 HydrophobicContact CD1-CE2 3.65Å; Y315-F323 AromaticContact CD1-CZ 3.84Å; Y315-F323 HydrophobicContact CD1-CZ 3.84Å; Y315-F323 HydrophobicContact CD2-CE2 4.12Å; Y315-F323 AromaticContact CE1-CE2 3.86Å; Y315-F323 HydrophobicContact CE1-CE2 3.86Å; Y315-F323 AromaticContact CE1-CZ 3.86Å; Y315-F323 HydrophobicContact CE1-CZ 3.86Å; Y315-F323 HydrophobicContact CE2-CE2 4.3Å; Y315-F323 AromaticContact CG-CE2 3.76Å; Y315-F323 HydrophobicContact CG-CE2 3.76Å; Y315-F323 HydrophobicContact CG-CZ 4.4Å; E319-F323 HydrophobicContact CB-CE1 4.47Å; E319-F323 HydrophobicContact CB-CE2 4.17Å; E319-F323 HydrophobicContact CB-CZ 3.89Å; E319-F323 WeakPolarHBondContact O-CD1 3.37Å; E319-F323 WeakPolarHBondContact O-CD2 3.3Å; E319-F323 VanDerWaalsContact O-CG 3.22Å; E319-F323 WeakPolarHBondContact O-CG 3.39Å; E319-F323 PolarHBondContact O-N 3.05Å; A320-F323 PolarHBondContact O-N 3.02Å; V321-F323 VanDerWaalsContact C-N 3.34Å; V321-F323 PolarHBondContact O-N 3.5Å; F323-I325 VanDerWaalsContact C-N 3.3Å; F323-I325 PolarHBondContact O-N 2.95Å; F323-G326 PolarHBondContact O-N 2.89Å; F323-I327 WeakPolarHBondContact O-CB 3.45Å; F323-I327 VanDerWaalsContact O-CG1 3.26Å; F323-I327 WeakPolarHBondContact O-CG1 3.29Å; F323-I327 PolarHBondContact O-N 3.43Å; F323-F793 HydrophobicContact CD1-CE1 4.22Å; F323-F793 HydrophobicContact CE1-CD1 4.26Å; F323-F793 AromaticContact CE1-CE1 3.57Å; F323-F793 HydrophobicContact CE1-CE1 3.57Å; F323-F793 HydrophobicContact CZ-CE1 4.17Å; F323-I794 HydrophobicContact CB-CD1 3.79Å; F323-I794 HydrophobicContact CB-CG1 4.49Å; F323-I794 HydrophobicContact CD1-CG1 4.44Å; F323-I794 HydrophobicContact CD2-CD1 3.81Å; F323-I794 HydrophobicContact CD2-CG1 3.71Å; F323-I794 HydrophobicContact CE2-CG1 4.04Å; F323-I794 HydrophobicContact CG-CD1 3.8Å; F323-I794 HydrophobicContact CG-CG1 3.95Å; F323-R887 VanDerWaalsContact CZ-NH2 3.26Å
324	L	86	Confident	85	Confident	32 Å²	32	35.2 Å²	35.2	17%	0.168	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-45.6	175.2	174.5	64.9	0	0	0	110.9	G303 F307 A320 V321 I328	G303-L324 WeakPolarHBondContact O-CD1 3.31Å; F307-L324 HydrophobicContact CB-CD1 4.48Å; F307-L324 HydrophobicContact CD2-CB 4.11Å; F307-L324 HydrophobicContact CD2-CD2 4.29Å; A320-L324 WeakPolarHBondContact O-CB 3.41Å; A320-L324 PolarHBondContact O-N 2.46Å; V321-L324 WeakPolarHBondContact O-CB 3.31Å; V321-L324 PolarHBondContact O-N 3.1Å; L324-I328 HydrophobicContact CD1-CD1 3.82Å; L324-I328 HydrophobicContact CD1-CG1 4.28Å; L324-I328 HydrophobicContact CG-CD1 3.98Å; L324-I328 WeakPolarHBondContact O-CB 3.33Å; L324-I328 VanDerWaalsContact O-CG1 3.27Å; L324-I328 WeakPolarHBondContact O-CG1 3.26Å; L324-I328 PolarHBondContact O-N 3.38Å
325	I	82.6	Confident	84.8	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-50.9	176.1	-65.6	163.3	0	0	0	110.3	L110 C111 A114 V321 I322 F323 I327 I328 V329	L110-I325 HydrophobicContact CB-CD1 3.74Å; L110-I325 HydrophobicContact CB-CG1 3.74Å; L110-I325 HydrophobicContact CD1-CG1 4.33Å; C111-I325 VanDerWaalsContact SG-CG2 3.52Å; A114-I325 HydrophobicContact CB-CD1 4.26Å; V321-I325 HydrophobicContact CG1-CD1 4.02Å; V321-I325 VanDerWaalsContact O-CG1 3.28Å; V321-I325 WeakPolarHBondContact O-CG1 3.42Å; V321-I325 PolarHBondContact O-N 3.4Å; I322-I325 PolarHBondContact O-N 3.5Å; F323-I325 VanDerWaalsContact C-N 3.3Å; F323-I325 PolarHBondContact O-N 2.95Å; I325-I327 VanDerWaalsContact C-N 3.32Å; I325-I327 PolarHBondContact O-N 2.88Å; I325-I328 PolarHBondContact O-N 3.17Å; I325-V329 HydrophobicContact CG2-CG2 4.24Å; I325-V329 WeakPolarHBondContact O-CG2 3.28Å; I325-V329 PolarHBondContact O-N 2.94Å
326	G	82.4	Confident	84.6	Confident	4 Å²	4	25.4 Å²	25.4	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-42.2	-179.5	0	0	0	0	0	112.9	I322 F323 A330	I322-G326 PolarHBondContact O-N 2.9Å; F323-G326 PolarHBondContact O-N 2.89Å; G326-A330 VanDerWaalsContact O-CB 3.29Å; G326-A330 WeakPolarHBondContact O-CB 3.38Å; G326-A330 PolarHBondContact O-N 3.47Å
327	I	87.8	Confident	84.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.2	-41.3	177.2	-66.3	168.8	0	0	0	111.2	L302 F306 F323 I325 N331 F790 L791 I794	L302-I327 HydrophobicContact CB-CG2 4.1Å; F306-I327 HydrophobicContact CB-CD1 3.48Å; F306-I327 VanDerWaalsContact CB-CD1 3.48Å; F306-I327 HydrophobicContact CG-CD1 4.09Å; F323-I327 WeakPolarHBondContact O-CB 3.45Å; F323-I327 VanDerWaalsContact O-CG1 3.26Å; F323-I327 WeakPolarHBondContact O-CG1 3.29Å; F323-I327 PolarHBondContact O-N 3.43Å; I325-I327 VanDerWaalsContact C-N 3.32Å; I325-I327 PolarHBondContact O-N 2.88Å; I327-N331 PolarHBondContact O-N 3.4Å; I327-N331 VanDerWaalsContact O-N 3.14Å; I327-N331 PolarHBondContact O-ND2 2.87Å; I327-F790 HydrophobicContact CG1-CB 4.31Å; I327-L791 HydrophobicContact CD1-CD2 3.97Å; I327-L791 HydrophobicContact CG1-CD2 4.24Å; I327-I794 HydrophobicContact CD1-CD1 4.1Å
328	I	83.8	Confident	84	Confident	24 Å²	24	16 Å²	16	12%	0.123	9%	0.087	C	C	.	.	H	α-helix	trans	-63.6	-47.7	177.3	-71.8	171	0	0	0	110.3	L324 I325 N331 V332	L324-I328 HydrophobicContact CD1-CD1 3.82Å; L324-I328 HydrophobicContact CD1-CG1 4.28Å; L324-I328 HydrophobicContact CG-CD1 3.98Å; L324-I328 WeakPolarHBondContact O-CB 3.33Å; L324-I328 VanDerWaalsContact O-CG1 3.27Å; L324-I328 WeakPolarHBondContact O-CG1 3.26Å; L324-I328 PolarHBondContact O-N 3.38Å; I325-I328 PolarHBondContact O-N 3.17Å; I328-N331 PolarHBondContact O-N 3.03Å; I328-N331 VanDerWaalsContact O-N 3.14Å; I328-V332 HydrophobicContact CG2-CG2 4.46Å; I328-V332 WeakPolarHBondContact O-CG2 3.33Å; I328-V332 PolarHBondContact O-N 3.29Å
329	V	81.6	Confident	84.4	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-51.2	178.5	172.1	0	0	0	0	110	L136 I325 N331 V332 E334 T804	L136-V329 HydrophobicContact CD1-CG2 3.99Å; I325-V329 HydrophobicContact CG2-CG2 4.24Å; I325-V329 WeakPolarHBondContact O-CG2 3.28Å; I325-V329 PolarHBondContact O-N 2.94Å; V329-N331 PolarHBondContact O-N 3.21Å; V329-V332 PolarHBondContact O-N 3.3Å; V329-E334 WeakPolarHBondContact CG1-OE1 3.32Å; V329-T804 HydrophobicContact CG1-CG2 4.01Å
330	A	86.6	Confident	84.7	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-17.4	178.3	0	0	0	0	0	114.6	G326 E786 I787 I807	G326-A330 VanDerWaalsContact O-CB 3.29Å; G326-A330 WeakPolarHBondContact O-CB 3.38Å; G326-A330 PolarHBondContact O-N 3.47Å; A330-E786 HydrophobicContact CB-CB 4.48Å; A330-I787 HydrophobicContact CB-CB 4.39Å; A330-I787 HydrophobicContact CB-CG1 3.66Å; A330-I787 VanDerWaalsContact O-CG1 3.29Å; A330-I787 WeakPolarHBondContact O-CG1 3.18Å; A330-I807 HydrophobicContact CB-CD1 3.98Å
331	N	87.6	Confident	84.6	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-92.1	-19.8	175.7	-86.6	-91.5	0	0	0	113.6	I295 A299 I327 I328 V329 P333 N783 I787	I295-N331 WeakPolarHBondContact CG2-O 3.3Å; A299-N331 HydrophobicContact CB-CB 3.5Å; I327-N331 PolarHBondContact O-N 3.4Å; I327-N331 VanDerWaalsContact O-N 3.14Å; I327-N331 PolarHBondContact O-ND2 2.87Å; I328-N331 PolarHBondContact O-N 3.03Å; I328-N331 VanDerWaalsContact O-N 3.14Å; V329-N331 PolarHBondContact O-N 3.21Å; N331-P333 WeakPolarHBondContact O-CD 3.35Å; N331-N783 PolarHBondContact O-ND2 2.95Å; N331-N783 VanDerWaalsContact O-ND2 3.1Å; N331-I787 HydrophobicContact CB-CD1 4.32Å; N331-I787 WeakPolarHBondContact ND2-CD1 3.43Å; N331-I787 VanDerWaalsContact OD1-CD1 3.25Å; N331-I787 WeakPolarHBondContact OD1-CD1 3.31Å
332	V	85.9	Confident	84.8	Confident	1 Å²	1	12.3 Å²	12.3	1%	0.006	7%	0.07	C	C	.	.	S	Bend	trans	-93	113.9	-175.9	175	0	0	0	0	108.4	F100 L103 L104 I328 V329 E334	F100-V332 HydrophobicContact CB-CG1 4.41Å; F100-V332 HydrophobicContact CD1-CG1 3.95Å; F100-V332 HydrophobicContact CG-CG1 4.46Å; L103-V332 HydrophobicContact CB-CG2 4.18Å; L103-V332 HydrophobicContact CD2-CG2 3.66Å; L104-V332 HydrophobicContact CD2-CB 4.34Å; L104-V332 HydrophobicContact CD2-CG1 3.77Å; L104-V332 HydrophobicContact CG-CG1 4.15Å; I328-V332 HydrophobicContact CG2-CG2 4.46Å; I328-V332 WeakPolarHBondContact O-CG2 3.33Å; I328-V332 PolarHBondContact O-N 3.29Å; V329-V332 PolarHBondContact O-N 3.3Å; V332-E334 HydrophobicContact CG1-CG 4.49Å; V332-E334 PolarHBondContact O-N 3.04Å
333	P	85.9	Confident	85.3	Confident	2 Å²	2	10.1 Å²	10.1	1%	0.013	6%	0.059	C	C	.	.			trans	-77.1	91.4	-179.6	32.3	-35.6	0	0	0	110.2	F100 F291 N331 G335 L336 T779 L780	F100-P333 HydrophobicContact CZ-CG 4.43Å; F291-P333 HydrophobicContact CZ-CG 4.41Å; N331-P333 WeakPolarHBondContact O-CD 3.35Å; P333-G335 VanDerWaalsContact C-N 3.31Å; P333-G335 PolarHBondContact O-N 2.67Å; P333-L336 HydrophobicContact CB-CB 3.9Å; P333-L336 HydrophobicContact CB-CD2 4.3Å; P333-L336 HydrophobicContact CG-CB 4.01Å; P333-L336 HydrophobicContact CG-CD2 3.81Å; P333-L336 WeakPolarHBondContact O-CB 3.39Å; P333-L336 PolarHBondContact O-N 2.64Å; P333-L336 VanDerWaalsContact O-N 3.14Å; P333-T779 HydrophobicContact CB-CG2 4.2Å; P333-L780 HydrophobicContact CB-CD2 4.48Å; P333-L780 HydrophobicContact CG-CD2 4.07Å
334	E	83.4	Confident	85.5	Confident	7 Å²	7	10.2 Å²	10.2	3%	0.033	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.3	-169	-62.6	92.4	162.2	0	0	113.3	L104 V139 V329 V332 L336 L812	L104-E334 HydrophobicContact CD1-CG 4.17Å; L104-E334 HydrophobicContact CD2-CG 3.75Å; V139-E334 HydrophobicContact CG1-CB 4.32Å; V329-E334 WeakPolarHBondContact CG1-OE1 3.32Å; V332-E334 HydrophobicContact CG1-CG 4.49Å; V332-E334 PolarHBondContact O-N 3.04Å; E334-L336 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 2.94Å; E334-L812 HydrophobicContact CB-CD2 3.94Å; E334-L812 HydrophobicContact CB-CG 4.32Å
335	G	82.4	Confident	85.6	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.4	178.2	0	0	0	0	0	114.1	P333 L337 A338 T339 D811	P333-G335 VanDerWaalsContact C-N 3.31Å; P333-G335 PolarHBondContact O-N 2.67Å; G335-L337 PolarHBondContact O-N 3.14Å; G335-A338 PolarHBondContact O-N 2.89Å; G335-T339 PolarHBondContact O-N 3.2Å; G335-T339 PolarHBondContact O-OG1 2.58Å; G335-T339 VanDerWaalsContact O-OG1 3.05Å; G335-D811 WeakPolarHBondContact CA-O 3.5Å
336	L	84.9	Confident	85.9	Confident	1 Å²	1	11.6 Å²	11.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-67.5	-40.7	-165.4	-176.5	60.8	0	0	0	113.6	F291 P333 E334 A338 T339 V340 I776 T779	F291-L336 HydrophobicContact CE1-CD2 3.42Å; F291-L336 VanDerWaalsContact CE1-CD2 3.42Å; F291-L336 HydrophobicContact CE1-CG 4.47Å; F291-L336 HydrophobicContact CE2-CD2 4.35Å; F291-L336 HydrophobicContact CZ-CD2 3.22Å; P333-L336 HydrophobicContact CB-CB 3.9Å; P333-L336 HydrophobicContact CB-CD2 4.3Å; P333-L336 HydrophobicContact CG-CB 4.01Å; P333-L336 HydrophobicContact CG-CD2 3.81Å; P333-L336 WeakPolarHBondContact O-CB 3.39Å; P333-L336 PolarHBondContact O-N 2.64Å; P333-L336 VanDerWaalsContact O-N 3.14Å; E334-L336 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 2.94Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 3.26Å; L336-T339 WeakPolarHBondContact O-CB 3.49Å; L336-T339 PolarHBondContact O-N 3.35Å; L336-V340 HydrophobicContact CD1-CG2 4.24Å; L336-V340 HydrophobicContact CG-CG2 4.37Å; L336-V340 WeakPolarHBondContact O-CG2 3.18Å; L336-V340 PolarHBondContact O-N 2.87Å; L336-I776 HydrophobicContact CD1-CB 4.44Å; L336-I776 HydrophobicContact CD1-CG1 3.9Å; L336-I776 HydrophobicContact CD2-CG1 4.34Å; L336-I776 HydrophobicContact CD2-CG2 4.26Å; L336-T779 HydrophobicContact CB-CG2 4.25Å; L336-T779 HydrophobicContact CD1-CG2 4.32Å
337	L	78.8	Confident	86.4	Confident	44 Å²	44	11.6 Å²	11.6	23%	0.23	7%	0.067	C	C	.	.	H	α-helix	trans	-63.3	-40.5	180	-175.8	62.3	0	0	0	111.3	T143 G335 T341	T143-L337 HydrophobicContact CG2-CB 4.47Å; T143-L337 HydrophobicContact CG2-CD2 3.82Å; T143-L337 HydrophobicContact CG2-CG 4.25Å; G335-L337 PolarHBondContact O-N 3.14Å; L337-T341 WeakPolarHBondContact O-CB 3.25Å; L337-T341 PolarHBondContact O-N 2.92Å; L337-T341 VanDerWaalsContact O-N 3.15Å; L337-T341 PolarHBondContact O-OG1 3.17Å
338	A	83.3	Confident	86.4	Confident	18 Å²	18	12.2 Å²	12.2	15%	0.149	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-43.7	175.3	0	0	0	0	0	110.6	G335 L336 T341 V342 M816	G335-A338 PolarHBondContact O-N 2.89Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-A338 PolarHBondContact O-N 3.26Å; A338-T341 WeakPolarHBondContact O-CB 3.3Å; A338-T341 PolarHBondContact O-N 3.5Å; A338-V342 WeakPolarHBondContact O-CG2 3.24Å; A338-V342 PolarHBondContact O-N 2.94Å; A338-M816 HydrophobicContact CB-CE 4.24Å
339	T	88.9	Confident	86.6	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-52.9	176.1	-63.7	0	0	0	0	111.9	G335 L336 T341 V342 C343 S775 A819 I820	G335-T339 PolarHBondContact O-N 3.2Å; G335-T339 PolarHBondContact O-OG1 2.58Å; G335-T339 VanDerWaalsContact O-OG1 3.05Å; L336-T339 WeakPolarHBondContact O-CB 3.49Å; L336-T339 PolarHBondContact O-N 3.35Å; T339-T341 PolarHBondContact O-N 3.08Å; T339-V342 PolarHBondContact O-N 2.94Å; T339-V342 VanDerWaalsContact O-N 3.15Å; T339-C343 WeakPolarHBondContact O-CB 3.43Å; T339-C343 PolarHBondContact O-N 2.87Å; T339-C343 PolarHBondContact O-SG 3.13Å; T339-S775 WeakPolarHBondContact CG2-OG 3.38Å; T339-A819 HydrophobicContact CG2-CB 3.72Å; T339-I820 HydrophobicContact CG2-CG1 4Å
340	V	88.8	Confident	87	Confident	11 Å²	11	19.3 Å²	19.3	7%	0.067	10%	0.101	C	C	.	.	H	α-helix	trans	-54.8	-44.4	177.8	172.2	0	0	0	0	110.9	I288 L336 C343 L344 L772	I288-V340 HydrophobicContact CD1-CG1 4.16Å; L336-V340 HydrophobicContact CD1-CG2 4.24Å; L336-V340 HydrophobicContact CG-CG2 4.37Å; L336-V340 WeakPolarHBondContact O-CG2 3.18Å; L336-V340 PolarHBondContact O-N 2.87Å; V340-C343 WeakPolarHBondContact O-CB 3.49Å; V340-C343 PolarHBondContact O-N 2.86Å; V340-L344 HydrophobicContact CG1-CD1 4.24Å; V340-L344 WeakPolarHBondContact O-CG 3.48Å; V340-L344 PolarHBondContact O-N 2.87Å; V340-L772 HydrophobicContact CB-CD2 4.33Å; V340-L772 HydrophobicContact CG1-CD2 4.08Å; V340-L772 HydrophobicContact CG2-CD2 4.17Å
341	T	84.9	Confident	87.2	Confident	19 Å²	19	19.4 Å²	19.4	12%	0.117	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-179.8	-59.4	0	0	0	0	112.2	F146 Q150 L337 A338 T339 T345	F146-T341 HydrophobicContact CD1-CG2 3.95Å; F146-T341 HydrophobicContact CE1-CG2 3.73Å; Q150-T341 VanDerWaalsContact CD-CG2 3.46Å; L337-T341 WeakPolarHBondContact O-CB 3.25Å; L337-T341 PolarHBondContact O-N 2.92Å; L337-T341 VanDerWaalsContact O-N 3.15Å; L337-T341 PolarHBondContact O-OG1 3.17Å; A338-T341 WeakPolarHBondContact O-CB 3.3Å; A338-T341 PolarHBondContact O-N 3.5Å; T339-T341 PolarHBondContact O-N 3.08Å; T341-T345 WeakPolarHBondContact O-CB 3.22Å; T341-T345 PolarHBondContact O-N 2.5Å; T341-T345 PolarHBondContact O-OG1 3.42Å
342	V	88.9	Confident	87.2	Confident	32 Å²	32	21.3 Å²	21.3	19%	0.194	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-45	173.4	173.8	0	0	0	0	110.8	F146 A338 T339 L344 T345 L346 I820	F146-V342 HydrophobicContact CE1-CG2 3.76Å; F146-V342 HydrophobicContact CZ-CG2 3.62Å; A338-V342 WeakPolarHBondContact O-CG2 3.24Å; A338-V342 PolarHBondContact O-N 2.94Å; T339-V342 PolarHBondContact O-N 2.94Å; T339-V342 VanDerWaalsContact O-N 3.15Å; V342-L344 PolarHBondContact O-N 3.27Å; V342-T345 WeakPolarHBondContact O-CB 3.46Å; V342-T345 PolarHBondContact O-N 2.82Å; V342-T345 VanDerWaalsContact O-N 3.12Å; V342-L346 HydrophobicContact CG1-CD1 3.99Å; V342-L346 HydrophobicContact CG1-CG 4.21Å; V342-L346 VanDerWaalsContact O-CG 3.3Å; V342-L346 WeakPolarHBondContact O-CG 3.39Å; V342-L346 PolarHBondContact O-N 3.37Å; V342-I820 HydrophobicContact CB-CD1 4.3Å; V342-I820 HydrophobicContact CB-CG1 4.33Å; V342-I820 HydrophobicContact CG1-CD1 4.03Å; V342-I820 HydrophobicContact CG1-CG1 4.13Å; V342-I820 HydrophobicContact CG1-CG2 3.76Å; V342-I820 HydrophobicContact CG2-CD1 4.4Å
343	C	91.5	Very high	87.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.9	-47.2	178.6	-68.1	0	0	0	0	111.5	T339 V340 L346 T347 I768 L772 A823	T339-C343 WeakPolarHBondContact O-CB 3.43Å; T339-C343 PolarHBondContact O-N 2.87Å; T339-C343 PolarHBondContact O-SG 3.13Å; V340-C343 WeakPolarHBondContact O-CB 3.49Å; V340-C343 PolarHBondContact O-N 2.86Å; C343-L346 PolarHBondContact O-N 2.99Å; C343-T347 PolarHBondContact O-N 2.85Å; C343-T347 PolarHBondContact O-OG1 3.38Å; C343-I768 HydrophobicContact CB-CD1 4.19Å; C343-L772 HydrophobicContact CB-CD2 3.84Å; C343-A823 HydrophobicContact CB-CB 3.81Å; C343-A823 VanDerWaalsContact SG-CB 3.57Å
344	L	89.4	Confident	87.7	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-42	174.6	-68.9	174.2	0	0	0	112	V340 V342 L346 T347 A348 L361 I768 L772	V340-L344 HydrophobicContact CG1-CD1 4.24Å; V340-L344 WeakPolarHBondContact O-CG 3.48Å; V340-L344 PolarHBondContact O-N 2.87Å; V342-L344 PolarHBondContact O-N 3.27Å; L344-L346 VanDerWaalsContact C-N 3.33Å; L344-L346 PolarHBondContact O-N 3.14Å; L344-T347 PolarHBondContact O-N 3.15Å; L344-A348 WeakPolarHBondContact O-CB 3.37Å; L344-A348 PolarHBondContact O-N 3.17Å; L344-L361 HydrophobicContact CB-CB 4.49Å; L344-I768 HydrophobicContact CD2-CG1 4.16Å; L344-L772 HydrophobicContact CD2-CD1 4.24Å
345	T	87.6	Confident	88	Confident	30 Å²	30	38.7 Å²	38.7	18%	0.184	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177.7	-65.8	0	0	0	0	112.6	Q150 T341 V342 A348 K349	Q150-T345 VanDerWaalsContact CD-OG1 3.3Å; Q150-T345 PolarHBondContact NE2-OG1 2.88Å; Q150-T345 PolarHBondContact OE1-OG1 3.28Å; T341-T345 WeakPolarHBondContact O-CB 3.22Å; T341-T345 PolarHBondContact O-N 2.5Å; T341-T345 PolarHBondContact O-OG1 3.42Å; V342-T345 WeakPolarHBondContact O-CB 3.46Å; V342-T345 PolarHBondContact O-N 2.82Å; V342-T345 VanDerWaalsContact O-N 3.12Å; T345-A348 PolarHBondContact O-N 3.23Å; T345-K349 PolarHBondContact O-N 3.45Å
346	L	90.3	Very high	88.4	Confident	36 Å²	36	38.9 Å²	38.9	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-41.9	178.1	-70.3	173.5	0	0	0	111.4	V342 C343 L344 K349 R350 I820 Y824	V342-L346 HydrophobicContact CG1-CD1 3.99Å; V342-L346 HydrophobicContact CG1-CG 4.21Å; V342-L346 VanDerWaalsContact O-CG 3.3Å; V342-L346 WeakPolarHBondContact O-CG 3.39Å; V342-L346 PolarHBondContact O-N 3.37Å; C343-L346 PolarHBondContact O-N 2.99Å; L344-L346 VanDerWaalsContact C-N 3.33Å; L344-L346 PolarHBondContact O-N 3.14Å; L346-K349 PolarHBondContact O-N 2.99Å; L346-R350 PolarHBondContact O-N 3.34Å; L346-I820 HydrophobicContact CD1-CG2 3.91Å; L346-Y824 HydrophobicContact CD1-CD2 4.4Å; L346-Y824 HydrophobicContact CD1-CE2 3.5Å; L346-Y824 VanDerWaalsContact CD1-CE2 3.5Å; L346-Y824 WeakPolarHBondContact CD2-OH 3.16Å
347	T	91.8	Very high	88.6	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-42.9	175.3	-52.6	0	0	0	0	111.3	C343 L344 K349 R350 M351 V364 E764 I768	C343-T347 PolarHBondContact O-N 2.85Å; C343-T347 PolarHBondContact O-OG1 3.38Å; L344-T347 PolarHBondContact O-N 3.15Å; T347-K349 VanDerWaalsContact C-N 3.32Å; T347-K349 PolarHBondContact O-N 3.4Å; T347-R350 WeakPolarHBondContact O-CA 3.2Å; T347-R350 WeakPolarHBondContact O-CB 3.12Å; T347-R350 PolarHBondContact O-N 2.92Å; T347-M351 PolarHBondContact O-N 3.42Å; T347-V364 HydrophobicContact CG2-CG1 3.39Å; T347-E764 HydrophobicContact CG2-CB 4.06Å; T347-I768 HydrophobicContact CG2-CB 4.3Å; T347-I768 WeakPolarHBondContact OG1-CD1 3.45Å
348	A	88.8	Confident	89	Confident	13 Å²	13	38.9 Å²	38.9	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-43.2	174.2	0	0	0	0	0	111.9	L344 T345 R350 M351 A352 L361 V364	L344-A348 WeakPolarHBondContact O-CB 3.37Å; L344-A348 PolarHBondContact O-N 3.17Å; T345-A348 PolarHBondContact O-N 3.23Å; A348-R350 VanDerWaalsContact C-N 3.32Å; A348-R350 PolarHBondContact O-N 2.87Å; A348-M351 PolarHBondContact O-N 2.93Å; A348-A352 WeakPolarHBondContact O-CB 3.42Å; A348-A352 PolarHBondContact O-N 3.29Å; A348-L361 HydrophobicContact CB-CD2 3.64Å; A348-V364 HydrophobicContact CB-CG2 3.86Å
349	K	87.8	Confident	88.8	Confident	120 Å²	120	40 Å²	40	52%	0.522	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-36.5	173.6	-81.5	-172	177.3	178.2	0	112.7	T345 L346 T347 A352 R353	T345-K349 PolarHBondContact O-N 3.45Å; L346-K349 PolarHBondContact O-N 2.99Å; T347-K349 VanDerWaalsContact C-N 3.32Å; T347-K349 PolarHBondContact O-N 3.4Å; K349-A352 PolarHBondContact O-N 2.88Å; K349-R353 WeakPolarHBondContact O-CG 3.18Å; K349-R353 PolarHBondContact O-N 3.35Å; K349-R353 VanDerWaalsContact O-N 3.17Å
350	R	90.1	Very high	88.3	Confident	57 Å²	57	42.7 Å²	42.7	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-40.9	177.4	-168.4	-172.5	-64.3	168.5	1	111.2	L346 T347 A348 R353 E764	L346-R350 PolarHBondContact O-N 3.34Å; T347-R350 WeakPolarHBondContact O-CA 3.2Å; T347-R350 WeakPolarHBondContact O-CB 3.12Å; T347-R350 PolarHBondContact O-N 2.92Å; A348-R350 VanDerWaalsContact C-N 3.32Å; A348-R350 PolarHBondContact O-N 2.87Å; R350-R353 PolarHBondContact O-N 3.33Å; R350-E764 WeakPolarHBondContact CD-OE1 3.46Å; R350-E764 VanDerWaalsContact CD-OE2 3.29Å; R350-E764 WeakPolarHBondContact CD-OE2 3.26Å; R350-E764 IonicContact CZ-OE2 3.54Å; R350-E764 IonicContact NE-OE2 2.93Å; R350-E764 IonicContact NH1-OE2 2.75Å; R350-E764 PolarHBondContact NH1-OE2 3.49Å
351	M	90.1	Very high	87.9	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-40.2	174.5	-69.3	-166.5	-62.3	0	0	112.5	T347 A348 R353 K354 N355 C356 V358 V364 E764	T347-M351 PolarHBondContact O-N 3.42Å; A348-M351 PolarHBondContact O-N 2.93Å; M351-R353 PolarHBondContact O-N 3.02Å; M351-K354 CarbonylContact O-C 3.41Å; M351-K354 VanDerWaalsContact O-C 3.32Å; M351-K354 WeakPolarHBondContact O-CA 3.49Å; M351-K354 WeakPolarHBondContact O-CB 3.48Å; M351-K354 PolarHBondContact O-N 3.3Å; M351-N355 PolarHBondContact O-N 3.07Å; M351-C356 CarbonylContact C-O 3.58Å; M351-C356 HydrophobicContact CB-CB 4.16Å; M351-C356 PolarHBondContact O-N 3.07Å; M351-V358 HydrophobicContact CE-CG2 3.43Å; M351-V358 VanDerWaalsContact CE-CG2 3.43Å; M351-V364 HydrophobicContact CE-CB 3.74Å; M351-V364 HydrophobicContact CE-CG1 3.38Å; M351-V364 HydrophobicContact CE-CG2 3.47Å; M351-V364 VanDerWaalsContact CE-CG2 3.47Å; M351-V364 HydrophobicContact SD-CG1 4.46Å; M351-E764 HydrophobicContact CG-CB 4.37Å; M351-E764 HydrophobicContact CG-CG 4.3Å; M351-E764 HydrophobicContact SD-CB 4.26Å
352	A	88.8	Confident	88	Confident	40 Å²	40	46.2 Å²	46.2	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-34	176.7	0	0	0	0	0	112.6	A348 K349 K354 N355 C356	A348-A352 WeakPolarHBondContact O-CB 3.42Å; A348-A352 PolarHBondContact O-N 3.29Å; K349-A352 PolarHBondContact O-N 2.88Å; A352-K354 PolarHBondContact O-N 2.69Å; A352-N355 PolarHBondContact O-N 3.44Å; A352-N355 VanDerWaalsContact O-N 3.12Å; A352-C356 VanDerWaalsContact CA-O 3.31Å; A352-C356 WeakPolarHBondContact CA-O 3.35Å; A352-C356 PolarHBondContact N-O 2.89Å; A352-C356 VanDerWaalsContact N-O 3.13Å
353	R	90.6	Very high	88	Confident	213 Å²	213	44.8 Å²	44.8	80%	0.804	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.7	172.4	-72.2	173.8	-178	175.7	0.5	113.5	K349 R350 M351	K349-R353 WeakPolarHBondContact O-CG 3.18Å; K349-R353 PolarHBondContact O-N 3.35Å; K349-R353 VanDerWaalsContact O-N 3.17Å; R350-R353 PolarHBondContact O-N 3.33Å; M351-R353 PolarHBondContact O-N 3.02Å
354	K	90.1	Very high	87.8	Confident	90 Å²	90	44.8 Å²	44.8	39%	0.391	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	28.5	174.6	-57.1	177.6	-178	169.9	0	110.9	M351 A352 C356 T760 E764	M351-K354 CarbonylContact O-C 3.41Å; M351-K354 VanDerWaalsContact O-C 3.32Å; M351-K354 WeakPolarHBondContact O-CA 3.49Å; M351-K354 WeakPolarHBondContact O-CB 3.48Å; M351-K354 PolarHBondContact O-N 3.3Å; A352-K354 PolarHBondContact O-N 2.69Å; K354-C356 PolarHBondContact O-N 3.08Å; K354-T760 HydrophobicContact CD-CG2 3.59Å; K354-E764 IonicContact NZ-OE1 3.66Å; K354-E764 PolarHBondContact NZ-OE1 3.13Å
355	N	89.9	Confident	88.1	Confident	73 Å²	73	44.4 Å²	44.4	39%	0.39	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	17.3	179.9	-57.9	-38.1	0	0	0	115.7	M351 A352 L751 D752	M351-N355 PolarHBondContact O-N 3.07Å; A352-N355 PolarHBondContact O-N 3.44Å; A352-N355 VanDerWaalsContact O-N 3.12Å; N355-L751 HydrophobicContact CB-CB 4.21Å; N355-L751 WeakPolarHBondContact O-CB 3.47Å; N355-L751 PolarHBondContact O-N 2.77Å; N355-D752 HydrophobicContact CB-CB 3.96Å; N355-D752 WeakPolarHBondContact CB-OD2 3.5Å; N355-D752 PolarHBondContact ND2-OD2 3.02Å
356	C	91.4	Very high	88.5	Confident	4 Å²	4	43 Å²	43	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	96.2	176.8	-174.6	0	0	0	0	109.1	M351 A352 K354 M748 L750	M351-C356 CarbonylContact C-O 3.58Å; M351-C356 HydrophobicContact CB-CB 4.16Å; M351-C356 PolarHBondContact O-N 3.07Å; A352-C356 VanDerWaalsContact CA-O 3.31Å; A352-C356 WeakPolarHBondContact CA-O 3.35Å; A352-C356 PolarHBondContact N-O 2.89Å; A352-C356 VanDerWaalsContact N-O 3.13Å; K354-C356 PolarHBondContact O-N 3.08Å; C356-M748 PolarHBondContact SG-SD 3.33Å; C356-L750 HydrophobicContact CB-CD2 4.35Å
357	L	89.4	Confident	88.6	Confident	32 Å²	32	41.3 Å²	41.3	17%	0.168	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.2	-175.8	179	68.2	0	0	0	110.4	I157 M748 I749 L751	I157-L357 HydrophobicContact CG2-CD2 4.19Å; L357-M748 CarbonylContact O-C 3.58Å; L357-M748 WeakPolarHBondContact O-CA 3.3Å; L357-M748 WeakPolarHBondContact O-CG 3.34Å; L357-I749 HydrophobicContact CB-CB 4.45Å; L357-I749 PolarHBondContact N-O 3.22Å; L357-I749 PolarHBondContact O-N 2.97Å; L357-L751 HydrophobicContact CB-CD1 4.14Å; L357-L751 HydrophobicContact CB-CD2 4.34Å; L357-L751 HydrophobicContact CB-CG 4.12Å; L357-L751 HydrophobicContact CD2-CD2 4.35Å
358	V	86.1	Confident	88.8	Confident	13 Å²	13	41.3 Å²	41.3	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.5	177.5	178.9	0	0	0	0	110.8	M351 N360 A363 V364 M748	M351-V358 HydrophobicContact CE-CG2 3.43Å; M351-V358 VanDerWaalsContact CE-CG2 3.43Å; V358-N360 WeakPolarHBondContact CG1-O 3.43Å; V358-A363 HydrophobicContact CG1-CB 4.19Å; V358-V364 HydrophobicContact CB-CG2 4.3Å; V358-V364 HydrophobicContact CG1-CG2 3.9Å; V358-V364 HydrophobicContact CG2-CG2 4.1Å; V358-M748 HydrophobicContact CG2-CG 4.02Å; V358-M748 HydrophobicContact CG2-SD 4.1Å
359	K	79.8	Confident	89.2	Confident	42 Å²	42	40.8 Å²	40.8	18%	0.183	19%	0.191	C	C	.	.	S	Bend	trans	-90.9	-40.3	177.4	-56	-169.4	-61.7	178	0	112.6	S154 M158 K743 Q744 A746 D747 I749	S154-K359 WeakPolarHBondContact CB-O 3.48Å; S154-K359 WeakPolarHBondContact OG-CA 3.46Å; S154-K359 PolarHBondContact OG-O 3.04Å; M158-K359 HydrophobicContact CE-CD 3.22Å; M158-K359 HydrophobicContact CE-CG 4.36Å; K359-K743 PolarHBondContact NZ-O 3.16Å; K359-Q744 PolarHBondContact NZ-O 2.98Å; K359-A746 VanDerWaalsContact CE-C 3.48Å; K359-A746 WeakPolarHBondContact CE-O 3.17Å; K359-A746 PolarHBondContact NZ-O 2.67Å; K359-D747 WeakPolarHBondContact CA-O 3.34Å; K359-D747 VanDerWaalsContact CB-O 3.23Å; K359-D747 WeakPolarHBondContact CB-O 3.38Å; K359-D747 PolarHBondContact N-O 3.04Å; K359-I749 HydrophobicContact CD-CD1 4.11Å; K359-I749 HydrophobicContact CD-CG1 4.44Å
360	N	77.7	Confident	89.6	Confident	58 Å²	58	35 Å²	35	31%	0.31	17%	0.166	S	C	.	.	S	Bend	trans	-108	120.8	173.4	-175.4	-4	0	0	0	109.4	V358 E362 A363	V358-N360 WeakPolarHBondContact CG1-O 3.43Å; N360-E362 PolarHBondContact O-N 3.4Å; N360-E362 VanDerWaalsContact O-N 3.11Å; N360-E362 PolarHBondContact OD1-N 3.47Å; N360-A363 HydrophobicContact CB-CB 4.28Å; N360-A363 WeakPolarHBondContact O-CB 2.91Å; N360-A363 PolarHBondContact O-N 3.47Å
361	L	81.5	Confident	90	Very high	43 Å²	43	33.8 Å²	33.8	23%	0.225	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.8	-178.2	-72.7	173.6	0	0	0	113.2	Q150 L344 A348 A363 V364	Q150-L361 HydrophobicContact CB-CD1 3.92Å; Q150-L361 HydrophobicContact CG-CD1 4.5Å; L344-L361 HydrophobicContact CB-CB 4.49Å; A348-L361 HydrophobicContact CB-CD2 3.64Å; L361-A363 VanDerWaalsContact C-N 3.28Å; L361-A363 PolarHBondContact O-N 3.03Å; L361-V364 WeakPolarHBondContact O-CB 3.01Å; L361-V364 WeakPolarHBondContact O-CG2 3.33Å; L361-V364 PolarHBondContact O-N 2.81Å
362	E	86.6	Confident	90.4	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.6	176.7	-64.9	179.4	179.9	0	0	112.9	T282 I284 N360 V364 E365 T366	T282-E362 HydrophobicContact CG2-CB 3.95Å; T282-E362 VanDerWaalsContact CG2-OE2 3.3Å; T282-E362 WeakPolarHBondContact CG2-OE2 3.25Å; T282-E362 PolarHBondContact OG1-OE2 2.87Å; I284-E362 HydrophobicContact CG2-CB 3.48Å; I284-E362 VanDerWaalsContact CG2-CB 3.48Å; I284-E362 HydrophobicContact CG2-CG 3.79Å; N360-E362 PolarHBondContact O-N 3.4Å; N360-E362 VanDerWaalsContact O-N 3.11Å; N360-E362 PolarHBondContact OD1-N 3.47Å; E362-V364 PolarHBondContact O-N 3.31Å; E362-E365 PolarHBondContact O-N 3.18Å; E362-T366 PolarHBondContact O-N 3.48Å; E362-T366 PolarHBondContact O-OG1 2.96Å
363	A	87.9	Confident	90.9	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-21.2	178.2	0	0	0	0	0	112.5	V358 N360 L361 E365 T366 I730 D747	V358-A363 HydrophobicContact CG1-CB 4.19Å; N360-A363 HydrophobicContact CB-CB 4.28Å; N360-A363 WeakPolarHBondContact O-CB 2.91Å; N360-A363 PolarHBondContact O-N 3.47Å; L361-A363 VanDerWaalsContact C-N 3.28Å; L361-A363 PolarHBondContact O-N 3.03Å; A363-E365 VanDerWaalsContact C-N 3.31Å; A363-E365 PolarHBondContact O-N 2.99Å; A363-T366 PolarHBondContact O-N 3.16Å; A363-I730 HydrophobicContact CB-CD1 3.84Å; A363-I730 HydrophobicContact CB-CG1 4.04Å; A363-I730 WeakPolarHBondContact O-CD1 3.25Å; A363-D747 HydrophobicContact CB-CB 3.89Å
364	V	88.9	Confident	91.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.2	-45	174.7	176.2	0	0	0	0	111.7	T347 A348 M351 V358 L361 E362 G765 I768	T347-V364 HydrophobicContact CG2-CG1 3.39Å; A348-V364 HydrophobicContact CB-CG2 3.86Å; M351-V364 HydrophobicContact CE-CB 3.74Å; M351-V364 HydrophobicContact CE-CG1 3.38Å; M351-V364 HydrophobicContact CE-CG2 3.47Å; M351-V364 VanDerWaalsContact CE-CG2 3.47Å; M351-V364 HydrophobicContact SD-CG1 4.46Å; V358-V364 HydrophobicContact CB-CG2 4.3Å; V358-V364 HydrophobicContact CG1-CG2 3.9Å; V358-V364 HydrophobicContact CG2-CG2 4.1Å; L361-V364 WeakPolarHBondContact O-CB 3.01Å; L361-V364 WeakPolarHBondContact O-CG2 3.33Å; L361-V364 PolarHBondContact O-N 2.81Å; E362-V364 PolarHBondContact O-N 3.31Å; V364-G765 VanDerWaalsContact O-CA 3.28Å; V364-G765 WeakPolarHBondContact O-CA 3.43Å; V364-I768 HydrophobicContact CG1-CG2 4.34Å
365	E	95.1	Very high	91.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-79.3	-32.1	-179.9	-179	-83.6	168.6	0	0	111.6	I284 E362 A363 L367 G368 S369 I768 F769 R837	I284-E365 HydrophobicContact CB-CB 4.13Å; I284-E365 HydrophobicContact CB-CG 4.18Å; I284-E365 HydrophobicContact CD1-CG 4.28Å; I284-E365 HydrophobicContact CG1-CB 4.46Å; I284-E365 HydrophobicContact CG1-CG 4.47Å; I284-E365 HydrophobicContact CG2-CB 4.47Å; I284-E365 PolarHBondContact N-OE2 2.82Å; E362-E365 PolarHBondContact O-N 3.18Å; A363-E365 VanDerWaalsContact C-N 3.31Å; A363-E365 PolarHBondContact O-N 2.99Å; E365-L367 VanDerWaalsContact C-N 3.25Å; E365-L367 PolarHBondContact O-N 3.47Å; E365-G368 WeakPolarHBondContact O-CA 3.45Å; E365-G368 PolarHBondContact O-N 2.76Å; E365-S369 PolarHBondContact O-N 2.97Å; E365-S369 PolarHBondContact OE1-OG 2.94Å; E365-I768 HydrophobicContact CB-CG2 4.23Å; E365-F769 HydrophobicContact CG-CB 4.25Å; E365-F769 HydrophobicContact CG-CD2 4.12Å; E365-F769 VanDerWaalsContact OE1-CD2 3.3Å; E365-F769 WeakPolarHBondContact OE1-CD2 3.43Å; E365-R837 IonicContact OE1-CZ 2.72Å; E365-R837 IonicContact OE1-NE 2.72Å; E365-R837 PolarHBondContact OE1-NE 3.3Å; E365-R837 IonicContact OE1-NH2 2.95Å; E365-R837 PolarHBondContact OE1-NH2 2.91Å
366	T	95.3	Very high	91.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-39.8	-173	-57	0	0	0	0	111.6	P283 E362 A363 G368 S369 T370 I711 D729 I730	P283-T366 HydrophobicContact CG-CG2 4.01Å; E362-T366 PolarHBondContact O-N 3.48Å; E362-T366 PolarHBondContact O-OG1 2.96Å; A363-T366 PolarHBondContact O-N 3.16Å; T366-G368 VanDerWaalsContact C-N 3.27Å; T366-G368 PolarHBondContact O-N 3.45Å; T366-S369 CarbonylContact O-C 3.27Å; T366-S369 WeakPolarHBondContact O-CA 3.4Å; T366-S369 PolarHBondContact O-N 3.08Å; T366-T370 PolarHBondContact O-N 3.43Å; T366-T370 PolarHBondContact O-OG1 2.96Å; T366-T370 VanDerWaalsContact O-OG1 3.07Å; T366-I711 HydrophobicContact CG2-CG2 4.08Å; T366-D729 HydrophobicContact CG2-CB 3.98Å; T366-I730 HydrophobicContact CG2-CB 3.76Å; T366-I730 HydrophobicContact CG2-CG2 3.83Å
367	L	93.6	Very high	92	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.6	-35.2	174.1	-77.2	164.4	0	0	0	113.8	E365 S369 T370 A713 I730 M748 V762	E365-L367 VanDerWaalsContact C-N 3.25Å; E365-L367 PolarHBondContact O-N 3.47Å; L367-S369 PolarHBondContact O-N 3.38Å; L367-T370 WeakPolarHBondContact CA-OG1 3.38Å; L367-T370 WeakPolarHBondContact O-CB 3.44Å; L367-T370 PolarHBondContact O-N 3.25Å; L367-T370 PolarHBondContact O-OG1 3.39Å; L367-A713 HydrophobicContact CD2-CB 4.39Å; L367-I730 HydrophobicContact CD1-CD1 3.77Å; L367-I730 HydrophobicContact CD2-CD1 4.02Å; L367-I730 HydrophobicContact CD2-CG2 4.07Å; L367-I730 HydrophobicContact CG-CD1 3.5Å; L367-I730 VanDerWaalsContact CG-CD1 3.5Å; L367-I730 HydrophobicContact CG-CG2 4.34Å; L367-M748 HydrophobicContact CD1-CE 3.48Å; L367-M748 VanDerWaalsContact CD1-CE 3.48Å; L367-M748 HydrophobicContact CD1-SD 3.46Å; L367-M748 WeakPolarHBondContact CD1-SD 3.41Å; L367-V762 HydrophobicContact CB-CG2 4.47Å; L367-V762 WeakPolarHBondContact O-CG2 3.47Å
368	G	94.6	Very high	91.9	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-67.6	-28.2	177.3	0	0	0	0	0	113	E365 T366 V762 R766	E365-G368 WeakPolarHBondContact O-CA 3.45Å; E365-G368 PolarHBondContact O-N 2.76Å; T366-G368 VanDerWaalsContact C-N 3.27Å; T366-G368 PolarHBondContact O-N 3.45Å; G368-V762 WeakPolarHBondContact CA-O 3.25Å; G368-R766 VanDerWaalsContact O-CG 3.25Å; G368-R766 WeakPolarHBondContact O-CG 3.31Å; G368-R766 PolarHBondContact O-NE 3.06Å
369	S	97.1	Very high	92	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-92.2	-9.8	179.2	-66.2	0	0	0	0	113.7	E365 T366 L367 S371 I711 R837	E365-S369 PolarHBondContact O-N 2.97Å; E365-S369 PolarHBondContact OE1-OG 2.94Å; T366-S369 CarbonylContact O-C 3.27Å; T366-S369 WeakPolarHBondContact O-CA 3.4Å; T366-S369 PolarHBondContact O-N 3.08Å; L367-S369 PolarHBondContact O-N 3.38Å; S369-S371 PolarHBondContact O-N 2.96Å; S369-I711 WeakPolarHBondContact O-CB 3.42Å; S369-R837 PolarHBondContact OG-NE 3.46Å; S369-R837 PolarHBondContact OG-NH2 3.49Å
370	T	97.9	Very high	92.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.			trans	-58.4	126	179	-62.8	0	0	0	0	111.7	T366 L367 T372 I373 I611 A713 P836	T366-T370 PolarHBondContact O-N 3.43Å; T366-T370 PolarHBondContact O-OG1 2.96Å; T366-T370 VanDerWaalsContact O-OG1 3.07Å; L367-T370 WeakPolarHBondContact CA-OG1 3.38Å; L367-T370 WeakPolarHBondContact O-CB 3.44Å; L367-T370 PolarHBondContact O-N 3.25Å; L367-T370 PolarHBondContact O-OG1 3.39Å; T370-T372 WeakPolarHBondContact CG2-O 3.41Å; T370-I373 HydrophobicContact CG2-CG1 3.96Å; T370-I611 HydrophobicContact CG2-CG2 4.4Å; T370-A713 HydrophobicContact CG2-CB 3.62Å; T370-P836 WeakPolarHBondContact O-CB 3.42Å; T370-P836 WeakPolarHBondContact O-CG 3.43Å
371	S	97.9	Very high	93.5	Very high	31 Å²	31	8.1 Å²	8.1	22%	0.217	5%	0.046	C	C	.	.			trans	-106.5	-18	173.9	57.7	0	0	0	0	113	S369 K612 A710 I711	S369-S371 PolarHBondContact O-N 2.96Å; S371-K612 PolarHBondContact O-N 3.21Å; S371-A710 WeakPolarHBondContact OG-CA 3.37Å; S371-A710 WeakPolarHBondContact OG-CB 3.44Å; S371-I711 PolarHBondContact N-O 3.37Å; S371-I711 PolarHBondContact OG-N 3.17Å; S371-I711 VanDerWaalsContact OG-N 3.1Å; S371-I711 PolarHBondContact OG-O 3.43Å
372	T	98.4	Very high	94	Very high	12 Å²	12	6.1 Å²	6.1	7%	0.074	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.9	179.1	-57.4	0	0	0	0	111.1	T370 K612 I614 I711 V712 A713	T370-T372 WeakPolarHBondContact CG2-O 3.41Å; T372-K612 CarbonylContact C-O 3.57Å; T372-K612 VanDerWaalsContact CA-O 3.23Å; T372-K612 WeakPolarHBondContact CA-O 3.32Å; T372-K612 HydrophobicContact CG2-CB 4.41Å; T372-I614 HydrophobicContact CG2-CD1 3.88Å; T372-I614 HydrophobicContact CG2-CG1 4.29Å; T372-I711 PolarHBondContact N-O 3.5Å; T372-I711 VanDerWaalsContact N-O 3.13Å; T372-V712 WeakPolarHBondContact O-CA 3.45Å; T372-A713 PolarHBondContact O-N 3.26Å
373	I	98.4	Very high	94.2	Very high	2 Å²	2	4 Å²	4	1%	0.01	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.9	171.8	-66.7	166	0	0	0	108	T370 C606 I611 K612 V613 I614 A713 I758	T370-I373 HydrophobicContact CG2-CG1 3.96Å; I373-C606 HydrophobicContact CD1-CB 4.25Å; I373-I611 HydrophobicContact CB-CG2 4.42Å; I373-I611 HydrophobicContact CD1-CG2 3.78Å; I373-I611 HydrophobicContact CG1-CG2 3.75Å; I373-K612 PolarHBondContact N-O 2.97Å; I373-V613 WeakPolarHBondContact O-CA 3.42Å; I373-I614 PolarHBondContact O-N 3.37Å; I373-A713 CarbonylContact C-O 3.59Å; I373-A713 WeakPolarHBondContact CA-O 3.49Å; I373-A713 HydrophobicContact CG1-CB 4.22Å; I373-I758 HydrophobicContact CD1-CG2 3.99Å
374	C	98.4	Very high	94.2	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.02	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	111	167.4	-68.5	0	0	0	0	108	I614 V616 V702 A713 V714 T715	C374-I614 WeakPolarHBondContact CA-O 3.31Å; C374-V616 HydrophobicContact CB-CG2 4.15Å; C374-V702 HydrophobicContact CB-CG2 4.47Å; C374-A713 PolarHBondContact N-O 3.06Å; C374-V714 HydrophobicContact CB-CG2 4.04Å; C374-V714 CarbonylContact O-C 3.48Å; C374-V714 VanDerWaalsContact O-CA 3.25Å; C374-V714 WeakPolarHBondContact O-CA 3.31Å; C374-T715 PolarHBondContact O-N 3.4Å
375	S	97.8	Very high	94.1	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.007	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.1	-177.2	-170.8	0	0	0	0	111.6	T380 L381 I614 M615 V616 T715	S375-T380 WeakPolarHBondContact OG-CG2 3.05Å; S375-L381 WeakPolarHBondContact OG-CG 3.24Å; S375-I614 PolarHBondContact N-O 2.81Å; S375-M615 WeakPolarHBondContact O-CA 3.16Å; S375-V616 PolarHBondContact O-N 3.3Å; S375-T715 VanDerWaalsContact CA-OG1 3.27Å; S375-T715 WeakPolarHBondContact CA-OG1 3.42Å; S375-T715 WeakPolarHBondContact CB-OG1 3.29Å; S375-T715 PolarHBondContact OG-OG1 2.98Å
376	D	95.8	Very high	93.9	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.011	6%	0.057	C	C	.	.			trans	-66.9	157.6	160.6	-170.3	59.1	0	0	0	110.9	T378 T380 L381 K698 T715	D376-T378 PolarHBondContact OD2-N 2.71Å; D376-T380 WeakPolarHBondContact O-CB 3.49Å; D376-L381 WeakPolarHBondContact O-CD1 3.3Å; D376-L381 VanDerWaalsContact O-CG 3.28Å; D376-L381 WeakPolarHBondContact O-CG 3.45Å; D376-K698 IonicContact OD1-NZ 2.7Å; D376-K698 PolarHBondContact OD1-NZ 2.9Å; D376-T715 PolarHBondContact N-O 2.95Å
377	K	93.6	Very high	93.8	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.017	6%	0.06	C	C	.	.	I	π-helix	trans	-90.2	-56.5	178.6	-176.7	-136.3	64.4	92.8	0	111.8	L381 T382 D593 M615 T617 D619 I627	K377-L381 PolarHBondContact O-N 3.37Å; K377-T382 HydrophobicContact CD-CG2 4.5Å; K377-T382 HydrophobicContact CG-CG2 4.08Å; K377-T382 PolarHBondContact NZ-OG1 3.09Å; K377-T382 PolarHBondContact O-N 2.99Å; K377-T382 PolarHBondContact O-OG1 3.33Å; K377-D593 IonicContact NZ-OD2 2.93Å; K377-D593 PolarHBondContact NZ-OD2 3.41Å; K377-D593 VanDerWaalsContact NZ-OD2 3.14Å; K377-M615 HydrophobicContact CB-CE 4.45Å; K377-M615 HydrophobicContact CB-CG 4.41Å; K377-M615 HydrophobicContact CB-SD 4.05Å; K377-M615 HydrophobicContact CG-CE 4.28Å; K377-M615 HydrophobicContact CG-SD 4.21Å; K377-T617 HydrophobicContact CB-CG2 4.33Å; K377-D619 HydrophobicContact CD-CB 4.27Å; K377-D619 VanDerWaalsContact CD-OD2 3.32Å; K377-D619 WeakPolarHBondContact CD-OD2 3.31Å; K377-D619 WeakPolarHBondContact CE-OD2 3.01Å; K377-D619 IonicContact NZ-OD2 2.93Å; K377-I627 HydrophobicContact CD-CB 4.47Å; K377-I627 HydrophobicContact CD-CG1 4.27Å; K377-I627 HydrophobicContact CD-CG2 4.48Å; K377-I627 HydrophobicContact CG-CB 4.35Å; K377-I627 HydrophobicContact CG-CG2 3.9Å
378	T	88.6	Confident	93.9	Very high	4 Å²	4	11.4 Å²	11.4	3%	0.025	6%	0.061	C	C	.	.	I	π-helix	trans	-75.8	131.2	-169.6	-58.9	0	0	0	0	109.4	G220 D376 T380 T382 N384	G220-T378 WeakPolarHBondContact O-CB 3.31Å; G220-T378 VanDerWaalsContact O-CG2 3.25Å; G220-T378 WeakPolarHBondContact O-CG2 3.49Å; G220-T378 PolarHBondContact O-OG1 2.91Å; D376-T378 PolarHBondContact OD2-N 2.71Å; T378-T380 PolarHBondContact O-N 3.28Å; T378-T382 VanDerWaalsContact CA-OG1 3.25Å; T378-T382 WeakPolarHBondContact CA-OG1 3.26Å; T378-N384 HydrophobicContact CG2-CB 4.05Å
379	G	87.6	Confident	93.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	68.6	-17.2	177.7	0	0	0	0	0	116.4	T382 R596 D717	G379-T382 CarbonylContact C-O 3.53Å; G379-T382 VanDerWaalsContact C-O 3.31Å; G379-T382 VanDerWaalsContact CA-O 3.25Å; G379-T382 WeakPolarHBondContact CA-O 3.18Å; G379-T382 PolarHBondContact N-O 2.9Å; G379-T382 PolarHBondContact N-OG1 3.36Å; G379-R596 PolarHBondContact O-NE 2.64Å; G379-R596 PolarHBondContact O-NH2 2.79Å; G379-D717 WeakPolarHBondContact CA-OD2 3.46Å
380	T	92.9	Very high	93.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-94.8	-72	172.5	-58.7	0	0	0	0	111	S375 D376 T378 R596 G716 D717 F755	S375-T380 WeakPolarHBondContact OG-CG2 3.05Å; D376-T380 WeakPolarHBondContact O-CB 3.49Å; T378-T380 PolarHBondContact O-N 3.28Å; T380-R596 WeakPolarHBondContact O-CD 3.36Å; T380-R596 PolarHBondContact O-NE 2.87Å; T380-G716 VanDerWaalsContact OG1-CA 3.29Å; T380-G716 WeakPolarHBondContact OG1-CA 3.47Å; T380-D717 PolarHBondContact OG1-N 3.32Å; T380-F755 HydrophobicContact CG2-CD2 4.36Å; T380-F755 HydrophobicContact CG2-CE2 4.07Å
381	L	94.9	Very high	93.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-77.5	-35.7	176.2	-65.9	170.9	0	0	0	111.9	S375 D376 K377 P595 R596 V599 V603 M615 I633 F755	S375-L381 WeakPolarHBondContact OG-CG 3.24Å; D376-L381 WeakPolarHBondContact O-CD1 3.3Å; D376-L381 VanDerWaalsContact O-CG 3.28Å; D376-L381 WeakPolarHBondContact O-CG 3.45Å; K377-L381 PolarHBondContact O-N 3.37Å; L381-P595 WeakPolarHBondContact O-CA 3.41Å; L381-R596 PolarHBondContact O-N 2.83Å; L381-V599 HydrophobicContact CB-CG1 4.18Å; L381-V599 HydrophobicContact CD2-CG1 3.57Å; L381-V599 HydrophobicContact CG-CG1 4.48Å; L381-V599 WeakPolarHBondContact O-CG2 3.21Å; L381-V603 HydrophobicContact CD2-CG2 4.35Å; L381-M615 HydrophobicContact CD1-CE 3.83Å; L381-I633 HydrophobicContact CD1-CD1 3.92Å; L381-F755 HydrophobicContact CD2-CD2 4.4Å; L381-F755 HydrophobicContact CD2-CE1 4.33Å; L381-F755 HydrophobicContact CD2-CE2 3.89Å; L381-F755 HydrophobicContact CD2-CZ 3.85Å
382	T	93.3	Very high	93.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-102.5	164.9	-179.8	56.4	0	0	0	0	111.3	K377 T378 G379 N384 D593 P594 R596 I627	K377-T382 HydrophobicContact CD-CG2 4.5Å; K377-T382 HydrophobicContact CG-CG2 4.08Å; K377-T382 PolarHBondContact NZ-OG1 3.09Å; K377-T382 PolarHBondContact O-N 2.99Å; K377-T382 PolarHBondContact O-OG1 3.33Å; T378-T382 VanDerWaalsContact CA-OG1 3.25Å; T378-T382 WeakPolarHBondContact CA-OG1 3.26Å; G379-T382 CarbonylContact C-O 3.53Å; G379-T382 VanDerWaalsContact C-O 3.31Å; G379-T382 VanDerWaalsContact CA-O 3.25Å; G379-T382 WeakPolarHBondContact CA-O 3.18Å; G379-T382 PolarHBondContact N-O 2.9Å; G379-T382 PolarHBondContact N-OG1 3.36Å; T382-N384 PolarHBondContact O-N 3.32Å; T382-D593 WeakPolarHBondContact CB-OD2 3.34Å; T382-D593 WeakPolarHBondContact CG2-O 3.39Å; T382-D593 PolarHBondContact OG1-OD2 3.32Å; T382-P594 CarbonylContact C-O 3.59Å; T382-P594 VanDerWaalsContact CA-O 3.24Å; T382-P594 WeakPolarHBondContact CA-O 3.2Å; T382-P594 WeakPolarHBondContact CB-O 3.31Å; T382-R596 PolarHBondContact O-NE 3.1Å; T382-I627 HydrophobicContact CG2-CD1 4.15Å; T382-I627 HydrophobicContact CG2-CG1 4.36Å; T382-I627 HydrophobicContact CG2-CG2 3.8Å
383	Q	90.5	Very high	93.5	Very high	18 Å²	18	11 Å²	11	8%	0.084	5%	0.054	C	C	.	.			trans	-77.2	-6.1	-174.2	-65.5	174.7	39.3	0	0	113.2	R385 T402 D593 P594 P595 R596	Q383-R385 PolarHBondContact O-N 3.42Å; Q383-T402 PolarHBondContact NE2-O 3.38Å; Q383-D593 PolarHBondContact N-OD1 3.34Å; Q383-P594 PolarHBondContact N-O 2.83Å; Q383-P595 PolarHBondContact NE2-O 3.38Å; Q383-R596 HydrophobicContact CG-CB 4.48Å; Q383-R596 HydrophobicContact CG-CG 3.86Å
384	N	87.1	Confident	93.3	Very high	56 Å²	56	12 Å²	12	30%	0.299	6%	0.059	S	C	.	.	S	Bend	trans	53.9	43.2	-170	-166.9	-0.6	0	0	0	111.6	S222 T378 T382 D593	S222-N384 WeakPolarHBondContact CB-OD1 3.5Å; S222-N384 PolarHBondContact OG-OD1 3.23Å; T378-N384 HydrophobicContact CG2-CB 4.05Å; T382-N384 PolarHBondContact O-N 3.32Å; N384-D593 VanDerWaalsContact CA-OD1 3.31Å; N384-D593 WeakPolarHBondContact CA-OD1 3.48Å; N384-D593 PolarHBondContact N-OD1 3.1Å
385	R	87.6	Confident	93.1	Very high	43 Å²	43	15.8 Å²	15.8	16%	0.162	8%	0.079	C	C	.	.	S	Bend	trans	-152.5	116	-178.8	-171.2	-172.4	69.6	-131	-12.7	111.2	Q383 T387 L443 D593 P594	Q383-R385 PolarHBondContact O-N 3.42Å; R385-T387 PolarHBondContact NE-OG1 2.79Å; R385-T387 PolarHBondContact O-N 3.4Å; R385-T387 PolarHBondContact O-OG1 2.85Å; R385-L443 WeakPolarHBondContact CD-O 3.39Å; R385-L443 PolarHBondContact NH1-O 3.06Å; R385-D593 PolarHBondContact N-OD1 3.29Å; R385-P594 VanDerWaalsContact O-CD 3.23Å; R385-P594 WeakPolarHBondContact O-CD 3.33Å
386	M	89.9	Confident	92.9	Very high	46 Å²	46	21.4 Å²	21.4	23%	0.227	11%	0.105	C	C	.	.			trans	-54.7	123.6	171	-163.2	59.4	62.5	0	0	110.5	A451 A455 M591 I592	M386-A451 HydrophobicContact CB-CB 4.04Å; M386-A455 HydrophobicContact CB-CB 4.26Å; M386-A455 HydrophobicContact CG-CB 4.03Å; M386-A455 VanDerWaalsContact O-CB 3.26Å; M386-A455 WeakPolarHBondContact O-CB 3.23Å; M386-M591 HydrophobicContact CG-CB 4.05Å; M386-M591 HydrophobicContact CG-CG 3.86Å; M386-M591 HydrophobicContact CG-SD 3.83Å; M386-M591 HydrophobicContact SD-CB 3.89Å; M386-M591 HydrophobicContact SD-CG 3.71Å; M386-M591 HydrophobicContact SD-SD 4.41Å; M386-I592 VanDerWaalsContact SD-CA 3.59Å
387	T	93.4	Very high	92.9	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.5	-175.1	-55.1	0	0	0	0	108.2	R385 A389 M591 I592	R385-T387 PolarHBondContact NE-OG1 2.79Å; R385-T387 PolarHBondContact O-N 3.4Å; R385-T387 PolarHBondContact O-OG1 2.85Å; T387-A389 PolarHBondContact O-N 3.41Å; T387-M591 VanDerWaalsContact O-CA 3.23Å; T387-M591 WeakPolarHBondContact O-CA 3.49Å; T387-M591 WeakPolarHBondContact O-CB 3.4Å; T387-I592 PolarHBondContact N-O 3.05Å; T387-I592 PolarHBondContact O-N 2.87Å; T387-I592 VanDerWaalsContact O-O 3.1Å
388	V	95.4	Very high	92.9	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	129	176.5	171.9	0	0	0	0	109	M391 A400 A455 L456 C459 I589 S590	V388-M391 HydrophobicContact CG1-CG 4.22Å; V388-M391 HydrophobicContact CG1-SD 4.36Å; V388-A400 HydrophobicContact CG1-CB 4.3Å; V388-A455 HydrophobicContact CG2-CB 4.47Å; V388-L456 HydrophobicContact CG2-CD2 4.08Å; V388-C459 HydrophobicContact CB-CB 4Å; V388-C459 HydrophobicContact CG2-CB 3.67Å; V388-I589 HydrophobicContact CB-CG2 4.29Å; V388-I589 HydrophobicContact CG1-CG2 3.48Å; V388-I589 VanDerWaalsContact CG1-CG2 3.48Å; V388-I589 HydrophobicContact CG2-CG2 3.88Å; V388-S590 WeakPolarHBondContact CA-O 3.24Å
389	A	93.4	Very high	93.1	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-56.9	-174.6	0	0	0	0	0	111.2	T387 A400 T402 E550 S590 I592	T387-A389 PolarHBondContact O-N 3.41Å; A389-A400 WeakPolarHBondContact O-CB 3.23Å; A389-A400 PolarHBondContact O-N 3.33Å; A389-T402 HydrophobicContact CB-CG2 4.13Å; A389-E550 VanDerWaalsContact CB-OE1 3.26Å; A389-E550 WeakPolarHBondContact CB-OE1 3.42Å; A389-S590 PolarHBondContact N-O 3.28Å; A389-I592 HydrophobicContact CB-CG2 3.9Å
390	H	95.6	Very high	93.3	Very high	29 Å²	29	31.2 Å²	31.2	13%	0.134	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.3	176.6	-55.8	87.1	0	0	0	112.2	I397 H398 L545 E550 S590	H390-I397 HydrophobicContact CB-CG2 4.06Å; H390-H398 CarbonylContact C-O 3.44Å; H390-H398 VanDerWaalsContact CA-O 3.23Å; H390-H398 WeakPolarHBondContact CA-O 3.44Å; H390-L545 HydrophobicContact CB-CD2 3.53Å; H390-E550 IonicContact CE1-OE1 3.86Å; H390-E550 PolarHBondContact CE1-OE1 3.37Å; H390-E550 IonicContact CE1-OE2 3.91Å; H390-E550 IonicContact CG-OE2 3Å; H390-E550 IonicContact ND1-OE1 2.71Å; H390-E550 PolarHBondContact ND1-OE1 3.22Å; H390-E550 IonicContact ND1-OE2 3.65Å; H390-E550 PolarHBondContact ND1-OE2 3.35Å; H390-S590 WeakPolarHBondContact CA-OG 3.2Å; H390-S590 VanDerWaalsContact CB-OG 3.31Å; H390-S590 WeakPolarHBondContact CB-OG 3.32Å; H390-S590 PolarHBondContact N-OG 2.99Å; H390-S590 VanDerWaalsContact N-OG 3.08Å; H390-S590 PolarHBondContact O-N 3Å; H390-S590 PolarHBondContact O-OG 3.37Å
391	M	96.1	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.9	174.2	-63.8	153.3	-65.6	0	0	108.5	V388 F393 I397 H398 A400 F411 W418 L588 I589	V388-M391 HydrophobicContact CG1-CG 4.22Å; V388-M391 HydrophobicContact CG1-SD 4.36Å; M391-F393 HydrophobicContact CB-CD1 4.14Å; M391-F393 HydrophobicContact CB-CE1 4.19Å; M391-I397 CarbonylContact O-C 3.59Å; M391-I397 WeakPolarHBondContact O-CA 3.35Å; M391-H398 HydrophobicContact CE-CB 4.31Å; M391-H398 PolarHBondContact N-O 3.4Å; M391-H398 PolarHBondContact O-N 3.11Å; M391-A400 HydrophobicContact CE-CB 3.85Å; M391-F411 HydrophobicContact CE-CD1 3.59Å; M391-F411 HydrophobicContact CE-CD2 3.82Å; M391-F411 HydrophobicContact CE-CE1 3.52Å; M391-F411 HydrophobicContact CE-CE2 3.73Å; M391-F411 HydrophobicContact CE-CG 3.76Å; M391-F411 HydrophobicContact CE-CZ 3.58Å; M391-F411 HydrophobicContact SD-CE1 4.3Å; M391-F411 HydrophobicContact SD-CE2 4.04Å; M391-F411 HydrophobicContact SD-CZ 3.85Å; M391-W418 HydrophobicContact CG-CZ3 4.45Å; M391-W418 HydrophobicContact SD-CE3 4.24Å; M391-W418 HydrophobicContact SD-CH2 3.69Å; M391-W418 HydrophobicContact SD-CZ3 3.32Å; M391-W418 WeakPolarHBondContact SD-CZ3 3.37Å; M391-L588 CarbonylContact C-O 3.59Å; M391-L588 VanDerWaalsContact CA-O 3.3Å; M391-L588 WeakPolarHBondContact CA-O 2.86Å; M391-I589 HydrophobicContact CG-CB 4.46Å; M391-I589 HydrophobicContact CG-CG1 4.14Å; M391-I589 HydrophobicContact CG-CG2 4.07Å
392	W	97	Very high	93.1	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.1	172.9	-176.9	82	0	0	0	109.3	N395 Q396 I521 A537 F538 A541 F585 G587 L588	W392-N395 HydrophobicContact CZ2-CB 4.49Å; W392-N395 WeakPolarHBondContact CZ2-OD1 3.37Å; W392-Q396 WeakPolarHBondContact CA-O 3.47Å; W392-I521 HydrophobicContact CH2-CD1 4.05Å; W392-I521 HydrophobicContact CZ3-CD1 4.12Å; W392-A537 HydrophobicContact CZ2-CB 4.48Å; W392-F538 HydrophobicContact CE3-CD2 4.36Å; W392-F538 HydrophobicContact CH2-CB 3.86Å; W392-F538 HydrophobicContact CH2-CD2 4.37Å; W392-F538 HydrophobicContact CZ2-CB 4.43Å; W392-F538 HydrophobicContact CZ3-CB 4.21Å; W392-F538 AromaticContact CZ3-CD2 3.86Å; W392-F538 HydrophobicContact CZ3-CD2 3.86Å; W392-A541 HydrophobicContact CD2-CB 4.22Å; W392-A541 HydrophobicContact CG-CB 3.88Å; W392-F585 HydrophobicContact CE3-CE1 4.05Å; W392-F585 HydrophobicContact CZ3-CD1 4.31Å; W392-F585 AromaticContact CZ3-CE1 3.66Å; W392-F585 HydrophobicContact CZ3-CE1 3.66Å; W392-G587 CarbonylContact O-C 3.11Å; W392-G587 WeakPolarHBondContact O-CA 3.3Å; W392-L588 HydrophobicContact CB-CB 3.94Å; W392-L588 HydrophobicContact CB-CD1 4.26Å; W392-L588 HydrophobicContact CB-CG 4.36Å; W392-L588 HydrophobicContact CE3-CD1 4.29Å; W392-L588 HydrophobicContact CE3-CG 4.18Å; W392-L588 PolarHBondContact N-O 2.99Å; W392-L588 PolarHBondContact O-N 2.93Å
393	F	95.8	Very high	92.9	Very high	2 Å²	2	35 Å²	35	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162	172.6	61.9	-93	0	0	0	108.5	M391 N395 Q396 H398 T417 W418 L421	M391-F393 HydrophobicContact CB-CD1 4.14Å; M391-F393 HydrophobicContact CB-CE1 4.19Å; F393-N395 PolarHBondContact O-N 3.03Å; F393-Q396 PolarHBondContact N-O 2.98Å; F393-Q396 PolarHBondContact O-N 3.45Å; F393-Q396 VanDerWaalsContact O-O 3.12Å; F393-H398 AromaticContact CD1-CD2 3.62Å; F393-H398 AromaticContact CD2-NE2 3.84Å; F393-H398 HydrophobicContact CE1-CB 4.22Å; F393-H398 AromaticContact CE1-CD2 3.25Å; F393-H398 WeakPolarHBondContact CE1-CD2 3.28Å; F393-H398 AromaticContact CE1-CG 3.77Å; F393-H398 AromaticContact CE1-NE2 3.82Å; F393-H398 AromaticContact CE2-CD2 3.81Å; F393-H398 AromaticContact CE2-NE2 3.44Å; F393-H398 WeakPolarHBondContact CE2-NE2 3.19Å; F393-H398 AromaticContact CZ-CD2 3.35Å; F393-H398 WeakPolarHBondContact CZ-CD2 3.37Å; F393-H398 AromaticContact CZ-CE1 3.91Å; F393-H398 AromaticContact CZ-CG 3.8Å; F393-H398 AromaticContact CZ-NE2 3.42Å; F393-H398 WeakPolarHBondContact CZ-NE2 3.12Å; F393-T417 HydrophobicContact CB-CG2 3.87Å; F393-T417 HydrophobicContact CD2-CG2 4.35Å; F393-T417 HydrophobicContact CG-CG2 4.5Å; F393-W418 HydrophobicContact CD1-CE3 4.48Å; F393-W418 AromaticContact CE1-CE3 3.96Å; F393-W418 HydrophobicContact CE1-CE3 3.96Å; F393-W418 HydrophobicContact CE2-CB 4.07Å; F393-W418 HydrophobicContact CZ-CB 3.99Å; F393-W418 HydrophobicContact CZ-CE3 4.44Å; F393-L421 HydrophobicContact CB-CD2 4.34Å; F393-L421 HydrophobicContact CD1-CD2 3.9Å; F393-L421 HydrophobicContact CG-CD2 4.45Å
394	D	95.3	Very high	92.7	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.112	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	31.8	-175.7	-66.3	-19	0	0	0	113.5	Q396 S415 T417 H524	D394-Q396 PolarHBondContact O-N 2.94Å; D394-S415 WeakPolarHBondContact OD2-CB 3.38Å; D394-S415 PolarHBondContact OD2-OG 3.37Å; D394-T417 WeakPolarHBondContact OD1-CB 3.4Å; D394-T417 WeakPolarHBondContact OD1-CG2 3.32Å; D394-T417 PolarHBondContact OD1-OG1 3.23Å; D394-H524 PolarHBondContact OD1-N 2.97Å; D394-H524 IonicContact OD1-ND1 3.21Å; D394-H524 IonicContact OD2-CE1 3.92Å; D394-H524 PolarHBondContact OD2-CE1 3.45Å; D394-H524 IonicContact OD2-CG 2.81Å; D394-H524 IonicContact OD2-ND1 2.77Å; D394-H524 PolarHBondContact OD2-ND1 3.4Å
395	N	93.4	Very high	92.5	Very high	83 Å²	83	39 Å²	39	44%	0.444	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	28.6	-175.5	-161.5	28.7	0	0	0	114.7	W392 F393 A537	W392-N395 HydrophobicContact CZ2-CB 4.49Å; W392-N395 WeakPolarHBondContact CZ2-OD1 3.37Å; F393-N395 PolarHBondContact O-N 3.03Å; N395-A537 VanDerWaalsContact OD1-CB 3.28Å; N395-A537 WeakPolarHBondContact OD1-CB 3.38Å
396	Q	94.3	Very high	92.4	Very high	119 Å²	119	40 Å²	40	56%	0.556	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	144	-180	-171	172.2	17.2	0	0	111.2	W392 F393 D394 H398	W392-Q396 WeakPolarHBondContact CA-O 3.47Å; F393-Q396 PolarHBondContact N-O 2.98Å; F393-Q396 PolarHBondContact O-N 3.45Å; F393-Q396 VanDerWaalsContact O-O 3.12Å; D394-Q396 PolarHBondContact O-N 2.94Å; Q396-H398 PolarHBondContact O-CD2 2.94Å
397	I	95	Very high	92	Very high	54 Å²	54	41.6 Å²	41.6	28%	0.277	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.8	170.6	-60.9	178.4	0	0	0	108.8	H390 M391 A541 E544 L545	H390-I397 HydrophobicContact CB-CG2 4.06Å; M391-I397 CarbonylContact O-C 3.59Å; M391-I397 WeakPolarHBondContact O-CA 3.35Å; I397-A541 HydrophobicContact CD1-CB 4.49Å; I397-E544 HydrophobicContact CD1-CG 4.35Å; I397-E544 WeakPolarHBondContact CD1-OE2 3.39Å; I397-L545 HydrophobicContact CD1-CD2 4.42Å; I397-L545 HydrophobicContact CG2-CD2 4.3Å
398	H	94.5	Very high	91.2	Very high	20 Å²	20	43 Å²	43	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.4	177	-61	-82.5	0	0	0	109.6	H390 M391 F393 Q396 F411	H390-H398 CarbonylContact C-O 3.44Å; H390-H398 VanDerWaalsContact CA-O 3.23Å; H390-H398 WeakPolarHBondContact CA-O 3.44Å; M391-H398 HydrophobicContact CE-CB 4.31Å; M391-H398 PolarHBondContact N-O 3.4Å; M391-H398 PolarHBondContact O-N 3.11Å; F393-H398 AromaticContact CD1-CD2 3.62Å; F393-H398 AromaticContact CD2-NE2 3.84Å; F393-H398 HydrophobicContact CE1-CB 4.22Å; F393-H398 AromaticContact CE1-CD2 3.25Å; F393-H398 WeakPolarHBondContact CE1-CD2 3.28Å; F393-H398 AromaticContact CE1-CG 3.77Å; F393-H398 AromaticContact CE1-NE2 3.82Å; F393-H398 AromaticContact CE2-CD2 3.81Å; F393-H398 AromaticContact CE2-NE2 3.44Å; F393-H398 WeakPolarHBondContact CE2-NE2 3.19Å; F393-H398 AromaticContact CZ-CD2 3.35Å; F393-H398 WeakPolarHBondContact CZ-CD2 3.37Å; F393-H398 AromaticContact CZ-CE1 3.91Å; F393-H398 AromaticContact CZ-CG 3.8Å; F393-H398 AromaticContact CZ-NE2 3.42Å; F393-H398 WeakPolarHBondContact CZ-NE2 3.12Å; Q396-H398 PolarHBondContact O-CD2 2.94Å; H398-F411 HydrophobicContact CB-CB 4.12Å
399	E	92.8	Very high	90.2	Very high	134 Å²	134	48.9 Å²	48.9	63%	0.626	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	132.5	176.5	-168.8	179.2	-179.8	0	0	110.7
400	A	91.9	Very high	89.4	Confident	8 Å²	8	52.3 Å²	52.3	7%	0.066	29%	0.293	C	S	.	.			trans	-96.2	155.3	174.7	0	0	0	0	0	111.2	V388 A389 M391 T402 F411	V388-A400 HydrophobicContact CG1-CB 4.3Å; A389-A400 WeakPolarHBondContact O-CB 3.23Å; A389-A400 PolarHBondContact O-N 3.33Å; M391-A400 HydrophobicContact CE-CB 3.85Å; A400-T402 PolarHBondContact O-N 3.01Å; A400-T402 VanDerWaalsContact O-N 3.14Å; A400-F411 HydrophobicContact CB-CD1 4.41Å; A400-F411 HydrophobicContact CB-CE1 4.37Å
401	D	91.6	Very high	88.9	Confident	25 Å²	25	52 Å²	52	13%	0.134	29%	0.292	C	S	.	.			trans	-73.9	108	174.3	-174.4	-2.6	0	0	0	111.3	T403 Q406 S407 G408	D401-T403 WeakPolarHBondContact OD1-CB 3.25Å; D401-T403 PolarHBondContact OD1-N 2.87Å; D401-T403 PolarHBondContact OD1-OG1 2.91Å; D401-T403 PolarHBondContact OD2-OG1 2.98Å; D401-Q406 PolarHBondContact O-NE2 3.15Å; D401-Q406 WeakPolarHBondContact OD2-CA 3.4Å; D401-S407 PolarHBondContact OD2-N 3.23Å; D401-G408 VanDerWaalsContact CG-CA 3.49Å; D401-G408 VanDerWaalsContact CG-N 3.3Å; D401-G408 PolarHBondContact OD1-N 2.92Å; D401-G408 WeakPolarHBondContact OD2-CA 2.99Å; D401-G408 PolarHBondContact OD2-N 3.17Å
402	T	91.1	Very high	88.3	Confident	31 Å²	31	55.7 Å²	55.7	19%	0.19	31%	0.311	C	S	.	.			trans	-89.7	-4	180	60.3	0	0	0	0	113.9	Q383 A389 A400 P594	Q383-T402 PolarHBondContact NE2-O 3.38Å; A389-T402 HydrophobicContact CB-CG2 4.13Å; A400-T402 PolarHBondContact O-N 3.01Å; A400-T402 VanDerWaalsContact O-N 3.14Å; T402-P594 HydrophobicContact CG2-CB 4.17Å; T402-P594 WeakPolarHBondContact O-CG 3.37Å
403	T	88.8	Confident	87.9	Confident	24 Å²	24	59.1 Å²	59.1	15%	0.147	33%	0.326	C	S	.	.			trans	-74	143.6	-175.6	64.6	0	0	0	0	112.4	D401 N405 Q406 S407 L443 A597	D401-T403 WeakPolarHBondContact OD1-CB 3.25Å; D401-T403 PolarHBondContact OD1-N 2.87Å; D401-T403 PolarHBondContact OD1-OG1 2.91Å; D401-T403 PolarHBondContact OD2-OG1 2.98Å; T403-N405 PolarHBondContact O-N 2.9Å; T403-Q406 PolarHBondContact O-N 2.77Å; T403-Q406 PolarHBondContact O-NE2 3Å; T403-Q406 WeakPolarHBondContact OG1-CA 3.37Å; T403-Q406 PolarHBondContact OG1-N 3.49Å; T403-S407 PolarHBondContact OG1-N 3.31Å; T403-S407 PolarHBondContact OG1-OG 3.33Å; T403-L443 WeakPolarHBondContact O-CD1 3.4Å; T403-A597 HydrophobicContact CG2-CB 4.2Å
404	E	86.1	Confident	87.6	Confident	57 Å²	57	64.6 Å²	64.6	27%	0.266	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.8	-176.9	65.1	-178.9	143.9	0	0	114.4
405	N	84.1	Confident	87.6	Confident	101 Å²	101	64.2 Å²	64.2	54%	0.54	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	2.7	-178.3	63	-35.3	0	0	0	113.1	T403 S407	T403-N405 PolarHBondContact O-N 2.9Å; N405-S407 PolarHBondContact ND2-OG 2.66Å; N405-S407 PolarHBondContact OD1-OG 3.17Å
406	Q	84.1	Confident	87.6	Confident	64 Å²	64	62.7 Å²	62.7	30%	0.299	36%	0.358	S	S	.	.			trans	58.2	50.4	178.1	-63.8	-67.5	-66.1	0	0	113.9	D401 T403 L443 L462	D401-Q406 PolarHBondContact O-NE2 3.15Å; D401-Q406 WeakPolarHBondContact OD2-CA 3.4Å; T403-Q406 PolarHBondContact O-N 2.77Å; T403-Q406 PolarHBondContact O-NE2 3Å; T403-Q406 WeakPolarHBondContact OG1-CA 3.37Å; T403-Q406 PolarHBondContact OG1-N 3.49Å; Q406-L443 HydrophobicContact CG-CD1 4.05Å; Q406-L462 HydrophobicContact CG-CD1 4.13Å; Q406-L462 HydrophobicContact CG-CD2 4.4Å
407	S	82	Confident	87.6	Confident	79 Å²	79	57 Å²	57	55%	0.552	33%	0.332	S	S	*	.			trans	-97.1	-1.2	178.3	53.2	0	0	0	0	114.5	D401 T403 N405	D401-S407 PolarHBondContact OD2-N 3.23Å; T403-S407 PolarHBondContact OG1-N 3.31Å; T403-S407 PolarHBondContact OG1-OG 3.33Å; N405-S407 PolarHBondContact ND2-OG 2.66Å; N405-S407 PolarHBondContact OD1-OG 3.17Å
408	G	76.5	Confident	87.7	Confident	39 Å²	39	54.6 Å²	54.6	40%	0.402	32%	0.319	S	S	.	.	S	Bend	trans	-81.6	-176.8	-179.4	0	0	0	0	0	113.6	D401	D401-G408 VanDerWaalsContact CG-CA 3.49Å; D401-G408 VanDerWaalsContact CG-N 3.3Å; D401-G408 PolarHBondContact OD1-N 2.92Å; D401-G408 WeakPolarHBondContact OD2-CA 2.99Å; D401-G408 PolarHBondContact OD2-N 3.17Å
409	V	75.4	Confident	87.7	Confident	128 Å²	128	58 Å²	58	78%	0.776	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-84.4	136.1	179.8	-177	0	0	0	0	109.6
410	S	75	Confident	87.8	Confident	73 Å²	73	51.7 Å²	51.7	51%	0.51	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-79.5	140.6	171.5	-177.1	0	0	0	0	110.3	K413	S410-K413 VanDerWaalsContact OG-CE 3.27Å; S410-K413 WeakPolarHBondContact OG-CE 3.46Å; S410-K413 PolarHBondContact OG-NZ 2.84Å
411	F	86.9	Confident	88	Confident	23 Å²	23	51.3 Å²	51.3	10%	0.101	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-78.4	170	167.9	63.1	-80.6	0	0	0	112	M391 H398 A400 K413 W418 C463	M391-F411 HydrophobicContact CE-CD1 3.59Å; M391-F411 HydrophobicContact CE-CD2 3.82Å; M391-F411 HydrophobicContact CE-CE1 3.52Å; M391-F411 HydrophobicContact CE-CE2 3.73Å; M391-F411 HydrophobicContact CE-CG 3.76Å; M391-F411 HydrophobicContact CE-CZ 3.58Å; M391-F411 HydrophobicContact SD-CE1 4.3Å; M391-F411 HydrophobicContact SD-CE2 4.04Å; M391-F411 HydrophobicContact SD-CZ 3.85Å; H398-F411 HydrophobicContact CB-CB 4.12Å; A400-F411 HydrophobicContact CB-CD1 4.41Å; A400-F411 HydrophobicContact CB-CE1 4.37Å; F411-K413 HydrophobicContact CD2-CG 4.49Å; F411-K413 HydrophobicContact CE2-CG 4.16Å; F411-K413 HydrophobicContact CZ-CG 4.47Å; F411-K413 PolarHBondContact O-N 3.42Å; F411-W418 AromaticContact CE2-CD2 3.79Å; F411-W418 HydrophobicContact CE2-CD2 3.79Å; F411-W418 AromaticContact CE2-CE2 3.67Å; F411-W418 AromaticContact CE2-CE3 3.91Å; F411-W418 HydrophobicContact CE2-CE3 3.91Å; F411-W418 HydrophobicContact CE2-CG 4.5Å; F411-W418 AromaticContact CE2-CH2 3.84Å; F411-W418 HydrophobicContact CE2-CH2 3.84Å; F411-W418 AromaticContact CE2-CZ2 3.71Å; F411-W418 HydrophobicContact CE2-CZ2 3.71Å; F411-W418 AromaticContact CE2-CZ3 3.95Å; F411-W418 HydrophobicContact CE2-CZ3 3.95Å; F411-W418 HydrophobicContact CZ-CD2 4.46Å; F411-W418 AromaticContact CZ-CE2 3.96Å; F411-W418 AromaticContact CZ-CH2 3.6Å; F411-W418 HydrophobicContact CZ-CH2 3.6Å; F411-W418 AromaticContact CZ-CZ2 3.52Å; F411-W418 HydrophobicContact CZ-CZ2 3.52Å; F411-W418 HydrophobicContact CZ-CZ3 4.12Å; F411-C463 HydrophobicContact CZ-CB 4.49Å
412	D	82.9	Confident	88.2	Confident	77 Å²	77	50.3 Å²	50.3	41%	0.412	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-68.7	124.6	177.3	-178.3	17.7	0	0	0	111.6	T414	D412-T414 WeakPolarHBondContact OD1-CB 3.39Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.36Å; D412-T414 PolarHBondContact OD1-N 2.92Å; D412-T414 PolarHBondContact OD1-OG1 3.18Å; D412-T414 PolarHBondContact OD2-OG1 3.37Å
413	K	88.3	Confident	88.5	Confident	79 Å²	79	50.8 Å²	50.8	34%	0.343	30%	0.298	S	S	.	.			trans	-109.2	4	-179.1	-63.6	171	-174.5	166	0	112.7	S410 F411	S410-K413 VanDerWaalsContact OG-CE 3.27Å; S410-K413 WeakPolarHBondContact OG-CE 3.46Å; S410-K413 PolarHBondContact OG-NZ 2.84Å; F411-K413 HydrophobicContact CD2-CG 4.49Å; F411-K413 HydrophobicContact CE2-CG 4.16Å; F411-K413 HydrophobicContact CZ-CG 4.47Å; F411-K413 PolarHBondContact O-N 3.42Å
414	T	90.3	Very high	88.9	Confident	117 Å²	117	49.7 Å²	49.7	72%	0.718	29%	0.292	S	S	*	.			trans	-86.7	-25.4	-171.3	64.8	0	0	0	0	113.5	D412	D412-T414 WeakPolarHBondContact OD1-CB 3.39Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.36Å; D412-T414 PolarHBondContact OD1-N 2.92Å; D412-T414 PolarHBondContact OD1-OG1 3.18Å; D412-T414 PolarHBondContact OD2-OG1 3.37Å
415	S	93.8	Very high	89.4	Confident	14 Å²	14	47 Å²	47	10%	0.098	28%	0.279	C	S	.	.			trans	-61.6	136.3	-180	179.3	0	0	0	0	112.1	D394 T417 W418 L419	D394-S415 WeakPolarHBondContact OD2-CB 3.38Å; D394-S415 PolarHBondContact OD2-OG 3.37Å; S415-T417 PolarHBondContact O-N 2.99Å; S415-T417 PolarHBondContact OG-N 3.43Å; S415-T417 PolarHBondContact OG-OG1 3.24Å; S415-W418 WeakPolarHBondContact O-CB 3.31Å; S415-W418 PolarHBondContact O-N 3.37Å; S415-W418 VanDerWaalsContact O-N 3.16Å; S415-L419 PolarHBondContact O-N 2.77Å
416	A	93.7	Very high	89.9	Confident	50 Å²	50	42.2 Å²	42.2	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-27.9	172.5	0	0	0	0	0	112.1	L419 A420	A416-L419 PolarHBondContact O-N 3.47Å; A416-A420 PolarHBondContact O-N 2.88Å
417	T	95.5	Very high	90.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-41.3	175.5	-48.4	0	0	0	0	111	F393 D394 S415 L419 A420 L421 L522 H524 G525 V586	F393-T417 HydrophobicContact CB-CG2 3.87Å; F393-T417 HydrophobicContact CD2-CG2 4.35Å; F393-T417 HydrophobicContact CG-CG2 4.5Å; D394-T417 WeakPolarHBondContact OD1-CB 3.4Å; D394-T417 WeakPolarHBondContact OD1-CG2 3.32Å; D394-T417 PolarHBondContact OD1-OG1 3.23Å; S415-T417 PolarHBondContact O-N 2.99Å; S415-T417 PolarHBondContact OG-N 3.43Å; S415-T417 PolarHBondContact OG-OG1 3.24Å; T417-L419 VanDerWaalsContact C-N 3.35Å; T417-L419 PolarHBondContact O-N 2.82Å; T417-A420 WeakPolarHBondContact O-CB 3.26Å; T417-A420 PolarHBondContact O-N 3.09Å; T417-L421 WeakPolarHBondContact O-CB 3.33Å; T417-L421 PolarHBondContact O-N 3.38Å; T417-L522 HydrophobicContact CG2-CB 4.29Å; T417-L522 HydrophobicContact CG2-CD2 4.17Å; T417-L522 HydrophobicContact CG2-CG 4.25Å; T417-L522 WeakPolarHBondContact CG2-O 2.96Å; T417-H524 WeakPolarHBondContact OG1-CA 3.42Å; T417-H524 PolarHBondContact OG1-N 3.36Å; T417-H524 VanDerWaalsContact OG1-N 3.08Å; T417-G525 PolarHBondContact OG1-N 3.16Å; T417-V586 HydrophobicContact CG2-CG1 4.16Å
418	W	95.7	Very high	91.2	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-40.5	173.2	169.1	-112.2	0	0	0	112.2	M391 F393 F411 S415 A420 L421 S422 I460 C463	M391-W418 HydrophobicContact CG-CZ3 4.45Å; M391-W418 HydrophobicContact SD-CE3 4.24Å; M391-W418 HydrophobicContact SD-CH2 3.69Å; M391-W418 HydrophobicContact SD-CZ3 3.32Å; M391-W418 WeakPolarHBondContact SD-CZ3 3.37Å; F393-W418 HydrophobicContact CD1-CE3 4.48Å; F393-W418 AromaticContact CE1-CE3 3.96Å; F393-W418 HydrophobicContact CE1-CE3 3.96Å; F393-W418 HydrophobicContact CE2-CB 4.07Å; F393-W418 HydrophobicContact CZ-CB 3.99Å; F393-W418 HydrophobicContact CZ-CE3 4.44Å; F411-W418 AromaticContact CE2-CD2 3.79Å; F411-W418 HydrophobicContact CE2-CD2 3.79Å; F411-W418 AromaticContact CE2-CE2 3.67Å; F411-W418 AromaticContact CE2-CE3 3.91Å; F411-W418 HydrophobicContact CE2-CE3 3.91Å; F411-W418 HydrophobicContact CE2-CG 4.5Å; F411-W418 AromaticContact CE2-CH2 3.84Å; F411-W418 HydrophobicContact CE2-CH2 3.84Å; F411-W418 AromaticContact CE2-CZ2 3.71Å; F411-W418 HydrophobicContact CE2-CZ2 3.71Å; F411-W418 AromaticContact CE2-CZ3 3.95Å; F411-W418 HydrophobicContact CE2-CZ3 3.95Å; F411-W418 HydrophobicContact CZ-CD2 4.46Å; F411-W418 AromaticContact CZ-CE2 3.96Å; F411-W418 AromaticContact CZ-CH2 3.6Å; F411-W418 HydrophobicContact CZ-CH2 3.6Å; F411-W418 AromaticContact CZ-CZ2 3.52Å; F411-W418 HydrophobicContact CZ-CZ2 3.52Å; F411-W418 HydrophobicContact CZ-CZ3 4.12Å; S415-W418 WeakPolarHBondContact O-CB 3.31Å; S415-W418 PolarHBondContact O-N 3.37Å; S415-W418 VanDerWaalsContact O-N 3.16Å; W418-A420 VanDerWaalsContact C-N 3.27Å; W418-A420 PolarHBondContact O-N 3.25Å; W418-L421 HydrophobicContact CE3-CB 4.31Å; W418-L421 HydrophobicContact CE3-CD2 4.18Å; W418-L421 HydrophobicContact CZ3-CD2 4.22Å; W418-L421 HydrophobicContact CZ3-CG 4.47Å; W418-L421 PolarHBondContact O-N 3.06Å; W418-S422 VanDerWaalsContact O-CB 3.31Å; W418-S422 WeakPolarHBondContact O-CB 3.32Å; W418-S422 PolarHBondContact O-N 3.18Å; W418-S422 PolarHBondContact O-OG 2.78Å; W418-I460 HydrophobicContact CH2-CD1 4.14Å; W418-I460 HydrophobicContact CZ2-CD1 4.49Å; W418-C463 HydrophobicContact CZ2-CB 4.14Å
419	L	94.3	Very high	92.1	Very high	92 Å²	92	33.6 Å²	33.6	48%	0.482	19%	0.194	S	C	.	.	H	α-helix	trans	-63.8	-33.1	175.9	-63.9	175.9	0	0	0	112.2	S415 A416 T417 S422 R423	S415-L419 PolarHBondContact O-N 2.77Å; A416-L419 PolarHBondContact O-N 3.47Å; T417-L419 VanDerWaalsContact C-N 3.35Å; T417-L419 PolarHBondContact O-N 2.82Å; L419-S422 WeakPolarHBondContact CA-OG 3.4Å; L419-S422 PolarHBondContact O-OG 2.85Å; L419-R423 WeakPolarHBondContact O-CB 3.41Å; L419-R423 VanDerWaalsContact O-CG 3.22Å; L419-R423 WeakPolarHBondContact O-CG 3.48Å; L419-R423 PolarHBondContact O-N 2.88Å; L419-R423 PolarHBondContact O-NE 3.22Å; L419-R423 VanDerWaalsContact O-NE 3.09Å
420	A	95.3	Very high	92.9	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-69.7	-48.3	170.5	0	0	0	0	0	111.3	A416 T417 W418 S422 R423 I424 L522 V586	A416-A420 PolarHBondContact O-N 2.88Å; T417-A420 WeakPolarHBondContact O-CB 3.26Å; T417-A420 PolarHBondContact O-N 3.09Å; W418-A420 VanDerWaalsContact C-N 3.27Å; W418-A420 PolarHBondContact O-N 3.25Å; A420-S422 PolarHBondContact O-N 3.38Å; A420-R423 WeakPolarHBondContact O-CB 3.48Å; A420-R423 PolarHBondContact O-N 2.78Å; A420-I424 VanDerWaalsContact O-CG1 3.31Å; A420-I424 WeakPolarHBondContact O-CG1 3.47Å; A420-I424 PolarHBondContact O-N 3.18Å; A420-L522 HydrophobicContact CB-CD2 3.5Å; A420-L522 VanDerWaalsContact CB-CD2 3.5Å; A420-V586 HydrophobicContact CB-CG1 3.86Å
421	L	97.1	Very high	93.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-47.8	-177.6	-172.9	56.4	0	0	0	112.3	F393 T417 W418 R423 I424 A425 F555 V586 I589	F393-L421 HydrophobicContact CB-CD2 4.34Å; F393-L421 HydrophobicContact CD1-CD2 3.9Å; F393-L421 HydrophobicContact CG-CD2 4.45Å; T417-L421 WeakPolarHBondContact O-CB 3.33Å; T417-L421 PolarHBondContact O-N 3.38Å; W418-L421 HydrophobicContact CE3-CB 4.31Å; W418-L421 HydrophobicContact CE3-CD2 4.18Å; W418-L421 HydrophobicContact CZ3-CD2 4.22Å; W418-L421 HydrophobicContact CZ3-CG 4.47Å; W418-L421 PolarHBondContact O-N 3.06Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 2.85Å; L421-I424 PolarHBondContact O-N 3.28Å; L421-A425 PolarHBondContact O-N 2.82Å; L421-F555 HydrophobicContact CD1-CB 3.54Å; L421-F555 HydrophobicContact CD1-CD2 4.16Å; L421-F555 HydrophobicContact CD1-CG 3.87Å; L421-V586 HydrophobicContact CB-CG1 3.79Å; L421-V586 HydrophobicContact CD1-CG1 4.24Å; L421-I589 HydrophobicContact CD1-CD1 4.16Å; L421-I589 HydrophobicContact CD1-CG1 4.22Å; L421-I589 HydrophobicContact CD2-CD1 4.37Å; L421-I589 HydrophobicContact CD2-CG1 4.14Å; L421-I589 HydrophobicContact CG-CD1 4.09Å; L421-I589 HydrophobicContact CG-CG1 4.31Å
422	S	96.2	Very high	93.9	Very high	3 Å²	3	33 Å²	33	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-38.1	177.6	55.6	0	0	0	0	112.7	W418 L419 A420 A425 G426 C464	W418-S422 VanDerWaalsContact O-CB 3.31Å; W418-S422 WeakPolarHBondContact O-CB 3.32Å; W418-S422 PolarHBondContact O-N 3.18Å; W418-S422 PolarHBondContact O-OG 2.78Å; L419-S422 WeakPolarHBondContact CA-OG 3.4Å; L419-S422 PolarHBondContact O-OG 2.85Å; A420-S422 PolarHBondContact O-N 3.38Å; S422-A425 PolarHBondContact O-N 3.32Å; S422-G426 PolarHBondContact O-N 3.03Å; S422-C464 VanDerWaalsContact CB-SG 3.52Å
423	R	95.6	Very high	94.3	Very high	42 Å²	42	31.8 Å²	31.8	16%	0.158	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-47.1	172	-78.9	-176.2	-63.1	171.3	1.9	111.4	L419 A420 L421 A425 G426 L427 M470 Y474	L419-R423 WeakPolarHBondContact O-CB 3.41Å; L419-R423 VanDerWaalsContact O-CG 3.22Å; L419-R423 WeakPolarHBondContact O-CG 3.48Å; L419-R423 PolarHBondContact O-N 2.88Å; L419-R423 PolarHBondContact O-NE 3.22Å; L419-R423 VanDerWaalsContact O-NE 3.09Å; A420-R423 WeakPolarHBondContact O-CB 3.48Å; A420-R423 PolarHBondContact O-N 2.78Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 2.85Å; R423-A425 PolarHBondContact O-N 2.88Å; R423-G426 PolarHBondContact O-N 3.16Å; R423-L427 VanDerWaalsContact O-CB 3.3Å; R423-L427 WeakPolarHBondContact O-CB 3.35Å; R423-L427 WeakPolarHBondContact O-CG 3.34Å; R423-L427 PolarHBondContact O-N 3.41Å; R423-M470 HydrophobicContact CG-SD 4.45Å; R423-Y474 PolarHBondContact NH1-OH 2.77Å; R423-Y474 VanDerWaalsContact NH1-OH 3.11Å
424	I	97.4	Very high	94.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-47.7	178.9	-59	163	0	0	0	110	A420 L421 G426 L427 C428 V506 F555 H557 V586	A420-I424 VanDerWaalsContact O-CG1 3.31Å; A420-I424 WeakPolarHBondContact O-CG1 3.47Å; A420-I424 PolarHBondContact O-N 3.18Å; L421-I424 PolarHBondContact O-N 3.28Å; I424-G426 VanDerWaalsContact C-N 3.32Å; I424-G426 PolarHBondContact O-N 2.85Å; I424-L427 PolarHBondContact O-N 3.44Å; I424-C428 HydrophobicContact CG2-CB 4.44Å; I424-C428 VanDerWaalsContact O-CB 3.28Å; I424-C428 WeakPolarHBondContact O-CB 3.25Å; I424-C428 PolarHBondContact O-N 3.1Å; I424-V506 HydrophobicContact CB-CG1 4.45Å; I424-V506 HydrophobicContact CG1-CB 4.42Å; I424-V506 HydrophobicContact CG1-CG1 3.93Å; I424-V506 HydrophobicContact CG2-CB 4.07Å; I424-V506 HydrophobicContact CG2-CG1 4.45Å; I424-F555 HydrophobicContact CB-CD1 4.34Å; I424-F555 HydrophobicContact CD1-CB 4.48Å; I424-F555 HydrophobicContact CG2-CB 4.07Å; I424-F555 HydrophobicContact CG2-CD1 3.68Å; I424-F555 HydrophobicContact CG2-CG 4.36Å; I424-H557 HydrophobicContact CD1-CB 3.84Å; I424-H557 HydrophobicContact CG1-CB 4.07Å; I424-V586 HydrophobicContact CD1-CB 3.77Å; I424-V586 HydrophobicContact CD1-CG1 4.17Å; I424-V586 HydrophobicContact CD1-CG2 3.52Å
425	A	96.9	Very high	94.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-34.4	179.4	0	0	0	0	0	113.4	L421 S422 R423 N429 L456 I460 F555 I589	L421-A425 PolarHBondContact O-N 2.82Å; S422-A425 PolarHBondContact O-N 3.32Å; R423-A425 PolarHBondContact O-N 2.88Å; A425-N429 VanDerWaalsContact O-CB 3.3Å; A425-N429 WeakPolarHBondContact O-CB 3.4Å; A425-N429 PolarHBondContact O-ND2 2.94Å; A425-L456 HydrophobicContact CB-CD2 4.34Å; A425-I460 HydrophobicContact CB-CD1 3.93Å; A425-I460 HydrophobicContact CB-CG1 3.89Å; A425-F555 HydrophobicContact CB-CE1 4.18Å; A425-I589 HydrophobicContact CB-CD1 4.03Å
426	G	96	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-75.2	-42.4	175.9	0	0	0	0	0	113.6	S422 R423 I424 R471	S422-G426 PolarHBondContact O-N 3.03Å; R423-G426 PolarHBondContact O-N 3.16Å; I424-G426 VanDerWaalsContact C-N 3.32Å; I424-G426 PolarHBondContact O-N 2.85Å; G426-R471 PolarHBondContact O-NE 2.85Å; G426-R471 PolarHBondContact O-NH2 2.91Å; G426-R471 VanDerWaalsContact O-NH2 3.16Å
427	L	96.8	Very high	93.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-83.2	-47.4	-174.2	-65.1	-178.8	0	0	0	113.5	R423 I424 N429 M470 R471 Y474 L504 V506	R423-L427 VanDerWaalsContact O-CB 3.3Å; R423-L427 WeakPolarHBondContact O-CB 3.35Å; R423-L427 WeakPolarHBondContact O-CG 3.34Å; R423-L427 PolarHBondContact O-N 3.41Å; I424-L427 PolarHBondContact O-N 3.44Å; L427-N429 PolarHBondContact O-N 2.97Å; L427-M470 HydrophobicContact CD2-CG 4.31Å; L427-R471 HydrophobicContact CD2-CG 4.09Å; L427-Y474 HydrophobicContact CD1-CD1 4.14Å; L427-Y474 HydrophobicContact CD1-CD2 4.36Å; L427-Y474 HydrophobicContact CD1-CG 3.86Å; L427-Y474 HydrophobicContact CD2-CG 4.33Å; L427-L504 HydrophobicContact CD1-CD2 4.35Å; L427-V506 HydrophobicContact CB-CG2 4.29Å
428	C	96.5	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-81.2	54.5	-179.2	-160.3	0	0	0	0	110.4	I424 Q489 V506 K508	I424-C428 HydrophobicContact CG2-CB 4.44Å; I424-C428 VanDerWaalsContact O-CB 3.28Å; I424-C428 WeakPolarHBondContact O-CB 3.25Å; I424-C428 PolarHBondContact O-N 3.1Å; C428-Q489 PolarHBondContact SG-O 3.35Å; C428-V506 HydrophobicContact CB-CB 4.27Å; C428-V506 HydrophobicContact CB-CG2 3.76Å; C428-K508 VanDerWaalsContact O-CD 3.28Å; C428-K508 WeakPolarHBondContact O-CD 3.23Å; C428-K508 WeakPolarHBondContact O-CE 3.38Å; C428-K508 PolarHBondContact O-NZ 3.47Å
429	N	94.9	Very high	92.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.272	C	S	.	.			trans	-153	134.7	-171.2	-174.3	-27.7	0	0	0	110.3	A425 L427 A431 E453 L456 R471	A425-N429 VanDerWaalsContact O-CB 3.3Å; A425-N429 WeakPolarHBondContact O-CB 3.4Å; A425-N429 PolarHBondContact O-ND2 2.94Å; L427-N429 PolarHBondContact O-N 2.97Å; N429-A431 VanDerWaalsContact OD1-CB 3.25Å; N429-A431 WeakPolarHBondContact OD1-CB 3.25Å; N429-A431 PolarHBondContact OD1-N 3.33Å; N429-E453 WeakPolarHBondContact CA-OE1 3.23Å; N429-E453 PolarHBondContact ND2-O 3.2Å; N429-E453 WeakPolarHBondContact OD1-CB 3.24Å; N429-L456 WeakPolarHBondContact ND2-CB 3.34Å; N429-R471 PolarHBondContact O-NH2 3Å; N429-R471 VanDerWaalsContact O-NH2 3.12Å
430	R	91.2	Very high	92	Very high	139 Å²	139	52.3 Å²	52.3	53%	0.525	27%	0.268	S	S	.	.			trans	-99.7	-10.1	-178.7	-59.6	169.9	69.8	-161.3	1	113.1	E453	R430-E453 WeakPolarHBondContact CB-OE2 3.23Å; R430-E453 PolarHBondContact N-OE1 3.26Å; R430-E453 VanDerWaalsContact N-OE1 3.09Å; R430-E453 PolarHBondContact N-OE2 2.59Å; R430-E453 VanDerWaalsContact N-OE2 3.13Å
431	A	90.9	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.			trans	-63.7	139.2	178.9	0	0	0	0	0	112.2	N429 V447 A448 E453 L457 R471	N429-A431 VanDerWaalsContact OD1-CB 3.25Å; N429-A431 WeakPolarHBondContact OD1-CB 3.25Å; N429-A431 PolarHBondContact OD1-N 3.33Å; A431-V447 HydrophobicContact CB-CG1 3.7Å; A431-A448 VanDerWaalsContact CA-O 3.28Å; A431-A448 WeakPolarHBondContact CA-O 3.29Å; A431-E453 HydrophobicContact CB-CB 3.78Å; A431-E453 PolarHBondContact N-OE2 2.78Å; A431-L457 HydrophobicContact CB-CB 4.18Å; A431-L457 HydrophobicContact CB-CD2 4.02Å; A431-R471 PolarHBondContact O-NH1 3.17Å; A431-R471 PolarHBondContact O-NH2 3.23Å
432	V	91.8	Very high	91.6	Very high	74 Å²	74	57.8 Å²	57.8	45%	0.448	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.8	176.3	-66.5	0	0	0	0	111.2	V447 A448	V432-V447 CarbonylContact O-C 3.55Å; V432-V447 WeakPolarHBondContact O-CA 3.25Å; V432-V447 WeakPolarHBondContact O-CG1 3.31Å; V432-A448 HydrophobicContact CG2-CB 4.13Å; V432-A448 PolarHBondContact N-O 3.27Å; V432-A448 PolarHBondContact O-N 3.31Å
433	F	92.3	Very high	91.4	Very high	50 Å²	50	58.2 Å²	58.2	22%	0.219	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	141.7	170.7	-65	-66.3	0	0	0	110.7	I442 R445 V447 L457 K458 E461	F433-I442 HydrophobicContact CZ-CG2 4.23Å; F433-R445 HydrophobicContact CD1-CB 3.56Å; F433-R445 HydrophobicContact CD1-CG 4.41Å; F433-R445 HydrophobicContact CE1-CB 3.72Å; F433-R445 HydrophobicContact CE1-CG 4.47Å; F433-V447 HydrophobicContact CD1-CG2 3.66Å; F433-V447 HydrophobicContact CE1-CG2 3.67Å; F433-L457 HydrophobicContact CD1-CD2 4.37Å; F433-L457 HydrophobicContact CD2-CD2 4.16Å; F433-L457 HydrophobicContact CE1-CD2 4.19Å; F433-L457 HydrophobicContact CE2-CD1 4.33Å; F433-L457 HydrophobicContact CE2-CD2 3.97Å; F433-L457 HydrophobicContact CE2-CG 3.98Å; F433-L457 HydrophobicContact CG-CD2 4.35Å; F433-L457 HydrophobicContact CZ-CD2 3.98Å; F433-L457 HydrophobicContact CZ-CG 3.98Å; F433-K458 HydrophobicContact CE1-CG 4.18Å; F433-K458 HydrophobicContact CZ-CG 4.32Å; F433-E461 HydrophobicContact CE2-CB 4.17Å; F433-E461 HydrophobicContact CE2-CG 3.77Å; F433-E461 HydrophobicContact CZ-CB 4.21Å; F433-E461 HydrophobicContact CZ-CG 4.06Å
434	Q	88.7	Confident	91	Very high	104 Å²	104	62.1 Å²	62.1	49%	0.486	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.6	161.5	172.7	-65.5	-175.9	-9.7	0	0	111.3	Q437 A446	Q434-Q437 HydrophobicContact CB-CG 4.17Å; Q434-Q437 WeakPolarHBondContact O-CG 3.44Å; Q434-A446 HydrophobicContact CB-CB 4.41Å; Q434-A446 HydrophobicContact CG-CB 4.26Å; Q434-A446 PolarHBondContact N-O 2.74Å; Q434-A446 VanDerWaalsContact N-O 3.08Å
435	A	84.9	Confident	90.7	Very high	83 Å²	83	64.2 Å²	64.2	69%	0.686	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	152	176.8	0	0	0	0	0	111.9	Q437	A435-Q437 VanDerWaalsContact C-N 3.35Å; A435-Q437 PolarHBondContact O-N 3.09Å
436	N	84.2	Confident	90.3	Very high	160 Å²	160	65.9 Å²	65.9	86%	0.856	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	26.2	177	-54.7	-34.2	0	0	0	116.1
437	Q	84.9	Confident	89.9	Confident	36 Å²	36	67.2 Å²	67.2	17%	0.168	35%	0.351	C	S	.	.			trans	-97.9	3.5	-179.5	-62.8	-71.6	-50.2	0	0	114	Q434 A435 N439 L440 R445	Q434-Q437 HydrophobicContact CB-CG 4.17Å; Q434-Q437 WeakPolarHBondContact O-CG 3.44Å; A435-Q437 VanDerWaalsContact C-N 3.35Å; A435-Q437 PolarHBondContact O-N 3.09Å; Q437-N439 PolarHBondContact O-N 2.78Å; Q437-L440 PolarHBondContact O-N 3.24Å; Q437-L440 VanDerWaalsContact OE1-CD1 3.25Å; Q437-R445 HydrophobicContact CB-CB 4.15Å; Q437-R445 HydrophobicContact CB-CG 4.04Å; Q437-R445 WeakPolarHBondContact O-CD 3.44Å; Q437-R445 PolarHBondContact O-NE 2.92Å; Q437-R445 VanDerWaalsContact O-NE 3.12Å
438	E	84.6	Confident	89.4	Confident	163 Å²	163	69.5 Å²	69.5	76%	0.762	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.2	-170.5	-65.8	177.2	-177.3	0	0	113.5	L440 R445	E438-L440 VanDerWaalsContact C-N 3.26Å; E438-L440 PolarHBondContact O-N 3.35Å; E438-R445 PolarHBondContact O-NH2 2.78Å
439	N	87.9	Confident	88.6	Confident	165 Å²	165	71.3 Å²	71.3	88%	0.882	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.9	-179.7	-69.6	-21.2	0	0	0	114.2	Q437	Q437-N439 PolarHBondContact O-N 2.78Å
440	L	88.8	Confident	88	Confident	76 Å²	76	73.4 Å²	73.4	40%	0.398	40%	0.4	S	S	.	.	S	Bend	trans	-95.8	148.2	-179.6	-68.9	168.4	0	0	0	111	Q437 E438 R445	Q437-L440 PolarHBondContact O-N 3.24Å; Q437-L440 VanDerWaalsContact OE1-CD1 3.25Å; E438-L440 VanDerWaalsContact C-N 3.26Å; E438-L440 PolarHBondContact O-N 3.35Å; L440-R445 HydrophobicContact CB-CG 4.09Å; L440-R445 PolarHBondContact O-NE 3.47Å; L440-R445 PolarHBondContact O-NH2 2.8Å
441	P	91	Very high	87.7	Confident	79 Å²	79	68.5 Å²	68.5	51%	0.513	39%	0.389	S	S	.	.			trans	-56.2	138.9	171.4	-23.3	33.1	0	0	0	111.5	L443 K444 R445	P441-L443 PolarHBondContact O-N 2.61Å; P441-L443 VanDerWaalsContact O-N 3.1Å; P441-K444 WeakPolarHBondContact O-CA 3.48Å; P441-K444 PolarHBondContact O-N 2.96Å; P441-R445 WeakPolarHBondContact O-CG 3.22Å; P441-R445 PolarHBondContact O-N 3.27Å; P441-R445 VanDerWaalsContact O-N 3.16Å
442	I	92.4	Very high	87.7	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.195	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-47.3	-47.2	-173.5	-65.3	168.2	0	0	0	112.1	F433 K444 R445 K458 E461 L462	F433-I442 HydrophobicContact CZ-CG2 4.23Å; I442-K444 VanDerWaalsContact C-N 3.28Å; I442-K444 PolarHBondContact O-N 3.12Å; I442-R445 WeakPolarHBondContact O-CB 3.46Å; I442-R445 PolarHBondContact O-N 3.08Å; I442-K458 HydrophobicContact CG2-CB 4.44Å; I442-K458 HydrophobicContact CG2-CG 4.47Å; I442-E461 HydrophobicContact CD1-CG 4.05Å; I442-E461 HydrophobicContact CG1-CG 4.24Å; I442-E461 HydrophobicContact CG2-CB 3.97Å; I442-E461 HydrophobicContact CG2-CG 3.94Å; I442-L462 HydrophobicContact CD1-CB 4.48Å; I442-L462 HydrophobicContact CD1-CD1 4.19Å
443	L	90.9	Very high	87.7	Confident	11 Å²	11	65.7 Å²	65.7	6%	0.058	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-65.5	-27.8	-178.2	-67.4	-176	0	0	0	113.9	R385 T403 Q406 P441 K458	R385-L443 WeakPolarHBondContact CD-O 3.39Å; R385-L443 PolarHBondContact NH1-O 3.06Å; T403-L443 WeakPolarHBondContact O-CD1 3.4Å; Q406-L443 HydrophobicContact CG-CD1 4.05Å; P441-L443 PolarHBondContact O-N 2.61Å; P441-L443 VanDerWaalsContact O-N 3.1Å; L443-K458 HydrophobicContact CD2-CB 4.18Å; L443-K458 PolarHBondContact O-NZ 3.26Å
444	K	88.6	Confident	87.7	Confident	125 Å²	125	64.1 Å²	64.1	54%	0.543	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-92.5	-8.3	178.9	-66.8	-170.6	177	-173.9	0	113.6	P441 I442	P441-K444 WeakPolarHBondContact O-CA 3.48Å; P441-K444 PolarHBondContact O-N 2.96Å; I442-K444 VanDerWaalsContact C-N 3.28Å; I442-K444 PolarHBondContact O-N 3.12Å
445	R	91.2	Very high	87.9	Confident	45 Å²	45	59.3 Å²	59.3	17%	0.17	35%	0.345	C	S	.	.	S	Bend	trans	-63.6	139.7	176.9	-63.4	-178.5	-175.9	172.8	-4.9	111	F433 Q437 E438 L440 P441 I442 K458	F433-R445 HydrophobicContact CD1-CB 3.56Å; F433-R445 HydrophobicContact CD1-CG 4.41Å; F433-R445 HydrophobicContact CE1-CB 3.72Å; F433-R445 HydrophobicContact CE1-CG 4.47Å; Q437-R445 HydrophobicContact CB-CB 4.15Å; Q437-R445 HydrophobicContact CB-CG 4.04Å; Q437-R445 WeakPolarHBondContact O-CD 3.44Å; Q437-R445 PolarHBondContact O-NE 2.92Å; Q437-R445 VanDerWaalsContact O-NE 3.12Å; E438-R445 PolarHBondContact O-NH2 2.78Å; L440-R445 HydrophobicContact CB-CG 4.09Å; L440-R445 PolarHBondContact O-NE 3.47Å; L440-R445 PolarHBondContact O-NH2 2.8Å; P441-R445 WeakPolarHBondContact O-CG 3.22Å; P441-R445 PolarHBondContact O-N 3.27Å; P441-R445 VanDerWaalsContact O-N 3.16Å; I442-R445 WeakPolarHBondContact O-CB 3.46Å; I442-R445 PolarHBondContact O-N 3.08Å; R445-K458 WeakPolarHBondContact O-CE 3.39Å; R445-K458 PolarHBondContact O-NZ 3.4Å
446	A	87.5	Confident	88.5	Confident	34 Å²	34	55.4 Å²	55.4	28%	0.281	31%	0.312	S	S	.	.			trans	-70.7	135.1	171.8	0	0	0	0	0	110.5	Q434	Q434-A446 HydrophobicContact CB-CB 4.41Å; Q434-A446 HydrophobicContact CG-CB 4.26Å; Q434-A446 PolarHBondContact N-O 2.74Å; Q434-A446 VanDerWaalsContact N-O 3.08Å
447	V	87.8	Confident	89	Confident	28 Å²	28	48 Å²	48	17%	0.17	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.3	-177.6	-179.1	0	0	0	0	108.9	A431 V432 F433 S454 L457	A431-V447 HydrophobicContact CB-CG1 3.7Å; V432-V447 CarbonylContact O-C 3.55Å; V432-V447 WeakPolarHBondContact O-CA 3.25Å; V432-V447 WeakPolarHBondContact O-CG1 3.31Å; F433-V447 HydrophobicContact CD1-CG2 3.66Å; F433-V447 HydrophobicContact CE1-CG2 3.67Å; V447-S454 WeakPolarHBondContact CG1-OG 3.46Å; V447-L457 HydrophobicContact CG1-CD2 3.8Å; V447-L457 HydrophobicContact CG2-CD2 4.22Å
448	A	85.6	Confident	89.5	Confident	48 Å²	48	47.2 Å²	47.2	40%	0.397	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	111.1	167.2	0	0	0	0	0	108.4	A431 V432	A431-A448 VanDerWaalsContact CA-O 3.28Å; A431-A448 WeakPolarHBondContact CA-O 3.29Å; V432-A448 HydrophobicContact CG2-CB 4.13Å; V432-A448 PolarHBondContact N-O 3.27Å; V432-A448 PolarHBondContact O-N 3.31Å
449	G	81.4	Confident	90	Very high	39 Å²	39	40.2 Å²	40.2	40%	0.402	24%	0.238	S	C	.	.	S	Bend	trans	155.5	173.9	-176.2	0	0	0	0	0	110.6
450	D	82.1	Confident	90.4	Very high	45 Å²	45	32.4 Å²	32.4	24%	0.241	20%	0.196	C	C	.	.			trans	-71.1	165.8	173.9	74.2	59.3	0	0	0	111.9	S452 E453 S454	D450-S452 VanDerWaalsContact C-N 3.34Å; D450-S452 PolarHBondContact O-N 3.28Å; D450-S452 WeakPolarHBondContact OD1-CA 3.48Å; D450-S452 WeakPolarHBondContact OD1-CB 3.28Å; D450-S452 PolarHBondContact OD1-N 2.96Å; D450-E453 PolarHBondContact O-N 2.84Å; D450-E453 PolarHBondContact OD1-N 2.72Å; D450-E453 WeakPolarHBondContact OD2-CG 3.47Å; D450-S454 VanDerWaalsContact O-CB 3.24Å; D450-S454 WeakPolarHBondContact O-CB 3.47Å; D450-S454 PolarHBondContact O-N 2.97Å; D450-S454 PolarHBondContact O-OG 3.42Å
451	A	84.8	Confident	90.7	Very high	35 Å²	35	30.3 Å²	30.3	29%	0.289	18%	0.184	S	C	.	.	H	α-helix	trans	-62.4	-37.6	-175.9	0	0	0	0	0	113.1	M386 S454 A455	M386-A451 HydrophobicContact CB-CB 4.04Å; A451-S454 PolarHBondContact O-N 3.48Å; A451-A455 WeakPolarHBondContact O-CB 3.44Å; A451-A455 PolarHBondContact O-N 3.46Å
452	S	89.8	Confident	90.8	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-71.2	-44.6	-179.8	-65.2	0	0	0	0	111.6	D450 S454 A455 L456 M591	D450-S452 VanDerWaalsContact C-N 3.34Å; D450-S452 PolarHBondContact O-N 3.28Å; D450-S452 WeakPolarHBondContact OD1-CA 3.48Å; D450-S452 WeakPolarHBondContact OD1-CB 3.28Å; D450-S452 PolarHBondContact OD1-N 2.96Å; S452-S454 VanDerWaalsContact C-N 3.31Å; S452-S454 PolarHBondContact O-N 3.21Å; S452-A455 WeakPolarHBondContact O-CB 3.31Å; S452-A455 PolarHBondContact O-N 3.18Å; S452-L456 WeakPolarHBondContact O-CG 3.4Å; S452-L456 PolarHBondContact O-N 3Å; S452-L456 VanDerWaalsContact O-N 3.1Å; S452-M591 WeakPolarHBondContact CA-SD 3.43Å; S452-M591 WeakPolarHBondContact CB-SD 3.32Å; S452-M591 PolarHBondContact OG-SD 3.36Å
453	E	91.4	Very high	90.6	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-38	174.5	-74.5	-154.6	136.4	0	0	112.3	N429 R430 A431 D450 L456 L457 Q489 K508	N429-E453 WeakPolarHBondContact CA-OE1 3.23Å; N429-E453 PolarHBondContact ND2-O 3.2Å; N429-E453 WeakPolarHBondContact OD1-CB 3.24Å; R430-E453 WeakPolarHBondContact CB-OE2 3.23Å; R430-E453 PolarHBondContact N-OE1 3.26Å; R430-E453 VanDerWaalsContact N-OE1 3.09Å; R430-E453 PolarHBondContact N-OE2 2.59Å; R430-E453 VanDerWaalsContact N-OE2 3.13Å; A431-E453 HydrophobicContact CB-CB 3.78Å; A431-E453 PolarHBondContact N-OE2 2.78Å; D450-E453 PolarHBondContact O-N 2.84Å; D450-E453 PolarHBondContact OD1-N 2.72Å; D450-E453 WeakPolarHBondContact OD2-CG 3.47Å; E453-L456 PolarHBondContact O-N 3.4Å; E453-L457 WeakPolarHBondContact O-CB 3.37Å; E453-L457 PolarHBondContact O-N 3.24Å; E453-Q489 PolarHBondContact OE1-NE2 2.95Å; E453-Q489 VanDerWaalsContact OE1-NE2 3.11Å; E453-Q489 PolarHBondContact OE1-OE1 3Å; E453-Q489 VanDerWaalsContact OE1-OE1 3.12Å; E453-K508 IonicContact OE1-NZ 3.93Å; E453-K508 PolarHBondContact OE1-NZ 3.27Å
454	S	92.6	Very high	90.6	Very high	16 Å²	16	30.7 Å²	30.7	11%	0.112	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-40.7	174.9	-61	0	0	0	0	112.3	V447 D450 A451 S452 L457 K458	V447-S454 WeakPolarHBondContact CG1-OG 3.46Å; D450-S454 VanDerWaalsContact O-CB 3.24Å; D450-S454 WeakPolarHBondContact O-CB 3.47Å; D450-S454 PolarHBondContact O-N 2.97Å; D450-S454 PolarHBondContact O-OG 3.42Å; A451-S454 PolarHBondContact O-N 3.48Å; S452-S454 VanDerWaalsContact C-N 3.31Å; S452-S454 PolarHBondContact O-N 3.21Å; S454-L457 PolarHBondContact O-N 3.37Å; S454-K458 WeakPolarHBondContact O-CB 3.47Å; S454-K458 WeakPolarHBondContact O-CG 3.36Å; S454-K458 PolarHBondContact O-N 3.28Å
455	A	94	Very high	90.8	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-47	175.9	0	0	0	0	0	111.3	M386 V388 A451 S452 K458 C459 M591	M386-A455 HydrophobicContact CB-CB 4.26Å; M386-A455 HydrophobicContact CG-CB 4.03Å; M386-A455 VanDerWaalsContact O-CB 3.26Å; M386-A455 WeakPolarHBondContact O-CB 3.23Å; V388-A455 HydrophobicContact CG2-CB 4.47Å; A451-A455 WeakPolarHBondContact O-CB 3.44Å; A451-A455 PolarHBondContact O-N 3.46Å; S452-A455 WeakPolarHBondContact O-CB 3.31Å; S452-A455 PolarHBondContact O-N 3.18Å; A455-K458 PolarHBondContact O-N 2.93Å; A455-C459 WeakPolarHBondContact O-CB 3.49Å; A455-C459 PolarHBondContact O-N 3.5Å; A455-M591 HydrophobicContact CB-SD 4.22Å
456	L	96.4	Very high	90.9	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-46.6	176.8	-66.6	169.9	0	0	0	111.5	V388 A425 N429 S452 E453 K458 C459 I460 K508 L553 F555 I589 M591	V388-L456 HydrophobicContact CG2-CD2 4.08Å; A425-L456 HydrophobicContact CB-CD2 4.34Å; N429-L456 WeakPolarHBondContact ND2-CB 3.34Å; S452-L456 WeakPolarHBondContact O-CG 3.4Å; S452-L456 PolarHBondContact O-N 3Å; S452-L456 VanDerWaalsContact O-N 3.1Å; E453-L456 PolarHBondContact O-N 3.4Å; L456-K458 VanDerWaalsContact C-N 3.31Å; L456-K458 PolarHBondContact O-N 3.36Å; L456-C459 PolarHBondContact O-N 3.32Å; L456-I460 WeakPolarHBondContact O-CG1 3.38Å; L456-I460 PolarHBondContact O-N 3.28Å; L456-K508 HydrophobicContact CD1-CD 4.45Å; L456-L553 HydrophobicContact CD1-CD1 4.34Å; L456-F555 HydrophobicContact CD1-CE1 4.18Å; L456-F555 HydrophobicContact CD1-CZ 3.82Å; L456-F555 HydrophobicContact CD2-CZ 3.9Å; L456-I589 HydrophobicContact CD2-CB 4.32Å; L456-I589 HydrophobicContact CD2-CD1 3.86Å; L456-I589 HydrophobicContact CD2-CG2 3.91Å; L456-M591 HydrophobicContact CD1-CE 4.35Å; L456-M591 HydrophobicContact CD2-CE 3.96Å; L456-M591 HydrophobicContact CG-CE 3.93Å
457	L	96.4	Very high	91.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-48.2	177.7	175.9	69.2	0	0	0	110.9	A431 F433 V447 E453 S454 I460 E461 V467	A431-L457 HydrophobicContact CB-CB 4.18Å; A431-L457 HydrophobicContact CB-CD2 4.02Å; F433-L457 HydrophobicContact CD1-CD2 4.37Å; F433-L457 HydrophobicContact CD2-CD2 4.16Å; F433-L457 HydrophobicContact CE1-CD2 4.19Å; F433-L457 HydrophobicContact CE2-CD1 4.33Å; F433-L457 HydrophobicContact CE2-CD2 3.97Å; F433-L457 HydrophobicContact CE2-CG 3.98Å; F433-L457 HydrophobicContact CG-CD2 4.35Å; F433-L457 HydrophobicContact CZ-CD2 3.98Å; F433-L457 HydrophobicContact CZ-CG 3.98Å; V447-L457 HydrophobicContact CG1-CD2 3.8Å; V447-L457 HydrophobicContact CG2-CD2 4.22Å; E453-L457 WeakPolarHBondContact O-CB 3.37Å; E453-L457 PolarHBondContact O-N 3.24Å; S454-L457 PolarHBondContact O-N 3.37Å; L457-I460 PolarHBondContact O-N 3.04Å; L457-E461 VanDerWaalsContact O-CB 3.27Å; L457-E461 WeakPolarHBondContact O-CB 3.26Å; L457-E461 PolarHBondContact O-N 3.42Å; L457-V467 HydrophobicContact CD1-CB 3.77Å; L457-V467 HydrophobicContact CD1-CG1 3.71Å; L457-V467 HydrophobicContact CD1-CG2 3.99Å
458	K	95.3	Very high	91.5	Very high	20 Å²	20	30.1 Å²	30.1	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-40.2	179.8	-74.7	175.5	175.4	-172.9	0	112.3	F433 I442 L443 R445 S454 A455 L456 L462	F433-K458 HydrophobicContact CE1-CG 4.18Å; F433-K458 HydrophobicContact CZ-CG 4.32Å; I442-K458 HydrophobicContact CG2-CB 4.44Å; I442-K458 HydrophobicContact CG2-CG 4.47Å; L443-K458 HydrophobicContact CD2-CB 4.18Å; L443-K458 PolarHBondContact O-NZ 3.26Å; R445-K458 WeakPolarHBondContact O-CE 3.39Å; R445-K458 PolarHBondContact O-NZ 3.4Å; S454-K458 WeakPolarHBondContact O-CB 3.47Å; S454-K458 WeakPolarHBondContact O-CG 3.36Å; S454-K458 PolarHBondContact O-N 3.28Å; A455-K458 PolarHBondContact O-N 2.93Å; L456-K458 VanDerWaalsContact C-N 3.31Å; L456-K458 PolarHBondContact O-N 3.36Å; K458-L462 VanDerWaalsContact O-CB 3.27Å; K458-L462 WeakPolarHBondContact O-CB 3.32Å; K458-L462 PolarHBondContact O-N 2.77Å; K458-L462 VanDerWaalsContact O-N 3.12Å
459	C	95.2	Very high	92	Very high	16 Å²	16	33.5 Å²	33.5	11%	0.108	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-48.7	176.6	179.7	0	0	0	0	111.7	V388 A455 L456 L462 C463	V388-C459 HydrophobicContact CB-CB 4Å; V388-C459 HydrophobicContact CG2-CB 3.67Å; A455-C459 WeakPolarHBondContact O-CB 3.49Å; A455-C459 PolarHBondContact O-N 3.5Å; L456-C459 PolarHBondContact O-N 3.32Å; C459-L462 PolarHBondContact O-N 2.8Å; C459-C463 WeakPolarHBondContact O-CB 3.45Å; C459-C463 PolarHBondContact O-N 3.06Å
460	I	95.6	Very high	92.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-69.6	-40.3	-179	-55.8	-45.7	0	0	0	111.3	W418 A425 L456 L457 L462 C463 C464 V467 M470	W418-I460 HydrophobicContact CH2-CD1 4.14Å; W418-I460 HydrophobicContact CZ2-CD1 4.49Å; A425-I460 HydrophobicContact CB-CD1 3.93Å; A425-I460 HydrophobicContact CB-CG1 3.89Å; L456-I460 WeakPolarHBondContact O-CG1 3.38Å; L456-I460 PolarHBondContact O-N 3.28Å; L457-I460 PolarHBondContact O-N 3.04Å; I460-L462 PolarHBondContact O-N 3.36Å; I460-C463 PolarHBondContact O-N 3.37Å; I460-C464 HydrophobicContact CG2-CB 3.87Å; I460-C464 WeakPolarHBondContact O-CA 3.23Å; I460-C464 WeakPolarHBondContact O-CB 3.25Å; I460-C464 PolarHBondContact O-N 2.59Å; I460-V467 HydrophobicContact CB-CG2 3.77Å; I460-V467 HydrophobicContact CG2-CG2 3.65Å; I460-M470 HydrophobicContact CG2-CE 3.97Å; I460-M470 HydrophobicContact CG2-SD 4.47Å
461	E	94.8	Very high	93.2	Very high	31 Å²	31	33.3 Å²	33.3	15%	0.145	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-38.1	175.9	-169.9	73.5	-166.9	0	0	111.8	F433 I442 L457 G465 V467	F433-E461 HydrophobicContact CE2-CB 4.17Å; F433-E461 HydrophobicContact CE2-CG 3.77Å; F433-E461 HydrophobicContact CZ-CB 4.21Å; F433-E461 HydrophobicContact CZ-CG 4.06Å; I442-E461 HydrophobicContact CD1-CG 4.05Å; I442-E461 HydrophobicContact CG1-CG 4.24Å; I442-E461 HydrophobicContact CG2-CB 3.97Å; I442-E461 HydrophobicContact CG2-CG 3.94Å; L457-E461 VanDerWaalsContact O-CB 3.27Å; L457-E461 WeakPolarHBondContact O-CB 3.26Å; L457-E461 PolarHBondContact O-N 3.42Å; E461-G465 WeakPolarHBondContact CA-O 3.5Å; E461-V467 HydrophobicContact CB-CG2 4.25Å; E461-V467 PolarHBondContact OE2-N 2.79Å
462	L	92.2	Very high	93.6	Very high	63 Å²	63	37.8 Å²	37.8	33%	0.33	20%	0.2	S	C	.	.	H	α-helix	trans	-75.6	-44.3	180	-176	85.4	0	0	0	112.6	Q406 I442 K458 C459 I460	Q406-L462 HydrophobicContact CG-CD1 4.13Å; Q406-L462 HydrophobicContact CG-CD2 4.4Å; I442-L462 HydrophobicContact CD1-CB 4.48Å; I442-L462 HydrophobicContact CD1-CD1 4.19Å; K458-L462 VanDerWaalsContact O-CB 3.27Å; K458-L462 WeakPolarHBondContact O-CB 3.32Å; K458-L462 PolarHBondContact O-N 2.77Å; K458-L462 VanDerWaalsContact O-N 3.12Å; C459-L462 PolarHBondContact O-N 2.8Å; I460-L462 PolarHBondContact O-N 3.36Å
463	C	89.6	Confident	93.9	Very high	25 Å²	25	45.2 Å²	45.2	17%	0.169	23%	0.227	C	C	.	.	H	α-helix	trans	-92.4	-25.1	-170.8	-65.2	0	0	0	0	114.5	F411 W418 C459 I460	F411-C463 HydrophobicContact CZ-CB 4.49Å; W418-C463 HydrophobicContact CZ2-CB 4.14Å; C459-C463 WeakPolarHBondContact O-CB 3.45Å; C459-C463 PolarHBondContact O-N 3.06Å; I460-C463 PolarHBondContact O-N 3.37Å
464	C	90.6	Very high	94	Very high	48 Å²	48	45.5 Å²	45.5	32%	0.324	23%	0.228	S	C	.	.	H	α-helix	trans	-125.8	0.9	-168.5	-60.7	0	0	0	0	113.9	S422 I460 M470	S422-C464 VanDerWaalsContact CB-SG 3.52Å; I460-C464 HydrophobicContact CG2-CB 3.87Å; I460-C464 WeakPolarHBondContact O-CA 3.23Å; I460-C464 WeakPolarHBondContact O-CB 3.25Å; I460-C464 PolarHBondContact O-N 2.59Å; C464-M470 HydrophobicContact CB-CE 4.27Å
465	G	91.6	Very high	94.1	Very high	38 Å²	38	47 Å²	47	39%	0.392	24%	0.241	S	C	.	.	S	Bend	trans	85.9	-165.2	-176	0	0	0	0	0	113.1	E461 V467	E461-G465 WeakPolarHBondContact CA-O 3.5Å; G465-V467 PolarHBondContact O-N 2.93Å; G465-V467 VanDerWaalsContact O-N 3.16Å
466	S	94.6	Very high	94.2	Very high	36 Å²	36	50.9 Å²	50.9	25%	0.252	26%	0.258	S	S	.	.			trans	-59.7	114.4	-171.5	176.9	0	0	0	0	113.1	K468 E469 M470	S466-K468 PolarHBondContact O-N 3.16Å; S466-E469 PolarHBondContact O-N 3.31Å; S466-E469 PolarHBondContact OG-N 2.82Å; S466-M470 PolarHBondContact O-N 2.94Å; S466-M470 VanDerWaalsContact O-N 3.17Å
467	V	95.1	Very high	94.1	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-28.2	175.4	178.8	0	0	0	0	110.9	L457 I460 E461 G465 M470 R471	L457-V467 HydrophobicContact CD1-CB 3.77Å; L457-V467 HydrophobicContact CD1-CG1 3.71Å; L457-V467 HydrophobicContact CD1-CG2 3.99Å; I460-V467 HydrophobicContact CB-CG2 3.77Å; I460-V467 HydrophobicContact CG2-CG2 3.65Å; E461-V467 HydrophobicContact CB-CG2 4.25Å; E461-V467 PolarHBondContact OE2-N 2.79Å; G465-V467 PolarHBondContact O-N 2.93Å; G465-V467 VanDerWaalsContact O-N 3.16Å; V467-M470 WeakPolarHBondContact O-CB 3.19Å; V467-M470 PolarHBondContact O-N 2.96Å; V467-R471 HydrophobicContact CG1-CG 4.26Å; V467-R471 WeakPolarHBondContact O-CG 3.4Å; V467-R471 PolarHBondContact O-N 3.16Å
468	K	93.3	Very high	94	Very high	145 Å²	145	55 Å²	55	63%	0.63	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-49.7	175.8	-175.8	-178.1	173.2	-172.3	0	110.9	S466 M470 R471 E472	S466-K468 PolarHBondContact O-N 3.16Å; K468-M470 VanDerWaalsContact C-N 3.3Å; K468-M470 PolarHBondContact O-N 3.25Å; K468-R471 PolarHBondContact O-N 2.85Å; K468-E472 WeakPolarHBondContact CE-OE1 3.5Å; K468-E472 WeakPolarHBondContact O-CG 3.49Å; K468-E472 PolarHBondContact O-N 2.78Å
469	E	94.3	Very high	93.9	Very high	119 Å²	119	57.2 Å²	57.2	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-63.9	-37.4	176.9	-68.2	171.6	-155.9	0	0	111.7	S466 E472 R473	S466-E469 PolarHBondContact O-N 3.31Å; S466-E469 PolarHBondContact OG-N 2.82Å; E469-E472 PolarHBondContact O-N 2.91Å; E469-R473 VanDerWaalsContact O-CB 3.3Å; E469-R473 WeakPolarHBondContact O-CB 3.39Å; E469-R473 PolarHBondContact O-N 2.89Å
470	M	94.3	Very high	93.7	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.6	-174.6	-173.6	-69.3	0	0	111.8	R423 L427 I460 C464 S466 V467 K468 R473 Y474	R423-M470 HydrophobicContact CG-SD 4.45Å; L427-M470 HydrophobicContact CD2-CG 4.31Å; I460-M470 HydrophobicContact CG2-CE 3.97Å; I460-M470 HydrophobicContact CG2-SD 4.47Å; C464-M470 HydrophobicContact CB-CE 4.27Å; S466-M470 PolarHBondContact O-N 2.94Å; S466-M470 VanDerWaalsContact O-N 3.17Å; V467-M470 WeakPolarHBondContact O-CB 3.19Å; V467-M470 PolarHBondContact O-N 2.96Å; K468-M470 VanDerWaalsContact C-N 3.3Å; K468-M470 PolarHBondContact O-N 3.25Å; M470-R473 PolarHBondContact O-N 3.04Å; M470-Y474 PolarHBondContact O-N 3.1Å; M470-Y474 VanDerWaalsContact O-N 3.1Å
471	R	95.3	Very high	93.4	Very high	52 Å²	52	60.3 Å²	60.3	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-70.2	-34.1	178.5	-73.5	179.9	-176	167.9	8.3	113.1	G426 L427 N429 A431 V467 K468 Y474	G426-R471 PolarHBondContact O-NE 2.85Å; G426-R471 PolarHBondContact O-NH2 2.91Å; G426-R471 VanDerWaalsContact O-NH2 3.16Å; L427-R471 HydrophobicContact CD2-CG 4.09Å; N429-R471 PolarHBondContact O-NH2 3Å; N429-R471 VanDerWaalsContact O-NH2 3.12Å; A431-R471 PolarHBondContact O-NH1 3.17Å; A431-R471 PolarHBondContact O-NH2 3.23Å; V467-R471 HydrophobicContact CG1-CG 4.26Å; V467-R471 WeakPolarHBondContact O-CG 3.4Å; V467-R471 PolarHBondContact O-N 3.16Å; K468-R471 PolarHBondContact O-N 2.85Å; R471-Y474 CarbonylContact O-C 3.52Å; R471-Y474 VanDerWaalsContact O-C 3.32Å; R471-Y474 VanDerWaalsContact O-O 3.08Å
472	E	94.2	Very high	92.9	Very high	129 Å²	129	64.1 Å²	64.1	60%	0.603	33%	0.325	S	S	*	.	H	α-helix	trans	-67.5	-38	173.7	-74.2	173.4	-173.1	0	0	111.4	K468 E469	K468-E472 WeakPolarHBondContact CE-OE1 3.5Å; K468-E472 WeakPolarHBondContact O-CG 3.49Å; K468-E472 PolarHBondContact O-N 2.78Å; E469-E472 PolarHBondContact O-N 2.91Å
473	R	94.4	Very high	92.2	Very high	163 Å²	163	64.8 Å²	64.8	62%	0.615	33%	0.329	S	S	*	.	H	α-helix	trans	-66.4	-40.1	176.7	-170.5	-172.5	-58.8	178.4	4.1	112.7	E469 M470 P496	E469-R473 VanDerWaalsContact O-CB 3.3Å; E469-R473 WeakPolarHBondContact O-CB 3.39Å; E469-R473 PolarHBondContact O-N 2.89Å; M470-R473 PolarHBondContact O-N 3.04Å; R473-P496 HydrophobicContact CG-CB 4.42Å; R473-P496 HydrophobicContact CG-CG 3.92Å
474	Y	95.3	Very high	91.3	Very high	15 Å²	15	68.2 Å²	68.2	6%	0.059	35%	0.354	C	S	.	.	S	Bend	trans	-104.2	76.7	176.4	-71.6	-96	0	0	0	110.2	R423 L427 M470 R471 K476 H493 K494 P496 L504	R423-Y474 PolarHBondContact NH1-OH 2.77Å; R423-Y474 VanDerWaalsContact NH1-OH 3.11Å; L427-Y474 HydrophobicContact CD1-CD1 4.14Å; L427-Y474 HydrophobicContact CD1-CD2 4.36Å; L427-Y474 HydrophobicContact CD1-CG 3.86Å; L427-Y474 HydrophobicContact CD2-CG 4.33Å; M470-Y474 PolarHBondContact O-N 3.1Å; M470-Y474 VanDerWaalsContact O-N 3.1Å; R471-Y474 CarbonylContact O-C 3.52Å; R471-Y474 VanDerWaalsContact O-C 3.32Å; R471-Y474 VanDerWaalsContact O-O 3.08Å; Y474-K476 PolarHBondContact O-N 3.32Å; Y474-H493 PolarHBondContact O-ND1 3.29Å; Y474-K494 WeakPolarHBondContact CA-O 3.37Å; Y474-K494 WeakPolarHBondContact CD1-O 3.47Å; Y474-P496 HydrophobicContact CE1-CG 4.35Å; Y474-P496 HydrophobicContact CE2-CG 4.42Å; Y474-L504 HydrophobicContact CD1-CD2 4.3Å; Y474-L504 HydrophobicContact CE1-CD2 4.15Å
475	A	94.1	Very high	90.7	Very high	48 Å²	48	71.6 Å²	71.6	40%	0.397	37%	0.373	S	S	.	.			trans	-56.2	121.8	-175.9	0	0	0	0	0	111.5	H493 K494	A475-H493 CarbonylContact O-C 3.49Å; A475-H493 VanDerWaalsContact O-CA 3.3Å; A475-H493 WeakPolarHBondContact O-CA 3.46Å; A475-K494 PolarHBondContact O-N 3.08Å
476	K	95.8	Very high	90.2	Very high	85 Å²	85	72.8 Å²	72.8	37%	0.37	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.4	177.4	-175.7	-177.3	-71	-177.6	0	109.9	Y474 E479	Y474-K476 PolarHBondContact O-N 3.32Å; K476-E479 HydrophobicContact CD-CB 4.16Å; K476-E479 HydrophobicContact CD-CG 4.4Å; K476-E479 WeakPolarHBondContact CD-OE2 3.37Å; K476-E479 WeakPolarHBondContact CE-OE2 3.47Å; K476-E479 IonicContact NZ-OE2 3.47Å; K476-E479 PolarHBondContact NZ-OE2 2.97Å
477	I	93.8	Very high	89.9	Confident	69 Å²	69	75.2 Å²	75.2	35%	0.354	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-50.8	177.7	-53.1	173.8	0	0	0	109.7	I492 K494 H503 F571	I477-I492 PolarHBondContact N-O 3.12Å; I477-K494 HydrophobicContact CD1-CG 3.67Å; I477-K494 HydrophobicContact CG1-CG 3.93Å; I477-H503 VanDerWaalsContact CD1-CD2 3.46Å; I477-H503 WeakPolarHBondContact CD1-CD2 3.47Å; I477-F571 HydrophobicContact CD1-CE2 4.15Å; I477-F571 HydrophobicContact CG2-CD2 4.04Å
478	V	94.1	Very high	89.8	Confident	24 Å²	24	75.6 Å²	75.6	15%	0.145	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.2	-177.3	71.3	0	0	0	0	110.2	S491 I492 F571 T573	V478-S491 WeakPolarHBondContact O-CA 3.47Å; V478-I492 HydrophobicContact CG1-CB 3.84Å; V478-I492 HydrophobicContact CG1-CD1 3.79Å; V478-I492 HydrophobicContact CG1-CG1 3.9Å; V478-I492 PolarHBondContact O-N 3.27Å; V478-F571 HydrophobicContact CB-CB 4.24Å; V478-F571 HydrophobicContact CG1-CB 3.6Å; V478-F571 HydrophobicContact CG1-CG 4.18Å; V478-T573 HydrophobicContact CG2-CG2 3.13Å
479	E	93.6	Very high	89.9	Confident	65 Å²	65	69.3 Å²	69.3	30%	0.304	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.1	172.9	63.4	176.4	-153.9	0	0	111.8	K476 L490	K476-E479 HydrophobicContact CD-CB 4.16Å; K476-E479 HydrophobicContact CD-CG 4.4Å; K476-E479 WeakPolarHBondContact CD-OE2 3.37Å; K476-E479 WeakPolarHBondContact CE-OE2 3.47Å; K476-E479 IonicContact NZ-OE2 3.47Å; K476-E479 PolarHBondContact NZ-OE2 2.97Å; E479-L490 CarbonylContact C-O 3.55Å; E479-L490 WeakPolarHBondContact CA-O 3.37Å
480	I	91.8	Very high	89.9	Confident	20 Å²	20	63.7 Å²	63.7	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.8	162.9	-59.7	-162.8	0	0	0	106.6	L490 T573 V576 F578	I480-L490 HydrophobicContact CB-CB 4.41Å; I480-L490 HydrophobicContact CB-CD2 3.8Å; I480-L490 HydrophobicContact CB-CG 4.19Å; I480-L490 HydrophobicContact CD1-CD2 3.51Å; I480-L490 HydrophobicContact CG1-CD2 3.58Å; I480-L490 HydrophobicContact CG1-CG 4.26Å; I480-L490 PolarHBondContact N-O 2.93Å; I480-L490 PolarHBondContact O-N 2.85Å; I480-T573 HydrophobicContact CG1-CG2 4.01Å; I480-V576 HydrophobicContact CD1-CG2 4.46Å; I480-F578 HydrophobicContact CD1-CZ 4.06Å
481	P	87.6	Confident	90	Very high	62 Å²	62	62.6 Å²	62.6	40%	0.403	32%	0.319	S	S	.	.			trans	-66.1	159.3	179.6	28.9	-34.5	0	0	0	110.7	N483	P481-N483 PolarHBondContact O-N 3.33Å
482	F	86	Confident	90.1	Very high	111 Å²	111	60.1 Å²	60.1	49%	0.487	31%	0.31	S	S	.	.			trans	-57.6	128.7	176.8	-176.2	-92.9	0	0	0	111.3	Q489	F482-Q489 HydrophobicContact CB-CB 4.16Å
483	N	76.2	Confident	90.2	Very high	77 Å²	77	54 Å²	54	41%	0.412	28%	0.281	S	S	.	.			trans	-126	135.7	173.3	-177.3	-20.4	0	0	0	109.5	P481 T485 N486 K487	P481-N483 PolarHBondContact O-N 3.33Å; N483-T485 PolarHBondContact O-N 3.34Å; N483-T485 VanDerWaalsContact O-N 3.15Å; N483-T485 PolarHBondContact OD1-N 3.04Å; N483-T485 PolarHBondContact OD1-OG1 3.22Å; N483-N486 HydrophobicContact CB-CB 4.47Å; N483-N486 PolarHBondContact O-N 3.42Å; N483-N486 VanDerWaalsContact O-N 3.16Å; N483-K487 PolarHBondContact O-N 2.76Å
484	S	72	Confident	90.1	Very high	97 Å²	97	50.7 Å²	50.7	68%	0.678	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.6	178.7	-53.4	0	0	0	0	114.3	K487	S484-K487 WeakPolarHBondContact O-CG 3.37Å
485	T	76.5	Confident	90	Very high	119 Å²	119	50.6 Å²	50.6	73%	0.73	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-45.1	177.1	-45	0	0	0	0	111.1	N483	N483-T485 PolarHBondContact O-N 3.34Å; N483-T485 VanDerWaalsContact O-N 3.15Å; N483-T485 PolarHBondContact OD1-N 3.04Å; N483-T485 PolarHBondContact OD1-OG1 3.22Å
486	N	81.6	Confident	89.8	Confident	63 Å²	63	51.2 Å²	51.2	34%	0.337	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-29.7	-175.7	-67.3	0.2	0	0	0	112.3	N483 Y488	N483-N486 HydrophobicContact CB-CB 4.47Å; N483-N486 PolarHBondContact O-N 3.42Å; N483-N486 VanDerWaalsContact O-N 3.16Å; N486-Y488 HydrophobicContact CB-CD1 3.98Å; N486-Y488 HydrophobicContact CB-CE1 3.66Å; N486-Y488 WeakPolarHBondContact O-CD1 3.46Å; N486-Y488 PolarHBondContact O-N 3.47Å
487	K	89.2	Confident	89.4	Confident	87 Å²	87	50.3 Å²	50.3	38%	0.378	27%	0.271	S	S	.	.			trans	59.1	20.2	-179.1	-58.7	-173.2	175.1	-169.9	0	115.5	N483 S484 G509 A510 R513	N483-K487 PolarHBondContact O-N 2.76Å; S484-K487 WeakPolarHBondContact O-CG 3.37Å; K487-G509 WeakPolarHBondContact O-CA 3.02Å; K487-A510 HydrophobicContact CB-CB 4.46Å; K487-A510 PolarHBondContact O-N 3.15Å; K487-A510 VanDerWaalsContact O-N 3.16Å; K487-R513 HydrophobicContact CB-CG 4.16Å; K487-R513 HydrophobicContact CD-CG 4.28Å
488	Y	93	Very high	88.7	Confident	11 Å²	11	54.4 Å²	54.4	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.1	171.1	65.5	-98.8	0	0	0	110.9	N486 L490 M507 K508	N486-Y488 HydrophobicContact CB-CD1 3.98Å; N486-Y488 HydrophobicContact CB-CE1 3.66Å; N486-Y488 WeakPolarHBondContact O-CD1 3.46Å; N486-Y488 PolarHBondContact O-N 3.47Å; Y488-L490 HydrophobicContact CD2-CB 4.21Å; Y488-L490 HydrophobicContact CE2-CB 4.31Å; Y488-L490 HydrophobicContact CE2-CD2 4.28Å; Y488-M507 HydrophobicContact CD2-CE 4.39Å; Y488-M507 HydrophobicContact CD2-CG 4.05Å; Y488-M507 HydrophobicContact CD2-SD 3.85Å; Y488-M507 HydrophobicContact CE2-SD 4.47Å; Y488-M507 HydrophobicContact CG-CG 4.31Å; Y488-M507 HydrophobicContact CG-SD 3.91Å; Y488-K508 CarbonylContact C-O 3.56Å; Y488-K508 VanDerWaalsContact CA-O 3.29Å; Y488-K508 WeakPolarHBondContact CA-O 2.74Å
489	Q	94.6	Very high	88	Confident	12 Å²	12	58.5 Å²	58.5	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.7	169.9	177.6	178.7	-11.4	0	0	107.8	C428 E453 F482 M507 K508	C428-Q489 PolarHBondContact SG-O 3.35Å; E453-Q489 PolarHBondContact OE1-NE2 2.95Å; E453-Q489 VanDerWaalsContact OE1-NE2 3.11Å; E453-Q489 PolarHBondContact OE1-OE1 3Å; E453-Q489 VanDerWaalsContact OE1-OE1 3.12Å; F482-Q489 HydrophobicContact CB-CB 4.16Å; Q489-M507 CarbonylContact O-C 3.49Å; Q489-M507 VanDerWaalsContact O-CA 3.28Å; Q489-M507 WeakPolarHBondContact O-CA 3.3Å; Q489-M507 VanDerWaalsContact O-CG 3.29Å; Q489-M507 WeakPolarHBondContact O-CG 3.5Å; Q489-K508 HydrophobicContact CB-CG 4.27Å; Q489-K508 PolarHBondContact N-O 2.88Å; Q489-K508 PolarHBondContact O-N 2.92Å
490	L	95.1	Very high	87.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.5	-172.2	131.8	89.4	0	0	0	109.8	E479 I480 Y488 I492 L505 V506 M507 F578	E479-L490 CarbonylContact C-O 3.55Å; E479-L490 WeakPolarHBondContact CA-O 3.37Å; I480-L490 HydrophobicContact CB-CB 4.41Å; I480-L490 HydrophobicContact CB-CD2 3.8Å; I480-L490 HydrophobicContact CB-CG 4.19Å; I480-L490 HydrophobicContact CD1-CD2 3.51Å; I480-L490 HydrophobicContact CG1-CD2 3.58Å; I480-L490 HydrophobicContact CG1-CG 4.26Å; I480-L490 PolarHBondContact N-O 2.93Å; I480-L490 PolarHBondContact O-N 2.85Å; Y488-L490 HydrophobicContact CD2-CB 4.21Å; Y488-L490 HydrophobicContact CE2-CB 4.31Å; Y488-L490 HydrophobicContact CE2-CD2 4.28Å; L490-I492 HydrophobicContact CD1-CG1 4.35Å; L490-L505 HydrophobicContact CD1-CD1 3.7Å; L490-L505 HydrophobicContact CD1-CD2 3.79Å; L490-L505 HydrophobicContact CD1-CG 3.49Å; L490-L505 VanDerWaalsContact CD1-CG 3.49Å; L490-V506 CarbonylContact C-O 3.56Å; L490-V506 WeakPolarHBondContact CA-O 3.32Å; L490-M507 HydrophobicContact CB-CB 4.36Å; L490-M507 HydrophobicContact CB-CE 4.34Å; L490-M507 HydrophobicContact CB-CG 4.19Å; L490-F578 HydrophobicContact CD1-CE2 4.15Å; L490-F578 HydrophobicContact CD2-CE2 3.57Å; L490-F578 HydrophobicContact CD2-CZ 3.93Å; L490-F578 HydrophobicContact CG-CE2 4.44Å
491	S	96.2	Very high	87.2	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.9	169.1	51.5	0	0	0	0	111.9	V478 H493 V506	V478-S491 WeakPolarHBondContact O-CA 3.47Å; S491-H493 WeakPolarHBondContact CB-NE2 3.49Å; S491-H493 PolarHBondContact OG-NE2 3.46Å; S491-V506 PolarHBondContact N-O 2.87Å; S491-V506 WeakPolarHBondContact O-CG2 3.3Å; S491-V506 PolarHBondContact O-N 3.21Å; S491-V506 WeakPolarHBondContact OG-CG2 3.47Å
492	I	96.6	Very high	87.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.9	177.4	-54.1	176.5	0	0	0	108.6	I477 V478 L490 H503 L504 L505 L560 F571 F578	I477-I492 PolarHBondContact N-O 3.12Å; V478-I492 HydrophobicContact CG1-CB 3.84Å; V478-I492 HydrophobicContact CG1-CD1 3.79Å; V478-I492 HydrophobicContact CG1-CG1 3.9Å; V478-I492 PolarHBondContact O-N 3.27Å; L490-I492 HydrophobicContact CD1-CG1 4.35Å; I492-H503 HydrophobicContact CG2-CB 4.41Å; I492-L504 WeakPolarHBondContact CA-O 3.39Å; I492-L505 HydrophobicContact CD1-CD1 4.27Å; I492-L505 HydrophobicContact CG1-CB 4.31Å; I492-L505 HydrophobicContact CG1-CD1 4.21Å; I492-L505 HydrophobicContact CG1-CG 4.18Å; I492-L560 HydrophobicContact CD1-CD1 4.31Å; I492-L560 HydrophobicContact CG2-CD1 4.3Å; I492-F571 HydrophobicContact CD1-CB 4.34Å; I492-F571 HydrophobicContact CD1-CD1 3.49Å; I492-F571 VanDerWaalsContact CD1-CD1 3.49Å; I492-F571 HydrophobicContact CD1-CD2 4.42Å; I492-F571 HydrophobicContact CD1-CE1 3.79Å; I492-F571 HydrophobicContact CD1-CG 3.83Å; I492-F571 HydrophobicContact CD1-CZ 4.38Å; I492-F571 HydrophobicContact CG2-CD2 4.45Å; I492-F571 HydrophobicContact CG2-CE2 4.06Å; I492-F571 HydrophobicContact CG2-CZ 4.09Å; I492-F578 HydrophobicContact CD1-CB 4.36Å; I492-F578 HydrophobicContact CD1-CD1 3.84Å; I492-F578 HydrophobicContact CD1-CD2 4.04Å; I492-F578 HydrophobicContact CD1-CE1 4.09Å; I492-F578 HydrophobicContact CD1-CE2 4.3Å; I492-F578 HydrophobicContact CD1-CG 3.8Å; I492-F578 HydrophobicContact CD1-CZ 4.31Å
493	H	96.1	Very high	87.5	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.7	-174.3	-61.3	-104.4	0	0	0	111.1	Y474 A475 S491 L504	Y474-H493 PolarHBondContact O-ND1 3.29Å; A475-H493 CarbonylContact O-C 3.49Å; A475-H493 VanDerWaalsContact O-CA 3.3Å; A475-H493 WeakPolarHBondContact O-CA 3.46Å; S491-H493 WeakPolarHBondContact CB-NE2 3.49Å; S491-H493 PolarHBondContact OG-NE2 3.46Å; H493-L504 PolarHBondContact N-O 2.89Å; H493-L504 PolarHBondContact O-N 3.04Å
494	K	93.9	Very high	88.5	Confident	93 Å²	93	53.7 Å²	53.7	40%	0.404	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.6	166.5	-68	-167.5	174.7	-167.5	0	109.9	Y474 A475 I477 R502	Y474-K494 WeakPolarHBondContact CA-O 3.37Å; Y474-K494 WeakPolarHBondContact CD1-O 3.47Å; A475-K494 PolarHBondContact O-N 3.08Å; I477-K494 HydrophobicContact CD1-CG 3.67Å; I477-K494 HydrophobicContact CG1-CG 3.93Å; K494-R502 CarbonylContact C-O 3.56Å; K494-R502 WeakPolarHBondContact CA-O 3.21Å
495	N	92.3	Very high	89.7	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.064	27%	0.266	C	S	.	.			trans	-88.1	120.2	173.2	-170.2	0.6	0	0	0	109.5	N497 E500 P501 R502	N495-N497 VanDerWaalsContact C-N 3.27Å; N495-N497 PolarHBondContact O-N 3.27Å; N495-N497 WeakPolarHBondContact OD1-CB 3.48Å; N495-N497 PolarHBondContact OD1-N 3.14Å; N495-N497 VanDerWaalsContact OD1-N 3.1Å; N495-E500 VanDerWaalsContact ND2-CB 3.34Å; N495-E500 WeakPolarHBondContact ND2-CB 3.39Å; N495-E500 PolarHBondContact ND2-OE2 2.91Å; N495-P501 WeakPolarHBondContact CB-O 3.21Å; N495-P501 PolarHBondContact ND2-O 3.47Å; N495-R502 PolarHBondContact N-O 3.1Å
496	P	89.4	Confident	90.7	Very high	61 Å²	61	43.4 Å²	43.4	40%	0.396	23%	0.231	S	C	.	.			trans	-73.8	-16.4	176.3	34.9	-42.5	0	0	0	113.3	R473 Y474 T498	R473-P496 HydrophobicContact CG-CB 4.42Å; R473-P496 HydrophobicContact CG-CG 3.92Å; Y474-P496 HydrophobicContact CE1-CG 4.35Å; Y474-P496 HydrophobicContact CE2-CG 4.42Å; P496-T498 PolarHBondContact O-N 3.07Å
497	N	87.4	Confident	91.4	Very high	67 Å²	67	40.4 Å²	40.4	36%	0.358	22%	0.215	S	C	.	.			trans	-73	111.9	-177.6	-76.5	-12.5	0	0	0	110.5	N495 S499 E500	N495-N497 VanDerWaalsContact C-N 3.27Å; N495-N497 PolarHBondContact O-N 3.27Å; N495-N497 WeakPolarHBondContact OD1-CB 3.48Å; N495-N497 PolarHBondContact OD1-N 3.14Å; N495-N497 VanDerWaalsContact OD1-N 3.1Å; N497-S499 PolarHBondContact O-N 3.35Å; N497-S499 VanDerWaalsContact O-N 3.17Å; N497-E500 HydrophobicContact CB-CB 4.23Å; N497-E500 HydrophobicContact CB-CG 4.36Å; N497-E500 PolarHBondContact ND2-OE2 2.97Å; N497-E500 VanDerWaalsContact ND2-OE2 3.15Å; N497-E500 PolarHBondContact O-N 3.13Å
498	T	78.8	Confident	91.8	Very high	154 Å²	154	36.9 Å²	36.9	95%	0.945	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.6	-178.9	54.2	0	0	0	0	114.3	P496	P496-T498 PolarHBondContact O-N 3.07Å
499	S	80.7	Confident	91.9	Very high	110 Å²	110	36.5 Å²	36.5	77%	0.769	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.8	178	50.3	0	0	0	0	113.8	N497	N497-S499 PolarHBondContact O-N 3.35Å; N497-S499 VanDerWaalsContact O-N 3.17Å
500	E	82.6	Confident	91.8	Very high	66 Å²	66	36.9 Å²	36.9	31%	0.308	21%	0.205	S	C	.	.	S	Bend	trans	-120.4	162.6	-177.9	-69.1	173.2	176.2	0	0	109.6	N495 N497 F559	N495-E500 VanDerWaalsContact ND2-CB 3.34Å; N495-E500 WeakPolarHBondContact ND2-CB 3.39Å; N495-E500 PolarHBondContact ND2-OE2 2.91Å; N497-E500 HydrophobicContact CB-CB 4.23Å; N497-E500 HydrophobicContact CB-CG 4.36Å; N497-E500 PolarHBondContact ND2-OE2 2.97Å; N497-E500 VanDerWaalsContact ND2-OE2 3.15Å; N497-E500 PolarHBondContact O-N 3.13Å; E500-F559 HydrophobicContact CB-CE1 4.44Å
501	P	85.3	Confident	91.8	Very high	43 Å²	43	37 Å²	37	28%	0.279	21%	0.206	S	C	.	.			trans	-57.2	144.4	174.7	-23.9	35	0	0	0	112.1	N495 H503 F559 L560 D562	N495-P501 WeakPolarHBondContact CB-O 3.21Å; N495-P501 PolarHBondContact ND2-O 3.47Å; P501-H503 VanDerWaalsContact C-N 3.3Å; P501-H503 PolarHBondContact O-N 3.33Å; P501-F559 HydrophobicContact CB-CB 4.06Å; P501-F559 HydrophobicContact CG-CB 3.8Å; P501-L560 WeakPolarHBondContact CB-O 3.4Å; P501-D562 WeakPolarHBondContact CA-OD1 3.31Å
502	R	86.9	Confident	91.6	Very high	122 Å²	122	40 Å²	40	46%	0.46	22%	0.219	S	C	.	.	S	Bend	trans	-71.6	-21.9	-168	-68.3	176.2	-141.3	-124.7	-4.4	114.1	K494 N495 D562 E567	K494-R502 CarbonylContact C-O 3.56Å; K494-R502 WeakPolarHBondContact CA-O 3.21Å; N495-R502 PolarHBondContact N-O 3.1Å; R502-D562 WeakPolarHBondContact CG-OD2 3.39Å; R502-D562 IonicContact CZ-OD2 2.67Å; R502-D562 PolarHBondContact N-OD1 3.18Å; R502-D562 IonicContact NE-OD2 2.93Å; R502-D562 PolarHBondContact NE-OD2 2.96Å; R502-D562 IonicContact NH2-OD2 3.98Å; R502-E567 IonicContact NH1-OE2 3.15Å; R502-E567 PolarHBondContact NH1-OE2 3.02Å; R502-E567 VanDerWaalsContact NH1-OE2 3.12Å
503	H	93.8	Very high	91.4	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.1	-177.5	-64.3	106.8	0	0	0	109.8	I477 I492 P501 L560 F565 P566 F571	I477-H503 VanDerWaalsContact CD1-CD2 3.46Å; I477-H503 WeakPolarHBondContact CD1-CD2 3.47Å; I492-H503 HydrophobicContact CG2-CB 4.41Å; P501-H503 VanDerWaalsContact C-N 3.3Å; P501-H503 PolarHBondContact O-N 3.33Å; H503-L560 HydrophobicContact CB-CB 3.99Å; H503-L560 HydrophobicContact CB-CD1 4.08Å; H503-L560 HydrophobicContact CB-CG 4.43Å; H503-L560 PolarHBondContact O-N 3.28Å; H503-F565 PolarHBondContact CE1-O 3.02Å; H503-F565 VanDerWaalsContact CE1-O 3.31Å; H503-F565 PolarHBondContact ND1-O 3.15Å; H503-P566 PolarHBondContact CE1-O 3.13Å; H503-F571 HydrophobicContact CB-CZ 4.4Å; H503-F571 AromaticContact CD2-CE2 3.79Å; H503-F571 AromaticContact CD2-CZ 3.99Å
504	L	96.1	Very high	91.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.5	176.3	174.8	63.5	0	0	0	109	L427 Y474 I492 H493 V506 H557 F559	L427-L504 HydrophobicContact CD1-CD2 4.35Å; Y474-L504 HydrophobicContact CD1-CD2 4.3Å; Y474-L504 HydrophobicContact CE1-CD2 4.15Å; I492-L504 WeakPolarHBondContact CA-O 3.39Å; H493-L504 PolarHBondContact N-O 2.89Å; H493-L504 PolarHBondContact O-N 3.04Å; L504-V506 HydrophobicContact CD1-CG1 4.36Å; L504-V506 HydrophobicContact CD2-CG1 4.11Å; L504-V506 HydrophobicContact CG-CG1 3.95Å; L504-H557 HydrophobicContact CD1-CB 4.12Å; L504-F559 HydrophobicContact CD1-CD1 3.92Å; L504-F559 HydrophobicContact CD1-CE1 3.8Å; L504-F559 HydrophobicContact CD1-CG 4.42Å; L504-F559 HydrophobicContact CD1-CZ 4.21Å
505	L	97.1	Very high	91.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.8	169.7	-175.9	154	0	0	0	108.8	L490 I492 M507 H557 L558 L560 F578 P579 L583	L490-L505 HydrophobicContact CD1-CD1 3.7Å; L490-L505 HydrophobicContact CD1-CD2 3.79Å; L490-L505 HydrophobicContact CD1-CG 3.49Å; L490-L505 VanDerWaalsContact CD1-CG 3.49Å; I492-L505 HydrophobicContact CD1-CD1 4.27Å; I492-L505 HydrophobicContact CG1-CB 4.31Å; I492-L505 HydrophobicContact CG1-CD1 4.21Å; I492-L505 HydrophobicContact CG1-CG 4.18Å; L505-M507 HydrophobicContact CD2-CE 4.38Å; L505-H557 CarbonylContact O-C 3.56Å; L505-H557 WeakPolarHBondContact O-CA 3.43Å; L505-H557 WeakPolarHBondContact O-CB 3.46Å; L505-L558 HydrophobicContact CB-CB 4.5Å; L505-L558 PolarHBondContact N-O 2.82Å; L505-L558 PolarHBondContact O-N 3.09Å; L505-L560 HydrophobicContact CB-CG 4.33Å; L505-L560 HydrophobicContact CD1-CD2 4.47Å; L505-F578 HydrophobicContact CD1-CD2 3.81Å; L505-F578 HydrophobicContact CD1-CE2 4.36Å; L505-P579 WeakPolarHBondContact CD1-O 3.49Å; L505-L583 HydrophobicContact CD2-CD2 3.9Å
506	V	97.9	Very high	91.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.6	176.1	-67.8	0	0	0	0	110.3	I424 L427 C428 L490 S491 L504 H557	I424-V506 HydrophobicContact CB-CG1 4.45Å; I424-V506 HydrophobicContact CG1-CB 4.42Å; I424-V506 HydrophobicContact CG1-CG1 3.93Å; I424-V506 HydrophobicContact CG2-CB 4.07Å; I424-V506 HydrophobicContact CG2-CG1 4.45Å; L427-V506 HydrophobicContact CB-CG2 4.29Å; C428-V506 HydrophobicContact CB-CB 4.27Å; C428-V506 HydrophobicContact CB-CG2 3.76Å; L490-V506 CarbonylContact C-O 3.56Å; L490-V506 WeakPolarHBondContact CA-O 3.32Å; S491-V506 PolarHBondContact N-O 2.87Å; S491-V506 WeakPolarHBondContact O-CG2 3.3Å; S491-V506 PolarHBondContact O-N 3.21Å; S491-V506 WeakPolarHBondContact OG-CG2 3.47Å; L504-V506 HydrophobicContact CD1-CG1 4.36Å; L504-V506 HydrophobicContact CD2-CG1 4.11Å; L504-V506 HydrophobicContact CG-CG1 3.95Å; V506-H557 HydrophobicContact CG1-CB 4.17Å
507	M	97.4	Very high	91.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143	-178.6	-173.9	-172.6	-51.6	0	0	111.4	Y488 Q489 L490 L505 I514 C556 L583	Y488-M507 HydrophobicContact CD2-CE 4.39Å; Y488-M507 HydrophobicContact CD2-CG 4.05Å; Y488-M507 HydrophobicContact CD2-SD 3.85Å; Y488-M507 HydrophobicContact CE2-SD 4.47Å; Y488-M507 HydrophobicContact CG-CG 4.31Å; Y488-M507 HydrophobicContact CG-SD 3.91Å; Q489-M507 CarbonylContact O-C 3.49Å; Q489-M507 VanDerWaalsContact O-CA 3.28Å; Q489-M507 WeakPolarHBondContact O-CA 3.3Å; Q489-M507 VanDerWaalsContact O-CG 3.29Å; Q489-M507 WeakPolarHBondContact O-CG 3.5Å; L490-M507 HydrophobicContact CB-CB 4.36Å; L490-M507 HydrophobicContact CB-CE 4.34Å; L490-M507 HydrophobicContact CB-CG 4.19Å; L505-M507 HydrophobicContact CD2-CE 4.38Å; M507-I514 HydrophobicContact CG-CD1 3.82Å; M507-I514 HydrophobicContact SD-CD1 3.83Å; M507-C556 PolarHBondContact N-O 3.21Å; M507-C556 PolarHBondContact O-N 3.17Å; M507-C556 VanDerWaalsContact O-O 3.12Å; M507-L583 HydrophobicContact CE-CD1 3.36Å; M507-L583 HydrophobicContact SD-CD1 3.91Å
508	K	96.9	Very high	92.1	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.5	171.2	74.5	-179.6	-176.5	-163.6	0	111.1	C428 E453 L456 Y488 Q489 G554 F555	C428-K508 VanDerWaalsContact O-CD 3.28Å; C428-K508 WeakPolarHBondContact O-CD 3.23Å; C428-K508 WeakPolarHBondContact O-CE 3.38Å; C428-K508 PolarHBondContact O-NZ 3.47Å; E453-K508 IonicContact OE1-NZ 3.93Å; E453-K508 PolarHBondContact OE1-NZ 3.27Å; L456-K508 HydrophobicContact CD1-CD 4.45Å; Y488-K508 CarbonylContact C-O 3.56Å; Y488-K508 VanDerWaalsContact CA-O 3.29Å; Y488-K508 WeakPolarHBondContact CA-O 2.74Å; Q489-K508 HydrophobicContact CB-CG 4.27Å; Q489-K508 PolarHBondContact N-O 2.88Å; Q489-K508 PolarHBondContact O-N 2.92Å; K508-G554 WeakPolarHBondContact CA-O 3.23Å; K508-F555 HydrophobicContact CB-CD1 3.65Å; K508-F555 HydrophobicContact CB-CE1 3.63Å; K508-F555 HydrophobicContact CB-CG 4.34Å; K508-F555 HydrophobicContact CB-CZ 4.28Å; K508-F555 HydrophobicContact CD-CE1 3.87Å; K508-F555 HydrophobicContact CD-CZ 4.41Å; K508-F555 HydrophobicContact CG-CE1 4.36Å
509	G	94.8	Very high	92.9	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-164.6	-179	0	0	0	0	0	113.9	K487 G554	K487-G509 WeakPolarHBondContact O-CA 3.02Å; G509-G554 PolarHBondContact N-O 2.91Å; G509-G554 PolarHBondContact O-N 2.59Å
510	A	93.1	Very high	93.7	Very high	21 Å²	21	34.8 Å²	34.8	17%	0.174	17%	0.172	C	C	.	.			trans	-59.3	132.5	172.9	0	0	0	0	0	110	K487 E512 R513 I514	K487-A510 HydrophobicContact CB-CB 4.46Å; K487-A510 PolarHBondContact O-N 3.15Å; K487-A510 VanDerWaalsContact O-N 3.16Å; A510-E512 VanDerWaalsContact C-N 3.31Å; A510-E512 WeakPolarHBondContact CB-OE1 3.22Å; A510-E512 PolarHBondContact O-N 2.98Å; A510-R513 HydrophobicContact CB-CB 4.23Å; A510-R513 HydrophobicContact CB-CG 4.07Å; A510-R513 PolarHBondContact O-N 3.48Å; A510-I514 WeakPolarHBondContact O-CG1 3.4Å; A510-I514 PolarHBondContact O-N 3.02Å
511	P	93.9	Very high	94.3	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.032	16%	0.158	C	C	.	.	H	α-helix	trans	-50	-47.9	-172.4	-30.7	37.3	0	0	0	113.9	R513 I514 L515 F538 Y542 V552 L588	P511-R513 VanDerWaalsContact C-N 3.31Å; P511-R513 PolarHBondContact O-N 3.45Å; P511-I514 PolarHBondContact O-N 3.45Å; P511-L515 PolarHBondContact O-N 3.41Å; P511-F538 HydrophobicContact CB-CZ 3.86Å; P511-Y542 HydrophobicContact CB-CD2 3.98Å; P511-Y542 HydrophobicContact CB-CE2 4.07Å; P511-Y542 HydrophobicContact CG-CD2 3.96Å; P511-Y542 HydrophobicContact CG-CE2 3.79Å; P511-V552 WeakPolarHBondContact CD-O 3.04Å; P511-V552 HydrophobicContact CG-CB 3.97Å; P511-V552 HydrophobicContact CG-CG1 3.91Å; P511-V552 WeakPolarHBondContact CG-O 3.44Å; P511-L588 HydrophobicContact CB-CD2 3.93Å; P511-L588 HydrophobicContact CG-CD2 4.25Å
512	E	92.3	Very high	94.8	Very high	64 Å²	64	30.5 Å²	30.5	30%	0.299	15%	0.148	S	C	.	.	H	α-helix	trans	-63.9	-36.3	-180	71.1	-73.2	176.3	0	0	112.4	A510 D516	A510-E512 VanDerWaalsContact C-N 3.31Å; A510-E512 WeakPolarHBondContact CB-OE1 3.22Å; A510-E512 PolarHBondContact O-N 2.98Å; E512-D516 VanDerWaalsContact O-CG 3.26Å; E512-D516 PolarHBondContact O-N 2.86Å; E512-D516 VanDerWaalsContact O-N 3.14Å
513	R	93.6	Very high	95.2	Very high	113 Å²	113	25.9 Å²	25.9	43%	0.426	13%	0.132	S	C	.	.	H	α-helix	trans	-75	-30.2	-179.6	-65.9	-66.7	171.7	177.9	-2	113.2	K487 A510 P511 R517	K487-R513 HydrophobicContact CB-CG 4.16Å; K487-R513 HydrophobicContact CD-CG 4.28Å; A510-R513 HydrophobicContact CB-CB 4.23Å; A510-R513 HydrophobicContact CB-CG 4.07Å; A510-R513 PolarHBondContact O-N 3.48Å; P511-R513 VanDerWaalsContact C-N 3.31Å; P511-R513 PolarHBondContact O-N 3.45Å; R513-R517 WeakPolarHBondContact O-CG 3.47Å
514	I	95.5	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-75.8	-41.9	175.6	-63.7	-62.8	0	0	0	109.8	M507 A510 P511 D516 R517 C518 C556 F585	M507-I514 HydrophobicContact CG-CD1 3.82Å; M507-I514 HydrophobicContact SD-CD1 3.83Å; A510-I514 WeakPolarHBondContact O-CG1 3.4Å; A510-I514 PolarHBondContact O-N 3.02Å; P511-I514 PolarHBondContact O-N 3.45Å; I514-D516 PolarHBondContact O-N 3.45Å; I514-R517 PolarHBondContact O-N 2.99Å; I514-R517 VanDerWaalsContact O-N 3.16Å; I514-C518 PolarHBondContact O-N 2.66Å; I514-C518 PolarHBondContact O-SG 3.36Å; I514-C556 HydrophobicContact CG2-CB 3.92Å; I514-F585 HydrophobicContact CG2-CD2 3.91Å; I514-F585 HydrophobicContact CG2-CE2 3.89Å
515	L	93.7	Very high	94.8	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.089	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-44.8	177.3	-164.8	76.2	0	0	0	112.1	P511 R517 C518 L530 F538 F585	P511-L515 PolarHBondContact O-N 3.41Å; L515-R517 PolarHBondContact O-N 3.28Å; L515-C518 PolarHBondContact O-N 3.44Å; L515-L530 HydrophobicContact CD1-CD1 4.41Å; L515-L530 HydrophobicContact CD1-CD2 3.86Å; L515-L530 HydrophobicContact CG-CD2 4.29Å; L515-F538 HydrophobicContact CB-CE1 4.24Å; L515-F538 HydrophobicContact CB-CZ 4.11Å; L515-F538 HydrophobicContact CD1-CD1 4.08Å; L515-F538 HydrophobicContact CD1-CD2 3.94Å; L515-F538 HydrophobicContact CD1-CE1 4.24Å; L515-F538 HydrophobicContact CD1-CE2 4.03Å; L515-F538 HydrophobicContact CD1-CG 3.95Å; L515-F538 HydrophobicContact CD1-CZ 4.2Å; L515-F538 HydrophobicContact CD2-CD1 3.61Å; L515-F538 HydrophobicContact CD2-CE1 3.66Å; L515-F538 HydrophobicContact CD2-CG 4.28Å; L515-F538 HydrophobicContact CD2-CZ 4.3Å; L515-F538 HydrophobicContact CG-CD1 4.38Å; L515-F538 HydrophobicContact CG-CE1 4.27Å; L515-F538 HydrophobicContact CG-CZ 4.44Å; L515-F585 HydrophobicContact CD1-CD2 4.5Å
516	D	93.6	Very high	94.6	Very high	122 Å²	122	41.6 Å²	41.6	65%	0.652	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22	178.3	-75.2	-14.7	0	0	0	113.8	E512 I514	E512-D516 VanDerWaalsContact O-CG 3.26Å; E512-D516 PolarHBondContact O-N 2.86Å; E512-D516 VanDerWaalsContact O-N 3.14Å; I514-D516 PolarHBondContact O-N 3.45Å
517	R	94.9	Very high	94.4	Very high	59 Å²	59	46.5 Å²	46.5	22%	0.223	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-2.8	-177.5	-64.2	-176.7	177.4	-76.4	2.5	113.6	R513 I514 L515 D581 N582 L583	R513-R517 WeakPolarHBondContact O-CG 3.47Å; I514-R517 PolarHBondContact O-N 2.99Å; I514-R517 VanDerWaalsContact O-N 3.16Å; L515-R517 PolarHBondContact O-N 3.28Å; R517-D581 IonicContact CZ-OD1 2.96Å; R517-D581 IonicContact NH1-OD1 3.27Å; R517-D581 PolarHBondContact NH1-OD1 3.42Å; R517-D581 CarbonylContact O-C 3.54Å; R517-N582 PolarHBondContact O-N 2.78Å; R517-L583 HydrophobicContact CB-CD1 4.39Å; R517-L583 PolarHBondContact O-N 3.22Å
518	C	96.2	Very high	94.2	Very high	14 Å²	14	50.6 Å²	50.6	10%	0.095	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.7	-178.1	-63.7	0	0	0	0	111.2	I514 L515 C556 L583 F585	I514-C518 PolarHBondContact O-N 2.66Å; I514-C518 PolarHBondContact O-SG 3.36Å; L515-C518 PolarHBondContact O-N 3.44Å; C518-C556 VanDerWaalsContact SG-CB 3.54Å; C518-L583 CarbonylContact C-O 3.53Å; C518-L583 VanDerWaalsContact CA-O 3.24Å; C518-L583 WeakPolarHBondContact CA-O 3.24Å; C518-L583 WeakPolarHBondContact CB-O 3.35Å; C518-F585 HydrophobicContact CB-CB 3.86Å
519	S	95.3	Very high	94.1	Very high	51 Å²	51	54.9 Å²	54.9	36%	0.357	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-20.7	174.6	58.4	0	0	0	0	113	L530 N582 L583	S519-L530 WeakPolarHBondContact O-CB 3.27Å; S519-L530 PolarHBondContact O-N 3.34Å; S519-N582 WeakPolarHBondContact OG-CA 3.29Å; S519-N582 WeakPolarHBondContact OG-CB 3.49Å; S519-N582 PolarHBondContact OG-O 3.22Å; S519-L583 PolarHBondContact N-O 3.21Å
520	S	96.3	Very high	94	Very high	15 Å²	15	55.7 Å²	55.7	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	164.4	174.8	60.5	0	0	0	0	110.8	E527 Q528 L583 C584 F585	S520-E527 PolarHBondContact OG-OE2 2.91Å; S520-Q528 CarbonylContact C-O 3.51Å; S520-Q528 WeakPolarHBondContact CA-O 3.33Å; S520-Q528 VanDerWaalsContact CB-O 3.25Å; S520-Q528 WeakPolarHBondContact CB-O 3.37Å; S520-L583 PolarHBondContact N-O 3.47Å; S520-C584 CarbonylContact O-C 3.54Å; S520-C584 WeakPolarHBondContact O-CA 3.43Å; S520-C584 WeakPolarHBondContact OG-CA 3.39Å; S520-C584 WeakPolarHBondContact OG-CB 3.37Å; S520-F585 PolarHBondContact O-N 3.03Å
521	I	96.6	Very high	93.9	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.1	174.6	-176.9	168	0	0	0	110.1	W392 L523 E527 Q528 L530 L534 F585	W392-I521 HydrophobicContact CH2-CD1 4.05Å; W392-I521 HydrophobicContact CZ3-CD1 4.12Å; I521-L523 HydrophobicContact CG2-CG 4.47Å; I521-E527 WeakPolarHBondContact O-CA 3.46Å; I521-Q528 PolarHBondContact N-O 3.12Å; I521-Q528 PolarHBondContact O-N 3.13Å; I521-L530 HydrophobicContact CB-CD1 3.97Å; I521-L530 HydrophobicContact CD1-CD1 4.37Å; I521-L530 HydrophobicContact CG2-CD1 4.11Å; I521-L534 HydrophobicContact CG2-CD1 3.78Å; I521-F585 CarbonylContact C-O 3.59Å; I521-F585 VanDerWaalsContact CA-O 3.26Å; I521-F585 WeakPolarHBondContact CA-O 3.44Å; I521-F585 HydrophobicContact CB-CB 4.3Å; I521-F585 HydrophobicContact CD1-CD1 3.9Å; I521-F585 HydrophobicContact CG1-CB 4.32Å; I521-F585 HydrophobicContact CG1-CD1 4.07Å
522	L	96.1	Very high	93.8	Very high	14 Å²	14	63.7 Å²	63.7	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116	178.5	-167.4	68.7	0	0	0	110.4	T417 A420 E527 F585 V586	T417-L522 HydrophobicContact CG2-CB 4.29Å; T417-L522 HydrophobicContact CG2-CD2 4.17Å; T417-L522 HydrophobicContact CG2-CG 4.25Å; T417-L522 WeakPolarHBondContact CG2-O 2.96Å; A420-L522 HydrophobicContact CB-CD2 3.5Å; A420-L522 VanDerWaalsContact CB-CD2 3.5Å; L522-E527 HydrophobicContact CD1-CG 4.11Å; L522-F585 PolarHBondContact N-O 2.79Å; L522-V586 HydrophobicContact CB-CG2 4.43Å; L522-V586 HydrophobicContact CD2-CG1 4.28Å; L522-V586 HydrophobicContact CD2-CG2 4.45Å
523	L	94.1	Very high	93.8	Very high	24 Å²	24	68 Å²	68	13%	0.126	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.6	176.4	-68.8	175.7	0	0	0	110.1	I521 G525 K526 Q528 L534	I521-L523 HydrophobicContact CG2-CG 4.47Å; L523-G525 PolarHBondContact O-N 3.33Å; L523-G525 VanDerWaalsContact O-N 3.12Å; L523-K526 PolarHBondContact N-O 3.34Å; L523-K526 PolarHBondContact O-N 3.47Å; L523-Q528 HydrophobicContact CD1-CG 4.46Å; L523-L534 HydrophobicContact CD1-CD1 4.12Å; L523-L534 HydrophobicContact CD1-CD2 4.31Å
524	H	92.7	Very high	93.6	Very high	142 Å²	142	63.5 Å²	63.5	66%	0.657	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	40	-175.3	-55.5	-55.5	0	0	0	113.6	D394 T417	D394-H524 PolarHBondContact OD1-N 2.97Å; D394-H524 IonicContact OD1-ND1 3.21Å; D394-H524 IonicContact OD2-CE1 3.92Å; D394-H524 PolarHBondContact OD2-CE1 3.45Å; D394-H524 IonicContact OD2-CG 2.81Å; D394-H524 IonicContact OD2-ND1 2.77Å; D394-H524 PolarHBondContact OD2-ND1 3.4Å; T417-H524 WeakPolarHBondContact OG1-CA 3.42Å; T417-H524 PolarHBondContact OG1-N 3.36Å; T417-H524 VanDerWaalsContact OG1-N 3.08Å
525	G	89.1	Confident	93.4	Very high	38 Å²	38	66.5 Å²	66.5	39%	0.392	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	4.7	-179	0	0	0	0	0	116.4	T417 L523	T417-G525 PolarHBondContact OG1-N 3.16Å; L523-G525 PolarHBondContact O-N 3.33Å; L523-G525 VanDerWaalsContact O-N 3.12Å
526	K	93.2	Very high	93.4	Very high	155 Å²	155	70.4 Å²	70.4	67%	0.674	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.4	172.7	-66	-175.1	-178.9	178.7	0	110.9	L523	L523-K526 PolarHBondContact N-O 3.34Å; L523-K526 PolarHBondContact O-N 3.47Å
527	E	93.2	Very high	93.3	Very high	102 Å²	102	65.7 Å²	65.7	48%	0.477	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131	173.3	-63.1	-170	-152.1	0	0	110.7	S520 I521 L522	S520-E527 PolarHBondContact OG-OE2 2.91Å; I521-E527 WeakPolarHBondContact O-CA 3.46Å; L522-E527 HydrophobicContact CD1-CG 4.11Å
528	Q	93.4	Very high	93.3	Very high	87 Å²	87	63 Å²	63	41%	0.407	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.7	172.8	-63.4	-170.4	27.7	0	0	109.5	S520 I521 L523	S520-Q528 CarbonylContact C-O 3.51Å; S520-Q528 WeakPolarHBondContact CA-O 3.33Å; S520-Q528 VanDerWaalsContact CB-O 3.25Å; S520-Q528 WeakPolarHBondContact CB-O 3.37Å; I521-Q528 PolarHBondContact N-O 3.12Å; I521-Q528 PolarHBondContact O-N 3.13Å; L523-Q528 HydrophobicContact CD1-CG 4.46Å
529	P	94.4	Very high	93.1	Very high	102 Å²	102	65.7 Å²	65.7	66%	0.662	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	143.2	173.7	27.5	-33.6	0	0	0	110.6	D531	P529-D531 PolarHBondContact O-N 2.87Å; P529-D531 VanDerWaalsContact O-N 3.08Å
530	L	92.3	Very high	93	Very high	20 Å²	20	68.3 Å²	68.3	11%	0.105	35%	0.351	C	S	.	.			trans	-77.8	91.6	178	-169	79.8	0	0	0	109.7	L515 S519 I521 K535	L515-L530 HydrophobicContact CD1-CD1 4.41Å; L515-L530 HydrophobicContact CD1-CD2 3.86Å; L515-L530 HydrophobicContact CG-CD2 4.29Å; S519-L530 WeakPolarHBondContact O-CB 3.27Å; S519-L530 PolarHBondContact O-N 3.34Å; I521-L530 HydrophobicContact CB-CD1 3.97Å; I521-L530 HydrophobicContact CD1-CD1 4.37Å; I521-L530 HydrophobicContact CG2-CD1 4.11Å; L530-K535 HydrophobicContact CD2-CG 4.02Å; L530-K535 HydrophobicContact CG-CG 4.01Å
531	D	91.3	Very high	92.9	Very high	73 Å²	73	67.8 Å²	67.8	39%	0.39	35%	0.348	S	S	.	.			trans	-82.2	171.3	176.7	63.8	11.9	0	0	0	112.8	P529 E533 L534 K535	P529-D531 PolarHBondContact O-N 2.87Å; P529-D531 VanDerWaalsContact O-N 3.08Å; D531-E533 VanDerWaalsContact C-N 3.29Å; D531-E533 PolarHBondContact O-N 3.21Å; D531-L534 PolarHBondContact O-N 3.2Å; D531-L534 VanDerWaalsContact OD1-CB 3.26Å; D531-L534 WeakPolarHBondContact OD1-CB 3.26Å; D531-L534 WeakPolarHBondContact OD1-CD1 3.27Å; D531-L534 WeakPolarHBondContact OD1-CG 3.44Å; D531-L534 PolarHBondContact OD1-N 3.24Å; D531-K535 WeakPolarHBondContact O-CG 3.48Å; D531-K535 PolarHBondContact O-N 3.23Å; D531-K535 VanDerWaalsContact O-N 3.12Å
532	E	91.1	Very high	92.7	Very high	120 Å²	120	71 Å²	71	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-30.5	-178.1	-66.6	-59.9	129.7	0	0	112.4	K535 D536	E532-K535 PolarHBondContact O-N 2.52Å; E532-K535 IonicContact OE1-NZ 2.67Å; E532-K535 PolarHBondContact OE1-NZ 3.32Å; E532-D536 PolarHBondContact O-N 3.46Å
533	E	92.5	Very high	92.4	Very high	155 Å²	155	75.7 Å²	75.7	72%	0.724	39%	0.385	S	S	*	.	H	α-helix	trans	-64.1	-44.4	176.9	-172.2	176.5	171.8	0	0	111.4	D531 D536 A537	D531-E533 VanDerWaalsContact C-N 3.29Å; D531-E533 PolarHBondContact O-N 3.21Å; E533-D536 PolarHBondContact O-N 2.89Å; E533-A537 PolarHBondContact O-N 3.12Å
534	L	90.9	Very high	92.3	Very high	18 Å²	18	80 Å²	80	9%	0.094	41%	0.405	C	S	.	.	H	α-helix	trans	-71.2	-30.3	176.5	-69.4	166.5	0	0	0	112.6	I521 L523 D531 F538	I521-L534 HydrophobicContact CG2-CD1 3.78Å; L523-L534 HydrophobicContact CD1-CD1 4.12Å; L523-L534 HydrophobicContact CD1-CD2 4.31Å; D531-L534 PolarHBondContact O-N 3.2Å; D531-L534 VanDerWaalsContact OD1-CB 3.26Å; D531-L534 WeakPolarHBondContact OD1-CB 3.26Å; D531-L534 WeakPolarHBondContact OD1-CD1 3.27Å; D531-L534 WeakPolarHBondContact OD1-CG 3.44Å; D531-L534 PolarHBondContact OD1-N 3.24Å; L534-F538 WeakPolarHBondContact O-CB 3.39Å; L534-F538 PolarHBondContact O-N 3.39Å
535	K	91.3	Very high	92.3	Very high	63 Å²	63	73.3 Å²	73.3	27%	0.274	37%	0.373	S	S	.	.	H	α-helix	trans	-66.7	-41.7	172	-73.3	179	-168.2	169	0	112.2	L530 D531 E532 F538 Q539	L530-K535 HydrophobicContact CD2-CG 4.02Å; L530-K535 HydrophobicContact CG-CG 4.01Å; D531-K535 WeakPolarHBondContact O-CG 3.48Å; D531-K535 PolarHBondContact O-N 3.23Å; D531-K535 VanDerWaalsContact O-N 3.12Å; E532-K535 PolarHBondContact O-N 2.52Å; E532-K535 IonicContact OE1-NZ 2.67Å; E532-K535 PolarHBondContact OE1-NZ 3.32Å; K535-F538 WeakPolarHBondContact O-CB 3.46Å; K535-F538 PolarHBondContact O-N 3.36Å; K535-Q539 WeakPolarHBondContact O-CG 3.31Å; K535-Q539 PolarHBondContact O-N 3.45Å
536	D	92.4	Very high	92.1	Very high	100 Å²	100	73 Å²	73	54%	0.535	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-43	175.5	-77.8	-16.2	0	0	0	110.8	E532 E533 F538 Q539 N540	E532-D536 PolarHBondContact O-N 3.46Å; E533-D536 PolarHBondContact O-N 2.89Å; D536-F538 VanDerWaalsContact C-N 3.35Å; D536-F538 PolarHBondContact O-N 3.19Å; D536-Q539 PolarHBondContact O-N 3.18Å; D536-N540 VanDerWaalsContact O-CG 3.3Å; D536-N540 PolarHBondContact O-N 3.35Å; D536-N540 PolarHBondContact O-ND2 2.79Å
537	A	92.8	Very high	91.7	Very high	23 Å²	23	68.3 Å²	68.3	19%	0.19	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-41.4	175.1	0	0	0	0	0	112.5	W392 N395 E533 N540 A541	W392-A537 HydrophobicContact CZ2-CB 4.48Å; N395-A537 VanDerWaalsContact OD1-CB 3.28Å; N395-A537 WeakPolarHBondContact OD1-CB 3.38Å; E533-A537 PolarHBondContact O-N 3.12Å; A537-N540 PolarHBondContact O-N 3.3Å; A537-A541 PolarHBondContact O-N 2.79Å
538	F	94.2	Very high	91.5	Very high	2 Å²	2	67 Å²	67	1%	0.009	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-47	171.8	168.2	-82.9	0	0	0	111.8	W392 P511 L515 L534 K535 D536 N540 A541 Y542 F585 L588	W392-F538 HydrophobicContact CE3-CD2 4.36Å; W392-F538 HydrophobicContact CH2-CB 3.86Å; W392-F538 HydrophobicContact CH2-CD2 4.37Å; W392-F538 HydrophobicContact CZ2-CB 4.43Å; W392-F538 HydrophobicContact CZ3-CB 4.21Å; W392-F538 AromaticContact CZ3-CD2 3.86Å; W392-F538 HydrophobicContact CZ3-CD2 3.86Å; P511-F538 HydrophobicContact CB-CZ 3.86Å; L515-F538 HydrophobicContact CB-CE1 4.24Å; L515-F538 HydrophobicContact CB-CZ 4.11Å; L515-F538 HydrophobicContact CD1-CD1 4.08Å; L515-F538 HydrophobicContact CD1-CD2 3.94Å; L515-F538 HydrophobicContact CD1-CE1 4.24Å; L515-F538 HydrophobicContact CD1-CE2 4.03Å; L515-F538 HydrophobicContact CD1-CG 3.95Å; L515-F538 HydrophobicContact CD1-CZ 4.2Å; L515-F538 HydrophobicContact CD2-CD1 3.61Å; L515-F538 HydrophobicContact CD2-CE1 3.66Å; L515-F538 HydrophobicContact CD2-CG 4.28Å; L515-F538 HydrophobicContact CD2-CZ 4.3Å; L515-F538 HydrophobicContact CG-CD1 4.38Å; L515-F538 HydrophobicContact CG-CE1 4.27Å; L515-F538 HydrophobicContact CG-CZ 4.44Å; L534-F538 WeakPolarHBondContact O-CB 3.39Å; L534-F538 PolarHBondContact O-N 3.39Å; K535-F538 WeakPolarHBondContact O-CB 3.46Å; K535-F538 PolarHBondContact O-N 3.36Å; D536-F538 VanDerWaalsContact C-N 3.35Å; D536-F538 PolarHBondContact O-N 3.19Å; F538-N540 VanDerWaalsContact C-N 3.33Å; F538-N540 PolarHBondContact O-N 3.44Å; F538-A541 PolarHBondContact O-N 3.02Å; F538-Y542 WeakPolarHBondContact O-CB 3.27Å; F538-Y542 PolarHBondContact O-N 2.84Å; F538-F585 HydrophobicContact CD2-CE1 4.18Å; F538-F585 HydrophobicContact CD2-CE2 4.45Å; F538-F585 AromaticContact CD2-CZ 3.9Å; F538-F585 HydrophobicContact CD2-CZ 3.9Å; F538-F585 HydrophobicContact CE2-CE1 4.25Å; F538-F585 AromaticContact CE2-CE2 3.83Å; F538-F585 HydrophobicContact CE2-CE2 3.83Å; F538-F585 AromaticContact CE2-CZ 3.51Å; F538-F585 HydrophobicContact CE2-CZ 3.51Å; F538-L588 HydrophobicContact CD2-CD1 4.1Å; F538-L588 HydrophobicContact CD2-CD2 4.39Å; F538-L588 HydrophobicContact CD2-CG 4.3Å; F538-L588 HydrophobicContact CE2-CD1 3.91Å; F538-L588 HydrophobicContact CE2-CD2 3.49Å; F538-L588 VanDerWaalsContact CE2-CD2 3.49Å; F538-L588 HydrophobicContact CE2-CG 3.87Å; F538-L588 HydrophobicContact CZ-CD2 4Å
539	Q	92.6	Very high	91.1	Very high	70 Å²	70	63.3 Å²	63.3	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-40.9	-179.2	-78.2	-63.3	-21.6	0	0	111.6	K535 D536 Y542 L543	K535-Q539 WeakPolarHBondContact O-CG 3.31Å; K535-Q539 PolarHBondContact O-N 3.45Å; D536-Q539 PolarHBondContact O-N 3.18Å; Q539-Y542 PolarHBondContact O-N 3.48Å; Q539-L543 WeakPolarHBondContact O-CB 3.45Å; Q539-L543 WeakPolarHBondContact O-CG 3.47Å; Q539-L543 PolarHBondContact O-N 2.84Å
540	N	93	Very high	90.9	Very high	106 Å²	106	59.4 Å²	59.4	57%	0.567	32%	0.321	S	S	*	.	H	α-helix	trans	-60.7	-48.4	175.1	-70.6	-32.1	0	0	0	111.4	D536 A537 F538 Y542 L543 E544	D536-N540 VanDerWaalsContact O-CG 3.3Å; D536-N540 PolarHBondContact O-N 3.35Å; D536-N540 PolarHBondContact O-ND2 2.79Å; A537-N540 PolarHBondContact O-N 3.3Å; F538-N540 VanDerWaalsContact C-N 3.33Å; F538-N540 PolarHBondContact O-N 3.44Å; N540-Y542 VanDerWaalsContact C-N 3.34Å; N540-Y542 PolarHBondContact O-N 3.18Å; N540-L543 PolarHBondContact O-N 3.19Å; N540-E544 VanDerWaalsContact O-CB 3.3Å; N540-E544 WeakPolarHBondContact O-CB 3.14Å; N540-E544 PolarHBondContact O-N 2.62Å
541	A	94	Very high	90.8	Very high	5 Å²	5	63.6 Å²	63.6	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-40.6	176.9	0	0	0	0	0	112.1	W392 I397 A537 F538 E544 L545	W392-A541 HydrophobicContact CD2-CB 4.22Å; W392-A541 HydrophobicContact CG-CB 3.88Å; I397-A541 HydrophobicContact CD1-CB 4.49Å; A537-A541 PolarHBondContact O-N 2.79Å; F538-A541 PolarHBondContact O-N 3.02Å; A541-E544 PolarHBondContact O-N 3.21Å; A541-L545 WeakPolarHBondContact O-CB 3.47Å; A541-L545 WeakPolarHBondContact O-CG 3.22Å; A541-L545 PolarHBondContact O-N 3.38Å
542	Y	92.8	Very high	91	Very high	71 Å²	71	60.8 Å²	60.8	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-46.1	176.9	171.2	-124.5	0	0	0	112.4	P511 F538 Q539 N540 G546 V552	P511-Y542 HydrophobicContact CB-CD2 3.98Å; P511-Y542 HydrophobicContact CB-CE2 4.07Å; P511-Y542 HydrophobicContact CG-CD2 3.96Å; P511-Y542 HydrophobicContact CG-CE2 3.79Å; F538-Y542 WeakPolarHBondContact O-CB 3.27Å; F538-Y542 PolarHBondContact O-N 2.84Å; Q539-Y542 PolarHBondContact O-N 3.48Å; N540-Y542 VanDerWaalsContact C-N 3.34Å; N540-Y542 PolarHBondContact O-N 3.18Å; Y542-G546 PolarHBondContact O-N 2.89Å; Y542-V552 HydrophobicContact CD2-CB 4.08Å; Y542-V552 HydrophobicContact CD2-CG1 4.2Å; Y542-V552 HydrophobicContact CD2-CG2 4.23Å; Y542-V552 HydrophobicContact CE2-CB 4.2Å; Y542-V552 HydrophobicContact CE2-CG2 4.44Å
543	L	89.8	Confident	91.3	Very high	113 Å²	113	56 Å²	56	59%	0.592	30%	0.298	S	S	*	.	H	α-helix	trans	-68	-36.8	177.9	-70	174.7	0	0	0	112.2	Q539 N540 G547	Q539-L543 WeakPolarHBondContact O-CB 3.45Å; Q539-L543 WeakPolarHBondContact O-CG 3.47Å; Q539-L543 PolarHBondContact O-N 2.84Å; N540-L543 PolarHBondContact O-N 3.19Å; L543-G547 PolarHBondContact O-N 3.15Å
544	E	91.2	Very high	91.5	Very high	116 Å²	116	48.6 Å²	48.6	54%	0.542	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-51.5	176.2	-175.4	173.8	-178	0	0	111.3	I397 N540 A541 G546 G547 L548	I397-E544 HydrophobicContact CD1-CG 4.35Å; I397-E544 WeakPolarHBondContact CD1-OE2 3.39Å; N540-E544 VanDerWaalsContact O-CB 3.3Å; N540-E544 WeakPolarHBondContact O-CB 3.14Å; N540-E544 PolarHBondContact O-N 2.62Å; A541-E544 PolarHBondContact O-N 3.21Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 3.45Å; E544-G547 WeakPolarHBondContact O-CA 3.38Å; E544-G547 PolarHBondContact O-N 3.09Å; E544-G547 VanDerWaalsContact O-N 3.09Å; E544-L548 PolarHBondContact O-N 3.4Å; E544-L548 VanDerWaalsContact O-N 3.08Å
545	L	92.4	Very high	91.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-39.2	177.8	-65	177.5	0	0	0	112	H390 I397 A541 G547 L548 E550 V552	H390-L545 HydrophobicContact CB-CD2 3.53Å; I397-L545 HydrophobicContact CD1-CD2 4.42Å; I397-L545 HydrophobicContact CG2-CD2 4.3Å; A541-L545 WeakPolarHBondContact O-CB 3.47Å; A541-L545 WeakPolarHBondContact O-CG 3.22Å; A541-L545 PolarHBondContact O-N 3.38Å; L545-G547 VanDerWaalsContact C-N 3.32Å; L545-L548 HydrophobicContact CD2-CD1 4.4Å; L545-L548 PolarHBondContact O-N 3.19Å; L545-E550 WeakPolarHBondContact O-CB 3.42Å; L545-E550 PolarHBondContact O-N 3.37Å; L545-V552 HydrophobicContact CB-CG2 3.64Å; L545-V552 HydrophobicContact CD1-CG1 4.36Å
546	G	86.3	Confident	92.2	Very high	31 Å²	31	44.8 Å²	44.8	32%	0.32	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-36	172.4	0	0	0	0	0	112.9	Y542 E544 L548 G549	Y542-G546 PolarHBondContact O-N 2.89Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 3.45Å; G546-L548 VanDerWaalsContact C-N 3.27Å; G546-L548 PolarHBondContact O-N 3.11Å; G546-G549 PolarHBondContact O-N 3.26Å
547	G	84.4	Confident	92.4	Very high	57 Å²	57	40.2 Å²	40.2	59%	0.588	22%	0.222	S	C	*	.	H	α-helix	trans	-66.7	-25.5	175.6	0	0	0	0	0	113.7	L543 E544 L545 G549	L543-G547 PolarHBondContact O-N 3.15Å; E544-G547 WeakPolarHBondContact O-CA 3.38Å; E544-G547 PolarHBondContact O-N 3.09Å; E544-G547 VanDerWaalsContact O-N 3.09Å; L545-G547 VanDerWaalsContact C-N 3.32Å; G547-G549 PolarHBondContact O-N 3.32Å
548	L	87.8	Confident	92.6	Very high	74 Å²	74	40.6 Å²	40.6	39%	0.387	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	3.8	169.6	-66.1	170.4	0	0	0	113	E544 L545 G546 E550 A626	E544-L548 PolarHBondContact O-N 3.4Å; E544-L548 VanDerWaalsContact O-N 3.08Å; L545-L548 HydrophobicContact CD2-CD1 4.4Å; L545-L548 PolarHBondContact O-N 3.19Å; G546-L548 VanDerWaalsContact C-N 3.27Å; G546-L548 PolarHBondContact O-N 3.11Å; L548-E550 HydrophobicContact CB-CG 3.86Å; L548-E550 PolarHBondContact O-N 2.99Å; L548-A626 WeakPolarHBondContact O-CB 3.31Å
549	G	85.5	Confident	92.6	Very high	11 Å²	11	42.5 Å²	42.5	11%	0.113	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	19.4	179.9	0	0	0	0	0	113.4	G546 G547 T623	G546-G549 PolarHBondContact O-N 3.26Å; G547-G549 PolarHBondContact O-N 3.32Å; G549-T623 PolarHBondContact O-OG1 2.88Å
550	E	91.2	Very high	92.6	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.093	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-92.9	147.7	-178.8	-49.8	-174.2	156.9	0	0	111.1	A389 H390 L545 L548 S590 I592	A389-E550 VanDerWaalsContact CB-OE1 3.26Å; A389-E550 WeakPolarHBondContact CB-OE1 3.42Å; H390-E550 IonicContact CE1-OE1 3.86Å; H390-E550 PolarHBondContact CE1-OE1 3.37Å; H390-E550 IonicContact CE1-OE2 3.91Å; H390-E550 IonicContact CG-OE2 3Å; H390-E550 IonicContact ND1-OE1 2.71Å; H390-E550 PolarHBondContact ND1-OE1 3.22Å; H390-E550 IonicContact ND1-OE2 3.65Å; H390-E550 PolarHBondContact ND1-OE2 3.35Å; L545-E550 WeakPolarHBondContact O-CB 3.42Å; L545-E550 PolarHBondContact O-N 3.37Å; L548-E550 HydrophobicContact CB-CG 3.86Å; L548-E550 PolarHBondContact O-N 2.99Å; E550-S590 WeakPolarHBondContact OE2-CB 3.32Å; E550-S590 PolarHBondContact OE2-OG 2.63Å; E550-I592 HydrophobicContact CG-CB 4.16Å; E550-I592 HydrophobicContact CG-CD1 4.11Å
551	R	90.4	Very high	92.6	Very high	108 Å²	108	36.7 Å²	36.7	41%	0.408	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.8	172.8	-179.9	173.3	172.9	168.5	-6.3	109.5	E223 S590 M591	E223-R551 IonicContact OE1-NH1 3.42Å; E223-R551 PolarHBondContact OE1-NH1 2.8Å; R551-S590 CarbonylContact O-C 3.58Å; R551-S590 VanDerWaalsContact O-CA 3.24Å; R551-S590 WeakPolarHBondContact O-CA 3.46Å; R551-M591 HydrophobicContact CB-CG 4.18Å; R551-M591 PolarHBondContact N-O 2.95Å; R551-M591 PolarHBondContact O-N 2.75Å
552	V	94.6	Very high	92.4	Very high	13 Å²	13	39 Å²	39	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.9	-176.4	-165.8	0	0	0	0	111.3	P511 Y542 L545 L588	P511-V552 WeakPolarHBondContact CD-O 3.04Å; P511-V552 HydrophobicContact CG-CB 3.97Å; P511-V552 HydrophobicContact CG-CG1 3.91Å; P511-V552 WeakPolarHBondContact CG-O 3.44Å; Y542-V552 HydrophobicContact CD2-CB 4.08Å; Y542-V552 HydrophobicContact CD2-CG1 4.2Å; Y542-V552 HydrophobicContact CD2-CG2 4.23Å; Y542-V552 HydrophobicContact CE2-CB 4.2Å; Y542-V552 HydrophobicContact CE2-CG2 4.44Å; L545-V552 HydrophobicContact CB-CG2 3.64Å; L545-V552 HydrophobicContact CD1-CG1 4.36Å; V552-L588 HydrophobicContact CG1-CB 3.97Å; V552-L588 HydrophobicContact CG1-CD1 4.13Å; V552-L588 HydrophobicContact CG1-CD2 3.97Å; V552-L588 HydrophobicContact CG1-CG 4.26Å
553	L	96.4	Very high	92.3	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.5	173.1	-67.1	177.5	0	0	0	110.6	L456 F555 L588 I589 M591	L456-L553 HydrophobicContact CD1-CD1 4.34Å; L553-F555 HydrophobicContact CB-CD2 4.49Å; L553-F555 HydrophobicContact CB-CE2 3.6Å; L553-F555 HydrophobicContact CB-CZ 4.02Å; L553-F555 HydrophobicContact CD1-CZ 4.36Å; L553-F555 WeakPolarHBondContact O-CD2 3.33Å; L553-F555 WeakPolarHBondContact O-CE2 3.29Å; L553-L588 VanDerWaalsContact O-CA 3.32Å; L553-L588 WeakPolarHBondContact O-CA 3.44Å; L553-I589 PolarHBondContact N-O 3.32Å; L553-I589 PolarHBondContact O-N 2.88Å; L553-M591 HydrophobicContact CD1-CE 3.77Å; L553-M591 HydrophobicContact CG-CE 4.46Å
554	G	97.4	Very high	92.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.6	172.8	0	0	0	0	0	112.4	K508 G509	K508-G554 WeakPolarHBondContact CA-O 3.23Å; G509-G554 PolarHBondContact N-O 2.91Å; G509-G554 PolarHBondContact O-N 2.59Å
555	F	98.2	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.8	-177.7	-65.8	-96.8	0	0	0	110.7	L421 I424 A425 L456 K508 L553 V586 G587 I589	L421-F555 HydrophobicContact CD1-CB 3.54Å; L421-F555 HydrophobicContact CD1-CD2 4.16Å; L421-F555 HydrophobicContact CD1-CG 3.87Å; I424-F555 HydrophobicContact CB-CD1 4.34Å; I424-F555 HydrophobicContact CD1-CB 4.48Å; I424-F555 HydrophobicContact CG2-CB 4.07Å; I424-F555 HydrophobicContact CG2-CD1 3.68Å; I424-F555 HydrophobicContact CG2-CG 4.36Å; A425-F555 HydrophobicContact CB-CE1 4.18Å; L456-F555 HydrophobicContact CD1-CE1 4.18Å; L456-F555 HydrophobicContact CD1-CZ 3.82Å; L456-F555 HydrophobicContact CD2-CZ 3.9Å; K508-F555 HydrophobicContact CB-CD1 3.65Å; K508-F555 HydrophobicContact CB-CE1 3.63Å; K508-F555 HydrophobicContact CB-CG 4.34Å; K508-F555 HydrophobicContact CB-CZ 4.28Å; K508-F555 HydrophobicContact CD-CE1 3.87Å; K508-F555 HydrophobicContact CD-CZ 4.41Å; K508-F555 HydrophobicContact CG-CE1 4.36Å; L553-F555 HydrophobicContact CB-CD2 4.49Å; L553-F555 HydrophobicContact CB-CE2 3.6Å; L553-F555 HydrophobicContact CB-CZ 4.02Å; L553-F555 HydrophobicContact CD1-CZ 4.36Å; L553-F555 WeakPolarHBondContact O-CD2 3.33Å; L553-F555 WeakPolarHBondContact O-CE2 3.29Å; F555-V586 PolarHBondContact O-N 3.33Å; F555-G587 PolarHBondContact N-O 3.46Å; F555-G587 PolarHBondContact O-N 3.49Å; F555-I589 HydrophobicContact CD2-CB 4.25Å; F555-I589 HydrophobicContact CD2-CD1 4.08Å; F555-I589 HydrophobicContact CD2-CG1 3.8Å; F555-I589 HydrophobicContact CE1-CD1 4.4Å; F555-I589 HydrophobicContact CE2-CB 3.58Å; F555-I589 HydrophobicContact CE2-CD1 3.74Å; F555-I589 HydrophobicContact CE2-CG1 3.55Å; F555-I589 HydrophobicContact CZ-CB 4.26Å; F555-I589 HydrophobicContact CZ-CD1 3.9Å; F555-I589 HydrophobicContact CZ-CG1 4.22Å
556	C	97.9	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.6	176.8	66.4	0	0	0	0	111.4	M507 I514 C518 L583 C584	M507-C556 PolarHBondContact N-O 3.21Å; M507-C556 PolarHBondContact O-N 3.17Å; M507-C556 VanDerWaalsContact O-O 3.12Å; I514-C556 HydrophobicContact CG2-CB 3.92Å; C518-C556 VanDerWaalsContact SG-CB 3.54Å; C556-L583 HydrophobicContact CB-CB 4.37Å; C556-L583 VanDerWaalsContact SG-CD1 3.59Å; C556-C584 CarbonylContact C-O 3.59Å; C556-C584 VanDerWaalsContact CA-O 3.27Å; C556-C584 WeakPolarHBondContact CA-O 3.42Å; C556-C584 WeakPolarHBondContact CB-O 3.44Å
557	H	97.3	Very high	92	Very high	5 Å²	5	49 Å²	49	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	167.9	174.9	71.6	164.9	0	0	0	111.5	I424 L504 L505 V506 F559 C584 V586	I424-H557 HydrophobicContact CD1-CB 3.84Å; I424-H557 HydrophobicContact CG1-CB 4.07Å; L504-H557 HydrophobicContact CD1-CB 4.12Å; L505-H557 CarbonylContact O-C 3.56Å; L505-H557 WeakPolarHBondContact O-CA 3.43Å; L505-H557 WeakPolarHBondContact O-CB 3.46Å; V506-H557 HydrophobicContact CG1-CB 4.17Å; H557-F559 AromaticContact CE1-CE2 3.66Å; H557-C584 PolarHBondContact N-O 3.43Å; H557-C584 WeakPolarHBondContact O-CA 3.35Å; H557-C584 WeakPolarHBondContact O-CB 3.37Å; H557-C584 PolarHBondContact O-N 3.17Å; H557-V586 WeakPolarHBondContact CD2-CG2 3.43Å
558	L	96.6	Very high	92	Very high	31 Å²	31	49.3 Å²	49.3	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	133.6	168.9	-176.4	67.9	0	0	0	109.4	L505 L560 P579 L583	L505-L558 HydrophobicContact CB-CB 4.5Å; L505-L558 PolarHBondContact N-O 2.82Å; L505-L558 PolarHBondContact O-N 3.09Å; L558-L560 HydrophobicContact CD2-CD2 4.11Å; L558-P579 HydrophobicContact CD2-CB 4.19Å; L558-P579 HydrophobicContact CD2-CG 3.66Å; L558-L583 HydrophobicContact CB-CD2 3.61Å; L558-L583 HydrophobicContact CD2-CD2 3.85Å; L558-L583 HydrophobicContact CG-CD2 4.31Å
559	F	94.7	Very high	92.2	Very high	42 Å²	42	48.7 Å²	48.7	18%	0.184	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116	167.1	-65.3	-80.5	0	0	0	108.8	E500 P501 L504 H557	E500-F559 HydrophobicContact CB-CE1 4.44Å; P501-F559 HydrophobicContact CB-CB 4.06Å; P501-F559 HydrophobicContact CG-CB 3.8Å; L504-F559 HydrophobicContact CD1-CD1 3.92Å; L504-F559 HydrophobicContact CD1-CE1 3.8Å; L504-F559 HydrophobicContact CD1-CG 4.42Å; L504-F559 HydrophobicContact CD1-CZ 4.21Å; H557-F559 AromaticContact CE1-CE2 3.66Å
560	L	93.9	Very high	92.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.3	-178.6	-63.9	178.6	0	0	0	109.7	I492 P501 H503 L505 L558 D562 F565 F571 P579	I492-L560 HydrophobicContact CD1-CD1 4.31Å; I492-L560 HydrophobicContact CG2-CD1 4.3Å; P501-L560 WeakPolarHBondContact CB-O 3.4Å; H503-L560 HydrophobicContact CB-CB 3.99Å; H503-L560 HydrophobicContact CB-CD1 4.08Å; H503-L560 HydrophobicContact CB-CG 4.43Å; H503-L560 PolarHBondContact O-N 3.28Å; L505-L560 HydrophobicContact CB-CG 4.33Å; L505-L560 HydrophobicContact CD1-CD2 4.47Å; L558-L560 HydrophobicContact CD2-CD2 4.11Å; L560-D562 PolarHBondContact O-N 3.25Å; L560-F565 HydrophobicContact CB-CB 4.37Å; L560-F565 HydrophobicContact CB-CD2 3.76Å; L560-F565 HydrophobicContact CB-CE2 4.38Å; L560-F565 HydrophobicContact CB-CG 4.2Å; L560-F565 HydrophobicContact CD1-CD2 4.45Å; L560-F565 HydrophobicContact CD1-CG 4.37Å; L560-F565 HydrophobicContact CD2-CD2 4.41Å; L560-F565 HydrophobicContact CD2-CE2 4.21Å; L560-F565 HydrophobicContact CG-CD2 4.44Å; L560-F571 HydrophobicContact CD1-CE1 3.68Å; L560-F571 HydrophobicContact CD1-CZ 3.92Å; L560-P579 HydrophobicContact CD2-CG 3.44Å; L560-P579 VanDerWaalsContact CD2-CG 3.44Å
561	P	92.9	Very high	92.4	Very high	54 Å²	54	56.5 Å²	56.5	35%	0.351	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.6	125.5	-175.7	23	-30.6	0	0	0	111.5	E563 Q564 F565	P561-E563 PolarHBondContact O-N 3.45Å; P561-E563 VanDerWaalsContact O-N 3.11Å; P561-Q564 HydrophobicContact CG-CB 4.18Å; P561-Q564 HydrophobicContact CG-CG 4.1Å; P561-Q564 PolarHBondContact O-N 3.4Å; P561-F565 HydrophobicContact CG-CD2 4.36Å; P561-F565 HydrophobicContact CG-CE2 4.48Å; P561-F565 PolarHBondContact O-N 3.28Å
562	D	89.4	Confident	92.3	Very high	53 Å²	53	54.6 Å²	54.6	28%	0.283	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.9	-178.7	-82.6	16.5	0	0	0	113.5	P501 R502 L560 Q564 F565	P501-D562 WeakPolarHBondContact CA-OD1 3.31Å; R502-D562 WeakPolarHBondContact CG-OD2 3.39Å; R502-D562 IonicContact CZ-OD2 2.67Å; R502-D562 PolarHBondContact N-OD1 3.18Å; R502-D562 IonicContact NE-OD2 2.93Å; R502-D562 PolarHBondContact NE-OD2 2.96Å; R502-D562 IonicContact NH2-OD2 3.98Å; L560-D562 PolarHBondContact O-N 3.25Å; D562-Q564 VanDerWaalsContact C-N 3.3Å; D562-Q564 PolarHBondContact O-N 3.01Å; D562-F565 CarbonylContact O-C 3.59Å
563	E	89.5	Confident	92	Very high	194 Å²	194	56.3 Å²	56.3	91%	0.907	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.7	177.6	-63.9	-177.9	179.6	0	0	112.6	P561	P561-E563 PolarHBondContact O-N 3.45Å; P561-E563 VanDerWaalsContact O-N 3.11Å
564	Q	89.7	Confident	91.3	Very high	133 Å²	133	62.1 Å²	62.1	62%	0.621	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-32.4	-179.6	-61.9	178.1	6.4	0	0	111.7	P561 D562 P566	P561-Q564 HydrophobicContact CG-CB 4.18Å; P561-Q564 HydrophobicContact CG-CG 4.1Å; P561-Q564 PolarHBondContact O-N 3.4Å; D562-Q564 VanDerWaalsContact C-N 3.3Å; D562-Q564 PolarHBondContact O-N 3.01Å; Q564-P566 WeakPolarHBondContact O-CD 3.34Å
565	F	92.3	Very high	90.7	Very high	13 Å²	13	68.4 Å²	68.4	6%	0.057	36%	0.363	C	S	.	.	S	Bend	trans	-123.5	75.6	-174.7	-57.8	-80.1	0	0	0	110.8	H503 L560 P561 D562 F569 F571 F578	H503-F565 PolarHBondContact CE1-O 3.02Å; H503-F565 VanDerWaalsContact CE1-O 3.31Å; H503-F565 PolarHBondContact ND1-O 3.15Å; L560-F565 HydrophobicContact CB-CB 4.37Å; L560-F565 HydrophobicContact CB-CD2 3.76Å; L560-F565 HydrophobicContact CB-CE2 4.38Å; L560-F565 HydrophobicContact CB-CG 4.2Å; L560-F565 HydrophobicContact CD1-CD2 4.45Å; L560-F565 HydrophobicContact CD1-CG 4.37Å; L560-F565 HydrophobicContact CD2-CD2 4.41Å; L560-F565 HydrophobicContact CD2-CE2 4.21Å; L560-F565 HydrophobicContact CG-CD2 4.44Å; P561-F565 HydrophobicContact CG-CD2 4.36Å; P561-F565 HydrophobicContact CG-CE2 4.48Å; P561-F565 PolarHBondContact O-N 3.28Å; D562-F565 CarbonylContact O-C 3.59Å; F565-F569 AromaticContact CD1-CD1 3.82Å; F565-F569 HydrophobicContact CD1-CD1 3.82Å; F565-F569 HydrophobicContact CD1-CD2 4.35Å; F565-F569 AromaticContact CD1-CE1 3.68Å; F565-F569 HydrophobicContact CD1-CE1 3.68Å; F565-F569 HydrophobicContact CD1-CE2 4.23Å; F565-F569 HydrophobicContact CD1-CG 4.15Å; F565-F569 AromaticContact CD1-CZ 3.9Å; F565-F569 HydrophobicContact CD1-CZ 3.9Å; F565-F569 HydrophobicContact CE1-CD1 4.5Å; F565-F569 AromaticContact CE1-CE1 3.91Å; F565-F569 HydrophobicContact CE1-CE1 3.91Å; F565-F569 AromaticContact CE1-CZ 3.95Å; F565-F569 HydrophobicContact CE1-CZ 3.95Å; F565-F571 HydrophobicContact CB-CZ 4.39Å; F565-F571 AromaticContact CD1-CE1 3.69Å; F565-F571 HydrophobicContact CD1-CE1 3.69Å; F565-F571 HydrophobicContact CD1-CZ 4.21Å; F565-F571 HydrophobicContact CE1-CE1 4.2Å; F565-F571 HydrophobicContact CG-CE1 4.38Å; F565-F578 HydrophobicContact CE1-CB 4.23Å; F565-F578 HydrophobicContact CZ-CB 4.44Å
566	P	89.4	Confident	90.1	Very high	73 Å²	73	71.5 Å²	71.5	47%	0.474	38%	0.381	S	S	.	.			trans	-67.7	164.4	-178.1	29.3	-36.5	0	0	0	112.3	H503 Q564 G568 F569	H503-P566 PolarHBondContact CE1-O 3.13Å; Q564-P566 WeakPolarHBondContact O-CD 3.34Å; P566-G568 PolarHBondContact O-N 3.23Å; P566-G568 VanDerWaalsContact O-N 3.17Å; P566-F569 VanDerWaalsContact O-CB 3.28Å; P566-F569 WeakPolarHBondContact O-CB 3.46Å; P566-F569 PolarHBondContact O-N 3.26Å
567	E	82.7	Confident	89.8	Confident	128 Å²	128	74.3 Å²	74.3	60%	0.598	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	118.5	179.1	-168.6	168.2	177.5	0	0	111.5	R502	R502-E567 IonicContact NH1-OE2 3.15Å; R502-E567 PolarHBondContact NH1-OE2 3.02Å; R502-E567 VanDerWaalsContact NH1-OE2 3.12Å
568	G	84.1	Confident	89.5	Confident	63 Å²	63	74.7 Å²	74.7	65%	0.649	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	4.7	-174.5	0	0	0	0	0	115.1	P566 Q570	P566-G568 PolarHBondContact O-N 3.23Å; P566-G568 VanDerWaalsContact O-N 3.17Å; G568-Q570 PolarHBondContact O-N 3.15Å
569	F	91.1	Very high	89.4	Confident	62 Å²	62	75.2 Å²	75.2	27%	0.272	40%	0.403	S	S	.	.			trans	-53.1	133.6	169.1	-175.5	-90.8	0	0	0	111.2	F565 P566 F571 N577	F565-F569 AromaticContact CD1-CD1 3.82Å; F565-F569 HydrophobicContact CD1-CD1 3.82Å; F565-F569 HydrophobicContact CD1-CD2 4.35Å; F565-F569 AromaticContact CD1-CE1 3.68Å; F565-F569 HydrophobicContact CD1-CE1 3.68Å; F565-F569 HydrophobicContact CD1-CE2 4.23Å; F565-F569 HydrophobicContact CD1-CG 4.15Å; F565-F569 AromaticContact CD1-CZ 3.9Å; F565-F569 HydrophobicContact CD1-CZ 3.9Å; F565-F569 HydrophobicContact CE1-CD1 4.5Å; F565-F569 AromaticContact CE1-CE1 3.91Å; F565-F569 HydrophobicContact CE1-CE1 3.91Å; F565-F569 AromaticContact CE1-CZ 3.95Å; F565-F569 HydrophobicContact CE1-CZ 3.95Å; P566-F569 VanDerWaalsContact O-CB 3.28Å; P566-F569 WeakPolarHBondContact O-CB 3.46Å; P566-F569 PolarHBondContact O-N 3.26Å; F569-F571 AromaticContact CD1-CD1 3.66Å; F569-F571 HydrophobicContact CD1-CD1 3.66Å; F569-F571 HydrophobicContact CD1-CD2 4.13Å; F569-F571 AromaticContact CD1-CE1 3.57Å; F569-F571 HydrophobicContact CD1-CE1 3.57Å; F569-F571 HydrophobicContact CD1-CE2 4.05Å; F569-F571 AromaticContact CD1-CG 3.96Å; F569-F571 HydrophobicContact CD1-CG 3.96Å; F569-F571 AromaticContact CD1-CZ 3.78Å; F569-F571 HydrophobicContact CD1-CZ 3.78Å; F569-F571 AromaticContact CE1-CD1 3.71Å; F569-F571 HydrophobicContact CE1-CD1 3.71Å; F569-F571 AromaticContact CE1-CE1 3.85Å; F569-F571 HydrophobicContact CE1-CE1 3.85Å; F569-F571 HydrophobicContact CE1-CG 4.26Å; F569-N577 WeakPolarHBondContact CE1-ND2 3.16Å
570	Q	89.8	Confident	89.2	Confident	171 Å²	171	75 Å²	75	80%	0.799	40%	0.404	S	S	*	.			trans	-89.2	109.2	178.1	-69.7	-170.5	-9.9	0	0	109.6	G568 N577	G568-Q570 PolarHBondContact O-N 3.15Å; Q570-N577 PolarHBondContact O-ND2 3.22Å
571	F	92.4	Very high	89.2	Confident	23 Å²	23	78.6 Å²	78.6	10%	0.101	42%	0.423	C	S	.	.			trans	-81.7	128.2	173.9	-62.4	-79.8	0	0	0	110	I477 V478 I492 H503 L560 F565 F569 N577 F578	I477-F571 HydrophobicContact CD1-CE2 4.15Å; I477-F571 HydrophobicContact CG2-CD2 4.04Å; V478-F571 HydrophobicContact CB-CB 4.24Å; V478-F571 HydrophobicContact CG1-CB 3.6Å; V478-F571 HydrophobicContact CG1-CG 4.18Å; I492-F571 HydrophobicContact CD1-CB 4.34Å; I492-F571 HydrophobicContact CD1-CD1 3.49Å; I492-F571 VanDerWaalsContact CD1-CD1 3.49Å; I492-F571 HydrophobicContact CD1-CD2 4.42Å; I492-F571 HydrophobicContact CD1-CE1 3.79Å; I492-F571 HydrophobicContact CD1-CG 3.83Å; I492-F571 HydrophobicContact CD1-CZ 4.38Å; I492-F571 HydrophobicContact CG2-CD2 4.45Å; I492-F571 HydrophobicContact CG2-CE2 4.06Å; I492-F571 HydrophobicContact CG2-CZ 4.09Å; H503-F571 HydrophobicContact CB-CZ 4.4Å; H503-F571 AromaticContact CD2-CE2 3.79Å; H503-F571 AromaticContact CD2-CZ 3.99Å; L560-F571 HydrophobicContact CD1-CE1 3.68Å; L560-F571 HydrophobicContact CD1-CZ 3.92Å; F565-F571 HydrophobicContact CB-CZ 4.39Å; F565-F571 AromaticContact CD1-CE1 3.69Å; F565-F571 HydrophobicContact CD1-CE1 3.69Å; F565-F571 HydrophobicContact CD1-CZ 4.21Å; F565-F571 HydrophobicContact CE1-CE1 4.2Å; F565-F571 HydrophobicContact CG-CE1 4.38Å; F569-F571 AromaticContact CD1-CD1 3.66Å; F569-F571 HydrophobicContact CD1-CD1 3.66Å; F569-F571 HydrophobicContact CD1-CD2 4.13Å; F569-F571 AromaticContact CD1-CE1 3.57Å; F569-F571 HydrophobicContact CD1-CE1 3.57Å; F569-F571 HydrophobicContact CD1-CE2 4.05Å; F569-F571 AromaticContact CD1-CG 3.96Å; F569-F571 HydrophobicContact CD1-CG 3.96Å; F569-F571 AromaticContact CD1-CZ 3.78Å; F569-F571 HydrophobicContact CD1-CZ 3.78Å; F569-F571 AromaticContact CE1-CD1 3.71Å; F569-F571 HydrophobicContact CE1-CD1 3.71Å; F569-F571 AromaticContact CE1-CE1 3.85Å; F569-F571 HydrophobicContact CE1-CE1 3.85Å; F569-F571 HydrophobicContact CE1-CG 4.26Å; F571-N577 WeakPolarHBondContact CA-OD1 3.22Å; F571-F578 HydrophobicContact CB-CD1 4.23Å; F571-F578 HydrophobicContact CB-CE1 4.35Å; F571-F578 HydrophobicContact CD1-CB 4.12Å; F571-F578 AromaticContact CD1-CD1 3.75Å; F571-F578 HydrophobicContact CD1-CD1 3.75Å; F571-F578 HydrophobicContact CD1-CG 4.24Å; F571-F578 HydrophobicContact CE1-CB 4.3Å; F571-F578 HydrophobicContact CG-CD1 4.45Å
572	D	88.8	Confident	89.3	Confident	69 Å²	69	81.4 Å²	81.4	37%	0.369	44%	0.435	S	S	.	.			trans	-105.3	130.3	178.5	-164.9	-33	0	0	0	109.9	D574 D575 N577 F578	D572-D574 PolarHBondContact OD1-N 2.9Å; D572-D575 PolarHBondContact OD1-N 2.59Å; D572-N577 PolarHBondContact N-OD1 3.43Å; D572-F578 VanDerWaalsContact O-CE1 3.29Å; D572-F578 WeakPolarHBondContact O-CE1 3.19Å
573	T	87	Confident	89.6	Confident	49 Å²	49	78.9 Å²	78.9	30%	0.301	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-24.5	-179.6	51.8	0	0	0	0	113.7	V478 I480	V478-T573 HydrophobicContact CG2-CG2 3.13Å; I480-T573 HydrophobicContact CG1-CG2 4.01Å
574	D	82.3	Confident	90	Very high	142 Å²	142	69.6 Å²	69.6	76%	0.759	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-48.1	-176.3	-65.2	-22.8	0	0	0	109.3	D572	D572-D574 PolarHBondContact OD1-N 2.9Å
575	D	85.1	Confident	90.4	Very high	132 Å²	132	63.3 Å²	63.3	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	84.6	170.4	-76.8	-34.1	0	0	0	110	D572 N577	D572-D575 PolarHBondContact OD1-N 2.59Å; D575-N577 PolarHBondContact O-N 3.4Å
576	V	85.6	Confident	90.6	Very high	64 Å²	64	62.8 Å²	62.8	39%	0.388	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	106	-172.2	-177.4	0	0	0	0	112	I480 F578 I580	I480-V576 HydrophobicContact CD1-CG2 4.46Å; V576-F578 HydrophobicContact CG1-CD1 4.5Å; V576-F578 HydrophobicContact CG1-CD2 4.02Å; V576-F578 HydrophobicContact CG1-CE1 4.3Å; V576-F578 HydrophobicContact CG1-CE2 3.76Å; V576-F578 HydrophobicContact CG1-CG 4.38Å; V576-F578 HydrophobicContact CG1-CZ 3.92Å; V576-F578 WeakPolarHBondContact CG1-O 3.18Å; V576-I580 HydrophobicContact CG1-CG2 3.75Å
577	N	90.3	Very high	91	Very high	60 Å²	60	59.3 Å²	59.3	32%	0.321	32%	0.324	S	S	.	.			trans	-104.7	19.1	-174.6	70.6	-10.7	0	0	0	114.1	F569 Q570 F571 D572 D575	F569-N577 WeakPolarHBondContact CE1-ND2 3.16Å; Q570-N577 PolarHBondContact O-ND2 3.22Å; F571-N577 WeakPolarHBondContact CA-OD1 3.22Å; D572-N577 PolarHBondContact N-OD1 3.43Å; D575-N577 PolarHBondContact O-N 3.4Å
578	F	92.4	Very high	91.7	Very high	12 Å²	12	53.2 Å²	53.2	5%	0.053	30%	0.295	C	S	.	.	S	Bend	trans	-137.5	157.2	-179.4	50.6	-97	0	0	0	110.4	I480 L490 I492 L505 F565 F571 D572 V576 I580	I480-F578 HydrophobicContact CD1-CZ 4.06Å; L490-F578 HydrophobicContact CD1-CE2 4.15Å; L490-F578 HydrophobicContact CD2-CE2 3.57Å; L490-F578 HydrophobicContact CD2-CZ 3.93Å; L490-F578 HydrophobicContact CG-CE2 4.44Å; I492-F578 HydrophobicContact CD1-CB 4.36Å; I492-F578 HydrophobicContact CD1-CD1 3.84Å; I492-F578 HydrophobicContact CD1-CD2 4.04Å; I492-F578 HydrophobicContact CD1-CE1 4.09Å; I492-F578 HydrophobicContact CD1-CE2 4.3Å; I492-F578 HydrophobicContact CD1-CG 3.8Å; I492-F578 HydrophobicContact CD1-CZ 4.31Å; L505-F578 HydrophobicContact CD1-CD2 3.81Å; L505-F578 HydrophobicContact CD1-CE2 4.36Å; F565-F578 HydrophobicContact CE1-CB 4.23Å; F565-F578 HydrophobicContact CZ-CB 4.44Å; F571-F578 HydrophobicContact CB-CD1 4.23Å; F571-F578 HydrophobicContact CB-CE1 4.35Å; F571-F578 HydrophobicContact CD1-CB 4.12Å; F571-F578 AromaticContact CD1-CD1 3.75Å; F571-F578 HydrophobicContact CD1-CD1 3.75Å; F571-F578 HydrophobicContact CD1-CG 4.24Å; F571-F578 HydrophobicContact CE1-CB 4.3Å; F571-F578 HydrophobicContact CG-CD1 4.45Å; D572-F578 VanDerWaalsContact O-CE1 3.29Å; D572-F578 WeakPolarHBondContact O-CE1 3.19Å; V576-F578 HydrophobicContact CG1-CD1 4.5Å; V576-F578 HydrophobicContact CG1-CD2 4.02Å; V576-F578 HydrophobicContact CG1-CE1 4.3Å; V576-F578 HydrophobicContact CG1-CE2 3.76Å; V576-F578 HydrophobicContact CG1-CG 4.38Å; V576-F578 HydrophobicContact CG1-CZ 3.92Å; V576-F578 WeakPolarHBondContact CG1-O 3.18Å; F578-I580 HydrophobicContact CD2-CG2 4.26Å; F578-I580 HydrophobicContact CE2-CG2 4.06Å; F578-I580 PolarHBondContact O-N 2.87Å
579	P	93.1	Very high	92.3	Very high	42 Å²	42	50.3 Å²	50.3	27%	0.273	27%	0.265	S	S	.	.			trans	-66.5	134.4	-177.1	26.9	-35.7	0	0	0	112.2	L505 L558 L560	L505-P579 WeakPolarHBondContact CD1-O 3.49Å; L558-P579 HydrophobicContact CD2-CB 4.19Å; L558-P579 HydrophobicContact CD2-CG 3.66Å; L560-P579 HydrophobicContact CD2-CG 3.44Å; L560-P579 VanDerWaalsContact CD2-CG 3.44Å
580	I	92.1	Very high	92.6	Very high	39 Å²	39	47.3 Å²	47.3	20%	0.2	25%	0.252	C	S	.	.			trans	-117	-3.6	174.4	56.7	171.7	0	0	0	113	V576 F578	V576-I580 HydrophobicContact CG1-CG2 3.75Å; F578-I580 HydrophobicContact CD2-CG2 4.26Å; F578-I580 HydrophobicContact CE2-CG2 4.06Å; F578-I580 PolarHBondContact O-N 2.87Å
581	D	92.7	Very high	92.8	Very high	74 Å²	74	39.2 Å²	39.2	40%	0.396	21%	0.214	S	C	.	.	S	Bend	trans	-126.5	166.1	177.2	-55.5	-50.3	0	0	0	108.8	R517 L583	R517-D581 IonicContact CZ-OD1 2.96Å; R517-D581 IonicContact NH1-OD1 3.27Å; R517-D581 PolarHBondContact NH1-OD1 3.42Å; R517-D581 CarbonylContact O-C 3.54Å; D581-L583 VanDerWaalsContact C-N 3.32Å
582	N	94.5	Very high	92.8	Very high	113 Å²	113	38.9 Å²	38.9	60%	0.604	21%	0.213	S	C	*	.	S	Bend	trans	60.4	38.2	-172.6	-51.7	-56.2	0	0	0	113.6	R517 S519	R517-N582 PolarHBondContact O-N 2.78Å; S519-N582 WeakPolarHBondContact OG-CA 3.29Å; S519-N582 WeakPolarHBondContact OG-CB 3.49Å; S519-N582 PolarHBondContact OG-O 3.22Å
583	L	96.6	Very high	92.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	165.1	176.1	-55.2	171.4	0	0	0	111	L505 M507 R517 C518 S519 S520 C556 L558 D581	L505-L583 HydrophobicContact CD2-CD2 3.9Å; M507-L583 HydrophobicContact CE-CD1 3.36Å; M507-L583 HydrophobicContact SD-CD1 3.91Å; R517-L583 HydrophobicContact CB-CD1 4.39Å; R517-L583 PolarHBondContact O-N 3.22Å; C518-L583 CarbonylContact C-O 3.53Å; C518-L583 VanDerWaalsContact CA-O 3.24Å; C518-L583 WeakPolarHBondContact CA-O 3.24Å; C518-L583 WeakPolarHBondContact CB-O 3.35Å; S519-L583 PolarHBondContact N-O 3.21Å; S520-L583 PolarHBondContact N-O 3.47Å; C556-L583 HydrophobicContact CB-CB 4.37Å; C556-L583 VanDerWaalsContact SG-CD1 3.59Å; L558-L583 HydrophobicContact CB-CD2 3.61Å; L558-L583 HydrophobicContact CD2-CD2 3.85Å; L558-L583 HydrophobicContact CG-CD2 4.31Å; D581-L583 VanDerWaalsContact C-N 3.32Å
584	C	97.1	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.2	171.8	-176.7	0	0	0	0	110.1	S520 C556 H557	S520-C584 CarbonylContact O-C 3.54Å; S520-C584 WeakPolarHBondContact O-CA 3.43Å; S520-C584 WeakPolarHBondContact OG-CA 3.39Å; S520-C584 WeakPolarHBondContact OG-CB 3.37Å; C556-C584 CarbonylContact C-O 3.59Å; C556-C584 VanDerWaalsContact CA-O 3.27Å; C556-C584 WeakPolarHBondContact CA-O 3.42Å; C556-C584 WeakPolarHBondContact CB-O 3.44Å; H557-C584 PolarHBondContact N-O 3.43Å; H557-C584 WeakPolarHBondContact O-CA 3.35Å; H557-C584 WeakPolarHBondContact O-CB 3.37Å; H557-C584 PolarHBondContact O-N 3.17Å
585	F	98	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.6	174.2	-169.4	-89.5	0	0	0	110.3	W392 I514 L515 C518 S520 I521 L522 F538 G587 L588	W392-F585 HydrophobicContact CE3-CE1 4.05Å; W392-F585 HydrophobicContact CZ3-CD1 4.31Å; W392-F585 AromaticContact CZ3-CE1 3.66Å; W392-F585 HydrophobicContact CZ3-CE1 3.66Å; I514-F585 HydrophobicContact CG2-CD2 3.91Å; I514-F585 HydrophobicContact CG2-CE2 3.89Å; L515-F585 HydrophobicContact CD1-CD2 4.5Å; C518-F585 HydrophobicContact CB-CB 3.86Å; S520-F585 PolarHBondContact O-N 3.03Å; I521-F585 CarbonylContact C-O 3.59Å; I521-F585 VanDerWaalsContact CA-O 3.26Å; I521-F585 WeakPolarHBondContact CA-O 3.44Å; I521-F585 HydrophobicContact CB-CB 4.3Å; I521-F585 HydrophobicContact CD1-CD1 3.9Å; I521-F585 HydrophobicContact CG1-CB 4.32Å; I521-F585 HydrophobicContact CG1-CD1 4.07Å; L522-F585 PolarHBondContact N-O 2.79Å; F538-F585 HydrophobicContact CD2-CE1 4.18Å; F538-F585 HydrophobicContact CD2-CE2 4.45Å; F538-F585 AromaticContact CD2-CZ 3.9Å; F538-F585 HydrophobicContact CD2-CZ 3.9Å; F538-F585 HydrophobicContact CE2-CE1 4.25Å; F538-F585 AromaticContact CE2-CE2 3.83Å; F538-F585 HydrophobicContact CE2-CE2 3.83Å; F538-F585 AromaticContact CE2-CZ 3.51Å; F538-F585 HydrophobicContact CE2-CZ 3.51Å; F585-G587 VanDerWaalsContact CE1-CA 3.42Å; F585-G587 VanDerWaalsContact CE1-N 3.33Å; F585-G587 VanDerWaalsContact CZ-C 3.5Å; F585-G587 VanDerWaalsContact CZ-O 3.31Å; F585-G587 WeakPolarHBondContact CZ-O 3.15Å; F585-L588 HydrophobicContact CZ-CD2 3.96Å; F585-L588 HydrophobicContact CZ-CG 4.16Å
586	V	97.8	Very high	94	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-40.9	-177.4	-177.9	0	0	0	0	112.3	T417 A420 L421 I424 L522 F555 H557	T417-V586 HydrophobicContact CG2-CG1 4.16Å; A420-V586 HydrophobicContact CB-CG1 3.86Å; L421-V586 HydrophobicContact CB-CG1 3.79Å; L421-V586 HydrophobicContact CD1-CG1 4.24Å; I424-V586 HydrophobicContact CD1-CB 3.77Å; I424-V586 HydrophobicContact CD1-CG1 4.17Å; I424-V586 HydrophobicContact CD1-CG2 3.52Å; L522-V586 HydrophobicContact CB-CG2 4.43Å; L522-V586 HydrophobicContact CD2-CG1 4.28Å; L522-V586 HydrophobicContact CD2-CG2 4.45Å; F555-V586 PolarHBondContact O-N 3.33Å; H557-V586 WeakPolarHBondContact CD2-CG2 3.43Å
587	G	96.9	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	173.8	-179.7	0	0	0	0	0	115.1	W392 F555 F585	W392-G587 CarbonylContact O-C 3.11Å; W392-G587 WeakPolarHBondContact O-CA 3.3Å; F555-G587 PolarHBondContact N-O 3.46Å; F555-G587 PolarHBondContact O-N 3.49Å; F585-G587 VanDerWaalsContact CE1-CA 3.42Å; F585-G587 VanDerWaalsContact CE1-N 3.33Å; F585-G587 VanDerWaalsContact CZ-C 3.5Å; F585-G587 VanDerWaalsContact CZ-O 3.31Å; F585-G587 WeakPolarHBondContact CZ-O 3.15Å
588	L	97.8	Very high	94.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.6	167.2	-59	170	0	0	0	110.1	M391 W392 P511 F538 V552 L553 F585	M391-L588 CarbonylContact C-O 3.59Å; M391-L588 VanDerWaalsContact CA-O 3.3Å; M391-L588 WeakPolarHBondContact CA-O 2.86Å; W392-L588 HydrophobicContact CB-CB 3.94Å; W392-L588 HydrophobicContact CB-CD1 4.26Å; W392-L588 HydrophobicContact CB-CG 4.36Å; W392-L588 HydrophobicContact CE3-CD1 4.29Å; W392-L588 HydrophobicContact CE3-CG 4.18Å; W392-L588 PolarHBondContact N-O 2.99Å; W392-L588 PolarHBondContact O-N 2.93Å; P511-L588 HydrophobicContact CB-CD2 3.93Å; P511-L588 HydrophobicContact CG-CD2 4.25Å; F538-L588 HydrophobicContact CD2-CD1 4.1Å; F538-L588 HydrophobicContact CD2-CD2 4.39Å; F538-L588 HydrophobicContact CD2-CG 4.3Å; F538-L588 HydrophobicContact CE2-CD1 3.91Å; F538-L588 HydrophobicContact CE2-CD2 3.49Å; F538-L588 VanDerWaalsContact CE2-CD2 3.49Å; F538-L588 HydrophobicContact CE2-CG 3.87Å; F538-L588 HydrophobicContact CZ-CD2 4Å; V552-L588 HydrophobicContact CG1-CB 3.97Å; V552-L588 HydrophobicContact CG1-CD1 4.13Å; V552-L588 HydrophobicContact CG1-CD2 3.97Å; V552-L588 HydrophobicContact CG1-CG 4.26Å; L553-L588 VanDerWaalsContact O-CA 3.32Å; L553-L588 WeakPolarHBondContact O-CA 3.44Å; F585-L588 HydrophobicContact CZ-CD2 3.96Å; F585-L588 HydrophobicContact CZ-CG 4.16Å
589	I	97.6	Very high	94.4	Very high	2 Å²	2	20 Å²	20	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.3	164.8	-52.4	-178.4	0	0	0	107.4	V388 M391 L421 A425 L456 L553 F555	V388-I589 HydrophobicContact CB-CG2 4.29Å; V388-I589 HydrophobicContact CG1-CG2 3.48Å; V388-I589 VanDerWaalsContact CG1-CG2 3.48Å; V388-I589 HydrophobicContact CG2-CG2 3.88Å; M391-I589 HydrophobicContact CG-CB 4.46Å; M391-I589 HydrophobicContact CG-CG1 4.14Å; M391-I589 HydrophobicContact CG-CG2 4.07Å; L421-I589 HydrophobicContact CD1-CD1 4.16Å; L421-I589 HydrophobicContact CD1-CG1 4.22Å; L421-I589 HydrophobicContact CD2-CD1 4.37Å; L421-I589 HydrophobicContact CD2-CG1 4.14Å; L421-I589 HydrophobicContact CG-CD1 4.09Å; L421-I589 HydrophobicContact CG-CG1 4.31Å; A425-I589 HydrophobicContact CB-CD1 4.03Å; L456-I589 HydrophobicContact CD2-CB 4.32Å; L456-I589 HydrophobicContact CD2-CD1 3.86Å; L456-I589 HydrophobicContact CD2-CG2 3.91Å; L553-I589 PolarHBondContact N-O 3.32Å; L553-I589 PolarHBondContact O-N 2.88Å; F555-I589 HydrophobicContact CD2-CB 4.25Å; F555-I589 HydrophobicContact CD2-CD1 4.08Å; F555-I589 HydrophobicContact CD2-CG1 3.8Å; F555-I589 HydrophobicContact CE1-CD1 4.4Å; F555-I589 HydrophobicContact CE2-CB 3.58Å; F555-I589 HydrophobicContact CE2-CD1 3.74Å; F555-I589 HydrophobicContact CE2-CG1 3.55Å; F555-I589 HydrophobicContact CZ-CB 4.26Å; F555-I589 HydrophobicContact CZ-CD1 3.9Å; F555-I589 HydrophobicContact CZ-CG1 4.22Å
590	S	95.9	Very high	94.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	154.4	172.4	68.9	0	0	0	0	111.3	V388 A389 H390 E550 R551	V388-S590 WeakPolarHBondContact CA-O 3.24Å; A389-S590 PolarHBondContact N-O 3.28Å; H390-S590 WeakPolarHBondContact CA-OG 3.2Å; H390-S590 VanDerWaalsContact CB-OG 3.31Å; H390-S590 WeakPolarHBondContact CB-OG 3.32Å; H390-S590 PolarHBondContact N-OG 2.99Å; H390-S590 VanDerWaalsContact N-OG 3.08Å; H390-S590 PolarHBondContact O-N 3Å; H390-S590 PolarHBondContact O-OG 3.37Å; E550-S590 WeakPolarHBondContact OE2-CB 3.32Å; E550-S590 PolarHBondContact OE2-OG 2.63Å; R551-S590 CarbonylContact O-C 3.58Å; R551-S590 VanDerWaalsContact O-CA 3.24Å; R551-S590 WeakPolarHBondContact O-CA 3.46Å
591	M	94.4	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.8	-178.9	57.4	-169.2	72.2	0	0	110.6	M386 T387 S452 A455 L456 R551 L553	M386-M591 HydrophobicContact CG-CB 4.05Å; M386-M591 HydrophobicContact CG-CG 3.86Å; M386-M591 HydrophobicContact CG-SD 3.83Å; M386-M591 HydrophobicContact SD-CB 3.89Å; M386-M591 HydrophobicContact SD-CG 3.71Å; M386-M591 HydrophobicContact SD-SD 4.41Å; T387-M591 VanDerWaalsContact O-CA 3.23Å; T387-M591 WeakPolarHBondContact O-CA 3.49Å; T387-M591 WeakPolarHBondContact O-CB 3.4Å; S452-M591 WeakPolarHBondContact CA-SD 3.43Å; S452-M591 WeakPolarHBondContact CB-SD 3.32Å; S452-M591 PolarHBondContact OG-SD 3.36Å; A455-M591 HydrophobicContact CB-SD 4.22Å; L456-M591 HydrophobicContact CD1-CE 4.35Å; L456-M591 HydrophobicContact CD2-CE 3.96Å; L456-M591 HydrophobicContact CG-CE 3.93Å; R551-M591 HydrophobicContact CB-CG 4.18Å; R551-M591 PolarHBondContact N-O 2.95Å; R551-M591 PolarHBondContact O-N 2.75Å; L553-M591 HydrophobicContact CD1-CE 3.77Å; L553-M591 HydrophobicContact CG-CE 4.46Å
592	I	92.3	Very high	94.7	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.082	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.7	178.8	-161.6	166.7	0	0	0	109.2	M386 T387 A389 E550 P594 I627	M386-I592 VanDerWaalsContact SD-CA 3.59Å; T387-I592 PolarHBondContact N-O 3.05Å; T387-I592 PolarHBondContact O-N 2.87Å; T387-I592 VanDerWaalsContact O-O 3.1Å; A389-I592 HydrophobicContact CB-CG2 3.9Å; E550-I592 HydrophobicContact CG-CB 4.16Å; E550-I592 HydrophobicContact CG-CD1 4.11Å; I592-P594 HydrophobicContact CG2-CB 4.41Å; I592-P594 VanDerWaalsContact O-CD 3.23Å; I592-P594 WeakPolarHBondContact O-CD 3.02Å; I592-I627 HydrophobicContact CD1-CD1 3.77Å; I592-I627 HydrophobicContact CD1-CG1 4.39Å; I592-I627 HydrophobicContact CG1-CD1 4.34Å
593	D	90.9	Very high	94.8	Very high	16 Å²	16	14.1 Å²	14.1	9%	0.086	9%	0.088	C	C	.	.			trans	-83.7	100.7	162	178.9	22.1	0	0	0	109	K377 T382 Q383 N384 R385	K377-D593 IonicContact NZ-OD2 2.93Å; K377-D593 PolarHBondContact NZ-OD2 3.41Å; K377-D593 VanDerWaalsContact NZ-OD2 3.14Å; T382-D593 WeakPolarHBondContact CB-OD2 3.34Å; T382-D593 WeakPolarHBondContact CG2-O 3.39Å; T382-D593 PolarHBondContact OG1-OD2 3.32Å; Q383-D593 PolarHBondContact N-OD1 3.34Å; N384-D593 VanDerWaalsContact CA-OD1 3.31Å; N384-D593 WeakPolarHBondContact CA-OD1 3.48Å; N384-D593 PolarHBondContact N-OD1 3.1Å; R385-D593 PolarHBondContact N-OD1 3.29Å
594	P	92.7	Very high	94.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-80.5	157.8	-167.4	34.5	-35.9	0	0	0	112.1	T382 Q383 R385 T402 I592	T382-P594 CarbonylContact C-O 3.59Å; T382-P594 VanDerWaalsContact CA-O 3.24Å; T382-P594 WeakPolarHBondContact CA-O 3.2Å; T382-P594 WeakPolarHBondContact CB-O 3.31Å; Q383-P594 PolarHBondContact N-O 2.83Å; R385-P594 VanDerWaalsContact O-CD 3.23Å; R385-P594 WeakPolarHBondContact O-CD 3.33Å; T402-P594 HydrophobicContact CG2-CB 4.17Å; T402-P594 WeakPolarHBondContact O-CG 3.37Å; I592-P594 HydrophobicContact CG2-CB 4.41Å; I592-P594 VanDerWaalsContact O-CD 3.23Å; I592-P594 WeakPolarHBondContact O-CD 3.02Å
595	P	93.7	Very high	94.8	Very high	27 Å²	27	20 Å²	20	18%	0.175	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-54.9	152.9	169.2	-24.9	35.5	0	0	0	113	L381 Q383 I627 V631	L381-P595 WeakPolarHBondContact O-CA 3.41Å; Q383-P595 PolarHBondContact NE2-O 3.38Å; P595-I627 HydrophobicContact CG-CD1 4.42Å; P595-V631 HydrophobicContact CB-CG1 3.74Å; P595-V631 HydrophobicContact CG-CG1 3.66Å
596	R	92.1	Very high	94.7	Very high	17 Å²	17	20 Å²	20	6%	0.064	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-70.1	149.2	166.9	-59.5	173.1	176.6	-90.6	10.5	109.6	G379 T380 L381 T382 Q383 A598 V599 P600 D753	G379-R596 PolarHBondContact O-NE 2.64Å; G379-R596 PolarHBondContact O-NH2 2.79Å; T380-R596 WeakPolarHBondContact O-CD 3.36Å; T380-R596 PolarHBondContact O-NE 2.87Å; L381-R596 PolarHBondContact O-N 2.83Å; T382-R596 PolarHBondContact O-NE 3.1Å; Q383-R596 HydrophobicContact CG-CB 4.48Å; Q383-R596 HydrophobicContact CG-CG 3.86Å; R596-A598 VanDerWaalsContact C-N 3.27Å; R596-A598 PolarHBondContact O-N 3.37Å; R596-A598 VanDerWaalsContact O-N 3.14Å; R596-V599 HydrophobicContact CB-CB 4.46Å; R596-V599 HydrophobicContact CB-CG2 3.74Å; R596-V599 HydrophobicContact CG-CG2 4.44Å; R596-V599 WeakPolarHBondContact O-CB 3.27Å; R596-V599 PolarHBondContact O-N 3.2Å; R596-P600 WeakPolarHBondContact O-CD 3.28Å; R596-D753 IonicContact CZ-OD2 2.73Å; R596-D753 IonicContact NH1-OD2 3.49Å; R596-D753 IonicContact NH2-OD2 3.66Å; R596-D753 PolarHBondContact NH2-OD2 3.49Å; R596-D753 VanDerWaalsContact NH2-OD2 3.08Å
597	A	89	Confident	94.6	Very high	39 Å²	39	23.6 Å²	23.6	32%	0.322	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.9	-170.7	0	0	0	0	0	113.8	T403	T403-A597 HydrophobicContact CG2-CB 4.2Å
598	A	91.8	Very high	94.6	Very high	32 Å²	32	27.6 Å²	27.6	26%	0.264	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.3	-178.2	0	0	0	0	0	114.4	R596 A602 A756	R596-A598 VanDerWaalsContact C-N 3.27Å; R596-A598 PolarHBondContact O-N 3.37Å; R596-A598 VanDerWaalsContact O-N 3.14Å; A598-A602 WeakPolarHBondContact O-CB 3.36Å; A598-A602 PolarHBondContact O-N 2.91Å; A598-A756 HydrophobicContact CB-CB 4.08Å
599	V	95.1	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-47.5	-171.6	163.7	0	0	0	0	113	L381 R596 D601 A602 V603 V631 F755	L381-V599 HydrophobicContact CB-CG1 4.18Å; L381-V599 HydrophobicContact CD2-CG1 3.57Å; L381-V599 HydrophobicContact CG-CG1 4.48Å; L381-V599 WeakPolarHBondContact O-CG2 3.21Å; R596-V599 HydrophobicContact CB-CB 4.46Å; R596-V599 HydrophobicContact CB-CG2 3.74Å; R596-V599 HydrophobicContact CG-CG2 4.44Å; R596-V599 WeakPolarHBondContact O-CB 3.27Å; R596-V599 PolarHBondContact O-N 3.2Å; V599-D601 PolarHBondContact O-N 3.01Å; V599-A602 PolarHBondContact O-N 3.02Å; V599-V603 HydrophobicContact CG1-CG2 4.21Å; V599-V603 WeakPolarHBondContact O-CG2 3.46Å; V599-V603 PolarHBondContact O-N 3.4Å; V599-V631 HydrophobicContact CG1-CB 3.9Å; V599-V631 HydrophobicContact CG1-CG1 3.66Å; V599-F755 HydrophobicContact CG2-CB 3.44Å; V599-F755 VanDerWaalsContact CG2-CB 3.44Å; V599-F755 HydrophobicContact CG2-CD1 4.19Å; V599-F755 HydrophobicContact CG2-CD2 4.38Å; V599-F755 HydrophobicContact CG2-CG 3.77Å
600	P	94	Very high	94.5	Very high	53 Å²	53	28.5 Å²	28.5	34%	0.344	17%	0.174	S	C	.	.	H	α-helix	trans	-57.7	-47	-179.9	-26.3	35.2	0	0	0	113.4	R596 G604	R596-P600 WeakPolarHBondContact O-CD 3.28Å; P600-G604 PolarHBondContact O-N 3.14Å
601	D	94.9	Very high	94.6	Very high	90 Å²	90	28.7 Å²	28.7	48%	0.481	18%	0.175	S	C	.	.	H	α-helix	trans	-65.4	-40.7	176.7	176.7	60.1	0	0	0	111.8	V599 G604 K605	V599-D601 PolarHBondContact O-N 3.01Å; D601-G604 PolarHBondContact O-N 3.42Å; D601-K605 WeakPolarHBondContact O-CG 3.36Å; D601-K605 PolarHBondContact O-N 2.87Å; D601-K605 WeakPolarHBondContact OD1-CE 3.35Å; D601-K605 IonicContact OD1-NZ 2.85Å; D601-K605 WeakPolarHBondContact OD2-CE 3.19Å; D601-K605 IonicContact OD2-NZ 3.58Å; D601-K605 PolarHBondContact OD2-NZ 3.47Å
602	A	96.1	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-43.2	179.7	0	0	0	0	0	112.6	A598 V599 K605 C606 F755 A756 V759	A598-A602 WeakPolarHBondContact O-CB 3.36Å; A598-A602 PolarHBondContact O-N 2.91Å; V599-A602 PolarHBondContact O-N 3.02Å; A602-K605 PolarHBondContact O-N 2.73Å; A602-C606 PolarHBondContact O-N 3.44Å; A602-C606 PolarHBondContact O-SG 3.25Å; A602-C606 VanDerWaalsContact O-SG 3.37Å; A602-F755 HydrophobicContact CB-CD1 3.76Å; A602-F755 HydrophobicContact CB-CE1 4.42Å; A602-A756 HydrophobicContact CB-CB 4.49Å; A602-V759 HydrophobicContact CB-CG2 3.81Å
603	V	96.7	Very high	95	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-45	173.6	172.1	0	0	0	0	110.3	L381 V599 K605 C606 R607 V613 V631 I633 F755	L381-V603 HydrophobicContact CD2-CG2 4.35Å; V599-V603 HydrophobicContact CG1-CG2 4.21Å; V599-V603 WeakPolarHBondContact O-CG2 3.46Å; V599-V603 PolarHBondContact O-N 3.4Å; V603-K605 VanDerWaalsContact C-N 3.31Å; V603-K605 PolarHBondContact O-N 3.04Å; V603-C606 PolarHBondContact O-N 2.96Å; V603-R607 WeakPolarHBondContact O-CG 3.49Å; V603-R607 PolarHBondContact O-N 2.95Å; V603-V613 HydrophobicContact CG1-CG2 4.42Å; V603-V631 VanDerWaalsContact CB-O 3.29Å; V603-V631 WeakPolarHBondContact CB-O 3.29Å; V603-V631 WeakPolarHBondContact CG1-O 3.41Å; V603-I633 HydrophobicContact CG1-CG1 4.06Å; V603-F755 HydrophobicContact CG2-CE1 4.21Å
604	G	96.3	Very high	95.4	Very high	31 Å²	31	30 Å²	30	32%	0.32	18%	0.18	S	C	.	.	H	α-helix	trans	-57.3	-41.3	175.1	0	0	0	0	0	113.1	P600 D601 R607 S608	P600-G604 PolarHBondContact O-N 3.14Å; D601-G604 PolarHBondContact O-N 3.42Å; G604-R607 PolarHBondContact O-N 3.37Å; G604-S608 WeakPolarHBondContact O-CB 3.41Å; G604-S608 PolarHBondContact O-N 2.69Å; G604-S608 PolarHBondContact O-OG 3.48Å
605	K	96.5	Very high	95.6	Very high	94 Å²	94	30 Å²	30	41%	0.409	18%	0.179	S	C	.	.	H	α-helix	trans	-68.3	-41.4	176.1	-75.5	176.1	-179.8	160.7	0	112.9	D601 A602 V603 R607 S608 A609 V759	D601-K605 WeakPolarHBondContact O-CG 3.36Å; D601-K605 PolarHBondContact O-N 2.87Å; D601-K605 WeakPolarHBondContact OD1-CE 3.35Å; D601-K605 IonicContact OD1-NZ 2.85Å; D601-K605 WeakPolarHBondContact OD2-CE 3.19Å; D601-K605 IonicContact OD2-NZ 3.58Å; D601-K605 PolarHBondContact OD2-NZ 3.47Å; A602-K605 PolarHBondContact O-N 2.73Å; V603-K605 VanDerWaalsContact C-N 3.31Å; V603-K605 PolarHBondContact O-N 3.04Å; K605-R607 VanDerWaalsContact C-N 3.33Å; K605-R607 PolarHBondContact O-N 3.29Å; K605-S608 WeakPolarHBondContact O-CB 3.45Å; K605-S608 PolarHBondContact O-N 2.95Å; K605-A609 WeakPolarHBondContact O-CB 3.42Å; K605-A609 PolarHBondContact O-N 3.3Å; K605-V759 HydrophobicContact CB-CG1 3.89Å; K605-V759 HydrophobicContact CB-CG2 3.99Å; K605-V759 HydrophobicContact CD-CG1 3.97Å
606	C	96.9	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-44.8	173.3	-71.9	0	0	0	0	111.3	I373 A602 V603 A609 G610 I611 V613	I373-C606 HydrophobicContact CD1-CB 4.25Å; A602-C606 PolarHBondContact O-N 3.44Å; A602-C606 PolarHBondContact O-SG 3.25Å; A602-C606 VanDerWaalsContact O-SG 3.37Å; V603-C606 PolarHBondContact O-N 2.96Å; C606-A609 CarbonylContact O-C 3.5Å; C606-A609 WeakPolarHBondContact O-CB 3.39Å; C606-A609 PolarHBondContact O-N 3.18Å; C606-G610 PolarHBondContact O-N 3.01Å; C606-I611 HydrophobicContact CB-CB 4.35Å; C606-I611 VanDerWaalsContact O-CB 3.3Å; C606-I611 WeakPolarHBondContact O-CB 3.48Å; C606-I611 PolarHBondContact O-N 3.42Å; C606-V613 HydrophobicContact CB-CG2 4.26Å
607	R	96.3	Very high	95.8	Very high	77 Å²	77	28.1 Å²	28.1	29%	0.291	17%	0.17	S	C	.	.	H	α-helix	trans	-65.5	-39.5	176	-67	-172.4	74.3	-179.9	1.9	112.5	V603 G604 K605 A609 G610 V613 G632 I633 S635 E687	V603-R607 WeakPolarHBondContact O-CG 3.49Å; V603-R607 PolarHBondContact O-N 2.95Å; G604-R607 PolarHBondContact O-N 3.37Å; K605-R607 VanDerWaalsContact C-N 3.33Å; K605-R607 PolarHBondContact O-N 3.29Å; R607-A609 PolarHBondContact O-N 2.88Å; R607-G610 WeakPolarHBondContact O-CA 3.36Å; R607-G610 PolarHBondContact O-N 2.85Å; R607-V613 HydrophobicContact CG-CG2 4.1Å; R607-G632 WeakPolarHBondContact CD-O 3.42Å; R607-G632 PolarHBondContact NH1-O 3.3Å; R607-I633 PolarHBondContact NH1-O 3.23Å; R607-S635 PolarHBondContact NH1-OG 3.06Å; R607-E687 IonicContact CZ-OE1 2.67Å; R607-E687 IonicContact NH1-OE1 2.79Å; R607-E687 PolarHBondContact NH1-OE1 3.23Å; R607-E687 VanDerWaalsContact NH1-OE1 3.15Å; R607-E687 IonicContact NH2-OE1 2.78Å; R607-E687 PolarHBondContact NH2-OE1 3.01Å
608	S	95.5	Very high	95.7	Very high	83 Å²	83	26.5 Å²	26.5	58%	0.58	16%	0.156	S	C	*	.	H	α-helix	trans	-59.6	-32.6	173.6	-61.1	0	0	0	0	112.2	G604 K605 G610	G604-S608 WeakPolarHBondContact O-CB 3.41Å; G604-S608 PolarHBondContact O-N 2.69Å; G604-S608 PolarHBondContact O-OG 3.48Å; K605-S608 WeakPolarHBondContact O-CB 3.45Å; K605-S608 PolarHBondContact O-N 2.95Å; S608-G610 PolarHBondContact O-N 3.15Å
609	A	96.3	Very high	95.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	6.6	174.2	0	0	0	0	0	114.1	K605 C606 R607 I611 R766 M832 R834 P836	K605-A609 WeakPolarHBondContact O-CB 3.42Å; K605-A609 PolarHBondContact O-N 3.3Å; C606-A609 CarbonylContact O-C 3.5Å; C606-A609 WeakPolarHBondContact O-CB 3.39Å; C606-A609 PolarHBondContact O-N 3.18Å; R607-A609 PolarHBondContact O-N 2.88Å; A609-I611 HydrophobicContact CB-CG1 4.49Å; A609-R766 PolarHBondContact O-NH2 3.46Å; A609-M832 WeakPolarHBondContact CA-O 3.48Å; A609-M832 HydrophobicContact CB-CE 3.99Å; A609-M832 WeakPolarHBondContact CB-O 3.35Å; A609-M832 PolarHBondContact N-O 3.24Å; A609-R834 CarbonylContact C-O 3.35Å; A609-P836 WeakPolarHBondContact O-CD 3.3Å
610	G	96.6	Very high	94.9	Very high	21 Å²	21	30.3 Å²	30.3	22%	0.216	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	14.2	179	0	0	0	0	0	115	C606 R607 S608 Q835	C606-G610 PolarHBondContact O-N 3.01Å; R607-G610 WeakPolarHBondContact O-CA 3.36Å; R607-G610 PolarHBondContact O-N 2.85Å; S608-G610 PolarHBondContact O-N 3.15Å; G610-Q835 VanDerWaalsContact CA-OE1 3.31Å
611	I	98.1	Very high	94.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.161	C	C	.	.			trans	-85.9	128	179.6	-55.8	178	0	0	0	109.5	T370 I373 C606 A609 V762 P836	T370-I611 HydrophobicContact CG2-CG2 4.4Å; I373-I611 HydrophobicContact CB-CG2 4.42Å; I373-I611 HydrophobicContact CD1-CG2 3.78Å; I373-I611 HydrophobicContact CG1-CG2 3.75Å; C606-I611 HydrophobicContact CB-CB 4.35Å; C606-I611 VanDerWaalsContact O-CB 3.3Å; C606-I611 WeakPolarHBondContact O-CB 3.48Å; C606-I611 PolarHBondContact O-N 3.42Å; A609-I611 HydrophobicContact CB-CG1 4.49Å; I611-V762 HydrophobicContact CD1-CG1 3.9Å; I611-V762 HydrophobicContact CD1-CG2 3.82Å; I611-P836 HydrophobicContact CG1-CG 4.05Å
612	K	98.1	Very high	94.3	Very high	52 Å²	52	29.1 Å²	29.1	23%	0.226	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.4	172.2	-173.5	175.1	-176.4	167.9	0	109.5	S371 T372 I373 I614 L682 H685 T686	S371-K612 PolarHBondContact O-N 3.21Å; T372-K612 CarbonylContact C-O 3.57Å; T372-K612 VanDerWaalsContact CA-O 3.23Å; T372-K612 WeakPolarHBondContact CA-O 3.32Å; T372-K612 HydrophobicContact CG2-CB 4.41Å; I373-K612 PolarHBondContact N-O 2.97Å; K612-I614 HydrophobicContact CD-CD1 4.43Å; K612-I614 HydrophobicContact CG-CG1 4.31Å; K612-L682 PolarHBondContact NZ-O 2.88Å; K612-H685 PolarHBondContact NZ-O 2.93Å; K612-T686 VanDerWaalsContact CE-O 3.3Å; K612-T686 WeakPolarHBondContact CE-O 3.34Å
613	V	98	Very high	93.9	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.2	178.7	-171.5	0	0	0	0	108.9	I373 V603 C606 R607 I633	I373-V613 WeakPolarHBondContact O-CA 3.42Å; V603-V613 HydrophobicContact CG1-CG2 4.42Å; C606-V613 HydrophobicContact CB-CG2 4.26Å; R607-V613 HydrophobicContact CG-CG2 4.1Å; V613-I633 HydrophobicContact CB-CG1 4.32Å; V613-I633 HydrophobicContact CG1-CD1 3.97Å; V613-I633 HydrophobicContact CG1-CG1 3.79Å
614	I	98.4	Very high	93.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.1	-179	-60.3	178.8	0	0	0	107.7	T372 I373 C374 S375 K612 V616 L682 I688 F690	T372-I614 HydrophobicContact CG2-CD1 3.88Å; T372-I614 HydrophobicContact CG2-CG1 4.29Å; I373-I614 PolarHBondContact O-N 3.37Å; C374-I614 WeakPolarHBondContact CA-O 3.31Å; S375-I614 PolarHBondContact N-O 2.81Å; K612-I614 HydrophobicContact CD-CD1 4.43Å; K612-I614 HydrophobicContact CG-CG1 4.31Å; I614-V616 HydrophobicContact CG2-CG2 3.94Å; I614-L682 HydrophobicContact CD1-CD2 4Å; I614-I688 HydrophobicContact CD1-CD1 4.37Å; I614-I688 HydrophobicContact CG1-CB 4.35Å; I614-I688 HydrophobicContact CG2-CB 4.18Å; I614-I688 HydrophobicContact CG2-CG2 4.29Å; I614-F690 HydrophobicContact CG2-CD2 3.76Å; I614-F690 HydrophobicContact CG2-CE2 3.93Å
615	M	98.1	Very high	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.6	170.9	-174.9	-179.8	-70.8	0	0	109.4	S375 K377 L381 T617 A624 I627 A628 I633 I688 V689 F690	S375-M615 WeakPolarHBondContact O-CA 3.16Å; K377-M615 HydrophobicContact CB-CE 4.45Å; K377-M615 HydrophobicContact CB-CG 4.41Å; K377-M615 HydrophobicContact CB-SD 4.05Å; K377-M615 HydrophobicContact CG-CE 4.28Å; K377-M615 HydrophobicContact CG-SD 4.21Å; L381-M615 HydrophobicContact CD1-CE 3.83Å; M615-T617 HydrophobicContact CG-CG2 4.19Å; M615-T617 HydrophobicContact SD-CG2 4.07Å; M615-A624 HydrophobicContact SD-CB 4.09Å; M615-I627 HydrophobicContact CE-CB 4.39Å; M615-I627 HydrophobicContact CE-CG2 4Å; M615-A628 HydrophobicContact CE-CB 3.77Å; M615-A628 HydrophobicContact SD-CB 4.38Å; M615-I633 HydrophobicContact CB-CD1 4.02Å; M615-I633 HydrophobicContact CE-CD1 3.94Å; M615-I688 PolarHBondContact N-O 2.84Å; M615-I688 VanDerWaalsContact N-O 3.15Å; M615-V689 HydrophobicContact CB-CB 4.46Å; M615-V689 HydrophobicContact CB-CG1 4.19Å; M615-V689 HydrophobicContact CB-CG2 4.21Å; M615-V689 HydrophobicContact CG-CG1 4.38Å; M615-V689 HydrophobicContact SD-CG1 4.04Å; M615-F690 PolarHBondContact O-N 3.06Å
616	V	96.9	Very high	93.3	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	96	176.8	-172.7	0	0	0	0	109	C374 S375 I614 F690 K698 I701	C374-V616 HydrophobicContact CB-CG2 4.15Å; S375-V616 PolarHBondContact O-N 3.3Å; I614-V616 HydrophobicContact CG2-CG2 3.94Å; V616-F690 HydrophobicContact CG2-CD2 4.32Å; V616-K698 HydrophobicContact CG1-CB 3.99Å; V616-K698 HydrophobicContact CG1-CD 3.89Å; V616-K698 HydrophobicContact CG1-CG 3.64Å; V616-K698 WeakPolarHBondContact O-CE 3.43Å; V616-K698 PolarHBondContact O-NZ 3.27Å; V616-I701 HydrophobicContact CG1-CD1 3.68Å; V616-I701 HydrophobicContact CG2-CD1 4.39Å; V616-I701 HydrophobicContact CG2-CG2 4.03Å
617	T	93.1	Very high	93.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.			trans	-127.6	151.7	-172.2	-176.1	0	0	0	0	112.3	K377 M615 D619 A624 F690 A691 R692 T693	K377-T617 HydrophobicContact CB-CG2 4.33Å; M615-T617 HydrophobicContact CG-CG2 4.19Å; M615-T617 HydrophobicContact SD-CG2 4.07Å; T617-D619 VanDerWaalsContact C-N 3.27Å; T617-D619 HydrophobicContact CG2-CB 4.05Å; T617-D619 VanDerWaalsContact OG1-CB 3.28Å; T617-D619 WeakPolarHBondContact OG1-CB 3.42Å; T617-D619 PolarHBondContact OG1-N 2.87Å; T617-A624 HydrophobicContact CG2-CB 3.67Å; T617-F690 PolarHBondContact N-O 3.4Å; T617-A691 CarbonylContact O-C 3.49Å; T617-A691 WeakPolarHBondContact O-CA 3.5Å; T617-R692 PolarHBondContact O-N 3.37Å; T617-R692 VanDerWaalsContact O-N 3.12Å; T617-T693 VanDerWaalsContact C-OG1 3.27Å; T617-T693 PolarHBondContact O-N 2.93Å; T617-T693 PolarHBondContact O-OG1 3.33Å
618	G	86.9	Confident	93.1	Very high	4 Å²	4	24 Å²	24	4%	0.041	14%	0.138	C	C	.	.	S	Bend	trans	-84.1	-1.8	167.3	0	0	0	0	0	113.5	T219 R692	T219-G618 VanDerWaalsContact O-CA 3.28Å; T219-G618 WeakPolarHBondContact O-CA 3.3Å; G618-R692 WeakPolarHBondContact O-CD 3.43Å
619	D	84.9	Confident	93	Very high	20 Å²	20	25.1 Å²	25.1	11%	0.107	13%	0.133	C	C	.	.	S	Bend	trans	-72.7	162.6	-179	-159.5	0.2	0	0	0	112.8	E221 K377 T617 T623 R692	E221-D619 HydrophobicContact CG-CB 4.43Å; E221-D619 VanDerWaalsContact OE1-CA 3.31Å; E221-D619 WeakPolarHBondContact OE1-CA 3.37Å; K377-D619 HydrophobicContact CD-CB 4.27Å; K377-D619 VanDerWaalsContact CD-OD2 3.32Å; K377-D619 WeakPolarHBondContact CD-OD2 3.31Å; K377-D619 WeakPolarHBondContact CE-OD2 3.01Å; K377-D619 IonicContact NZ-OD2 2.93Å; T617-D619 VanDerWaalsContact C-N 3.27Å; T617-D619 HydrophobicContact CG2-CB 4.05Å; T617-D619 VanDerWaalsContact OG1-CB 3.28Å; T617-D619 WeakPolarHBondContact OG1-CB 3.42Å; T617-D619 PolarHBondContact OG1-N 2.87Å; D619-T623 WeakPolarHBondContact OD2-CG2 3.34Å; D619-R692 PolarHBondContact O-N 2.9Å
620	H	84.4	Confident	92.8	Very high	93 Å²	93	27.6 Å²	27.6	43%	0.431	16%	0.158	S	C	.	.			trans	-62.9	142.8	179.1	-165.6	-94.2	0	0	0	112	I622 T623 A624	H620-I622 VanDerWaalsContact C-N 3.29Å; H620-I622 PolarHBondContact O-N 2.79Å; H620-I622 VanDerWaalsContact O-N 3.17Å; H620-T623 PolarHBondContact O-N 3.27Å; H620-A624 WeakPolarHBondContact O-CB 3.4Å; H620-A624 PolarHBondContact O-N 2.85Å
621	P	89	Confident	92.7	Very high	27 Å²	27	26.7 Å²	26.7	18%	0.175	15%	0.148	C	C	.	.	H	α-helix	trans	-55.8	-36.9	-174.9	-29	34.4	0	0	0	115.6	K625 V664 A691	P621-K625 WeakPolarHBondContact O-CB 3.35Å; P621-K625 PolarHBondContact O-N 3.35Å; P621-V664 HydrophobicContact CB-CG1 4.11Å; P621-A691 HydrophobicContact CB-CB 4.13Å; P621-A691 HydrophobicContact CG-CB 3.97Å
622	I	88.2	Confident	92.6	Very high	91 Å²	91	27.8 Å²	27.8	47%	0.467	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-51.9	-177.9	-58.7	175.2	0	0	0	109.9	H620 K625 A626	H620-I622 VanDerWaalsContact C-N 3.29Å; H620-I622 PolarHBondContact O-N 2.79Å; H620-I622 VanDerWaalsContact O-N 3.17Å; I622-K625 PolarHBondContact O-N 3.32Å; I622-A626 WeakPolarHBondContact O-CB 3.39Å; I622-A626 PolarHBondContact O-N 3.25Å
623	T	87.7	Confident	92.5	Very high	30 Å²	30	25.4 Å²	25.4	18%	0.184	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-42.9	178.4	-53.1	0	0	0	0	111.2	G549 D619 H620 K625 A626 I627	G549-T623 PolarHBondContact O-OG1 2.88Å; D619-T623 WeakPolarHBondContact OD2-CG2 3.34Å; H620-T623 PolarHBondContact O-N 3.27Å; T623-K625 PolarHBondContact O-N 3.46Å; T623-A626 PolarHBondContact O-N 3.11Å; T623-I627 HydrophobicContact CG2-CG1 4.41Å; T623-I627 WeakPolarHBondContact O-CG1 3.45Å; T623-I627 PolarHBondContact O-N 3.29Å
624	A	91.4	Very high	92.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-45.4	176.1	0	0	0	0	0	112	M615 T617 H620 A628 V689 A691	M615-A624 HydrophobicContact SD-CB 4.09Å; T617-A624 HydrophobicContact CG2-CB 3.67Å; H620-A624 WeakPolarHBondContact O-CB 3.4Å; H620-A624 PolarHBondContact O-N 2.85Å; A624-A628 WeakPolarHBondContact O-CB 3.48Å; A624-A628 PolarHBondContact O-N 2.94Å; A624-V689 HydrophobicContact CB-CG1 3.87Å; A624-A691 HydrophobicContact CB-CB 3.99Å
625	K	93.3	Very high	92.2	Very high	39 Å²	39	27.1 Å²	27.1	17%	0.17	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-42.5	177.6	-175.4	178.9	-178.2	173.4	0	111.9	P621 I622 T623 A628 K629 I634 T640 D643 V664	P621-K625 WeakPolarHBondContact O-CB 3.35Å; P621-K625 PolarHBondContact O-N 3.35Å; I622-K625 PolarHBondContact O-N 3.32Å; T623-K625 PolarHBondContact O-N 3.46Å; K625-A628 PolarHBondContact O-N 3.45Å; K625-K629 PolarHBondContact O-N 3.36Å; K625-I634 HydrophobicContact CG-CD1 4.23Å; K625-T640 PolarHBondContact NZ-OG1 3.02Å; K625-T640 VanDerWaalsContact NZ-OG1 3.16Å; K625-D643 WeakPolarHBondContact CE-OD2 3.4Å; K625-D643 IonicContact NZ-OD1 3.39Å; K625-D643 PolarHBondContact NZ-OD1 3.14Å; K625-D643 IonicContact NZ-OD2 2.81Å; K625-D643 PolarHBondContact NZ-OD2 2.92Å; K625-V664 HydrophobicContact CB-CG2 4.25Å; K625-V664 HydrophobicContact CD-CG2 4.11Å; K625-V664 HydrophobicContact CG-CG2 4.14Å
626	A	90.9	Very high	91.8	Very high	21 Å²	21	36.7 Å²	36.7	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-47.6	178.4	0	0	0	0	0	112	L548 I622 T623 A628 K629 G630	L548-A626 WeakPolarHBondContact O-CB 3.31Å; I622-A626 WeakPolarHBondContact O-CB 3.39Å; I622-A626 PolarHBondContact O-N 3.25Å; T623-A626 PolarHBondContact O-N 3.11Å; A626-A628 VanDerWaalsContact C-N 3.33Å; A626-A628 PolarHBondContact O-N 2.92Å; A626-K629 PolarHBondContact O-N 3.44Å; A626-G630 PolarHBondContact O-N 3.24Å
627	I	93.1	Very high	91.3	Very high	6 Å²	6	40 Å²	40	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-40.4	175.3	-63.7	-63	0	0	0	111	K377 T382 I592 P595 M615 T623 K629 G630 V631	K377-I627 HydrophobicContact CD-CB 4.47Å; K377-I627 HydrophobicContact CD-CG1 4.27Å; K377-I627 HydrophobicContact CD-CG2 4.48Å; K377-I627 HydrophobicContact CG-CB 4.35Å; K377-I627 HydrophobicContact CG-CG2 3.9Å; T382-I627 HydrophobicContact CG2-CD1 4.15Å; T382-I627 HydrophobicContact CG2-CG1 4.36Å; T382-I627 HydrophobicContact CG2-CG2 3.8Å; I592-I627 HydrophobicContact CD1-CD1 3.77Å; I592-I627 HydrophobicContact CD1-CG1 4.39Å; I592-I627 HydrophobicContact CG1-CD1 4.34Å; P595-I627 HydrophobicContact CG-CD1 4.42Å; M615-I627 HydrophobicContact CE-CB 4.39Å; M615-I627 HydrophobicContact CE-CG2 4Å; T623-I627 HydrophobicContact CG2-CG1 4.41Å; T623-I627 WeakPolarHBondContact O-CG1 3.45Å; T623-I627 PolarHBondContact O-N 3.29Å; I627-K629 VanDerWaalsContact C-N 3.27Å; I627-K629 PolarHBondContact O-N 3.47Å; I627-G630 PolarHBondContact O-N 2.91Å; I627-G630 VanDerWaalsContact O-N 3.1Å; I627-V631 HydrophobicContact CG2-CG1 4.22Å; I627-V631 WeakPolarHBondContact O-CG2 3.22Å; I627-V631 PolarHBondContact O-N 2.9Å
628	A	95.6	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-36.5	177.3	0	0	0	0	0	112.7	M615 A624 K625 A626 G632 I633 I634 V689	M615-A628 HydrophobicContact CE-CB 3.77Å; M615-A628 HydrophobicContact SD-CB 4.38Å; A624-A628 WeakPolarHBondContact O-CB 3.48Å; A624-A628 PolarHBondContact O-N 2.94Å; K625-A628 PolarHBondContact O-N 3.45Å; A626-A628 VanDerWaalsContact C-N 3.33Å; A626-A628 PolarHBondContact O-N 2.92Å; A628-G632 PolarHBondContact O-N 2.95Å; A628-I633 HydrophobicContact CB-CB 4.15Å; A628-I633 HydrophobicContact CB-CG2 4.32Å; A628-I633 PolarHBondContact O-N 3.17Å; A628-I634 HydrophobicContact CB-CD1 4.02Å; A628-I634 HydrophobicContact CB-CG1 4.06Å; A628-I634 PolarHBondContact O-N 3.33Å; A628-V689 HydrophobicContact CB-CG2 3.53Å
629	K	94	Very high	91.5	Very high	106 Å²	106	44.5 Å²	44.5	46%	0.461	26%	0.264	S	S	.	.	H	α-helix	trans	-67.3	-49.2	170.2	-72.2	-178.7	175.8	-174.2	0	111.2	K625 A626 I627 V631 G632 I634	K625-K629 PolarHBondContact O-N 3.36Å; A626-K629 PolarHBondContact O-N 3.44Å; I627-K629 VanDerWaalsContact C-N 3.27Å; I627-K629 PolarHBondContact O-N 3.47Å; K629-V631 VanDerWaalsContact C-N 3.26Å; K629-V631 PolarHBondContact O-N 3.1Å; K629-G632 PolarHBondContact O-N 3.38Å; K629-G632 VanDerWaalsContact O-N 3.09Å; K629-I634 HydrophobicContact CG-CB 3.97Å; K629-I634 HydrophobicContact CG-CG2 3.96Å
630	G	91.3	Very high	91.9	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	26%	0.259	S	S	.	.	H	α-helix	trans	-60.7	-28.6	-178	0	0	0	0	0	114.9	A626 I627	A626-G630 PolarHBondContact O-N 3.24Å; I627-G630 PolarHBondContact O-N 2.91Å; I627-G630 VanDerWaalsContact O-N 3.1Å
631	V	95.4	Very high	92.2	Very high	2 Å²	2	40 Å²	40	1%	0.012	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.7	177.1	-53.6	0	0	0	0	114.1	P595 V599 V603 I627 K629 I633	P595-V631 HydrophobicContact CB-CG1 3.74Å; P595-V631 HydrophobicContact CG-CG1 3.66Å; V599-V631 HydrophobicContact CG1-CB 3.9Å; V599-V631 HydrophobicContact CG1-CG1 3.66Å; V603-V631 VanDerWaalsContact CB-O 3.29Å; V603-V631 WeakPolarHBondContact CB-O 3.29Å; V603-V631 WeakPolarHBondContact CG1-O 3.41Å; I627-V631 HydrophobicContact CG2-CG1 4.22Å; I627-V631 WeakPolarHBondContact O-CG2 3.22Å; I627-V631 PolarHBondContact O-N 2.9Å; K629-V631 VanDerWaalsContact C-N 3.26Å; K629-V631 PolarHBondContact O-N 3.1Å; V631-I633 HydrophobicContact CG2-CB 4.39Å; V631-I633 HydrophobicContact CG2-CD1 3.8Å; V631-I633 HydrophobicContact CG2-CG1 3.85Å
632	G	95.4	Very high	92.3	Very high	27 Å²	27	43 Å²	43	28%	0.278	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	20.5	178.5	0	0	0	0	0	115.8	R607 A628 K629	R607-G632 WeakPolarHBondContact CD-O 3.42Å; R607-G632 PolarHBondContact NH1-O 3.3Å; A628-G632 PolarHBondContact O-N 2.95Å; K629-G632 PolarHBondContact O-N 3.38Å; K629-G632 VanDerWaalsContact O-N 3.09Å
633	I	96.9	Very high	92.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-72.2	-45	167.1	-71.7	169.5	0	0	0	109.7	L381 V603 R607 V613 M615 A628 V631 E687 V689	L381-I633 HydrophobicContact CD1-CD1 3.92Å; V603-I633 HydrophobicContact CG1-CG1 4.06Å; R607-I633 PolarHBondContact NH1-O 3.23Å; V613-I633 HydrophobicContact CB-CG1 4.32Å; V613-I633 HydrophobicContact CG1-CD1 3.97Å; V613-I633 HydrophobicContact CG1-CG1 3.79Å; M615-I633 HydrophobicContact CB-CD1 4.02Å; M615-I633 HydrophobicContact CE-CD1 3.94Å; A628-I633 HydrophobicContact CB-CB 4.15Å; A628-I633 HydrophobicContact CB-CG2 4.32Å; A628-I633 PolarHBondContact O-N 3.17Å; V631-I633 HydrophobicContact CG2-CB 4.39Å; V631-I633 HydrophobicContact CG2-CD1 3.8Å; V631-I633 HydrophobicContact CG2-CG1 3.85Å; I633-E687 WeakPolarHBondContact O-CB 3.38Å; I633-E687 VanDerWaalsContact O-CG 3.32Å; I633-E687 WeakPolarHBondContact O-CG 3.47Å; I633-V689 HydrophobicContact CG2-CG2 4.41Å
634	I	96.6	Very high	92.6	Very high	3 Å²	3	40 Å²	40	2%	0.015	24%	0.239	C	C	.	.	S	Bend	trans	-99.1	121.2	167.6	-63	175.9	0	0	0	107.4	K625 A628 K629 A662 E687 V689	K625-I634 HydrophobicContact CG-CD1 4.23Å; A628-I634 HydrophobicContact CB-CD1 4.02Å; A628-I634 HydrophobicContact CB-CG1 4.06Å; A628-I634 PolarHBondContact O-N 3.33Å; K629-I634 HydrophobicContact CG-CB 3.97Å; K629-I634 HydrophobicContact CG-CG2 3.96Å; I634-A662 HydrophobicContact CG2-CB 4.29Å; I634-E687 WeakPolarHBondContact CA-OE2 3.22Å; I634-E687 HydrophobicContact CG1-CB 4.41Å; I634-V689 HydrophobicContact CD1-CG2 3.83Å; I634-V689 HydrophobicContact CG1-CG2 4.19Å
635	S	94.3	Very high	92.7	Very high	42 Å²	42	40.2 Å²	40.2	29%	0.294	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-75.9	149.6	178.9	-67.3	0	0	0	0	111.6	R607 G637 N638 E687	R607-S635 PolarHBondContact NH1-OG 3.06Å; S635-G637 PolarHBondContact O-N 2.93Å; S635-N638 PolarHBondContact O-N 3.37Å; S635-E687 WeakPolarHBondContact CB-OE1 3.32Å; S635-E687 PolarHBondContact N-OE1 3.27Å; S635-E687 PolarHBondContact N-OE2 3.19Å; S635-E687 PolarHBondContact OG-OE1 2.71Å
636	E	88.8	Confident	92.5	Very high	200 Å²	200	42 Å²	42	94%	0.935	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	134	170.4	-70.7	-175.4	175.1	0	0	111.1	N638	E636-N638 VanDerWaalsContact C-N 3.34Å; E636-N638 PolarHBondContact O-N 2.85Å
637	G	86.4	Confident	92.6	Very high	76 Å²	76	47.9 Å²	47.9	78%	0.784	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-12.5	-178.6	0	0	0	0	0	115.6	S635	S635-G637 PolarHBondContact O-N 2.93Å
638	N	92.6	Very high	92.6	Very high	39 Å²	39	51.9 Å²	51.9	21%	0.209	30%	0.301	C	S	.	.			trans	-80.1	135.8	169.8	-76.2	-23.1	0	0	0	110.7	S635 E636 A662 E687	S635-N638 PolarHBondContact O-N 3.37Å; E636-N638 VanDerWaalsContact C-N 3.34Å; E636-N638 PolarHBondContact O-N 2.85Å; N638-A662 HydrophobicContact CB-CB 4.49Å; N638-E687 WeakPolarHBondContact CB-OE2 3.3Å; N638-E687 PolarHBondContact ND2-OE1 3.48Å; N638-E687 PolarHBondContact ND2-OE2 2.94Å
639	E	91.8	Very high	92.5	Very high	59 Å²	59	59.1 Å²	59.1	28%	0.276	34%	0.34	S	S	.	.			trans	-111	148.4	-176.7	-62	-174.9	124.1	0	0	111	D643 I644 R647	E639-D643 HydrophobicContact CB-CB 3.97Å; E639-D643 HydrophobicContact CG-CB 4.39Å; E639-I644 HydrophobicContact CB-CD1 4.34Å; E639-I644 HydrophobicContact CB-CG1 3.73Å; E639-R647 WeakPolarHBondContact OE1-CD 3.43Å; E639-R647 IonicContact OE1-CZ 3.72Å; E639-R647 IonicContact OE1-NE 2.81Å; E639-R647 PolarHBondContact OE1-NE 3.5Å; E639-R647 IonicContact OE1-NH2 2.89Å; E639-R647 IonicContact OE2-CZ 2.67Å; E639-R647 IonicContact OE2-NE 3.67Å; E639-R647 PolarHBondContact OE2-NE 3.38Å; E639-R647 IonicContact OE2-NH2 3.44Å; E639-R647 PolarHBondContact OE2-NH2 3.22Å
640	T	93.8	Very high	92.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	33%	0.332	C	S	.	.			trans	-85.7	167.4	165.6	61	0	0	0	0	111	K625 E642 D643 I644 A662 V664	K625-T640 PolarHBondContact NZ-OG1 3.02Å; K625-T640 VanDerWaalsContact NZ-OG1 3.16Å; T640-E642 VanDerWaalsContact CB-OE2 3.3Å; T640-E642 WeakPolarHBondContact CB-OE2 3.4Å; T640-E642 PolarHBondContact O-N 2.89Å; T640-E642 PolarHBondContact OG1-OE2 2.81Å; T640-D643 WeakPolarHBondContact CB-OD2 3.47Å; T640-D643 PolarHBondContact N-OD2 3.15Å; T640-D643 PolarHBondContact O-N 2.99Å; T640-D643 VanDerWaalsContact O-N 3.11Å; T640-D643 PolarHBondContact OG1-N 3.49Å; T640-D643 PolarHBondContact OG1-OD2 3.41Å; T640-I644 WeakPolarHBondContact O-CG1 3.27Å; T640-I644 PolarHBondContact O-N 3.24Å; T640-A662 WeakPolarHBondContact CA-O 3.43Å; T640-A662 HydrophobicContact CG2-CB 4.16Å; T640-V664 HydrophobicContact CG2-CG2 4.13Å
641	V	90.6	Very high	92.7	Very high	19 Å²	19	57.8 Å²	57.8	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-36.4	177.3	-172.7	0	0	0	0	110.3	A645 V652 V655 P657 A660	V641-A645 WeakPolarHBondContact O-CB 3.44Å; V641-A645 PolarHBondContact O-N 2.74Å; V641-V652 HydrophobicContact CG1-CG1 3.74Å; V641-V655 HydrophobicContact CG1-CB 3.73Å; V641-V655 HydrophobicContact CG1-CG1 3.74Å; V641-P657 HydrophobicContact CG2-CB 4.42Å; V641-A660 HydrophobicContact CG2-CB 3.75Å
642	E	90.7	Very high	92.4	Very high	90 Å²	90	61.1 Å²	61.1	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-39.8	175.9	-58.9	75.7	-165.9	0	0	112.1	T640 A645 A646	T640-E642 VanDerWaalsContact CB-OE2 3.3Å; T640-E642 WeakPolarHBondContact CB-OE2 3.4Å; T640-E642 PolarHBondContact O-N 2.89Å; T640-E642 PolarHBondContact OG1-OE2 2.81Å; E642-A645 PolarHBondContact O-N 2.96Å; E642-A646 WeakPolarHBondContact O-CB 3.43Å; E642-A646 PolarHBondContact O-N 3.12Å
643	D	91.3	Very high	92.3	Very high	43 Å²	43	65.2 Å²	65.2	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-65.8	-43.7	177.3	-64.5	-40.4	0	0	0	111.3	K625 E639 T640 A645 A646 R647	K625-D643 WeakPolarHBondContact CE-OD2 3.4Å; K625-D643 IonicContact NZ-OD1 3.39Å; K625-D643 PolarHBondContact NZ-OD1 3.14Å; K625-D643 IonicContact NZ-OD2 2.81Å; K625-D643 PolarHBondContact NZ-OD2 2.92Å; E639-D643 HydrophobicContact CB-CB 3.97Å; E639-D643 HydrophobicContact CG-CB 4.39Å; T640-D643 WeakPolarHBondContact CB-OD2 3.47Å; T640-D643 PolarHBondContact N-OD2 3.15Å; T640-D643 PolarHBondContact O-N 2.99Å; T640-D643 VanDerWaalsContact O-N 3.11Å; T640-D643 PolarHBondContact OG1-N 3.49Å; T640-D643 PolarHBondContact OG1-OD2 3.41Å; D643-A645 VanDerWaalsContact C-N 3.32Å; D643-A645 PolarHBondContact O-N 3.44Å; D643-A646 PolarHBondContact O-N 3.13Å; D643-R647 VanDerWaalsContact O-CB 3.31Å; D643-R647 WeakPolarHBondContact O-CB 3.35Å; D643-R647 PolarHBondContact O-N 3.03Å
644	I	91.4	Very high	92	Very high	13 Å²	13	71.4 Å²	71.4	7%	0.067	40%	0.403	C	S	.	.	H	α-helix	trans	-62.4	-43.7	177.5	-63.1	169.7	0	0	0	110	E639 T640 R647 L648 V655 D659 A660	E639-I644 HydrophobicContact CB-CD1 4.34Å; E639-I644 HydrophobicContact CB-CG1 3.73Å; T640-I644 WeakPolarHBondContact O-CG1 3.27Å; T640-I644 PolarHBondContact O-N 3.24Å; I644-R647 PolarHBondContact O-N 3.46Å; I644-L648 HydrophobicContact CG2-CD1 3.7Å; I644-L648 HydrophobicContact CG2-CG 4.41Å; I644-L648 WeakPolarHBondContact O-CB 3.31Å; I644-L648 WeakPolarHBondContact O-CG 3.38Å; I644-L648 PolarHBondContact O-N 2.99Å; I644-V655 HydrophobicContact CB-CG1 3.94Å; I644-V655 HydrophobicContact CB-CG2 4.37Å; I644-V655 HydrophobicContact CD1-CG1 4.1Å; I644-V655 HydrophobicContact CG2-CG1 3.72Å; I644-V655 HydrophobicContact CG2-CG2 4.01Å; I644-D659 HydrophobicContact CD1-CB 4.29Å; I644-A660 HydrophobicContact CD1-CB 3.92Å
645	A	92.6	Very high	91.8	Very high	5 Å²	5	71.9 Å²	71.9	4%	0.041	41%	0.406	C	S	.	.	H	α-helix	trans	-61	-47.6	177.3	0	0	0	0	0	111.8	V641 E642 D643 L648 N649 I650 V652 V655	V641-A645 WeakPolarHBondContact O-CB 3.44Å; V641-A645 PolarHBondContact O-N 2.74Å; E642-A645 PolarHBondContact O-N 2.96Å; D643-A645 VanDerWaalsContact C-N 3.32Å; D643-A645 PolarHBondContact O-N 3.44Å; A645-L648 PolarHBondContact O-N 3.34Å; A645-N649 WeakPolarHBondContact O-CA 3.42Å; A645-N649 PolarHBondContact O-N 2.9Å; A645-I650 WeakPolarHBondContact CB-O 3.45Å; A645-I650 PolarHBondContact O-N 3.3Å; A645-V652 HydrophobicContact CB-CB 4.4Å; A645-V652 HydrophobicContact CB-CG2 3.82Å; A645-V655 HydrophobicContact CB-CG2 3.87Å
646	A	90.3	Very high	91.7	Very high	76 Å²	76	73.7 Å²	73.7	63%	0.628	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-44	178.4	0	0	0	0	0	112.1	E642 D643 N649	E642-A646 WeakPolarHBondContact O-CB 3.43Å; E642-A646 PolarHBondContact O-N 3.12Å; D643-A646 PolarHBondContact O-N 3.13Å; A646-N649 PolarHBondContact O-N 3.48Å
647	R	92.9	Very high	91.8	Very high	146 Å²	146	67 Å²	67	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-65.3	-40.4	178.8	-179	174.5	58.8	76.1	-2.6	112.8	E639 D643 I644 N649	E639-R647 WeakPolarHBondContact OE1-CD 3.43Å; E639-R647 IonicContact OE1-CZ 3.72Å; E639-R647 IonicContact OE1-NE 2.81Å; E639-R647 PolarHBondContact OE1-NE 3.5Å; E639-R647 IonicContact OE1-NH2 2.89Å; E639-R647 IonicContact OE2-CZ 2.67Å; E639-R647 IonicContact OE2-NE 3.67Å; E639-R647 PolarHBondContact OE2-NE 3.38Å; E639-R647 IonicContact OE2-NH2 3.44Å; E639-R647 PolarHBondContact OE2-NH2 3.22Å; D643-R647 VanDerWaalsContact O-CB 3.31Å; D643-R647 WeakPolarHBondContact O-CB 3.35Å; D643-R647 PolarHBondContact O-N 3.03Å; I644-R647 PolarHBondContact O-N 3.46Å; R647-N649 VanDerWaalsContact C-N 3.31Å
648	L	92.9	Very high	92.1	Very high	89 Å²	89	69.4 Å²	69.4	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-84.5	-7.1	178.3	-66.5	175.8	0	0	0	113	I644 A645 I650	I644-L648 HydrophobicContact CG2-CD1 3.7Å; I644-L648 HydrophobicContact CG2-CG 4.41Å; I644-L648 WeakPolarHBondContact O-CB 3.31Å; I644-L648 WeakPolarHBondContact O-CG 3.38Å; I644-L648 PolarHBondContact O-N 2.99Å; A645-L648 PolarHBondContact O-N 3.34Å; L648-I650 VanDerWaalsContact C-N 3.29Å; L648-I650 HydrophobicContact CB-CD1 4.09Å; L648-I650 HydrophobicContact CB-CG1 3.95Å; L648-I650 HydrophobicContact CB-CG2 4.36Å; L648-I650 HydrophobicContact CD1-CD1 3.98Å; L648-I650 PolarHBondContact O-N 3.06Å
649	N	93.8	Very high	92.1	Very high	152 Å²	152	72.9 Å²	72.9	81%	0.813	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	43.7	-174.3	-162.3	37.1	0	0	0	112.9	A645 A646 R647	A645-N649 WeakPolarHBondContact O-CA 3.42Å; A645-N649 PolarHBondContact O-N 2.9Å; A646-N649 PolarHBondContact O-N 3.48Å; R647-N649 VanDerWaalsContact C-N 3.31Å
650	I	94.4	Very high	92.2	Very high	57 Å²	57	70.1 Å²	70.1	29%	0.292	38%	0.377	S	S	.	.			trans	-120.5	157.6	177.6	64	179.3	0	0	0	110.9	A645 L648 Q654 V655	A645-I650 WeakPolarHBondContact CB-O 3.45Å; A645-I650 PolarHBondContact O-N 3.3Å; L648-I650 VanDerWaalsContact C-N 3.29Å; L648-I650 HydrophobicContact CB-CD1 4.09Å; L648-I650 HydrophobicContact CB-CG1 3.95Å; L648-I650 HydrophobicContact CB-CG2 4.36Å; L648-I650 HydrophobicContact CD1-CD1 3.98Å; L648-I650 PolarHBondContact O-N 3.06Å; I650-Q654 HydrophobicContact CD1-CB 4.23Å; I650-V655 HydrophobicContact CD1-CG2 3.95Å; I650-V655 HydrophobicContact CG1-CG2 4.19Å
651	P	93.4	Very high	92.2	Very high	72 Å²	72	76 Å²	76	47%	0.468	40%	0.403	S	S	.	.			trans	-60.8	142	172.8	-22.3	33.2	0	0	0	112.4	S653 Q654	P651-S653 PolarHBondContact O-N 3.21Å; P651-S653 VanDerWaalsContact O-N 3.08Å; P651-Q654 HydrophobicContact CB-CG 4.5Å; P651-Q654 WeakPolarHBondContact O-CB 3.41Å; P651-Q654 PolarHBondContact O-N 3.48Å
652	V	90.5	Very high	92.4	Very high	73 Å²	73	75.1 Å²	75.1	44%	0.442	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-52.1	-35	179	-179.2	0	0	0	0	112.3	V641 A645 Q654 V655	V641-V652 HydrophobicContact CG1-CG1 3.74Å; A645-V652 HydrophobicContact CB-CB 4.4Å; A645-V652 HydrophobicContact CB-CG2 3.82Å; V652-Q654 PolarHBondContact O-N 3.06Å; V652-Q654 VanDerWaalsContact O-N 3.15Å; V652-V655 PolarHBondContact O-N 2.85Å; V652-V655 VanDerWaalsContact O-N 3.15Å
653	S	92.3	Very high	92.7	Very high	113 Å²	113	71.4 Å²	71.4	79%	0.79	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15.3	179.3	63.1	0	0	0	0	114.9	P651	P651-S653 PolarHBondContact O-N 3.21Å; P651-S653 VanDerWaalsContact O-N 3.08Å
654	Q	91.5	Very high	92.9	Very high	131 Å²	131	70.7 Å²	70.7	61%	0.612	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-93.1	-12.5	178.5	-62.8	-177.1	6.2	0	0	112.7	I650 P651 V652	I650-Q654 HydrophobicContact CD1-CB 4.23Å; P651-Q654 HydrophobicContact CB-CG 4.5Å; P651-Q654 WeakPolarHBondContact O-CB 3.41Å; P651-Q654 PolarHBondContact O-N 3.48Å; V652-Q654 PolarHBondContact O-N 3.06Å; V652-Q654 VanDerWaalsContact O-N 3.15Å
655	V	92.8	Very high	93.2	Very high	14 Å²	14	70.6 Å²	70.6	9%	0.085	38%	0.378	C	S	.	.	S	Bend	trans	-80	132.6	178	-179.8	0	0	0	0	109	V641 I644 A645 I650 V652 P657	V641-V655 HydrophobicContact CG1-CB 3.73Å; V641-V655 HydrophobicContact CG1-CG1 3.74Å; I644-V655 HydrophobicContact CB-CG1 3.94Å; I644-V655 HydrophobicContact CB-CG2 4.37Å; I644-V655 HydrophobicContact CD1-CG1 4.1Å; I644-V655 HydrophobicContact CG2-CG1 3.72Å; I644-V655 HydrophobicContact CG2-CG2 4.01Å; A645-V655 HydrophobicContact CB-CG2 3.87Å; I650-V655 HydrophobicContact CD1-CG2 3.95Å; I650-V655 HydrophobicContact CG1-CG2 4.19Å; V652-V655 PolarHBondContact O-N 2.85Å; V652-V655 VanDerWaalsContact O-N 3.15Å; V655-P657 VanDerWaalsContact O-CD 3.29Å; V655-P657 WeakPolarHBondContact O-CD 3.34Å
656	N	91.9	Very high	93.2	Very high	80 Å²	80	72.8 Å²	72.8	43%	0.428	39%	0.388	S	S	.	.			trans	-73.5	119.4	171	-178.6	-2	0	0	0	109.2	R658 D659	N656-R658 PolarHBondContact O-N 3.42Å; N656-R658 WeakPolarHBondContact OD1-CB 3.15Å; N656-R658 VanDerWaalsContact OD1-CG 3.31Å; N656-R658 WeakPolarHBondContact OD1-CG 3.46Å; N656-R658 PolarHBondContact OD1-N 3.48Å; N656-R658 VanDerWaalsContact OD1-N 3.12Å; N656-D659 PolarHBondContact O-N 2.93Å
657	P	91.3	Very high	93.1	Very high	59 Å²	59	69.3 Å²	69.3	38%	0.383	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.6	-179.1	-25	35.3	0	0	0	113.9	V641 V655 D659 A660 H685	V641-P657 HydrophobicContact CG2-CB 4.42Å; V655-P657 VanDerWaalsContact O-CD 3.29Å; V655-P657 WeakPolarHBondContact O-CD 3.34Å; P657-D659 VanDerWaalsContact C-N 3.3Å; P657-A660 PolarHBondContact O-N 2.73Å; P657-H685 PolarHBondContact O-CE1 3.28Å; P657-H685 VanDerWaalsContact O-CE1 3.27Å
658	R	91.4	Very high	92.9	Very high	127 Å²	127	65.8 Å²	65.8	48%	0.479	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.4	179.3	-57.2	-63.8	131.4	149.4	-2.6	114	N656 A660 Y684	N656-R658 PolarHBondContact O-N 3.42Å; N656-R658 WeakPolarHBondContact OD1-CB 3.15Å; N656-R658 VanDerWaalsContact OD1-CG 3.31Å; N656-R658 WeakPolarHBondContact OD1-CG 3.46Å; N656-R658 PolarHBondContact OD1-N 3.48Å; N656-R658 VanDerWaalsContact OD1-N 3.12Å; R658-A660 VanDerWaalsContact C-N 3.29Å; R658-Y684 VanDerWaalsContact CZ-CG 3.43Å
659	D	92.3	Very high	92.8	Very high	112 Å²	112	66 Å²	66	60%	0.599	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-23.2	178.6	-59.8	-21	0	0	0	110.7	I644 N656 P657	I644-D659 HydrophobicContact CD1-CB 4.29Å; N656-D659 PolarHBondContact O-N 2.93Å; P657-D659 VanDerWaalsContact C-N 3.3Å
660	A	93.7	Very high	92.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	32%	0.322	C	S	.	.			trans	-89.4	111.8	177	0	0	0	0	0	111.7	V641 I644 P657 R658 A662 H685	V641-A660 HydrophobicContact CG2-CB 3.75Å; I644-A660 HydrophobicContact CD1-CB 3.92Å; P657-A660 PolarHBondContact O-N 2.73Å; R658-A660 VanDerWaalsContact C-N 3.29Å; A660-A662 VanDerWaalsContact C-N 3.34Å; A660-H685 PolarHBondContact O-CE1 2.67Å; A660-H685 PolarHBondContact O-ND1 2.99Å
661	K	94.2	Very high	92.2	Very high	125 Å²	125	62.6 Å²	62.6	54%	0.543	34%	0.335	S	S	.	.	S	Bend	trans	-75.4	-25.5	174.4	-68.6	-172	-179.8	176	0	113.3	T686 E687	K661-T686 PolarHBondContact O-N 2.87Å; K661-T686 PolarHBondContact O-OG1 3.47Å; K661-E687 PolarHBondContact O-N 3.45Å
662	A	95.9	Very high	92	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	147.7	178.6	0	0	0	0	0	110.8	I634 N638 T640 A660 E687	I634-A662 HydrophobicContact CG2-CB 4.29Å; N638-A662 HydrophobicContact CB-CB 4.49Å; T640-A662 WeakPolarHBondContact CA-O 3.43Å; T640-A662 HydrophobicContact CG2-CB 4.16Å; A660-A662 VanDerWaalsContact C-N 3.34Å; A662-E687 CarbonylContact C-O 3.6Å; A662-E687 VanDerWaalsContact CA-O 3.23Å; A662-E687 WeakPolarHBondContact CA-O 3.17Å; A662-E687 HydrophobicContact CB-CB 4.02Å
663	C	96	Very high	92.1	Very high	11 Å²	11	65 Å²	65	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.9	169.5	67.5	0	0	0	0	111.6	H685 E687 V689	C663-H685 HydrophobicContact CB-CB 4.39Å; C663-E687 PolarHBondContact N-O 3.23Å; C663-V689 PolarHBondContact O-N 3.3Å; C663-V689 VanDerWaalsContact O-N 3.07Å
664	V	96.3	Very high	92.2	Very high	28 Å²	28	62.9 Å²	62.9	17%	0.17	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	170.9	-177.9	0	0	0	0	107.2	P621 K625 T640 V689 A691	P621-V664 HydrophobicContact CB-CG1 4.11Å; K625-V664 HydrophobicContact CB-CG2 4.25Å; K625-V664 HydrophobicContact CD-CG2 4.11Å; K625-V664 HydrophobicContact CG-CG2 4.14Å; T640-V664 HydrophobicContact CG2-CG2 4.13Å; V664-V689 CarbonylContact C-O 3.23Å; V664-V689 WeakPolarHBondContact CA-O 3.46Å; V664-V689 HydrophobicContact CG1-CG1 4.46Å; V664-V689 HydrophobicContact CG2-CB 4.27Å; V664-A691 HydrophobicContact CG1-CB 4.46Å
665	V	96.2	Very high	92.2	Very high	12 Å²	12	59.3 Å²	59.3	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.5	-177.2	-178	0	0	0	0	108.9	L670 M673 I681 V689 F690 A691	V665-L670 HydrophobicContact CG1-CB 4.35Å; V665-M673 HydrophobicContact CG1-CE 4.07Å; V665-I681 HydrophobicContact CG2-CD1 4.29Å; V665-I681 HydrophobicContact CG2-CG2 4.17Å; V665-V689 PolarHBondContact N-O 3.4Å; V665-F690 HydrophobicContact CB-CD1 3.62Å; V665-F690 HydrophobicContact CB-CE1 3.78Å; V665-F690 HydrophobicContact CG1-CD1 3.91Å; V665-F690 HydrophobicContact CG1-CE1 3.93Å; V665-F690 HydrophobicContact CG2-CD1 4.28Å; V665-F690 HydrophobicContact CG2-CE1 4Å; V665-F690 WeakPolarHBondContact O-CA 3.28Å; V665-A691 PolarHBondContact O-N 3.28Å
666	H	93.2	Very high	92.3	Very high	51 Å²	51	64.8 Å²	64.8	24%	0.236	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.8	177.2	-166.5	-93.7	0	0	0	111.1	S668 D669 L670 A691 R692	H666-S668 PolarHBondContact CE1-OG 3.44Å; H666-S668 VanDerWaalsContact ND1-CB 3.3Å; H666-S668 WeakPolarHBondContact ND1-CB 3.32Å; H666-S668 PolarHBondContact ND1-N 3.33Å; H666-S668 PolarHBondContact ND1-OG 2.84Å; H666-S668 VanDerWaalsContact ND1-OG 3.07Å; H666-S668 PolarHBondContact O-N 2.89Å; H666-D669 PolarHBondContact O-N 2.85Å; H666-L670 PolarHBondContact O-N 3.47Å; H666-A691 CarbonylContact C-O 3.5Å; H666-R692 WeakPolarHBondContact NE2-CB 3.35Å
667	G	89.3	Confident	92.4	Very high	3 Å²	3	65.6 Å²	65.6	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-58	-32.8	178.1	0	0	0	0	0	114	L670 K671 A691 R692 Q697	G667-L670 PolarHBondContact O-N 3.07Å; G667-K671 PolarHBondContact O-N 2.91Å; G667-K671 VanDerWaalsContact O-N 3.08Å; G667-A691 PolarHBondContact N-O 3.47Å; G667-R692 WeakPolarHBondContact CA-O 3.06Å; G667-Q697 PolarHBondContact O-NE2 3.05Å
668	S	87	Confident	92.6	Very high	71 Å²	71	62.9 Å²	62.9	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-40.4	173.7	-53	0	0	0	0	112.7	H666 K671	H666-S668 PolarHBondContact CE1-OG 3.44Å; H666-S668 VanDerWaalsContact ND1-CB 3.3Å; H666-S668 WeakPolarHBondContact ND1-CB 3.32Å; H666-S668 PolarHBondContact ND1-N 3.33Å; H666-S668 PolarHBondContact ND1-OG 2.84Å; H666-S668 VanDerWaalsContact ND1-OG 3.07Å; H666-S668 PolarHBondContact O-N 2.89Å; S668-K671 WeakPolarHBondContact O-CB 3.3Å
669	D	90.9	Very high	92.8	Very high	93 Å²	93	58 Å²	58	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-72.8	-40.4	178.8	-55.1	-35.8	0	0	0	109.9	H666 K671 D672 M673	H666-D669 PolarHBondContact O-N 2.85Å; D669-K671 PolarHBondContact O-N 3.36Å; D669-D672 PolarHBondContact O-N 3.41Å; D669-D672 VanDerWaalsContact O-N 3.11Å; D669-M673 HydrophobicContact CB-CE 4.03Å; D669-M673 WeakPolarHBondContact O-CG 3.34Å; D669-M673 PolarHBondContact O-N 3.21Å
670	L	91.2	Very high	93	Very high	12 Å²	12	56 Å²	56	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-32.2	177.9	-172.5	67.4	0	0	0	112.6	V665 H666 G667 D672 M673 L678 F690 T693 Q697 I701	V665-L670 HydrophobicContact CG1-CB 4.35Å; H666-L670 PolarHBondContact O-N 3.47Å; G667-L670 PolarHBondContact O-N 3.07Å; L670-D672 VanDerWaalsContact C-N 3.27Å; L670-D672 PolarHBondContact O-N 3.42Å; L670-M673 HydrophobicContact CD1-SD 4.02Å; L670-M673 PolarHBondContact O-N 3.15Å; L670-L678 HydrophobicContact CD1-CD1 3.91Å; L670-F690 HydrophobicContact CD1-CD1 4.44Å; L670-F690 HydrophobicContact CD1-CE1 4.05Å; L670-F690 HydrophobicContact CD2-CD1 4.22Å; L670-T693 HydrophobicContact CD2-CG2 4.33Å; L670-Q697 HydrophobicContact CD2-CB 3.88Å; L670-Q697 HydrophobicContact CD2-CG 4.02Å; L670-I701 HydrophobicContact CD2-CD1 3.87Å; L670-I701 HydrophobicContact CD2-CG1 4.06Å
671	K	86.1	Confident	93.1	Very high	126 Å²	126	57.2 Å²	57.2	55%	0.548	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-35.7	177.4	179.1	175.2	176.2	159.7	0	112.8	E38 G667 S668 D669 M673	E38-K671 WeakPolarHBondContact OE2-CE 3.5Å; E38-K671 IonicContact OE2-NZ 2.72Å; E38-K671 PolarHBondContact OE2-NZ 3.46Å; G667-K671 PolarHBondContact O-N 2.91Å; G667-K671 VanDerWaalsContact O-N 3.08Å; S668-K671 WeakPolarHBondContact O-CB 3.3Å; D669-K671 PolarHBondContact O-N 3.36Å; K671-M673 VanDerWaalsContact C-N 3.34Å
672	D	89.1	Confident	93.2	Very high	135 Å²	135	51.8 Å²	51.8	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	1.1	-178	-63.2	-32.4	0	0	0	112.3	D669 L670	D669-D672 PolarHBondContact O-N 3.41Å; D669-D672 VanDerWaalsContact O-N 3.11Å; L670-D672 VanDerWaalsContact C-N 3.27Å; L670-D672 PolarHBondContact O-N 3.42Å
673	M	92.4	Very high	93.1	Very high	61 Å²	61	57.1 Å²	57.1	30%	0.3	30%	0.299	S	S	.	.			trans	-84.6	142.6	178.7	-70.7	177.5	-171.6	0	0	112.9	V665 D669 L670 K671 Q677 I681	V665-M673 HydrophobicContact CG1-CE 4.07Å; D669-M673 HydrophobicContact CB-CE 4.03Å; D669-M673 WeakPolarHBondContact O-CG 3.34Å; D669-M673 PolarHBondContact O-N 3.21Å; L670-M673 HydrophobicContact CD1-SD 4.02Å; L670-M673 PolarHBondContact O-N 3.15Å; K671-M673 VanDerWaalsContact C-N 3.34Å; M673-Q677 HydrophobicContact CB-CB 4.41Å; M673-I681 HydrophobicContact CE-CD1 3.84Å; M673-I681 HydrophobicContact SD-CD1 3.62Å
674	T	93.8	Very high	93.1	Very high	69 Å²	69	62.2 Å²	62.2	42%	0.423	32%	0.317	S	S	.	.			trans	-78.4	164.4	166.1	59.3	0	0	0	0	111.4	E676 Q677 L678	T674-E676 VanDerWaalsContact C-N 3.27Å; T674-E676 PolarHBondContact O-N 2.98Å; T674-Q677 PolarHBondContact O-N 3.01Å; T674-Q677 VanDerWaalsContact OG1-CD 3.29Å; T674-Q677 VanDerWaalsContact OG1-CG 3.29Å; T674-Q677 WeakPolarHBondContact OG1-CG 3.4Å; T674-Q677 PolarHBondContact OG1-N 3.37Å; T674-Q677 PolarHBondContact OG1-OE1 2.83Å; T674-L678 PolarHBondContact O-N 3.37Å; T674-L678 VanDerWaalsContact O-N 3.17Å
675	S	92	Very high	93	Very high	56 Å²	56	61.6 Å²	61.6	39%	0.392	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-34.5	178.2	-69.1	0	0	0	0	112.3	L678 D679	S675-L678 PolarHBondContact O-N 3.3Å; S675-D679 WeakPolarHBondContact O-CB 3.23Å; S675-D679 PolarHBondContact O-N 3.44Å
676	E	93.9	Very high	92.9	Very high	129 Å²	129	64.8 Å²	64.8	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-68.1	-39.7	178	-63.1	76.5	-168.5	0	0	112	T674 D679 D680	T674-E676 VanDerWaalsContact C-N 3.27Å; T674-E676 PolarHBondContact O-N 2.98Å; E676-D679 WeakPolarHBondContact O-CB 3.42Å; E676-D679 PolarHBondContact O-N 3.13Å; E676-D680 PolarHBondContact O-N 3.22Å
677	Q	94.9	Very high	93.1	Very high	96 Å²	96	62.5 Å²	62.5	45%	0.449	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-40.9	175.8	-73.8	167.1	-45.8	0	0	111.8	M673 T674 D679 D680 I681	M673-Q677 HydrophobicContact CB-CB 4.41Å; T674-Q677 PolarHBondContact O-N 3.01Å; T674-Q677 VanDerWaalsContact OG1-CD 3.29Å; T674-Q677 VanDerWaalsContact OG1-CG 3.29Å; T674-Q677 WeakPolarHBondContact OG1-CG 3.4Å; T674-Q677 PolarHBondContact OG1-N 3.37Å; T674-Q677 PolarHBondContact OG1-OE1 2.83Å; Q677-D679 VanDerWaalsContact C-N 3.34Å; Q677-D680 PolarHBondContact O-N 3.17Å; Q677-I681 WeakPolarHBondContact O-CG1 3.19Å; Q677-I681 PolarHBondContact O-N 2.92Å; Q677-I681 VanDerWaalsContact O-N 3.12Å
678	L	95.7	Very high	93.5	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-43.7	173.4	177.7	58.8	0	0	0	111.2	L670 T674 S675 D680 I681 L682 F690 I700	L670-L678 HydrophobicContact CD1-CD1 3.91Å; T674-L678 PolarHBondContact O-N 3.37Å; T674-L678 VanDerWaalsContact O-N 3.17Å; S675-L678 PolarHBondContact O-N 3.3Å; L678-D680 VanDerWaalsContact C-N 3.27Å; L678-D680 PolarHBondContact O-N 3.1Å; L678-I681 PolarHBondContact O-N 3.14Å; L678-L682 HydrophobicContact CD1-CD1 4.34Å; L678-L682 HydrophobicContact CD1-CG 4.22Å; L678-L682 HydrophobicContact CG-CD1 4.1Å; L678-L682 HydrophobicContact CG-CG 4.42Å; L678-L682 VanDerWaalsContact O-CG 3.29Å; L678-L682 WeakPolarHBondContact O-CG 3.42Å; L678-L682 PolarHBondContact O-N 2.97Å; L678-F690 HydrophobicContact CD1-CE1 3.91Å; L678-F690 HydrophobicContact CD1-CZ 3.68Å; L678-I700 HydrophobicContact CD2-CG2 3.91Å
679	D	95.3	Very high	94	Very high	24 Å²	24	59 Å²	59	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-37.8	177.3	-74.3	1.1	0	0	0	112	S675 E676 Q677 L682 K683 R707 Q708	S675-D679 WeakPolarHBondContact O-CB 3.23Å; S675-D679 PolarHBondContact O-N 3.44Å; E676-D679 WeakPolarHBondContact O-CB 3.42Å; E676-D679 PolarHBondContact O-N 3.13Å; Q677-D679 VanDerWaalsContact C-N 3.34Å; D679-L682 PolarHBondContact O-N 3.09Å; D679-K683 WeakPolarHBondContact O-CB 3.28Å; D679-K683 WeakPolarHBondContact O-CD 3.25Å; D679-K683 VanDerWaalsContact O-CG 3.24Å; D679-K683 WeakPolarHBondContact O-CG 3.5Å; D679-K683 PolarHBondContact O-N 2.96Å; D679-R707 IonicContact OD1-CZ 3.58Å; D679-R707 IonicContact OD1-NE 3.93Å; D679-R707 PolarHBondContact OD1-NE 3.41Å; D679-R707 IonicContact OD1-NH2 2.95Å; D679-R707 PolarHBondContact OD1-NH2 3.38Å; D679-R707 IonicContact OD2-NE 3.27Å; D679-Q708 PolarHBondContact OD1-NE2 3.32Å; D679-Q708 PolarHBondContact OD2-NE2 2.99Å; D679-Q708 VanDerWaalsContact OD2-NE2 3.12Å
680	D	95.2	Very high	94.3	Very high	70 Å²	70	54.6 Å²	54.6	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-46.9	174.1	-80.4	-9.8	0	0	0	111.7	E676 Q677 L678 L682 K683 Y684	E676-D680 PolarHBondContact O-N 3.22Å; Q677-D680 PolarHBondContact O-N 3.17Å; L678-D680 VanDerWaalsContact C-N 3.27Å; L678-D680 PolarHBondContact O-N 3.1Å; D680-L682 VanDerWaalsContact C-N 3.27Å; D680-L682 PolarHBondContact O-N 3.4Å; D680-K683 PolarHBondContact O-N 3.35Å; D680-Y684 HydrophobicContact CB-CD2 3.91Å; D680-Y684 HydrophobicContact CB-CE2 3.91Å; D680-Y684 WeakPolarHBondContact O-CB 3.49Å; D680-Y684 WeakPolarHBondContact O-CD2 3.43Å; D680-Y684 PolarHBondContact O-N 3.38Å
681	I	96	Very high	94.4	Very high	26 Å²	26	54 Å²	54	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-46.5	175.8	-67.6	170.7	0	0	0	110.3	V665 M673 Q677 L678 K683 Y684 H685	V665-I681 HydrophobicContact CG2-CD1 4.29Å; V665-I681 HydrophobicContact CG2-CG2 4.17Å; M673-I681 HydrophobicContact CE-CD1 3.84Å; M673-I681 HydrophobicContact SD-CD1 3.62Å; Q677-I681 WeakPolarHBondContact O-CG1 3.19Å; Q677-I681 PolarHBondContact O-N 2.92Å; Q677-I681 VanDerWaalsContact O-N 3.12Å; L678-I681 PolarHBondContact O-N 3.14Å; I681-K683 VanDerWaalsContact C-N 3.33Å; I681-K683 PolarHBondContact O-N 2.79Å; I681-Y684 PolarHBondContact O-N 2.8Å; I681-H685 PolarHBondContact O-N 2.84Å
682	L	96.2	Very high	94.6	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-32.3	-179	-68	175.7	0	0	0	113.3	K612 I614 L678 D679 D680 I688 F690	K612-L682 PolarHBondContact NZ-O 2.88Å; I614-L682 HydrophobicContact CD1-CD2 4Å; L678-L682 HydrophobicContact CD1-CD1 4.34Å; L678-L682 HydrophobicContact CD1-CG 4.22Å; L678-L682 HydrophobicContact CG-CD1 4.1Å; L678-L682 HydrophobicContact CG-CG 4.42Å; L678-L682 VanDerWaalsContact O-CG 3.29Å; L678-L682 WeakPolarHBondContact O-CG 3.42Å; L678-L682 PolarHBondContact O-N 2.97Å; D679-L682 PolarHBondContact O-N 3.09Å; D680-L682 VanDerWaalsContact C-N 3.27Å; D680-L682 PolarHBondContact O-N 3.4Å; L682-I688 HydrophobicContact CD2-CD1 3.9Å; L682-F690 HydrophobicContact CD2-CE2 4.18Å; L682-F690 HydrophobicContact CD2-CZ 4.21Å
683	K	94.4	Very high	94.7	Very high	111 Å²	111	45.1 Å²	45.1	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-78.3	-39.6	178.6	-75	167.1	-170.5	165	0	112.8	D679 D680 I681 Q708	D679-K683 WeakPolarHBondContact O-CB 3.28Å; D679-K683 WeakPolarHBondContact O-CD 3.25Å; D679-K683 VanDerWaalsContact O-CG 3.24Å; D679-K683 WeakPolarHBondContact O-CG 3.5Å; D679-K683 PolarHBondContact O-N 2.96Å; D680-K683 PolarHBondContact O-N 3.35Å; I681-K683 VanDerWaalsContact C-N 3.33Å; I681-K683 PolarHBondContact O-N 2.79Å; K683-Q708 VanDerWaalsContact CE-CD 3.49Å
684	Y	95.2	Very high	94.5	Very high	118 Å²	118	42.8 Å²	42.8	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-98.4	-22	-163.2	-61.7	-56.5	0	0	0	114.5	R658 D680 I681	R658-Y684 VanDerWaalsContact CZ-CG 3.43Å; D680-Y684 HydrophobicContact CB-CD2 3.91Å; D680-Y684 HydrophobicContact CB-CE2 3.91Å; D680-Y684 WeakPolarHBondContact O-CB 3.49Å; D680-Y684 WeakPolarHBondContact O-CD2 3.43Å; D680-Y684 PolarHBondContact O-N 3.38Å; I681-Y684 PolarHBondContact O-N 2.8Å
685	H	95.3	Very high	94.1	Very high	15 Å²	15	39.9 Å²	39.9	7%	0.069	20%	0.196	C	C	.	.			trans	-104.4	131.2	172.3	-58.1	-73.9	0	0	0	110.1	K612 P657 A660 C663 I681 I688	K612-H685 PolarHBondContact NZ-O 2.93Å; P657-H685 PolarHBondContact O-CE1 3.28Å; P657-H685 VanDerWaalsContact O-CE1 3.27Å; A660-H685 PolarHBondContact O-CE1 2.67Å; A660-H685 PolarHBondContact O-ND1 2.99Å; C663-H685 HydrophobicContact CB-CB 4.39Å; I681-H685 PolarHBondContact O-N 2.84Å; H685-I688 HydrophobicContact CB-CD1 4.38Å; H685-I688 HydrophobicContact CB-CG1 4Å; H685-I688 WeakPolarHBondContact O-CD1 3.38Å
686	T	94.4	Very high	93.8	Very high	79 Å²	79	37.7 Å²	37.7	49%	0.485	18%	0.18	S	C	.	.	S	Bend	trans	-85.3	-30.1	-179.9	50.9	0	0	0	0	112.2	K612 K661	K612-T686 VanDerWaalsContact CE-O 3.3Å; K612-T686 WeakPolarHBondContact CE-O 3.34Å; K661-T686 PolarHBondContact O-N 2.87Å; K661-T686 PolarHBondContact O-OG1 3.47Å
687	E	97.2	Very high	93.7	Very high	4 Å²	4	32 Å²	32	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.6	-175.9	-60.6	-179.8	172.4	0	0	108	R607 I633 I634 S635 N638 K661 A662 C663	R607-E687 IonicContact CZ-OE1 2.67Å; R607-E687 IonicContact NH1-OE1 2.79Å; R607-E687 PolarHBondContact NH1-OE1 3.23Å; R607-E687 VanDerWaalsContact NH1-OE1 3.15Å; R607-E687 IonicContact NH2-OE1 2.78Å; R607-E687 PolarHBondContact NH2-OE1 3.01Å; I633-E687 WeakPolarHBondContact O-CB 3.38Å; I633-E687 VanDerWaalsContact O-CG 3.32Å; I633-E687 WeakPolarHBondContact O-CG 3.47Å; I634-E687 WeakPolarHBondContact CA-OE2 3.22Å; I634-E687 HydrophobicContact CG1-CB 4.41Å; S635-E687 WeakPolarHBondContact CB-OE1 3.32Å; S635-E687 PolarHBondContact N-OE1 3.27Å; S635-E687 PolarHBondContact N-OE2 3.19Å; S635-E687 PolarHBondContact OG-OE1 2.71Å; N638-E687 WeakPolarHBondContact CB-OE2 3.3Å; N638-E687 PolarHBondContact ND2-OE1 3.48Å; N638-E687 PolarHBondContact ND2-OE2 2.94Å; K661-E687 PolarHBondContact O-N 3.45Å; A662-E687 CarbonylContact C-O 3.6Å; A662-E687 VanDerWaalsContact CA-O 3.23Å; A662-E687 WeakPolarHBondContact CA-O 3.17Å; A662-E687 HydrophobicContact CB-CB 4.02Å; C663-E687 PolarHBondContact N-O 3.23Å
688	I	97.8	Very high	93.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.7	-168	-52.2	177.6	0	0	0	109.3	I614 M615 L682 H685 F690	I614-I688 HydrophobicContact CD1-CD1 4.37Å; I614-I688 HydrophobicContact CG1-CB 4.35Å; I614-I688 HydrophobicContact CG2-CB 4.18Å; I614-I688 HydrophobicContact CG2-CG2 4.29Å; M615-I688 PolarHBondContact N-O 2.84Å; M615-I688 VanDerWaalsContact N-O 3.15Å; L682-I688 HydrophobicContact CD2-CD1 3.9Å; H685-I688 HydrophobicContact CB-CD1 4.38Å; H685-I688 HydrophobicContact CB-CG1 4Å; H685-I688 WeakPolarHBondContact O-CD1 3.38Å; I688-F690 HydrophobicContact CG2-CD2 3.79Å; I688-F690 HydrophobicContact CG2-CE2 3.35Å; I688-F690 HydrophobicContact CG2-CZ 3.77Å
689	V	97.9	Very high	93.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.4	172	178.7	0	0	0	0	108.3	M615 A624 A628 I633 I634 C663 V664 V665	M615-V689 HydrophobicContact CB-CB 4.46Å; M615-V689 HydrophobicContact CB-CG1 4.19Å; M615-V689 HydrophobicContact CB-CG2 4.21Å; M615-V689 HydrophobicContact CG-CG1 4.38Å; M615-V689 HydrophobicContact SD-CG1 4.04Å; A624-V689 HydrophobicContact CB-CG1 3.87Å; A628-V689 HydrophobicContact CB-CG2 3.53Å; I633-V689 HydrophobicContact CG2-CG2 4.41Å; I634-V689 HydrophobicContact CD1-CG2 3.83Å; I634-V689 HydrophobicContact CG1-CG2 4.19Å; C663-V689 PolarHBondContact O-N 3.3Å; C663-V689 VanDerWaalsContact O-N 3.07Å; V664-V689 CarbonylContact C-O 3.23Å; V664-V689 WeakPolarHBondContact CA-O 3.46Å; V664-V689 HydrophobicContact CG1-CG1 4.46Å; V664-V689 HydrophobicContact CG2-CB 4.27Å; V665-V689 PolarHBondContact N-O 3.4Å
690	F	97.6	Very high	93.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.6	166.9	-65.8	-83.4	0	0	0	108.6	I614 M615 V616 T617 V665 L670 L678 L682 I688 T693 I701	I614-F690 HydrophobicContact CG2-CD2 3.76Å; I614-F690 HydrophobicContact CG2-CE2 3.93Å; M615-F690 PolarHBondContact O-N 3.06Å; V616-F690 HydrophobicContact CG2-CD2 4.32Å; T617-F690 PolarHBondContact N-O 3.4Å; V665-F690 HydrophobicContact CB-CD1 3.62Å; V665-F690 HydrophobicContact CB-CE1 3.78Å; V665-F690 HydrophobicContact CG1-CD1 3.91Å; V665-F690 HydrophobicContact CG1-CE1 3.93Å; V665-F690 HydrophobicContact CG2-CD1 4.28Å; V665-F690 HydrophobicContact CG2-CE1 4Å; V665-F690 WeakPolarHBondContact O-CA 3.28Å; L670-F690 HydrophobicContact CD1-CD1 4.44Å; L670-F690 HydrophobicContact CD1-CE1 4.05Å; L670-F690 HydrophobicContact CD2-CD1 4.22Å; L678-F690 HydrophobicContact CD1-CE1 3.91Å; L678-F690 HydrophobicContact CD1-CZ 3.68Å; L682-F690 HydrophobicContact CD2-CE2 4.18Å; L682-F690 HydrophobicContact CD2-CZ 4.21Å; I688-F690 HydrophobicContact CG2-CD2 3.79Å; I688-F690 HydrophobicContact CG2-CE2 3.35Å; I688-F690 HydrophobicContact CG2-CZ 3.77Å; F690-T693 HydrophobicContact CB-CG2 3.7Å; F690-I701 HydrophobicContact CB-CD1 3.77Å; F690-I701 HydrophobicContact CD1-CD1 3.86Å; F690-I701 HydrophobicContact CD1-CG1 4.33Å; F690-I701 HydrophobicContact CD2-CD1 3.79Å; F690-I701 HydrophobicContact CD2-CG1 4.23Å; F690-I701 HydrophobicContact CD2-CG2 4Å; F690-I701 HydrophobicContact CE1-CD1 4.4Å; F690-I701 HydrophobicContact CE1-CG1 4.38Å; F690-I701 HydrophobicContact CE2-CD1 4.31Å; F690-I701 HydrophobicContact CE2-CG1 4.26Å; F690-I701 HydrophobicContact CE2-CG2 3.8Å; F690-I701 HydrophobicContact CG-CD1 3.53Å; F690-I701 HydrophobicContact CG-CG1 4.27Å; F690-I701 HydrophobicContact CZ-CG1 4.34Å; F690-I701 HydrophobicContact CZ-CG2 4.48Å
691	A	93.3	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	156.8	-177.5	0	0	0	0	0	110.7	T617 P621 A624 V664 V665 H666 G667 T693	T617-A691 CarbonylContact O-C 3.49Å; T617-A691 WeakPolarHBondContact O-CA 3.5Å; P621-A691 HydrophobicContact CB-CB 4.13Å; P621-A691 HydrophobicContact CG-CB 3.97Å; A624-A691 HydrophobicContact CB-CB 3.99Å; V664-A691 HydrophobicContact CG1-CB 4.46Å; V665-A691 PolarHBondContact O-N 3.28Å; H666-A691 CarbonylContact C-O 3.5Å; G667-A691 PolarHBondContact N-O 3.47Å; A691-T693 PolarHBondContact O-N 2.98Å
692	R	89.5	Confident	93.5	Very high	66 Å²	66	25 Å²	25	25%	0.249	12%	0.118	C	C	.	.	S	Bend	trans	53	36.1	-176.6	-153	69.5	-177.6	165.1	0.2	114	E221 E238 T617 G618 D619 H666 G667	E221-R692 IonicContact OE1-CZ 2.84Å; E221-R692 IonicContact OE1-NH1 2.88Å; E221-R692 PolarHBondContact OE1-NH1 3.08Å; E221-R692 IonicContact OE2-NH1 2.8Å; E221-R692 PolarHBondContact OE2-NH1 3.45Å; E238-R692 IonicContact OE1-CZ 2.78Å; E238-R692 IonicContact OE1-NE 3.08Å; E238-R692 PolarHBondContact OE1-NE 3.15Å; E238-R692 IonicContact OE1-NH2 3.86Å; E238-R692 PolarHBondContact OE1-NH2 3.1Å; T617-R692 PolarHBondContact O-N 3.37Å; T617-R692 VanDerWaalsContact O-N 3.12Å; G618-R692 WeakPolarHBondContact O-CD 3.43Å; D619-R692 PolarHBondContact O-N 2.9Å; H666-R692 WeakPolarHBondContact NE2-CB 3.35Å; G667-R692 WeakPolarHBondContact CA-O 3.06Å
693	T	90.8	Very high	93.4	Very high	9 Å²	9	26 Å²	26	6%	0.055	12%	0.123	C	C	.	.			trans	-83.9	142	-178.5	55.6	0	0	0	0	113.4	T617 L670 F690 A691 Q697 I701	T617-T693 VanDerWaalsContact C-OG1 3.27Å; T617-T693 PolarHBondContact O-N 2.93Å; T617-T693 PolarHBondContact O-OG1 3.33Å; L670-T693 HydrophobicContact CD2-CG2 4.33Å; F690-T693 HydrophobicContact CB-CG2 3.7Å; A691-T693 PolarHBondContact O-N 2.98Å; T693-Q697 VanDerWaalsContact CA-OE1 3.3Å; T693-I701 HydrophobicContact CG2-CD1 4.1Å
694	S	87.8	Confident	93.5	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.084	10%	0.1	C	C	.	.			trans	-79.6	158.9	169.4	67.6	0	0	0	0	111.9	Q696 Q697 K698	S694-Q696 PolarHBondContact O-N 2.94Å; S694-Q697 WeakPolarHBondContact O-CB 3.25Å; S694-Q697 PolarHBondContact O-N 3.45Å; S694-Q697 VanDerWaalsContact OG-CG 3.29Å; S694-Q697 WeakPolarHBondContact OG-CG 3.42Å; S694-Q697 PolarHBondContact OG-N 3.3Å; S694-K698 WeakPolarHBondContact O-CG 3.47Å; S694-K698 PolarHBondContact O-N 2.99Å
695	P	86.4	Confident	93.5	Very high	8 Å²	8	15.5 Å²	15.5	5%	0.052	8%	0.08	C	C	.	.	H	α-helix	trans	-51	-39.1	175.4	-27.1	33.4	0	0	0	113.6	I270 K698 L699 N720	I270-P695 HydrophobicContact CD1-CB 4.21Å; I270-P695 HydrophobicContact CD1-CG 3.79Å; I270-P695 HydrophobicContact CG1-CB 4.37Å; I270-P695 HydrophobicContact CG1-CG 4.46Å; P695-K698 WeakPolarHBondContact O-CB 3.19Å; P695-K698 PolarHBondContact O-N 3.46Å; P695-L699 PolarHBondContact O-N 3.49Å; P695-N720 WeakPolarHBondContact CA-O 3.42Å; P695-N720 HydrophobicContact CB-CB 4.3Å; P695-N720 WeakPolarHBondContact CB-O 3.39Å; P695-N720 HydrophobicContact CG-CB 3.75Å
696	Q	85.5	Confident	93.5	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.047	9%	0.085	C	C	.	.	H	α-helix	trans	-68.4	-39.3	177.7	-63.6	84.5	-13.4	0	0	111.7	K36 L273 S694 K698 L699 I700	K36-Q696 WeakPolarHBondContact O-CB 3.46Å; K36-Q696 WeakPolarHBondContact O-CG 3.46Å; L273-Q696 HydrophobicContact CD2-CG 4.45Å; S694-Q696 PolarHBondContact O-N 2.94Å; Q696-K698 VanDerWaalsContact C-N 3.32Å; Q696-K698 PolarHBondContact O-N 3.36Å; Q696-L699 WeakPolarHBondContact O-CB 3.36Å; Q696-L699 PolarHBondContact O-N 2.75Å; Q696-I700 WeakPolarHBondContact O-CG1 3.38Å; Q696-I700 PolarHBondContact O-N 2.86Å
697	Q	91	Very high	93.6	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-65.3	-36.2	175	-75.1	173.7	-18.3	0	0	111.9	G667 L670 T693 S694 L699 I700 I701	G667-Q697 PolarHBondContact O-NE2 3.05Å; L670-Q697 HydrophobicContact CD2-CB 3.88Å; L670-Q697 HydrophobicContact CD2-CG 4.02Å; T693-Q697 VanDerWaalsContact CA-OE1 3.3Å; S694-Q697 WeakPolarHBondContact O-CB 3.25Å; S694-Q697 PolarHBondContact O-N 3.45Å; S694-Q697 VanDerWaalsContact OG-CG 3.29Å; S694-Q697 WeakPolarHBondContact OG-CG 3.42Å; S694-Q697 PolarHBondContact OG-N 3.3Å; Q697-L699 VanDerWaalsContact C-N 3.28Å; Q697-L699 PolarHBondContact O-N 3.08Å; Q697-I700 PolarHBondContact O-N 3.41Å; Q697-I700 VanDerWaalsContact O-N 3.13Å; Q697-I701 WeakPolarHBondContact O-CD1 3.38Å; Q697-I701 VanDerWaalsContact O-CG1 3.27Å; Q697-I701 WeakPolarHBondContact O-CG1 3.19Å; Q697-I701 PolarHBondContact O-N 2.86Å
698	K	94.2	Very high	93.4	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.017	10%	0.097	C	C	.	.	H	α-helix	trans	-57.1	-44.2	173	-54.5	-152.6	178.8	-168.2	0	111.5	D376 V616 S694 P695 Q696 I701 V702 N720 D721 A724	D376-K698 IonicContact OD1-NZ 2.7Å; D376-K698 PolarHBondContact OD1-NZ 2.9Å; V616-K698 HydrophobicContact CG1-CB 3.99Å; V616-K698 HydrophobicContact CG1-CD 3.89Å; V616-K698 HydrophobicContact CG1-CG 3.64Å; V616-K698 WeakPolarHBondContact O-CE 3.43Å; V616-K698 PolarHBondContact O-NZ 3.27Å; S694-K698 WeakPolarHBondContact O-CG 3.47Å; S694-K698 PolarHBondContact O-N 2.99Å; P695-K698 WeakPolarHBondContact O-CB 3.19Å; P695-K698 PolarHBondContact O-N 3.46Å; Q696-K698 VanDerWaalsContact C-N 3.32Å; Q696-K698 PolarHBondContact O-N 3.36Å; K698-I701 PolarHBondContact O-N 2.83Å; K698-V702 WeakPolarHBondContact O-CG2 3.36Å; K698-V702 PolarHBondContact O-N 3.41Å; K698-V702 VanDerWaalsContact O-N 3.13Å; K698-N720 PolarHBondContact NZ-ND2 3.14Å; K698-D721 WeakPolarHBondContact CD-OD1 3.46Å; K698-D721 IonicContact NZ-OD1 3.53Å; K698-D721 PolarHBondContact NZ-OD1 3.31Å; K698-A724 HydrophobicContact CB-CB 3.89Å
699	L	92.6	Very high	93.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-46.2	173.8	172.7	65.9	0	0	0	112.1	K36 L273 L277 P695 Q696 Q697 I701 V702 E703 P723 K727	K36-L699 HydrophobicContact CD-CD2 4.48Å; K36-L699 HydrophobicContact CG-CD2 4.23Å; L273-L699 HydrophobicContact CD2-CD2 4.22Å; L277-L699 HydrophobicContact CD1-CD1 4Å; L277-L699 HydrophobicContact CD1-CD2 3.91Å; L277-L699 HydrophobicContact CD2-CD2 4.37Å; P695-L699 PolarHBondContact O-N 3.49Å; Q696-L699 WeakPolarHBondContact O-CB 3.36Å; Q696-L699 PolarHBondContact O-N 2.75Å; Q697-L699 VanDerWaalsContact C-N 3.28Å; Q697-L699 PolarHBondContact O-N 3.08Å; L699-I701 VanDerWaalsContact C-N 3.29Å; L699-I701 PolarHBondContact O-N 2.92Å; L699-V702 PolarHBondContact O-N 3.35Å; L699-E703 HydrophobicContact CD1-CG 4.28Å; L699-E703 WeakPolarHBondContact O-CG 3.08Å; L699-E703 PolarHBondContact O-N 3.48Å; L699-P723 HydrophobicContact CB-CB 4.24Å; L699-P723 HydrophobicContact CD2-CB 4.4Å; L699-K727 HydrophobicContact CD1-CB 3.26Å; L699-K727 HydrophobicContact CD1-CD 4.43Å; L699-K727 HydrophobicContact CD1-CG 3.47Å; L699-K727 VanDerWaalsContact CD1-CG 3.47Å
700	I	93.1	Very high	93	Very high	63 Å²	63	23.8 Å²	23.8	32%	0.323	12%	0.12	S	C	.	.	H	α-helix	trans	-61	-39.3	179.3	-68	166.4	0	0	0	111.4	L678 Q696 Q697 E703 G704	L678-I700 HydrophobicContact CD2-CG2 3.91Å; Q696-I700 WeakPolarHBondContact O-CG1 3.38Å; Q696-I700 PolarHBondContact O-N 2.86Å; Q697-I700 PolarHBondContact O-N 3.41Å; Q697-I700 VanDerWaalsContact O-N 3.13Å; I700-E703 PolarHBondContact O-N 3.1Å; I700-G704 PolarHBondContact O-N 3.31Å
701	I	96.4	Very high	93	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-46.8	176.6	-67.4	159.7	0	0	0	110.5	V616 L670 F690 T693 Q697 K698 L699 E703 G704 C705	V616-I701 HydrophobicContact CG1-CD1 3.68Å; V616-I701 HydrophobicContact CG2-CD1 4.39Å; V616-I701 HydrophobicContact CG2-CG2 4.03Å; L670-I701 HydrophobicContact CD2-CD1 3.87Å; L670-I701 HydrophobicContact CD2-CG1 4.06Å; F690-I701 HydrophobicContact CB-CD1 3.77Å; F690-I701 HydrophobicContact CD1-CD1 3.86Å; F690-I701 HydrophobicContact CD1-CG1 4.33Å; F690-I701 HydrophobicContact CD2-CD1 3.79Å; F690-I701 HydrophobicContact CD2-CG1 4.23Å; F690-I701 HydrophobicContact CD2-CG2 4Å; F690-I701 HydrophobicContact CE1-CD1 4.4Å; F690-I701 HydrophobicContact CE1-CG1 4.38Å; F690-I701 HydrophobicContact CE2-CD1 4.31Å; F690-I701 HydrophobicContact CE2-CG1 4.26Å; F690-I701 HydrophobicContact CE2-CG2 3.8Å; F690-I701 HydrophobicContact CG-CD1 3.53Å; F690-I701 HydrophobicContact CG-CG1 4.27Å; F690-I701 HydrophobicContact CZ-CG1 4.34Å; F690-I701 HydrophobicContact CZ-CG2 4.48Å; T693-I701 HydrophobicContact CG2-CD1 4.1Å; Q697-I701 WeakPolarHBondContact O-CD1 3.38Å; Q697-I701 VanDerWaalsContact O-CG1 3.27Å; Q697-I701 WeakPolarHBondContact O-CG1 3.19Å; Q697-I701 PolarHBondContact O-N 2.86Å; K698-I701 PolarHBondContact O-N 2.83Å; L699-I701 VanDerWaalsContact C-N 3.29Å; L699-I701 PolarHBondContact O-N 2.92Å; I701-E703 PolarHBondContact O-N 3.46Å; I701-G704 WeakPolarHBondContact O-CA 3.39Å; I701-G704 PolarHBondContact O-N 2.9Å; I701-G704 VanDerWaalsContact O-N 3.14Å; I701-C705 PolarHBondContact O-N 3.42Å
702	V	96.6	Very high	93.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-46.5	176.7	172.3	0	0	0	0	111	C374 K698 L699 G704 C705 Q706 V712 V714 A724 K727 A728	C374-V702 HydrophobicContact CB-CG2 4.47Å; K698-V702 WeakPolarHBondContact O-CG2 3.36Å; K698-V702 PolarHBondContact O-N 3.41Å; K698-V702 VanDerWaalsContact O-N 3.13Å; L699-V702 PolarHBondContact O-N 3.35Å; V702-G704 VanDerWaalsContact C-N 3.26Å; V702-G704 PolarHBondContact O-N 2.92Å; V702-C705 PolarHBondContact O-N 3.22Å; V702-Q706 WeakPolarHBondContact O-CG 3.3Å; V702-Q706 PolarHBondContact O-N 3.22Å; V702-V712 HydrophobicContact CG1-CG1 4.17Å; V702-V714 HydrophobicContact CG1-CG2 4.41Å; V702-V714 HydrophobicContact CG2-CG2 3.47Å; V702-V714 VanDerWaalsContact CG2-CG2 3.47Å; V702-A724 HydrophobicContact CG2-CB 4.03Å; V702-K727 HydrophobicContact CG1-CG 4.45Å; V702-A728 HydrophobicContact CG1-CB 4.46Å
703	E	94.6	Very high	93.6	Very high	35 Å²	35	21.6 Å²	21.6	16%	0.164	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-37.4	175.7	-71.2	-176.4	153.1	0	0	111.2	K36 L699 I700 I701 Q706 R707 K727	K36-E703 IonicContact NZ-OE1 2.91Å; K36-E703 PolarHBondContact NZ-OE1 3.29Å; K36-E703 IonicContact NZ-OE2 2.74Å; K36-E703 PolarHBondContact NZ-OE2 2.97Å; L699-E703 HydrophobicContact CD1-CG 4.28Å; L699-E703 WeakPolarHBondContact O-CG 3.08Å; L699-E703 PolarHBondContact O-N 3.48Å; I700-E703 PolarHBondContact O-N 3.1Å; I701-E703 PolarHBondContact O-N 3.46Å; E703-Q706 PolarHBondContact O-N 3.3Å; E703-R707 VanDerWaalsContact O-CG 3.31Å; E703-R707 WeakPolarHBondContact O-CG 3.45Å; E703-R707 PolarHBondContact O-N 2.9Å; E703-K727 HydrophobicContact CG-CG 3.97Å
704	G	95.8	Very high	94	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-43.8	174.3	0	0	0	0	0	113.6	I700 I701 V702 R707	I700-G704 PolarHBondContact O-N 3.31Å; I701-G704 WeakPolarHBondContact O-CA 3.39Å; I701-G704 PolarHBondContact O-N 2.9Å; I701-G704 VanDerWaalsContact O-N 3.14Å; V702-G704 VanDerWaalsContact C-N 3.26Å; V702-G704 PolarHBondContact O-N 2.92Å; G704-R707 VanDerWaalsContact CA-NH2 3.34Å; G704-R707 PolarHBondContact O-N 3.24Å
705	C	96.8	Very high	94.4	Very high	7 Å²	7	21 Å²	21	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-44.3	173.9	-65.8	0	0	0	0	111.7	I701 V702 R707 Q708 A710 V712	I701-C705 PolarHBondContact O-N 3.42Å; V702-C705 PolarHBondContact O-N 3.22Å; C705-R707 VanDerWaalsContact C-N 3.34Å; C705-R707 PolarHBondContact O-N 3.15Å; C705-Q708 WeakPolarHBondContact O-CB 3.4Å; C705-Q708 PolarHBondContact O-N 2.89Å; C705-A710 WeakPolarHBondContact O-CB 3.42Å; C705-V712 HydrophobicContact CB-CG1 4.49Å; C705-V712 HydrophobicContact CB-CG2 3.47Å; C705-V712 VanDerWaalsContact CB-CG2 3.47Å
706	Q	95.5	Very high	94.8	Very high	38 Å²	38	20.7 Å²	20.7	18%	0.178	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-36.4	177.7	-72.9	177	-27	0	0	112.6	V702 E703 Q708 G709 V712 K727 D729	V702-Q706 WeakPolarHBondContact O-CG 3.3Å; V702-Q706 PolarHBondContact O-N 3.22Å; E703-Q706 PolarHBondContact O-N 3.3Å; Q706-Q708 PolarHBondContact O-N 3.43Å; Q706-G709 WeakPolarHBondContact O-CA 3.23Å; Q706-G709 PolarHBondContact O-N 2.93Å; Q706-V712 HydrophobicContact CG-CB 4.23Å; Q706-V712 HydrophobicContact CG-CG2 3.76Å; Q706-K727 PolarHBondContact NE2-O 3.12Å; Q706-D729 PolarHBondContact NE2-OD2 3.27Å
707	R	94.8	Very high	94.9	Very high	107 Å²	107	20.7 Å²	20.7	40%	0.404	11%	0.108	S	C	.	.	H	α-helix	trans	-59.8	-28.3	175.4	-79.3	-167.8	-51.1	-93.2	4	113.3	D679 E703 G704 C705 G709	D679-R707 IonicContact OD1-CZ 3.58Å; D679-R707 IonicContact OD1-NE 3.93Å; D679-R707 PolarHBondContact OD1-NE 3.41Å; D679-R707 IonicContact OD1-NH2 2.95Å; D679-R707 PolarHBondContact OD1-NH2 3.38Å; D679-R707 IonicContact OD2-NE 3.27Å; E703-R707 VanDerWaalsContact O-CG 3.31Å; E703-R707 WeakPolarHBondContact O-CG 3.45Å; E703-R707 PolarHBondContact O-N 2.9Å; G704-R707 VanDerWaalsContact CA-NH2 3.34Å; G704-R707 PolarHBondContact O-N 3.24Å; C705-R707 VanDerWaalsContact C-N 3.34Å; C705-R707 PolarHBondContact O-N 3.15Å; R707-G709 PolarHBondContact O-N 3.03Å
708	Q	93.4	Very high	94.5	Very high	77 Å²	77	20.5 Å²	20.5	36%	0.36	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.5	173.1	-56.3	-52.4	-42.9	0	0	113.1	D679 K683 C705 Q706	D679-Q708 PolarHBondContact OD1-NE2 3.32Å; D679-Q708 PolarHBondContact OD2-NE2 2.99Å; D679-Q708 VanDerWaalsContact OD2-NE2 3.12Å; K683-Q708 VanDerWaalsContact CE-CD 3.49Å; C705-Q708 WeakPolarHBondContact O-CB 3.4Å; C705-Q708 PolarHBondContact O-N 2.89Å; Q706-Q708 PolarHBondContact O-N 3.43Å
709	G	92.1	Very high	93.9	Very high	32 Å²	32	20.6 Å²	20.6	33%	0.33	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	18.3	-174.7	0	0	0	0	0	113.7	Q706 R707	Q706-G709 WeakPolarHBondContact O-CA 3.23Å; Q706-G709 PolarHBondContact O-N 2.93Å; R707-G709 PolarHBondContact O-N 3.03Å
710	A	95.2	Very high	93.6	Very high	19 Å²	19	20.6 Å²	20.6	16%	0.157	11%	0.11	C	C	.	.			trans	-79.6	148.1	173	0	0	0	0	0	110.7	S371 C705 V712	S371-A710 WeakPolarHBondContact OG-CA 3.37Å; S371-A710 WeakPolarHBondContact OG-CB 3.44Å; C705-A710 WeakPolarHBondContact O-CB 3.42Å; A710-V712 HydrophobicContact CB-CG2 4.42Å
711	I	97.6	Very high	93.5	Very high	18 Å²	18	17.8 Å²	17.8	9%	0.092	10%	0.095	C	C	.	.			trans	-89.1	119.3	167.9	-54.1	-53.1	0	0	0	107.6	P283 T366 S369 S371 T372 D729 P839	P283-I711 HydrophobicContact CG-CD1 3.96Å; P283-I711 HydrophobicContact CG-CG1 4.32Å; P283-I711 HydrophobicContact CG-CG2 4Å; T366-I711 HydrophobicContact CG2-CG2 4.08Å; S369-I711 WeakPolarHBondContact O-CB 3.42Å; S371-I711 PolarHBondContact N-O 3.37Å; S371-I711 PolarHBondContact OG-N 3.17Å; S371-I711 VanDerWaalsContact OG-N 3.1Å; S371-I711 PolarHBondContact OG-O 3.43Å; T372-I711 PolarHBondContact N-O 3.5Å; T372-I711 VanDerWaalsContact N-O 3.13Å; I711-D729 HydrophobicContact CG2-CB 3.87Å; I711-P839 HydrophobicContact CD1-CB 4.47Å; I711-P839 HydrophobicContact CD1-CG 4.24Å; I711-P839 HydrophobicContact CG1-CG 4.31Å
712	V	97.9	Very high	93	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.5	-169	-173.3	0	0	0	0	110.3	T372 V702 C705 Q706 A710 V714 D729 I730	T372-V712 WeakPolarHBondContact O-CA 3.45Å; V702-V712 HydrophobicContact CG1-CG1 4.17Å; C705-V712 HydrophobicContact CB-CG1 4.49Å; C705-V712 HydrophobicContact CB-CG2 3.47Å; C705-V712 VanDerWaalsContact CB-CG2 3.47Å; Q706-V712 HydrophobicContact CG-CB 4.23Å; Q706-V712 HydrophobicContact CG-CG2 3.76Å; A710-V712 HydrophobicContact CB-CG2 4.42Å; V712-V714 HydrophobicContact CG1-CG2 4.47Å; V712-D729 PolarHBondContact N-OD2 3.23Å; V712-D729 PolarHBondContact O-N 3.2Å; V712-I730 PolarHBondContact O-N 2.85Å
713	A	98	Very high	92.6	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.4	166.1	0	0	0	0	0	109.8	L367 T370 T372 I373 C374 I730	L367-A713 HydrophobicContact CD2-CB 4.39Å; T370-A713 HydrophobicContact CG2-CB 3.62Å; T372-A713 PolarHBondContact O-N 3.26Å; I373-A713 CarbonylContact C-O 3.59Å; I373-A713 WeakPolarHBondContact CA-O 3.49Å; I373-A713 HydrophobicContact CG1-CB 4.22Å; C374-A713 PolarHBondContact N-O 3.06Å; A713-I730 VanDerWaalsContact CA-O 3.31Å; A713-I730 WeakPolarHBondContact CA-O 3.37Å; A713-I730 HydrophobicContact CB-CG2 3.5Å
714	V	98.3	Very high	92.6	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.03	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.6	172.2	174.9	0	0	0	0	109.5	C374 V702 V712 A724 L725 A728 I730 V732	C374-V714 HydrophobicContact CB-CG2 4.04Å; C374-V714 CarbonylContact O-C 3.48Å; C374-V714 VanDerWaalsContact O-CA 3.25Å; C374-V714 WeakPolarHBondContact O-CA 3.31Å; V702-V714 HydrophobicContact CG1-CG2 4.41Å; V702-V714 HydrophobicContact CG2-CG2 3.47Å; V702-V714 VanDerWaalsContact CG2-CG2 3.47Å; V712-V714 HydrophobicContact CG1-CG2 4.47Å; V714-A724 HydrophobicContact CG1-CB 4.13Å; V714-A724 HydrophobicContact CG2-CB 4.42Å; V714-L725 HydrophobicContact CB-CD2 4.12Å; V714-L725 HydrophobicContact CG1-CD2 3.79Å; V714-L725 HydrophobicContact CG1-CG 4.04Å; V714-L725 WeakPolarHBondContact O-CD2 3.38Å; V714-A728 HydrophobicContact CB-CB 3.88Å; V714-A728 HydrophobicContact CG2-CB 3.54Å; V714-I730 PolarHBondContact N-O 3.36Å; V714-V732 PolarHBondContact O-N 3.02Å
715	T	97.1	Very high	92.4	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.025	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.5	172.1	48.8	0	0	0	0	109.4	C374 S375 D376 V732 F755 I758	C374-T715 PolarHBondContact O-N 3.4Å; S375-T715 VanDerWaalsContact CA-OG1 3.27Å; S375-T715 WeakPolarHBondContact CA-OG1 3.42Å; S375-T715 WeakPolarHBondContact CB-OG1 3.29Å; S375-T715 PolarHBondContact OG-OG1 2.98Å; D376-T715 PolarHBondContact N-O 2.95Å; T715-V732 WeakPolarHBondContact CA-O 3.44Å; T715-V732 HydrophobicContact CG2-CB 3.87Å; T715-V732 HydrophobicContact CG2-CG1 4.39Å; T715-V732 HydrophobicContact CG2-CG2 4.33Å; T715-F755 HydrophobicContact CG2-CE2 4.12Å; T715-I758 HydrophobicContact CG2-CD1 3.75Å; T715-I758 HydrophobicContact CG2-CG1 4.21Å
716	G	94	Very high	92	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	167.8	-175.9	0	0	0	0	0	113.5	T380 D721 V732 A733 M734	T380-G716 VanDerWaalsContact OG1-CA 3.29Å; T380-G716 WeakPolarHBondContact OG1-CA 3.47Å; G716-D721 WeakPolarHBondContact CA-OD2 3.22Å; G716-V732 PolarHBondContact N-O 3.03Å; G716-A733 WeakPolarHBondContact O-CA 3.28Å; G716-M734 PolarHBondContact O-N 3.42Å
717	D	88.4	Confident	91.9	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.053	10%	0.102	C	C	.	.			trans	-134	-38.7	-178.6	76.5	-44.8	0	0	0	111.4	G379 T380 D721 M734 G738 S739 S742	G379-D717 WeakPolarHBondContact CA-OD2 3.46Å; T380-D717 PolarHBondContact OG1-N 3.32Å; D717-D721 PolarHBondContact N-OD2 3.15Å; D717-M734 HydrophobicContact CB-CB 3.95Å; D717-M734 HydrophobicContact CB-CG 3.77Å; D717-G738 CarbonylContact O-C 3.32Å; D717-G738 VanDerWaalsContact O-CA 3.31Å; D717-G738 WeakPolarHBondContact O-CA 3.49Å; D717-S739 PolarHBondContact O-N 3.48Å; D717-S739 PolarHBondContact O-OG 3.36Å; D717-S742 WeakPolarHBondContact O-CB 3.39Å; D717-S742 PolarHBondContact O-OG 2.86Å
718	G	82.9	Confident	91.9	Very high	7 Å²	7	14.7 Å²	14.7	7%	0.072	8%	0.083	C	C	.	.	S	Bend	trans	-77	167.5	-178.3	0	0	0	0	0	114.3	N720 D721 S742	G718-N720 VanDerWaalsContact C-N 3.27Å; G718-N720 WeakPolarHBondContact CA-OD1 3.4Å; G718-N720 PolarHBondContact O-N 3.18Å; G718-D721 PolarHBondContact N-OD2 3.26Å; G718-D721 PolarHBondContact O-N 3.2Å; G718-S742 WeakPolarHBondContact O-CB 3.18Å
719	V	81.5	Confident	92	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.036	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-72.2	-27.9	178.7	-174.3	0	0	0	0	111.4	S217 M267 I270 D721 S722 S739 V741	S217-V719 PolarHBondContact O-N 3.27Å; M267-V719 HydrophobicContact CE-CB 3.36Å; M267-V719 HydrophobicContact CE-CG1 3.24Å; M267-V719 HydrophobicContact CE-CG2 3.58Å; M267-V719 HydrophobicContact SD-CB 4.34Å; M267-V719 HydrophobicContact SD-CG1 4.21Å; I270-V719 HydrophobicContact CG2-CG1 4.32Å; V719-D721 PolarHBondContact O-N 3.48Å; V719-D721 VanDerWaalsContact O-N 3.16Å; V719-S722 WeakPolarHBondContact CA-OG 3.38Å; V719-S722 VanDerWaalsContact O-CB 3.3Å; V719-S722 WeakPolarHBondContact O-CB 3.34Å; V719-S722 PolarHBondContact O-N 2.89Å; V719-S722 PolarHBondContact O-OG 2.87Å; V719-S739 WeakPolarHBondContact CG2-OG 3.43Å; V719-V741 HydrophobicContact CB-CB 4.47Å; V719-V741 HydrophobicContact CG1-CB 3.85Å; V719-V741 HydrophobicContact CG1-CG1 3.89Å; V719-V741 HydrophobicContact CG1-CG2 4.05Å; V719-V741 HydrophobicContact CG2-CB 4.12Å; V719-V741 HydrophobicContact CG2-CG2 4.08Å
720	N	85	Confident	92.2	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-53.2	-26.1	168.9	60.8	-31.7	0	0	0	113.9	S217 L218 P695 K698 G718	S217-N720 PolarHBondContact O-N 2.98Å; L218-N720 VanDerWaalsContact O-CB 3.31Å; L218-N720 WeakPolarHBondContact O-CB 3.32Å; P695-N720 WeakPolarHBondContact CA-O 3.42Å; P695-N720 HydrophobicContact CB-CB 4.3Å; P695-N720 WeakPolarHBondContact CB-O 3.39Å; P695-N720 HydrophobicContact CG-CB 3.75Å; K698-N720 PolarHBondContact NZ-ND2 3.14Å; G718-N720 VanDerWaalsContact C-N 3.27Å; G718-N720 WeakPolarHBondContact CA-OD1 3.4Å; G718-N720 PolarHBondContact O-N 3.18Å
721	D	91.3	Very high	92.2	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.016	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-84	-16.6	178.6	-60.1	-37.4	0	0	0	113.2	K698 G716 D717 G718 V719 A724 L725	K698-D721 WeakPolarHBondContact CD-OD1 3.46Å; K698-D721 IonicContact NZ-OD1 3.53Å; K698-D721 PolarHBondContact NZ-OD1 3.31Å; G716-D721 WeakPolarHBondContact CA-OD2 3.22Å; D717-D721 PolarHBondContact N-OD2 3.15Å; G718-D721 PolarHBondContact N-OD2 3.26Å; G718-D721 PolarHBondContact O-N 3.2Å; V719-D721 PolarHBondContact O-N 3.48Å; V719-D721 VanDerWaalsContact O-N 3.16Å; D721-A724 PolarHBondContact O-N 3.4Å; D721-L725 HydrophobicContact CB-CD1 3.83Å; D721-L725 HydrophobicContact CB-CG 4.12Å; D721-L725 WeakPolarHBondContact O-CB 3.28Å; D721-L725 WeakPolarHBondContact O-CG 3.35Å; D721-L725 PolarHBondContact O-N 3.14Å
722	S	86.8	Confident	92.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-55.8	-43.4	-170.7	-43.9	0	0	0	0	114.2	V719 K726 V741	V719-S722 WeakPolarHBondContact CA-OG 3.38Å; V719-S722 VanDerWaalsContact O-CB 3.3Å; V719-S722 WeakPolarHBondContact O-CB 3.34Å; V719-S722 PolarHBondContact O-N 2.89Å; V719-S722 PolarHBondContact O-OG 2.87Å; S722-K726 WeakPolarHBondContact O-CB 3.44Å; S722-K726 PolarHBondContact O-N 3.42Å; S722-V741 WeakPolarHBondContact OG-CG1 3.29Å
723	P	88.4	Confident	92	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.5	-41.4	176.4	-21.3	34.5	0	0	0	112.6	I270 L273 A274 L277 L699 K726 K727	I270-P723 HydrophobicContact CG2-CG 3.88Å; L273-P723 HydrophobicContact CD2-CB 4.09Å; L273-P723 HydrophobicContact CD2-CG 4.14Å; L273-P723 HydrophobicContact CG-CB 4.43Å; A274-P723 HydrophobicContact CB-CG 4.48Å; L277-P723 HydrophobicContact CD1-CB 4.1Å; L699-P723 HydrophobicContact CB-CB 4.24Å; L699-P723 HydrophobicContact CD2-CB 4.4Å; P723-K726 PolarHBondContact O-N 2.96Å; P723-K727 WeakPolarHBondContact O-CB 3.43Å; P723-K727 PolarHBondContact O-N 3.21Å; P723-K727 VanDerWaalsContact O-N 3.1Å
724	A	93.4	Very high	91.7	Very high	3 Å²	3	9.3 Å²	9.3	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-67.6	-45.3	178.6	0	0	0	0	0	111.3	K698 V702 V714 D721 K726 K727 A728	K698-A724 HydrophobicContact CB-CB 3.89Å; V702-A724 HydrophobicContact CG2-CB 4.03Å; V714-A724 HydrophobicContact CG1-CB 4.13Å; V714-A724 HydrophobicContact CG2-CB 4.42Å; D721-A724 PolarHBondContact O-N 3.4Å; A724-K726 VanDerWaalsContact C-N 3.28Å; A724-K726 PolarHBondContact O-N 3.28Å; A724-K727 PolarHBondContact O-N 2.84Å; A724-A728 WeakPolarHBondContact O-CB 3.27Å; A724-A728 PolarHBondContact O-N 2.99Å
725	L	92.7	Very high	91.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.7	-41.7	174.8	-76	168.6	0	0	0	111.8	V714 D721 G731 V732 A745 A746	V714-L725 HydrophobicContact CB-CD2 4.12Å; V714-L725 HydrophobicContact CG1-CD2 3.79Å; V714-L725 HydrophobicContact CG1-CG 4.04Å; V714-L725 WeakPolarHBondContact O-CD2 3.38Å; D721-L725 HydrophobicContact CB-CD1 3.83Å; D721-L725 HydrophobicContact CB-CG 4.12Å; D721-L725 WeakPolarHBondContact O-CB 3.28Å; D721-L725 WeakPolarHBondContact O-CG 3.35Å; D721-L725 PolarHBondContact O-N 3.14Å; L725-G731 WeakPolarHBondContact O-CA 3.48Å; L725-V732 WeakPolarHBondContact CD2-O 3.42Å; L725-A745 HydrophobicContact CB-CB 4.3Å; L725-A746 HydrophobicContact CD2-CB 4.39Å
726	K	88.1	Confident	90.5	Very high	65 Å²	65	15.3 Å²	15.3	28%	0.283	8%	0.081	S	C	.	.	H	α-helix	trans	-73.5	-34.8	-178.6	-170.5	61.6	169.5	173.6	0	113.4	A274 L277 S722 P723 A724	A274-K726 WeakPolarHBondContact O-CG 3.39Å; L277-K726 HydrophobicContact CB-CG 4.13Å; S722-K726 WeakPolarHBondContact O-CB 3.44Å; S722-K726 PolarHBondContact O-N 3.42Å; P723-K726 PolarHBondContact O-N 2.96Å; A724-K726 VanDerWaalsContact C-N 3.28Å; A724-K726 PolarHBondContact O-N 3.28Å
727	K	92.4	Very high	89.9	Confident	55 Å²	55	17.2 Å²	17.2	24%	0.239	10%	0.097	C	C	.	.	H	α-helix	trans	-81.6	-26.8	-178.5	-176.1	59.8	-177.5	169.7	0	113	L699 V702 E703 Q706 P723 A724	L699-K727 HydrophobicContact CD1-CB 3.26Å; L699-K727 HydrophobicContact CD1-CD 4.43Å; L699-K727 HydrophobicContact CD1-CG 3.47Å; L699-K727 VanDerWaalsContact CD1-CG 3.47Å; V702-K727 HydrophobicContact CG1-CG 4.45Å; E703-K727 HydrophobicContact CG-CG 3.97Å; Q706-K727 PolarHBondContact NE2-O 3.12Å; P723-K727 WeakPolarHBondContact O-CB 3.43Å; P723-K727 PolarHBondContact O-N 3.21Å; P723-K727 VanDerWaalsContact O-N 3.1Å; A724-K727 PolarHBondContact O-N 2.84Å
728	A	95.8	Very high	89.6	Confident	1 Å²	1	17 Å²	17	1%	0.008	10%	0.097	C	C	.	.	S	Bend	trans	-53.7	153.3	174.8	0	0	0	0	0	111.5	V702 V714 A724 I730	V702-A728 HydrophobicContact CG1-CB 4.46Å; V714-A728 HydrophobicContact CB-CB 3.88Å; V714-A728 HydrophobicContact CG2-CB 3.54Å; A724-A728 WeakPolarHBondContact O-CB 3.27Å; A724-A728 PolarHBondContact O-N 2.99Å; A728-I730 PolarHBondContact O-N 3.07Å
729	D	95.5	Very high	89.3	Confident	32 Å²	32	18 Å²	18	17%	0.171	10%	0.103	C	C	.	.	S	Bend	trans	-66	-29.3	172.7	-56.3	-73.1	0	0	0	110.5	T366 Q706 I711 V712	T366-D729 HydrophobicContact CG2-CB 3.98Å; Q706-D729 PolarHBondContact NE2-OD2 3.27Å; I711-D729 HydrophobicContact CG2-CB 3.87Å; V712-D729 PolarHBondContact N-OD2 3.23Å; V712-D729 PolarHBondContact O-N 3.2Å
730	I	95.7	Very high	89	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	123.4	164.6	-171.9	-177.2	0	0	0	111.5	A363 T366 L367 V712 A713 V714 A728 V732 D747 M748	A363-I730 HydrophobicContact CB-CD1 3.84Å; A363-I730 HydrophobicContact CB-CG1 4.04Å; A363-I730 WeakPolarHBondContact O-CD1 3.25Å; T366-I730 HydrophobicContact CG2-CB 3.76Å; T366-I730 HydrophobicContact CG2-CG2 3.83Å; L367-I730 HydrophobicContact CD1-CD1 3.77Å; L367-I730 HydrophobicContact CD2-CD1 4.02Å; L367-I730 HydrophobicContact CD2-CG2 4.07Å; L367-I730 HydrophobicContact CG-CD1 3.5Å; L367-I730 VanDerWaalsContact CG-CD1 3.5Å; L367-I730 HydrophobicContact CG-CG2 4.34Å; V712-I730 PolarHBondContact O-N 2.85Å; A713-I730 VanDerWaalsContact CA-O 3.31Å; A713-I730 WeakPolarHBondContact CA-O 3.37Å; A713-I730 HydrophobicContact CB-CG2 3.5Å; V714-I730 PolarHBondContact N-O 3.36Å; A728-I730 PolarHBondContact O-N 3.07Å; I730-V732 HydrophobicContact CD1-CG2 4.41Å; I730-V732 HydrophobicContact CG1-CG2 4.47Å; I730-D747 HydrophobicContact CG1-CB 4.05Å; I730-M748 HydrophobicContact CD1-CB 4.35Å; I730-M748 HydrophobicContact CD1-SD 4.45Å
731	G	95.8	Very high	88.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.9	167.6	0	0	0	0	0	112.2	L725 A746 D747 M748	L725-G731 WeakPolarHBondContact O-CA 3.48Å; G731-A746 WeakPolarHBondContact O-CB 3.39Å; G731-D747 PolarHBondContact N-OD2 3.02Å; G731-D747 PolarHBondContact O-N 3.4Å; G731-M748 PolarHBondContact O-N 2.89Å
732	V	96.5	Very high	88.2	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.2	175.6	-173	0	0	0	0	110.4	V714 T715 G716 L725 I730 M748 L750 I758	V714-V732 PolarHBondContact O-N 3.02Å; T715-V732 WeakPolarHBondContact CA-O 3.44Å; T715-V732 HydrophobicContact CG2-CB 3.87Å; T715-V732 HydrophobicContact CG2-CG1 4.39Å; T715-V732 HydrophobicContact CG2-CG2 4.33Å; G716-V732 PolarHBondContact N-O 3.03Å; L725-V732 WeakPolarHBondContact CD2-O 3.42Å; I730-V732 HydrophobicContact CD1-CG2 4.41Å; I730-V732 HydrophobicContact CG1-CG2 4.47Å; V732-M748 WeakPolarHBondContact CA-O 3.39Å; V732-M748 HydrophobicContact CB-CE 4.21Å; V732-M748 HydrophobicContact CG1-CE 3.56Å; V732-M748 HydrophobicContact CG2-CB 4.39Å; V732-M748 HydrophobicContact CG2-CE 3.6Å; V732-L750 HydrophobicContact CG1-CD1 4.02Å; V732-L750 HydrophobicContact CG1-CD2 4.09Å; V732-L750 HydrophobicContact CG1-CG 3.74Å; V732-I758 HydrophobicContact CB-CD1 4.14Å; V732-I758 HydrophobicContact CG1-CD1 3.7Å; V732-I758 HydrophobicContact CG2-CD1 3.98Å
733	A	93.7	Very high	88	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.2	179.5	0	0	0	0	0	113	G716 K743 A746 M748 I749 L750	G716-A733 WeakPolarHBondContact O-CA 3.28Å; A733-K743 HydrophobicContact CB-CG 4.15Å; A733-A746 HydrophobicContact CB-CB 3.64Å; A733-M748 PolarHBondContact N-O 3.3Å; A733-I749 WeakPolarHBondContact O-CA 3.45Å; A733-L750 PolarHBondContact O-N 2.96Å
734	M	92.3	Very high	87.5	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.4	169.7	-54.7	-55.3	-82.6	0	0	110.3	G716 D717 A737 G738 K743 L750 D753	G716-M734 PolarHBondContact O-N 3.42Å; D717-M734 HydrophobicContact CB-CB 3.95Å; D717-M734 HydrophobicContact CB-CG 3.77Å; M734-A737 HydrophobicContact CB-CB 4.27Å; M734-G738 VanDerWaalsContact O-CA 3.26Å; M734-G738 WeakPolarHBondContact O-CA 3.5Å; M734-G738 PolarHBondContact O-N 2.67Å; M734-K743 WeakPolarHBondContact O-CE 3.27Å; M734-L750 HydrophobicContact SD-CD1 4.16Å; M734-D753 HydrophobicContact CE-CB 3.59Å; M734-D753 VanDerWaalsContact CE-O 3.26Å; M734-D753 WeakPolarHBondContact CE-O 3.4Å
735	G	86.5	Confident	87	Confident	16 Å²	16	29.8 Å²	29.8	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	-80.3	-31.3	-172.7	0	0	0	0	0	113.8	K743 L750 D753	G735-K743 WeakPolarHBondContact O-CE 3.37Å; G735-K743 PolarHBondContact O-NZ 3.39Å; G735-L750 WeakPolarHBondContact CA-O 3.46Å; G735-L750 PolarHBondContact N-O 3.37Å; G735-D753 PolarHBondContact N-OD1 3.47Å
736	I	84.8	Confident	86.8	Confident	120 Å²	120	29.9 Å²	29.9	62%	0.615	17%	0.165	S	C	*	.	S	Bend	trans	-101.9	-60	-179.5	-51.7	172.6	0	0	0	109.4	G738 D753	I736-G738 VanDerWaalsContact C-N 3.27Å; I736-G738 PolarHBondContact O-N 3.23Å; I736-D753 PolarHBondContact N-OD1 3.23Å
737	A	79.9	Confident	86.9	Confident	39 Å²	39	28.2 Å²	28.2	32%	0.322	16%	0.159	S	C	.	.	S	Bend	trans	-67.3	-26.1	-179.6	0	0	0	0	0	113.6	M734 D753	M734-A737 HydrophobicContact CB-CB 4.27Å; A737-D753 VanDerWaalsContact CB-OD2 3.25Å; A737-D753 WeakPolarHBondContact CB-OD2 3.34Å; A737-D753 PolarHBondContact N-OD2 3.13Å
738	G	81.8	Confident	86.8	Confident	7 Å²	7	25.6 Å²	25.6	7%	0.072	15%	0.148	C	C	.	.	S	Bend	trans	-67.3	142.4	-175.2	0	0	0	0	0	113.9	D717 M734 I736 K743	D717-G738 CarbonylContact O-C 3.32Å; D717-G738 VanDerWaalsContact O-CA 3.31Å; D717-G738 WeakPolarHBondContact O-CA 3.49Å; M734-G738 VanDerWaalsContact O-CA 3.26Å; M734-G738 WeakPolarHBondContact O-CA 3.5Å; M734-G738 PolarHBondContact O-N 2.67Å; I736-G738 VanDerWaalsContact C-N 3.27Å; I736-G738 PolarHBondContact O-N 3.23Å; G738-K743 WeakPolarHBondContact O-CE 3.22Å; G738-K743 PolarHBondContact O-NZ 2.93Å
739	S	78.1	Confident	86.7	Confident	26 Å²	26	25.9 Å²	25.9	18%	0.182	15%	0.149	C	C	.	.			trans	-64.8	158.2	166.4	71.1	0	0	0	0	111.7	D717 V719 V741 S742 K743	D717-S739 PolarHBondContact O-N 3.48Å; D717-S739 PolarHBondContact O-OG 3.36Å; V719-S739 WeakPolarHBondContact CG2-OG 3.43Å; S739-V741 PolarHBondContact O-N 2.91Å; S739-S742 PolarHBondContact N-OG 3.37Å; S739-S742 PolarHBondContact O-N 3.1Å; S739-S742 PolarHBondContact O-OG 2.89Å; S739-S742 WeakPolarHBondContact OG-CB 3.37Å; S739-S742 PolarHBondContact OG-N 2.81Å; S739-S742 PolarHBondContact OG-OG 2.89Å; S739-S742 VanDerWaalsContact OG-OG 3.13Å; S739-K743 WeakPolarHBondContact O-CG 3.31Å; S739-K743 PolarHBondContact O-N 3.05Å; S739-K743 VanDerWaalsContact O-N 3.09Å
740	D	74.1	Confident	86.6	Confident	94 Å²	94	24.4 Å²	24.4	50%	0.503	14%	0.141	S	C	.	.	H	α-helix	trans	-65.9	-30.8	177.9	-61	-39.7	0	0	0	112.1	Q744	D740-Q744 WeakPolarHBondContact O-CB 3.38Å; D740-Q744 VanDerWaalsContact O-CG 3.25Å; D740-Q744 WeakPolarHBondContact O-CG 3.47Å; D740-Q744 PolarHBondContact O-N 3.49Å
741	V	76.4	Confident	86.3	Confident	45 Å²	45	27.8 Å²	27.8	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-68.6	-44.1	178.7	-168.8	0	0	0	0	110.6	V719 S722 S739 Q744 A745	V719-V741 HydrophobicContact CB-CB 4.47Å; V719-V741 HydrophobicContact CG1-CB 3.85Å; V719-V741 HydrophobicContact CG1-CG1 3.89Å; V719-V741 HydrophobicContact CG1-CG2 4.05Å; V719-V741 HydrophobicContact CG2-CB 4.12Å; V719-V741 HydrophobicContact CG2-CG2 4.08Å; S722-V741 WeakPolarHBondContact OG-CG1 3.29Å; S739-V741 PolarHBondContact O-N 2.91Å; V741-Q744 PolarHBondContact O-N 2.87Å; V741-A745 VanDerWaalsContact O-CB 3.32Å; V741-A745 WeakPolarHBondContact O-CB 3.42Å; V741-A745 PolarHBondContact O-N 3.49Å
742	S	82.7	Confident	86	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-43.5	177.1	65.7	0	0	0	0	111.6	D717 G718 S739 Q744 A745 A746	D717-S742 WeakPolarHBondContact O-CB 3.39Å; D717-S742 PolarHBondContact O-OG 2.86Å; G718-S742 WeakPolarHBondContact O-CB 3.18Å; S739-S742 PolarHBondContact N-OG 3.37Å; S739-S742 PolarHBondContact O-N 3.1Å; S739-S742 PolarHBondContact O-OG 2.89Å; S739-S742 WeakPolarHBondContact OG-CB 3.37Å; S739-S742 PolarHBondContact OG-N 2.81Å; S739-S742 PolarHBondContact OG-OG 2.89Å; S739-S742 VanDerWaalsContact OG-OG 3.13Å; S742-Q744 VanDerWaalsContact C-N 3.28Å; S742-Q744 PolarHBondContact O-N 3.46Å; S742-A745 PolarHBondContact O-N 3.49Å; S742-A746 WeakPolarHBondContact O-CB 3.23Å; S742-A746 PolarHBondContact O-N 2.95Å
743	K	82.8	Confident	85.7	Confident	29 Å²	29	30.9 Å²	30.9	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-37.5	174.3	-70.9	171.6	-167.5	164.4	0	112.5	K359 A733 M734 G735 G738 S739 I749	K359-K743 PolarHBondContact NZ-O 3.16Å; A733-K743 HydrophobicContact CB-CG 4.15Å; M734-K743 WeakPolarHBondContact O-CE 3.27Å; G735-K743 WeakPolarHBondContact O-CE 3.37Å; G735-K743 PolarHBondContact O-NZ 3.39Å; G738-K743 WeakPolarHBondContact O-CE 3.22Å; G738-K743 PolarHBondContact O-NZ 2.93Å; S739-K743 WeakPolarHBondContact O-CG 3.31Å; S739-K743 PolarHBondContact O-N 3.05Å; S739-K743 VanDerWaalsContact O-N 3.09Å; K743-I749 HydrophobicContact CB-CD1 4.2Å
744	Q	79.1	Confident	85.6	Confident	82 Å²	82	33.7 Å²	33.7	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-74.2	-38.9	176.5	-76.2	-179.1	19	0	0	112.5	M158 K359 D740 V741 S742	M158-Q744 HydrophobicContact CG-CG 4.33Å; M158-Q744 HydrophobicContact SD-CG 3.87Å; K359-Q744 PolarHBondContact NZ-O 2.98Å; D740-Q744 WeakPolarHBondContact O-CB 3.38Å; D740-Q744 VanDerWaalsContact O-CG 3.25Å; D740-Q744 WeakPolarHBondContact O-CG 3.47Å; D740-Q744 PolarHBondContact O-N 3.49Å; V741-Q744 PolarHBondContact O-N 2.87Å; S742-Q744 VanDerWaalsContact C-N 3.28Å; S742-Q744 PolarHBondContact O-N 3.46Å
745	A	82.2	Confident	85.5	Confident	11 Å²	11	33.8 Å²	33.8	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-33.8	-178.7	0	0	0	0	0	113.8	L725 V741 S742	L725-A745 HydrophobicContact CB-CB 4.3Å; V741-A745 VanDerWaalsContact O-CB 3.32Å; V741-A745 WeakPolarHBondContact O-CB 3.42Å; V741-A745 PolarHBondContact O-N 3.49Å; S742-A745 PolarHBondContact O-N 3.49Å
746	A	89.4	Confident	85.7	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.017	19%	0.193	C	C	.	.	S	Bend	trans	-63.7	176.3	-179.9	0	0	0	0	0	113.3	K359 L725 G731 A733 S742	K359-A746 VanDerWaalsContact CE-C 3.48Å; K359-A746 WeakPolarHBondContact CE-O 3.17Å; K359-A746 PolarHBondContact NZ-O 2.67Å; L725-A746 HydrophobicContact CD2-CB 4.39Å; G731-A746 WeakPolarHBondContact O-CB 3.39Å; A733-A746 HydrophobicContact CB-CB 3.64Å; S742-A746 WeakPolarHBondContact O-CB 3.23Å; S742-A746 PolarHBondContact O-N 2.95Å
747	D	89.7	Confident	86.2	Confident	31 Å²	31	28.9 Å²	28.9	17%	0.166	17%	0.166	C	C	.	.	S	Bend	trans	-111.6	-16.7	170.4	-56.8	-69.8	0	0	0	111.8	K359 A363 I730 G731	K359-D747 WeakPolarHBondContact CA-O 3.34Å; K359-D747 VanDerWaalsContact CB-O 3.23Å; K359-D747 WeakPolarHBondContact CB-O 3.38Å; K359-D747 PolarHBondContact N-O 3.04Å; A363-D747 HydrophobicContact CB-CB 3.89Å; I730-D747 HydrophobicContact CG1-CB 4.05Å; G731-D747 PolarHBondContact N-OD2 3.02Å; G731-D747 PolarHBondContact O-N 3.4Å
748	M	91.2	Very high	86.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.3	-179.2	-169.7	173.9	83.8	0	0	110.9	C356 L357 V358 L367 I730 G731 V732 A733 L750 I758	C356-M748 PolarHBondContact SG-SD 3.33Å; L357-M748 CarbonylContact O-C 3.58Å; L357-M748 WeakPolarHBondContact O-CA 3.3Å; L357-M748 WeakPolarHBondContact O-CG 3.34Å; V358-M748 HydrophobicContact CG2-CG 4.02Å; V358-M748 HydrophobicContact CG2-SD 4.1Å; L367-M748 HydrophobicContact CD1-CE 3.48Å; L367-M748 VanDerWaalsContact CD1-CE 3.48Å; L367-M748 HydrophobicContact CD1-SD 3.46Å; L367-M748 WeakPolarHBondContact CD1-SD 3.41Å; I730-M748 HydrophobicContact CD1-CB 4.35Å; I730-M748 HydrophobicContact CD1-SD 4.45Å; G731-M748 PolarHBondContact O-N 2.89Å; V732-M748 WeakPolarHBondContact CA-O 3.39Å; V732-M748 HydrophobicContact CB-CE 4.21Å; V732-M748 HydrophobicContact CG1-CE 3.56Å; V732-M748 HydrophobicContact CG2-CB 4.39Å; V732-M748 HydrophobicContact CG2-CE 3.6Å; A733-M748 PolarHBondContact N-O 3.3Å; M748-L750 HydrophobicContact CE-CD2 3.94Å; M748-I758 HydrophobicContact CE-CD1 4.08Å
749	I	91.7	Very high	87.6	Confident	6 Å²	6	27.4 Å²	27.4	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.3	-178.3	-55.2	178.1	0	0	0	109.8	M158 L357 K359 A733 K743 L751	M158-I749 HydrophobicContact CE-CD1 3.64Å; L357-I749 HydrophobicContact CB-CB 4.45Å; L357-I749 PolarHBondContact N-O 3.22Å; L357-I749 PolarHBondContact O-N 2.97Å; K359-I749 HydrophobicContact CD-CD1 4.11Å; K359-I749 HydrophobicContact CD-CG1 4.44Å; A733-I749 WeakPolarHBondContact O-CA 3.45Å; K743-I749 HydrophobicContact CB-CD1 4.2Å; I749-L751 HydrophobicContact CG2-CD2 4.04Å; I749-L751 PolarHBondContact O-N 3.45Å
750	L	94	Very high	88.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	96.5	173.8	-54.9	-174.3	0	0	0	109.6	C356 V732 A733 M734 G735 M748 D752 D753 I758	C356-L750 HydrophobicContact CB-CD2 4.35Å; V732-L750 HydrophobicContact CG1-CD1 4.02Å; V732-L750 HydrophobicContact CG1-CD2 4.09Å; V732-L750 HydrophobicContact CG1-CG 3.74Å; A733-L750 PolarHBondContact O-N 2.96Å; M734-L750 HydrophobicContact SD-CD1 4.16Å; G735-L750 WeakPolarHBondContact CA-O 3.46Å; G735-L750 PolarHBondContact N-O 3.37Å; M748-L750 HydrophobicContact CE-CD2 3.94Å; L750-D752 PolarHBondContact O-N 3.47Å; L750-D753 PolarHBondContact O-N 3.41Å; L750-I758 HydrophobicContact CD1-CD1 4.19Å; L750-I758 HydrophobicContact CD1-CG1 4.37Å
751	L	89.4	Confident	89.4	Confident	71 Å²	71	23.3 Å²	23.3	37%	0.372	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.3	-171.5	-61.2	176.6	0	0	0	113.8	N355 L357 I749	N355-L751 HydrophobicContact CB-CB 4.21Å; N355-L751 WeakPolarHBondContact O-CB 3.47Å; N355-L751 PolarHBondContact O-N 2.77Å; L357-L751 HydrophobicContact CB-CD1 4.14Å; L357-L751 HydrophobicContact CB-CD2 4.34Å; L357-L751 HydrophobicContact CB-CG 4.12Å; L357-L751 HydrophobicContact CD2-CD2 4.35Å; I749-L751 HydrophobicContact CG2-CD2 4.04Å; I749-L751 PolarHBondContact O-N 3.45Å
752	D	89.9	Confident	90.3	Very high	56 Å²	56	21.2 Å²	21.2	30%	0.299	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	7.6	-179.5	61.6	-1.4	0	0	0	113.7	N355 L750 N754	N355-D752 HydrophobicContact CB-CB 3.96Å; N355-D752 WeakPolarHBondContact CB-OD2 3.5Å; N355-D752 PolarHBondContact ND2-OD2 3.02Å; L750-D752 PolarHBondContact O-N 3.47Å; D752-N754 PolarHBondContact O-N 3.3Å; D752-N754 VanDerWaalsContact O-N 3.09Å; D752-N754 VanDerWaalsContact OD1-CB 3.32Å; D752-N754 WeakPolarHBondContact OD1-CB 3.31Å; D752-N754 PolarHBondContact OD1-N 3.3Å; D752-N754 VanDerWaalsContact OD1-N 3.15Å
753	D	91	Very high	91	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.053	13%	0.134	C	C	.	.			trans	54.9	21.6	-175.5	-74.8	12.2	0	0	0	114.1	R596 M734 G735 I736 A737 L750 F755	R596-D753 IonicContact CZ-OD2 2.73Å; R596-D753 IonicContact NH1-OD2 3.49Å; R596-D753 IonicContact NH2-OD2 3.66Å; R596-D753 PolarHBondContact NH2-OD2 3.49Å; R596-D753 VanDerWaalsContact NH2-OD2 3.08Å; M734-D753 HydrophobicContact CE-CB 3.59Å; M734-D753 VanDerWaalsContact CE-O 3.26Å; M734-D753 WeakPolarHBondContact CE-O 3.4Å; G735-D753 PolarHBondContact N-OD1 3.47Å; I736-D753 PolarHBondContact N-OD1 3.23Å; A737-D753 VanDerWaalsContact CB-OD2 3.25Å; A737-D753 WeakPolarHBondContact CB-OD2 3.34Å; A737-D753 PolarHBondContact N-OD2 3.13Å; L750-D753 PolarHBondContact O-N 3.41Å; D753-F755 PolarHBondContact O-N 2.94Å
754	N	90.5	Very high	91.7	Very high	60 Å²	60	24.2 Å²	24.2	32%	0.321	13%	0.131	S	C	.	.			trans	-87	107.7	-179.5	-175	0.9	0	0	0	111.4	D752 A756 S757	D752-N754 PolarHBondContact O-N 3.3Å; D752-N754 VanDerWaalsContact O-N 3.09Å; D752-N754 VanDerWaalsContact OD1-CB 3.32Å; D752-N754 WeakPolarHBondContact OD1-CB 3.31Å; D752-N754 PolarHBondContact OD1-N 3.3Å; D752-N754 VanDerWaalsContact OD1-N 3.15Å; N754-A756 PolarHBondContact O-N 2.92Å; N754-A756 VanDerWaalsContact O-N 3.15Å; N754-A756 VanDerWaalsContact OD1-CB 3.31Å; N754-A756 WeakPolarHBondContact OD1-CB 3.39Å; N754-A756 PolarHBondContact OD1-N 3.33Å; N754-S757 WeakPolarHBondContact O-CB 3.47Å; N754-S757 PolarHBondContact O-N 3.29Å; N754-S757 PolarHBondContact O-OG 3.08Å
755	F	89.3	Confident	92.5	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.018	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.9	179.2	-160.6	-91.4	0	0	0	113.6	T380 L381 V599 A602 V603 T715 D753 S757 I758	T380-F755 HydrophobicContact CG2-CD2 4.36Å; T380-F755 HydrophobicContact CG2-CE2 4.07Å; L381-F755 HydrophobicContact CD2-CD2 4.4Å; L381-F755 HydrophobicContact CD2-CE1 4.33Å; L381-F755 HydrophobicContact CD2-CE2 3.89Å; L381-F755 HydrophobicContact CD2-CZ 3.85Å; V599-F755 HydrophobicContact CG2-CB 3.44Å; V599-F755 VanDerWaalsContact CG2-CB 3.44Å; V599-F755 HydrophobicContact CG2-CD1 4.19Å; V599-F755 HydrophobicContact CG2-CD2 4.38Å; V599-F755 HydrophobicContact CG2-CG 3.77Å; A602-F755 HydrophobicContact CB-CD1 3.76Å; A602-F755 HydrophobicContact CB-CE1 4.42Å; V603-F755 HydrophobicContact CG2-CE1 4.21Å; T715-F755 HydrophobicContact CG2-CE2 4.12Å; D753-F755 PolarHBondContact O-N 2.94Å; F755-S757 PolarHBondContact O-N 3.42Å; F755-S757 VanDerWaalsContact O-N 3.13Å; F755-I758 HydrophobicContact CD2-CG1 4.5Å; F755-I758 HydrophobicContact CE1-CG1 4.48Å; F755-I758 HydrophobicContact CE2-CG1 4.45Å; F755-I758 HydrophobicContact CZ-CG1 4.44Å; F755-I758 WeakPolarHBondContact O-CB 3.29Å; F755-I758 WeakPolarHBondContact O-CG1 3.34Å; F755-I758 PolarHBondContact O-N 3.33Å
756	A	92.4	Very high	93.2	Very high	25 Å²	25	20.1 Å²	20.1	21%	0.207	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-18	174.7	0	0	0	0	0	113.3	A598 A602 N754 I758 V759 T760	A598-A756 HydrophobicContact CB-CB 4.08Å; A602-A756 HydrophobicContact CB-CB 4.49Å; N754-A756 PolarHBondContact O-N 2.92Å; N754-A756 VanDerWaalsContact O-N 3.15Å; N754-A756 VanDerWaalsContact OD1-CB 3.31Å; N754-A756 WeakPolarHBondContact OD1-CB 3.39Å; N754-A756 PolarHBondContact OD1-N 3.33Å; A756-I758 PolarHBondContact O-N 3.16Å; A756-V759 WeakPolarHBondContact O-CB 3.42Å; A756-V759 PolarHBondContact O-N 3.27Å; A756-V759 VanDerWaalsContact O-N 3.15Å; A756-T760 PolarHBondContact O-N 3.43Å; A756-T760 PolarHBondContact O-OG1 2.62Å
757	S	94.1	Very high	93.6	Very high	7 Å²	7	20.8 Å²	20.8	5%	0.049	11%	0.113	C	C	.	.	H	α-helix	trans	-62.1	-24.7	171.9	-64.5	0	0	0	0	112.5	N754 F755 T760 G761	N754-S757 WeakPolarHBondContact O-CB 3.47Å; N754-S757 PolarHBondContact O-N 3.29Å; N754-S757 PolarHBondContact O-OG 3.08Å; F755-S757 PolarHBondContact O-N 3.42Å; F755-S757 VanDerWaalsContact O-N 3.13Å; S757-T760 PolarHBondContact O-N 2.89Å; S757-G761 PolarHBondContact O-N 2.71Å
758	I	95.1	Very high	93.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-47.4	171.9	-60	-61.6	0	0	0	110.8	I373 T715 V732 M748 L750 F755 A756 T760 G761 V762	I373-I758 HydrophobicContact CD1-CG2 3.99Å; T715-I758 HydrophobicContact CG2-CD1 3.75Å; T715-I758 HydrophobicContact CG2-CG1 4.21Å; V732-I758 HydrophobicContact CB-CD1 4.14Å; V732-I758 HydrophobicContact CG1-CD1 3.7Å; V732-I758 HydrophobicContact CG2-CD1 3.98Å; M748-I758 HydrophobicContact CE-CD1 4.08Å; L750-I758 HydrophobicContact CD1-CD1 4.19Å; L750-I758 HydrophobicContact CD1-CG1 4.37Å; F755-I758 HydrophobicContact CD2-CG1 4.5Å; F755-I758 HydrophobicContact CE1-CG1 4.48Å; F755-I758 HydrophobicContact CE2-CG1 4.45Å; F755-I758 HydrophobicContact CZ-CG1 4.44Å; F755-I758 WeakPolarHBondContact O-CB 3.29Å; F755-I758 WeakPolarHBondContact O-CG1 3.34Å; F755-I758 PolarHBondContact O-N 3.33Å; A756-I758 PolarHBondContact O-N 3.16Å; I758-T760 VanDerWaalsContact C-N 3.27Å; I758-T760 PolarHBondContact O-N 2.88Å; I758-G761 WeakPolarHBondContact O-CA 3.46Å; I758-G761 PolarHBondContact O-N 2.78Å; I758-G761 VanDerWaalsContact O-N 3.07Å; I758-V762 HydrophobicContact CG2-CG2 4.46Å; I758-V762 WeakPolarHBondContact O-CG2 3.48Å; I758-V762 PolarHBondContact O-N 3.18Å
759	V	96.6	Very high	94.2	Very high	14 Å²	14	19.9 Å²	19.9	9%	0.085	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-44	177.9	-177.6	0	0	0	0	110.3	A602 K605 A756 G761 V762 E763 M832	A602-V759 HydrophobicContact CB-CG2 3.81Å; K605-V759 HydrophobicContact CB-CG1 3.89Å; K605-V759 HydrophobicContact CB-CG2 3.99Å; K605-V759 HydrophobicContact CD-CG1 3.97Å; A756-V759 WeakPolarHBondContact O-CB 3.42Å; A756-V759 PolarHBondContact O-N 3.27Å; A756-V759 VanDerWaalsContact O-N 3.15Å; V759-G761 VanDerWaalsContact C-N 3.33Å; V759-G761 PolarHBondContact O-N 2.73Å; V759-V762 PolarHBondContact O-N 2.92Å; V759-E763 PolarHBondContact O-N 3.2Å; V759-M832 HydrophobicContact CG1-CE 3.65Å
760	T	94.6	Very high	94.5	Very high	34 Å²	34	20.6 Å²	20.6	21%	0.209	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-41.1	175.5	-57.2	0	0	0	0	111.6	K354 A756 S757 I758 E763 E764	K354-T760 HydrophobicContact CD-CG2 3.59Å; A756-T760 PolarHBondContact O-N 3.43Å; A756-T760 PolarHBondContact O-OG1 2.62Å; S757-T760 PolarHBondContact O-N 2.89Å; I758-T760 VanDerWaalsContact C-N 3.27Å; I758-T760 PolarHBondContact O-N 2.88Å; T760-E763 PolarHBondContact O-N 3.4Å; T760-E764 HydrophobicContact CG2-CG 4.22Å; T760-E764 WeakPolarHBondContact O-CB 3.49Å; T760-E764 VanDerWaalsContact O-CG 3.25Å; T760-E764 WeakPolarHBondContact O-CG 3.4Å; T760-E764 PolarHBondContact O-N 2.68Å
761	G	94.8	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-41.5	176.8	0	0	0	0	0	112.8	S757 I758 V759 E763 G765	S757-G761 PolarHBondContact O-N 2.71Å; I758-G761 WeakPolarHBondContact O-CA 3.46Å; I758-G761 PolarHBondContact O-N 2.78Å; I758-G761 VanDerWaalsContact O-N 3.07Å; V759-G761 VanDerWaalsContact C-N 3.33Å; V759-G761 PolarHBondContact O-N 2.73Å; G761-E763 VanDerWaalsContact C-N 3.35Å; G761-G765 PolarHBondContact O-N 3.4Å
762	V	97	Very high	95	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-44.7	173.6	173.8	0	0	0	0	110.6	L367 G368 I611 I758 V759 R766 M832	L367-V762 HydrophobicContact CB-CG2 4.47Å; L367-V762 WeakPolarHBondContact O-CG2 3.47Å; G368-V762 WeakPolarHBondContact CA-O 3.25Å; I611-V762 HydrophobicContact CD1-CG1 3.9Å; I611-V762 HydrophobicContact CD1-CG2 3.82Å; I758-V762 HydrophobicContact CG2-CG2 4.46Å; I758-V762 WeakPolarHBondContact O-CG2 3.48Å; I758-V762 PolarHBondContact O-N 3.18Å; V759-V762 PolarHBondContact O-N 2.92Å; V762-R766 WeakPolarHBondContact O-CB 3.29Å; V762-R766 VanDerWaalsContact O-CG 3.28Å; V762-R766 WeakPolarHBondContact O-CG 3.34Å; V762-R766 PolarHBondContact O-N 3.17Å; V762-M832 HydrophobicContact CB-CE 4.37Å; V762-M832 HydrophobicContact CG1-CE 4.08Å; V762-M832 HydrophobicContact CG1-SD 4.07Å
763	E	97	Very high	95.3	Very high	82 Å²	82	15.1 Å²	15.1	38%	0.383	8%	0.082	S	C	.	.	H	α-helix	trans	-62	-52.6	178.1	-172.4	-176.5	175	0	0	111.7	V759 T760 G761 G765 R766 L767 I831 M832	V759-E763 PolarHBondContact O-N 3.2Å; T760-E763 PolarHBondContact O-N 3.4Å; G761-E763 VanDerWaalsContact C-N 3.35Å; E763-G765 VanDerWaalsContact C-N 3.33Å; E763-G765 PolarHBondContact O-N 2.75Å; E763-R766 PolarHBondContact O-N 3Å; E763-L767 WeakPolarHBondContact O-CB 3.41Å; E763-L767 PolarHBondContact O-N 3.41Å; E763-I831 HydrophobicContact CG-CD1 3.82Å; E763-I831 HydrophobicContact CG-CG1 4.17Å; E763-I831 VanDerWaalsContact O-CD1 3.29Å; E763-I831 WeakPolarHBondContact O-CD1 3.25Å; E763-M832 HydrophobicContact CB-CG 4.23Å; E763-M832 HydrophobicContact CB-SD 3.75Å; E763-M832 HydrophobicContact CG-CG 4.18Å; E763-M832 HydrophobicContact CG-SD 4.27Å
764	E	96.3	Very high	95.7	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-36	-179.7	-63.3	-79.7	-174.7	0	0	111.5	T347 R350 M351 K354 T760 L767 I768	T347-E764 HydrophobicContact CG2-CB 4.06Å; R350-E764 WeakPolarHBondContact CD-OE1 3.46Å; R350-E764 VanDerWaalsContact CD-OE2 3.29Å; R350-E764 WeakPolarHBondContact CD-OE2 3.26Å; R350-E764 IonicContact CZ-OE2 3.54Å; R350-E764 IonicContact NE-OE2 2.93Å; R350-E764 IonicContact NH1-OE2 2.75Å; R350-E764 PolarHBondContact NH1-OE2 3.49Å; M351-E764 HydrophobicContact CG-CB 4.37Å; M351-E764 HydrophobicContact CG-CG 4.3Å; M351-E764 HydrophobicContact SD-CB 4.26Å; K354-E764 IonicContact NZ-OE1 3.66Å; K354-E764 PolarHBondContact NZ-OE1 3.13Å; T760-E764 HydrophobicContact CG2-CG 4.22Å; T760-E764 WeakPolarHBondContact O-CB 3.49Å; T760-E764 VanDerWaalsContact O-CG 3.25Å; T760-E764 WeakPolarHBondContact O-CG 3.4Å; T760-E764 PolarHBondContact O-N 2.68Å; E764-L767 PolarHBondContact O-N 3.19Å; E764-I768 WeakPolarHBondContact O-CG2 3.26Å; E764-I768 PolarHBondContact O-N 3.41Å
765	G	96.3	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.5	-44.8	174.6	0	0	0	0	0	112.5	V364 G761 E763 L767 I768 F769	V364-G765 VanDerWaalsContact O-CA 3.28Å; V364-G765 WeakPolarHBondContact O-CA 3.43Å; G761-G765 PolarHBondContact O-N 3.4Å; E763-G765 VanDerWaalsContact C-N 3.33Å; E763-G765 PolarHBondContact O-N 2.75Å; G765-L767 VanDerWaalsContact C-N 3.34Å; G765-I768 VanDerWaalsContact O-CG2 3.27Å; G765-I768 WeakPolarHBondContact O-CG2 3.47Å; G765-F769 PolarHBondContact O-N 2.86Å; G765-F769 VanDerWaalsContact O-N 3.13Å
766	R	97.6	Very high	96.3	Very high	6 Å²	6	12 Å²	12	2%	0.023	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-39.7	174.6	-78.1	174	-175.3	-160	2.3	111.7	G368 A609 V762 E763 D770 I831 R834	G368-R766 VanDerWaalsContact O-CG 3.25Å; G368-R766 WeakPolarHBondContact O-CG 3.31Å; G368-R766 PolarHBondContact O-NE 3.06Å; A609-R766 PolarHBondContact O-NH2 3.46Å; V762-R766 WeakPolarHBondContact O-CB 3.29Å; V762-R766 VanDerWaalsContact O-CG 3.28Å; V762-R766 WeakPolarHBondContact O-CG 3.34Å; V762-R766 PolarHBondContact O-N 3.17Å; E763-R766 PolarHBondContact O-N 3Å; R766-D770 PolarHBondContact O-N 3.37Å; R766-I831 HydrophobicContact CB-CB 4.48Å; R766-I831 HydrophobicContact CB-CD1 4.03Å; R766-I831 WeakPolarHBondContact CD-O 3.27Å; R766-I831 PolarHBondContact NH1-O 3.39Å; R766-R834 PolarHBondContact NH1-O 3.11Å; R766-R834 PolarHBondContact O-NH2 3.42Å
767	L	97.5	Very high	96.6	Very high	17 Å²	17	10.9 Å²	10.9	9%	0.089	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-48.3	179.1	-179.9	63.1	0	0	0	111.4	E763 E764 G765 F769 D770 N771 A827 I831	E763-L767 WeakPolarHBondContact O-CB 3.41Å; E763-L767 PolarHBondContact O-N 3.41Å; E764-L767 PolarHBondContact O-N 3.19Å; G765-L767 VanDerWaalsContact C-N 3.34Å; L767-F769 VanDerWaalsContact C-N 3.3Å; L767-F769 PolarHBondContact O-N 2.9Å; L767-D770 PolarHBondContact O-N 3.47Å; L767-N771 WeakPolarHBondContact O-CB 3.07Å; L767-N771 VanDerWaalsContact O-CG 3.32Å; L767-N771 PolarHBondContact O-N 3.02Å; L767-A827 HydrophobicContact CD1-CB 4.2Å; L767-I831 HydrophobicContact CB-CD1 3.96Å
768	I	96.6	Very high	96.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-65.8	-35.2	-179.5	-167.7	55.1	0	0	0	111.4	C343 L344 T347 V364 E365 E764 G765 D770 N771 L772 A823	C343-I768 HydrophobicContact CB-CD1 4.19Å; L344-I768 HydrophobicContact CD2-CG1 4.16Å; T347-I768 HydrophobicContact CG2-CB 4.3Å; T347-I768 WeakPolarHBondContact OG1-CD1 3.45Å; V364-I768 HydrophobicContact CG1-CG2 4.34Å; E365-I768 HydrophobicContact CB-CG2 4.23Å; E764-I768 WeakPolarHBondContact O-CG2 3.26Å; E764-I768 PolarHBondContact O-N 3.41Å; G765-I768 VanDerWaalsContact O-CG2 3.27Å; G765-I768 WeakPolarHBondContact O-CG2 3.47Å; I768-D770 PolarHBondContact O-N 2.82Å; I768-N771 PolarHBondContact O-N 3.49Å; I768-L772 HydrophobicContact CD1-CG 4.17Å; I768-L772 HydrophobicContact CG1-CD1 4.15Å; I768-L772 HydrophobicContact CG1-CG 4.11Å; I768-L772 VanDerWaalsContact O-CB 3.31Å; I768-L772 WeakPolarHBondContact O-CB 3.47Å; I768-L772 VanDerWaalsContact O-CG 3.23Å; I768-L772 WeakPolarHBondContact O-CG 3.48Å; I768-L772 PolarHBondContact O-N 2.89Å; I768-A823 HydrophobicContact CD1-CB 4.27Å
769	F	97.1	Very high	96.8	Very high	11 Å²	11	10.6 Å²	10.6	5%	0.048	5%	0.054	C	C	.	.	H	α-helix	trans	-59.4	-48.7	174.5	-175.4	-95.5	0	0	0	111.9	E287 E365 G765 L767 N771 L772 K773 L844	E287-F769 HydrophobicContact CG-CE2 4.43Å; E365-F769 HydrophobicContact CG-CB 4.25Å; E365-F769 HydrophobicContact CG-CD2 4.12Å; E365-F769 VanDerWaalsContact OE1-CD2 3.3Å; E365-F769 WeakPolarHBondContact OE1-CD2 3.43Å; G765-F769 PolarHBondContact O-N 2.86Å; G765-F769 VanDerWaalsContact O-N 3.13Å; L767-F769 VanDerWaalsContact C-N 3.3Å; L767-F769 PolarHBondContact O-N 2.9Å; F769-N771 VanDerWaalsContact C-N 3.34Å; F769-N771 PolarHBondContact O-N 2.88Å; F769-L772 PolarHBondContact O-N 3.25Å; F769-K773 HydrophobicContact CE1-CD 4.47Å; F769-K773 PolarHBondContact O-N 3.5Å; F769-L844 HydrophobicContact CD2-CD1 4.05Å; F769-L844 HydrophobicContact CE2-CB 4.01Å; F769-L844 HydrophobicContact CE2-CD1 3.88Å; F769-L844 HydrophobicContact CZ-CB 4.22Å; F769-L844 HydrophobicContact CZ-CD1 4.28Å
770	D	97.3	Very high	96.8	Very high	20 Å²	20	10 Å²	10	11%	0.107	5%	0.05	C	C	.	.	H	α-helix	trans	-66.1	-36.7	177.6	-74.8	-32.1	0	0	0	112.4	R766 L767 I768 K773 K774 R834 R940	R766-D770 PolarHBondContact O-N 3.37Å; L767-D770 PolarHBondContact O-N 3.47Å; I768-D770 PolarHBondContact O-N 2.82Å; D770-K773 WeakPolarHBondContact O-CB 3.46Å; D770-K773 PolarHBondContact O-N 3.26Å; D770-K774 WeakPolarHBondContact O-CG 3.31Å; D770-K774 PolarHBondContact O-N 2.74Å; D770-R834 IonicContact OD1-NH1 3.82Å; D770-R834 IonicContact OD1-NH2 3.12Å; D770-R834 IonicContact OD2-CZ 2.67Å; D770-R834 IonicContact OD2-NH1 3.84Å; D770-R834 PolarHBondContact OD2-NH1 3.09Å; D770-R834 IonicContact OD2-NH2 2.82Å; D770-R834 PolarHBondContact OD2-NH2 3.06Å; D770-R940 VanDerWaalsContact CG-NH1 3.28Å; D770-R940 IonicContact OD1-CZ 3.78Å; D770-R940 IonicContact OD1-NH1 3.46Å; D770-R940 PolarHBondContact OD1-NH1 3.21Å
771	N	97.7	Very high	96.9	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.016	4%	0.041	C	C	.	.	H	α-helix	trans	-73.7	-32.1	178.4	-71.8	-8.8	0	0	0	112.6	L767 I768 F769 K773 K774 S775 A823 E825	L767-N771 WeakPolarHBondContact O-CB 3.07Å; L767-N771 VanDerWaalsContact O-CG 3.32Å; L767-N771 PolarHBondContact O-N 3.02Å; I768-N771 PolarHBondContact O-N 3.49Å; F769-N771 VanDerWaalsContact C-N 3.34Å; F769-N771 PolarHBondContact O-N 2.88Å; N771-K773 VanDerWaalsContact C-N 3.33Å; N771-K774 WeakPolarHBondContact O-CB 3.27Å; N771-K774 PolarHBondContact O-N 2.87Å; N771-S775 WeakPolarHBondContact O-CB 3.39Å; N771-S775 PolarHBondContact O-N 3.24Å; N771-A823 PolarHBondContact ND2-O 3.43Å; N771-E825 PolarHBondContact ND2-O 3.4Å
772	L	96.3	Very high	97.1	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-64	-39.5	172.3	-77.8	173.9	0	0	0	110.7	I284 V340 C343 L344 I768 F769 K774 S775 I776 L844	I284-L772 HydrophobicContact CD1-CD1 4.05Å; V340-L772 HydrophobicContact CB-CD2 4.33Å; V340-L772 HydrophobicContact CG1-CD2 4.08Å; V340-L772 HydrophobicContact CG2-CD2 4.17Å; C343-L772 HydrophobicContact CB-CD2 3.84Å; L344-L772 HydrophobicContact CD2-CD1 4.24Å; I768-L772 HydrophobicContact CD1-CG 4.17Å; I768-L772 HydrophobicContact CG1-CD1 4.15Å; I768-L772 HydrophobicContact CG1-CG 4.11Å; I768-L772 VanDerWaalsContact O-CB 3.31Å; I768-L772 WeakPolarHBondContact O-CB 3.47Å; I768-L772 VanDerWaalsContact O-CG 3.23Å; I768-L772 WeakPolarHBondContact O-CG 3.48Å; I768-L772 PolarHBondContact O-N 2.89Å; F769-L772 PolarHBondContact O-N 3.25Å; L772-K774 VanDerWaalsContact C-N 3.27Å; L772-K774 PolarHBondContact O-N 2.87Å; L772-S775 PolarHBondContact O-N 2.99Å; L772-I776 HydrophobicContact CB-CD1 4.47Å; L772-I776 VanDerWaalsContact O-CB 3.31Å; L772-I776 WeakPolarHBondContact O-CB 3.34Å; L772-I776 WeakPolarHBondContact O-CD1 3.45Å; L772-I776 WeakPolarHBondContact O-CG1 3.3Å; L772-I776 PolarHBondContact O-N 2.86Å; L772-L844 HydrophobicContact CB-CD1 3.97Å
773	K	97.3	Very high	97	Very high	10 Å²	10	8.5 Å²	8.5	4%	0.043	4%	0.041	C	C	.	.	H	α-helix	trans	-55.8	-43	171.6	-67.3	-166.8	166.2	-164.8	0	112.5	F769 D770 N771 A777 K843 L844 Y1023	F769-K773 HydrophobicContact CE1-CD 4.47Å; F769-K773 PolarHBondContact O-N 3.5Å; D770-K773 WeakPolarHBondContact O-CB 3.46Å; D770-K773 PolarHBondContact O-N 3.26Å; N771-K773 VanDerWaalsContact C-N 3.33Å; K773-A777 WeakPolarHBondContact O-CB 3.4Å; K773-A777 PolarHBondContact O-N 3.25Å; K773-K843 WeakPolarHBondContact CE-O 3.46Å; K773-K843 PolarHBondContact NZ-O 3.42Å; K773-L844 VanDerWaalsContact CE-O 3.25Å; K773-L844 WeakPolarHBondContact CE-O 3.24Å; K773-L844 HydrophobicContact CG-CD1 3.82Å; K773-L844 WeakPolarHBondContact CG-O 3.27Å; K773-Y1023 PolarHBondContact NZ-OXT 2.98Å
774	K	97.8	Very high	97	Very high	3 Å²	3	5.3 Å²	5.3	1%	0.013	3%	0.027	C	C	.	.	H	α-helix	trans	-65.8	-47.4	179.3	-62.2	173	-178.4	-175.5	0	111.4	D770 N771 L772 A777 Y778 L822 E828 C937 K938 R940	D770-K774 WeakPolarHBondContact O-CG 3.31Å; D770-K774 PolarHBondContact O-N 2.74Å; N771-K774 WeakPolarHBondContact O-CB 3.27Å; N771-K774 PolarHBondContact O-N 2.87Å; L772-K774 VanDerWaalsContact C-N 3.27Å; L772-K774 PolarHBondContact O-N 2.87Å; K774-A777 PolarHBondContact O-N 2.93Å; K774-Y778 WeakPolarHBondContact O-CB 3.25Å; K774-Y778 PolarHBondContact O-N 3.03Å; K774-L822 HydrophobicContact CB-CD1 4.48Å; K774-E828 WeakPolarHBondContact CE-OE1 3.32Å; K774-E828 IonicContact NZ-OE1 2.67Å; K774-E828 PolarHBondContact NZ-OE1 3.3Å; K774-C937 WeakPolarHBondContact CB-O 3.49Å; K774-C937 VanDerWaalsContact CD-O 3.29Å; K774-C937 WeakPolarHBondContact CD-O 3.37Å; K774-C937 WeakPolarHBondContact CG-O 3.29Å; K774-K938 WeakPolarHBondContact CE-O 3.37Å; K774-K938 PolarHBondContact NZ-O 2.91Å; K774-R940 HydrophobicContact CG-CG 4.13Å
775	S	97.5	Very high	97	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.007	2%	0.024	C	C	.	.	H	α-helix	trans	-62.5	-43.4	178.9	-173.7	0	0	0	0	111.9	T339 N771 L772 T779 A819	T339-S775 WeakPolarHBondContact CG2-OG 3.38Å; N771-S775 WeakPolarHBondContact O-CB 3.39Å; N771-S775 PolarHBondContact O-N 3.24Å; L772-S775 PolarHBondContact O-N 2.99Å; S775-T779 PolarHBondContact O-N 2.97Å; S775-T779 VanDerWaalsContact O-N 3.14Å; S775-T779 PolarHBondContact O-OG1 3.27Å; S775-A819 PolarHBondContact OG-O 3.1Å
776	I	96.4	Very high	97	Very high	3 Å²	3	4.8 Å²	4.8	2%	0.015	2%	0.024	C	C	.	.	H	α-helix	trans	-65.9	-46.9	175.3	-67.2	161.7	0	0	0	110.7	F291 L336 L772 Y778 T779 L780 L844 V845	F291-I776 HydrophobicContact CE2-CG2 4.28Å; F291-I776 HydrophobicContact CZ-CG2 4.44Å; L336-I776 HydrophobicContact CD1-CB 4.44Å; L336-I776 HydrophobicContact CD1-CG1 3.9Å; L336-I776 HydrophobicContact CD2-CG1 4.34Å; L336-I776 HydrophobicContact CD2-CG2 4.26Å; L772-I776 HydrophobicContact CB-CD1 4.47Å; L772-I776 VanDerWaalsContact O-CB 3.31Å; L772-I776 WeakPolarHBondContact O-CB 3.34Å; L772-I776 WeakPolarHBondContact O-CD1 3.45Å; L772-I776 WeakPolarHBondContact O-CG1 3.3Å; L772-I776 PolarHBondContact O-N 2.86Å; I776-Y778 VanDerWaalsContact C-N 3.35Å; I776-Y778 PolarHBondContact O-N 2.88Å; I776-T779 PolarHBondContact O-N 3.05Å; I776-L780 HydrophobicContact CG2-CD1 3.54Å; I776-L780 HydrophobicContact CG2-CG 3.99Å; I776-L780 VanDerWaalsContact O-CB 3.31Å; I776-L780 WeakPolarHBondContact O-CB 3.22Å; I776-L780 VanDerWaalsContact O-CG 3.25Å; I776-L780 WeakPolarHBondContact O-CG 3.44Å; I776-L780 PolarHBondContact O-N 3.39Å; I776-L844 HydrophobicContact CD1-CD1 4.24Å; I776-L844 HydrophobicContact CD1-CD2 3.62Å; I776-L844 HydrophobicContact CD1-CG 3.82Å; I776-V845 HydrophobicContact CD1-CG2 4.3Å; I776-V845 HydrophobicContact CG2-CG2 3.8Å
777	A	97.6	Very high	96.9	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.017	2%	0.024	C	C	.	.	H	α-helix	trans	-57.8	-47.7	178.7	0	0	0	0	0	111.6	K773 K774 T779 L780 T781 L849 Y1023	K773-A777 WeakPolarHBondContact O-CB 3.4Å; K773-A777 PolarHBondContact O-N 3.25Å; K774-A777 PolarHBondContact O-N 2.93Å; A777-T779 PolarHBondContact O-N 3.23Å; A777-L780 PolarHBondContact O-N 3.1Å; A777-T781 PolarHBondContact O-N 3.36Å; A777-T781 PolarHBondContact O-OG1 2.95Å; A777-L849 HydrophobicContact CB-CD1 4.26Å; A777-L849 HydrophobicContact CB-CD2 4.07Å; A777-L849 HydrophobicContact CB-CG 4.07Å; A777-Y1023 HydrophobicContact CB-CE2 3.96Å
778	Y	98.1	Very high	96.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-55.6	-49.1	176.7	171.3	-100.3	0	0	0	112.6	K774 I776 L780 T781 D815 P818 A819 L822 Q930 D933 L934	K774-Y778 WeakPolarHBondContact O-CB 3.25Å; K774-Y778 PolarHBondContact O-N 3.03Å; I776-Y778 VanDerWaalsContact C-N 3.35Å; I776-Y778 PolarHBondContact O-N 2.88Å; Y778-L780 VanDerWaalsContact C-N 3.35Å; Y778-L780 PolarHBondContact O-N 3.38Å; Y778-T781 PolarHBondContact O-N 3.02Å; Y778-D815 HydrophobicContact CE1-CB 4.11Å; Y778-P818 HydrophobicContact CE1-CB 3.7Å; Y778-P818 WeakPolarHBondContact OH-CB 3.39Å; Y778-A819 HydrophobicContact CD1-CB 3.82Å; Y778-A819 HydrophobicContact CE1-CB 4.04Å; Y778-L822 HydrophobicContact CD1-CD1 4.43Å; Y778-L822 HydrophobicContact CG-CD1 4.08Å; Y778-Q930 HydrophobicContact CE2-CB 4.14Å; Y778-Q930 HydrophobicContact CE2-CG 4.42Å; Y778-D933 WeakPolarHBondContact CA-OD2 3.21Å; Y778-D933 HydrophobicContact CD2-CB 4.2Å; Y778-D933 VanDerWaalsContact CD2-OD2 3.31Å; Y778-D933 WeakPolarHBondContact CD2-OD2 3.42Å; Y778-D933 HydrophobicContact CE2-CB 4.37Å; Y778-L934 HydrophobicContact CD2-CB 4.16Å; Y778-L934 HydrophobicContact CD2-CD1 4.26Å; Y778-L934 HydrophobicContact CE2-CB 3.73Å; Y778-L934 HydrophobicContact CE2-CD1 4.15Å
779	T	96.4	Very high	96.7	Very high	4 Å²	4	4.9 Å²	4.9	3%	0.025	3%	0.026	C	C	.	.	H	α-helix	trans	-69.1	-34.3	-179.1	-44.1	0	0	0	0	111.7	P333 L336 S775 I776 A777 S782 N783	P333-T779 HydrophobicContact CB-CG2 4.2Å; L336-T779 HydrophobicContact CB-CG2 4.25Å; L336-T779 HydrophobicContact CD1-CG2 4.32Å; S775-T779 PolarHBondContact O-N 2.97Å; S775-T779 VanDerWaalsContact O-N 3.14Å; S775-T779 PolarHBondContact O-OG1 3.27Å; I776-T779 PolarHBondContact O-N 3.05Å; A777-T779 PolarHBondContact O-N 3.23Å; T779-S782 PolarHBondContact O-OG 3.11Å; T779-N783 PolarHBondContact O-OD1 3.14Å
780	L	95.8	Very high	96.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-74.4	-26.4	178.9	-75.1	-178.4	0	0	0	112.8	F291 I295 P333 I776 A777 Y778 S782 N783 L849 I850 A853 Y854	F291-L780 HydrophobicContact CE2-CD1 3.87Å; F291-L780 HydrophobicContact CE2-CD2 4.15Å; F291-L780 HydrophobicContact CE2-CG 4.47Å; F291-L780 HydrophobicContact CZ-CD2 4.27Å; I295-L780 HydrophobicContact CD1-CD1 4.24Å; I295-L780 HydrophobicContact CD1-CD2 3.75Å; I295-L780 HydrophobicContact CG1-CD2 4.35Å; P333-L780 HydrophobicContact CB-CD2 4.48Å; P333-L780 HydrophobicContact CG-CD2 4.07Å; I776-L780 HydrophobicContact CG2-CD1 3.54Å; I776-L780 HydrophobicContact CG2-CG 3.99Å; I776-L780 VanDerWaalsContact O-CB 3.31Å; I776-L780 WeakPolarHBondContact O-CB 3.22Å; I776-L780 VanDerWaalsContact O-CG 3.25Å; I776-L780 WeakPolarHBondContact O-CG 3.44Å; I776-L780 PolarHBondContact O-N 3.39Å; A777-L780 PolarHBondContact O-N 3.1Å; Y778-L780 VanDerWaalsContact C-N 3.35Å; Y778-L780 PolarHBondContact O-N 3.38Å; L780-S782 VanDerWaalsContact C-N 3.32Å; L780-S782 PolarHBondContact O-N 3.2Å; L780-N783 PolarHBondContact O-N 2.81Å; L780-L849 HydrophobicContact CD1-CD2 3.87Å; L780-I850 HydrophobicContact CD1-CD1 4.15Å; L780-A853 HydrophobicContact CB-CB 4.37Å; L780-Y854 HydrophobicContact CB-CD1 4.37Å; L780-Y854 HydrophobicContact CB-CE1 3.83Å; L780-Y854 HydrophobicContact CD2-CE1 4.15Å; L780-Y854 HydrophobicContact CG-CE1 4.46Å; L780-Y854 WeakPolarHBondContact O-CD1 3.44Å; L780-Y854 WeakPolarHBondContact O-CE1 3.49Å
781	T	97.8	Very high	96.2	Very high	3 Å²	3	5.2 Å²	5.2	2%	0.018	3%	0.028	C	C	.	.	H	α-helix	trans	-63.6	-38.7	-178.7	-60.4	0	0	0	0	111.7	A777 Y778 N783 I784 P785 A853 I857 G858 Q861 D933	A777-T781 PolarHBondContact O-N 3.36Å; A777-T781 PolarHBondContact O-OG1 2.95Å; Y778-T781 PolarHBondContact O-N 3.02Å; T781-N783 VanDerWaalsContact C-N 3.32Å; T781-N783 PolarHBondContact O-N 3.45Å; T781-I784 PolarHBondContact O-N 2.97Å; T781-P785 WeakPolarHBondContact O-CD 3.35Å; T781-A853 WeakPolarHBondContact OG1-CB 3.26Å; T781-I857 HydrophobicContact CG2-CB 3.72Å; T781-I857 HydrophobicContact CG2-CG2 3.54Å; T781-G858 WeakPolarHBondContact O-CA 3.25Å; T781-Q861 PolarHBondContact O-OE1 3.4Å; T781-D933 WeakPolarHBondContact CB-OD2 3.33Å
782	S	97	Very high	96.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.9	-20.6	-179.3	51.7	0	0	0	0	114	T779 L780 I784 P785 E786	T779-S782 PolarHBondContact O-OG 3.11Å; L780-S782 VanDerWaalsContact C-N 3.32Å; L780-S782 PolarHBondContact O-N 3.2Å; S782-I784 PolarHBondContact O-N 3.38Å; S782-I784 VanDerWaalsContact O-N 3.14Å; S782-P785 WeakPolarHBondContact O-CD 3.29Å; S782-P785 WeakPolarHBondContact O-CG 3.47Å; S782-E786 VanDerWaalsContact O-CG 3.25Å; S782-E786 WeakPolarHBondContact O-CG 3.42Å; S782-E786 PolarHBondContact O-N 3.47Å
783	N	95.8	Very high	95.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.7	-34	174.9	-66.4	45.9	0	0	0	112.4	N331 T779 L780 T781 E786 I787 Y854	N331-N783 PolarHBondContact O-ND2 2.95Å; N331-N783 VanDerWaalsContact O-ND2 3.1Å; T779-N783 PolarHBondContact O-OD1 3.14Å; L780-N783 PolarHBondContact O-N 2.81Å; T781-N783 VanDerWaalsContact C-N 3.32Å; T781-N783 PolarHBondContact O-N 3.45Å; N783-E786 WeakPolarHBondContact O-CB 3.19Å; N783-E786 PolarHBondContact O-N 3.26Å; N783-I787 HydrophobicContact CB-CD1 4.07Å; N783-I787 WeakPolarHBondContact O-CB 3.29Å; N783-I787 VanDerWaalsContact O-CD1 3.25Å; N783-I787 WeakPolarHBondContact O-CD1 3.39Å; N783-I787 WeakPolarHBondContact O-CG1 3.27Å; N783-I787 PolarHBondContact O-N 2.84Å; N783-Y854 HydrophobicContact CB-CE1 4.17Å; N783-Y854 PolarHBondContact ND2-OH 2.78Å
784	I	97.1	Very high	95.6	Very high	15 Å²	15	8.2 Å²	8.2	8%	0.077	4%	0.043	C	C	.	.	H	α-helix	trans	-65.7	-53.8	-178.9	-65.5	-57.2	0	0	0	113.3	T781 S782 E786 I787 T788 Y854 G858 M859 A862	T781-I784 PolarHBondContact O-N 2.97Å; S782-I784 PolarHBondContact O-N 3.38Å; S782-I784 VanDerWaalsContact O-N 3.14Å; I784-E786 PolarHBondContact O-N 2.88Å; I784-E786 VanDerWaalsContact O-N 3.13Å; I784-I787 PolarHBondContact O-N 2.93Å; I784-T788 HydrophobicContact CG2-CG2 3.95Å; I784-T788 WeakPolarHBondContact O-CB 3.41Å; I784-T788 VanDerWaalsContact O-CG2 3.31Å; I784-T788 WeakPolarHBondContact O-CG2 3.25Å; I784-T788 PolarHBondContact O-N 3.44Å; I784-T788 PolarHBondContact O-OG1 3.25Å; I784-Y854 HydrophobicContact CD1-CD1 4.4Å; I784-Y854 HydrophobicContact CD1-CD2 3.72Å; I784-Y854 HydrophobicContact CD1-CE2 4.32Å; I784-Y854 HydrophobicContact CD1-CG 3.75Å; I784-Y854 HydrophobicContact CG1-CD1 4.33Å; I784-Y854 HydrophobicContact CG1-CD2 4.5Å; I784-Y854 HydrophobicContact CG1-CG 4.07Å; I784-Y854 WeakPolarHBondContact CG1-O 3.48Å; I784-G858 VanDerWaalsContact CG2-C 3.41Å; I784-G858 VanDerWaalsContact CG2-O 3.24Å; I784-G858 WeakPolarHBondContact CG2-O 3.41Å; I784-M859 HydrophobicContact CB-CE 4.28Å; I784-M859 HydrophobicContact CD1-CE 4.08Å; I784-M859 HydrophobicContact CG1-CE 4.06Å; I784-M859 HydrophobicContact CG2-CE 3.26Å; I784-M859 HydrophobicContact CG2-SD 3.74Å; I784-A862 HydrophobicContact CG2-CB 4.12Å
785	P	97.3	Very high	95.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-13.1	174.4	25.2	-35.2	0	0	0	113	T781 S782 P789 Q861 A862 F922 I926	T781-P785 WeakPolarHBondContact O-CD 3.35Å; S782-P785 WeakPolarHBondContact O-CD 3.29Å; S782-P785 WeakPolarHBondContact O-CG 3.47Å; P785-P789 WeakPolarHBondContact O-CD 3.42Å; P785-P789 WeakPolarHBondContact O-CG 3.09Å; P785-Q861 HydrophobicContact CB-CB 4.14Å; P785-Q861 HydrophobicContact CG-CB 3.78Å; P785-A862 HydrophobicContact CB-CB 4.32Å; P785-F922 HydrophobicContact CB-CE1 4.17Å; P785-F922 WeakPolarHBondContact O-CE1 3.43Å; P785-I926 HydrophobicContact CB-CD1 4.02Å; P785-I926 HydrophobicContact CB-CG1 3.95Å; P785-I926 HydrophobicContact CG-CD1 4.26Å; P785-I926 HydrophobicContact CG-CG1 4.14Å
786	E	95.3	Very high	95.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-89	-40.3	173.8	-65.2	159.5	-162.5	0	0	113.3	A330 S782 N783 I784 P789 L802 I807 I810 I926	A330-E786 HydrophobicContact CB-CB 4.48Å; S782-E786 VanDerWaalsContact O-CG 3.25Å; S782-E786 WeakPolarHBondContact O-CG 3.42Å; S782-E786 PolarHBondContact O-N 3.47Å; N783-E786 WeakPolarHBondContact O-CB 3.19Å; N783-E786 PolarHBondContact O-N 3.26Å; I784-E786 PolarHBondContact O-N 2.88Å; I784-E786 VanDerWaalsContact O-N 3.13Å; E786-P789 WeakPolarHBondContact O-CD 3.36Å; E786-L802 HydrophobicContact CB-CD2 4.29Å; E786-L802 HydrophobicContact CG-CD2 4.1Å; E786-I807 HydrophobicContact CB-CD1 4.1Å; E786-I807 HydrophobicContact CB-CG1 4.04Å; E786-I807 HydrophobicContact CB-CG2 4.48Å; E786-I807 HydrophobicContact CG-CG1 4.11Å; E786-I807 HydrophobicContact CG-CG2 4.38Å; E786-I810 HydrophobicContact CG-CD1 4.23Å; E786-I810 WeakPolarHBondContact OE1-CG2 3.4Å; E786-I926 HydrophobicContact CG-CD1 4.18Å
787	I	94.5	Very high	95	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-73	-46.1	178.7	-64.7	157.3	0	0	0	110.9	A330 N331 N783 I784 F790 L791	A330-I787 HydrophobicContact CB-CB 4.39Å; A330-I787 HydrophobicContact CB-CG1 3.66Å; A330-I787 VanDerWaalsContact O-CG1 3.29Å; A330-I787 WeakPolarHBondContact O-CG1 3.18Å; N331-I787 HydrophobicContact CB-CD1 4.32Å; N331-I787 WeakPolarHBondContact ND2-CD1 3.43Å; N331-I787 VanDerWaalsContact OD1-CD1 3.25Å; N331-I787 WeakPolarHBondContact OD1-CD1 3.31Å; N783-I787 HydrophobicContact CB-CD1 4.07Å; N783-I787 WeakPolarHBondContact O-CB 3.29Å; N783-I787 VanDerWaalsContact O-CD1 3.25Å; N783-I787 WeakPolarHBondContact O-CD1 3.39Å; N783-I787 WeakPolarHBondContact O-CG1 3.27Å; N783-I787 PolarHBondContact O-N 2.84Å; I784-I787 PolarHBondContact O-N 2.93Å; I787-F790 PolarHBondContact O-N 3.3Å; I787-L791 HydrophobicContact CG2-CD1 3.94Å; I787-L791 HydrophobicContact CG2-CD2 4.05Å; I787-L791 HydrophobicContact CG2-CG 3.91Å; I787-L791 PolarHBondContact O-N 2.81Å
788	T	96.1	Very high	94.9	Very high	22 Å²	22	15.6 Å²	15.6	14%	0.135	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-35	-172.1	51.5	0	0	0	0	114.4	I784 F790 L791 I792 A862	I784-T788 HydrophobicContact CG2-CG2 3.95Å; I784-T788 WeakPolarHBondContact O-CB 3.41Å; I784-T788 VanDerWaalsContact O-CG2 3.31Å; I784-T788 WeakPolarHBondContact O-CG2 3.25Å; I784-T788 PolarHBondContact O-N 3.44Å; I784-T788 PolarHBondContact O-OG1 3.25Å; T788-F790 VanDerWaalsContact C-N 3.32Å; T788-F790 PolarHBondContact O-N 3.14Å; T788-L791 PolarHBondContact O-N 3.3Å; T788-L791 VanDerWaalsContact O-N 3.14Å; T788-I792 WeakPolarHBondContact O-CG1 3.25Å; T788-I792 PolarHBondContact O-N 3.45Å; T788-A862 HydrophobicContact CG2-CB 4.4Å; T788-A862 WeakPolarHBondContact OG1-CB 3.29Å
789	P	95.2	Very high	94.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-47.4	-48.8	166.9	-34.2	37.9	0	0	0	114.2	P785 E786 F793 P801 L802 F866 F922	P785-P789 WeakPolarHBondContact O-CD 3.42Å; P785-P789 WeakPolarHBondContact O-CG 3.09Å; E786-P789 WeakPolarHBondContact O-CD 3.36Å; P789-F793 WeakPolarHBondContact O-CB 3.37Å; P789-F793 PolarHBondContact O-N 3.27Å; P789-P801 HydrophobicContact CB-CB 4.04Å; P789-P801 HydrophobicContact CB-CG 4.16Å; P789-P801 HydrophobicContact CG-CB 4.47Å; P789-L802 HydrophobicContact CB-CB 3.76Å; P789-L802 HydrophobicContact CG-CB 3.68Å; P789-L802 HydrophobicContact CG-CD2 4.3Å; P789-F866 HydrophobicContact CG-CZ 4.45Å; P789-F922 HydrophobicContact CG-CE1 4.03Å; P789-F922 HydrophobicContact CG-CE2 4.08Å; P789-F922 HydrophobicContact CG-CZ 3.65Å
790	F	91.3	Very high	94.6	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.053	9%	0.09	C	C	.	.	H	α-helix	trans	-67.8	-38.6	178.6	-76.3	-91.8	0	0	0	111.8	I327 I787 T788 F793 I794 L800 I807	I327-F790 HydrophobicContact CG1-CB 4.31Å; I787-F790 PolarHBondContact O-N 3.3Å; T788-F790 VanDerWaalsContact C-N 3.32Å; T788-F790 PolarHBondContact O-N 3.14Å; F790-F793 WeakPolarHBondContact O-CB 3.48Å; F790-F793 PolarHBondContact O-N 2.83Å; F790-I794 WeakPolarHBondContact O-CD1 3.02Å; F790-I794 VanDerWaalsContact O-CG1 3.22Å; F790-I794 WeakPolarHBondContact O-CG1 3.36Å; F790-I794 PolarHBondContact O-N 3.3Å; F790-I794 VanDerWaalsContact O-N 3.1Å; F790-L800 HydrophobicContact CD1-CD1 4.35Å; F790-L800 HydrophobicContact CE1-CD1 4.25Å; F790-L800 HydrophobicContact CZ-CD1 4.42Å; F790-I807 HydrophobicContact CE2-CD1 3.79Å
791	L	93.1	Very high	94.6	Very high	27 Å²	27	16.6 Å²	16.6	14%	0.141	9%	0.09	C	C	.	.	H	α-helix	trans	-65	-45.4	179.3	-52.2	-172	0	0	0	111.6	F306 I327 I787 T788 I794 I795	F306-L791 HydrophobicContact CD1-CB 4.48Å; F306-L791 HydrophobicContact CD1-CD2 3.67Å; F306-L791 HydrophobicContact CD2-CD2 3.88Å; F306-L791 HydrophobicContact CE1-CB 3.72Å; F306-L791 HydrophobicContact CE1-CD1 4.41Å; F306-L791 HydrophobicContact CE1-CD2 3.58Å; F306-L791 HydrophobicContact CE1-CG 4.06Å; F306-L791 HydrophobicContact CE2-CD1 4.16Å; F306-L791 HydrophobicContact CE2-CD2 3.81Å; F306-L791 HydrophobicContact CE2-CG 4.47Å; F306-L791 HydrophobicContact CG-CD2 3.82Å; F306-L791 HydrophobicContact CZ-CB 3.96Å; F306-L791 HydrophobicContact CZ-CD1 3.85Å; F306-L791 HydrophobicContact CZ-CD2 3.66Å; F306-L791 HydrophobicContact CZ-CG 4Å; I327-L791 HydrophobicContact CD1-CD2 3.97Å; I327-L791 HydrophobicContact CG1-CD2 4.24Å; I787-L791 HydrophobicContact CG2-CD1 3.94Å; I787-L791 HydrophobicContact CG2-CD2 4.05Å; I787-L791 HydrophobicContact CG2-CG 3.91Å; I787-L791 PolarHBondContact O-N 2.81Å; T788-L791 PolarHBondContact O-N 3.3Å; T788-L791 VanDerWaalsContact O-N 3.14Å; L791-I794 PolarHBondContact O-N 3.15Å; L791-I795 WeakPolarHBondContact O-CG1 3.38Å; L791-I795 PolarHBondContact O-N 3.46Å
792	I	94.4	Very high	94.4	Very high	62 Å²	62	16.5 Å²	16.5	32%	0.318	9%	0.089	S	C	.	.	H	α-helix	trans	-72.3	-35.9	179.5	-58.1	-163.7	0	0	0	110.9	T788 I794 I795 A796 I798 F866	T788-I792 WeakPolarHBondContact O-CG1 3.25Å; T788-I792 PolarHBondContact O-N 3.45Å; I792-I794 VanDerWaalsContact C-N 3.27Å; I792-I794 PolarHBondContact O-N 2.94Å; I792-I795 PolarHBondContact O-N 2.82Å; I792-A796 HydrophobicContact CG2-CB 3.92Å; I792-A796 WeakPolarHBondContact O-CB 3.25Å; I792-A796 PolarHBondContact O-N 2.98Å; I792-I798 HydrophobicContact CB-CD1 4.49Å; I792-I798 HydrophobicContact CG2-CD1 3.57Å; I792-I798 HydrophobicContact CG2-CG1 4.18Å; I792-F866 HydrophobicContact CB-CE1 4.03Å; I792-F866 HydrophobicContact CB-CZ 3.85Å; I792-F866 HydrophobicContact CD1-CD1 4.37Å; I792-F866 HydrophobicContact CD1-CD2 4.21Å; I792-F866 HydrophobicContact CD1-CE1 3.75Å; I792-F866 HydrophobicContact CD1-CE2 3.6Å; I792-F866 HydrophobicContact CD1-CZ 3.34Å; I792-F866 HydrophobicContact CG1-CE1 4.23Å; I792-F866 HydrophobicContact CG1-CE2 4.27Å; I792-F866 HydrophobicContact CG1-CZ 3.69Å; I792-F866 HydrophobicContact CG2-CE1 4.22Å; I792-F866 HydrophobicContact CG2-CZ 4.5Å
793	F	92.9	Very high	94	Very high	14 Å²	14	16.9 Å²	16.9	6%	0.061	9%	0.094	C	C	.	.	H	α-helix	trans	-54.1	-43.1	171.5	173	-108.5	0	0	0	112.2	F323 P789 F790 N797 I798 L800 R887	F323-F793 HydrophobicContact CD1-CE1 4.22Å; F323-F793 HydrophobicContact CE1-CD1 4.26Å; F323-F793 AromaticContact CE1-CE1 3.57Å; F323-F793 HydrophobicContact CE1-CE1 3.57Å; F323-F793 HydrophobicContact CZ-CE1 4.17Å; P789-F793 WeakPolarHBondContact O-CB 3.37Å; P789-F793 PolarHBondContact O-N 3.27Å; F790-F793 WeakPolarHBondContact O-CB 3.48Å; F790-F793 PolarHBondContact O-N 2.83Å; F793-N797 WeakPolarHBondContact O-CA 3.31Å; F793-N797 PolarHBondContact O-N 3.05Å; F793-I798 WeakPolarHBondContact CD2-O 3.29Å; F793-L800 HydrophobicContact CB-CD1 4.06Å; F793-L800 HydrophobicContact CD1-CD1 4.1Å; F793-L800 HydrophobicContact CD2-CB 3.88Å; F793-L800 HydrophobicContact CD2-CD1 3.93Å; F793-L800 HydrophobicContact CE1-CD1 4.43Å; F793-L800 HydrophobicContact CE2-CB 3.81Å; F793-L800 HydrophobicContact CE2-CD1 4.33Å; F793-L800 HydrophobicContact CG-CD1 3.8Å; F793-L800 HydrophobicContact CZ-CB 4.44Å; F793-R887 HydrophobicContact CE2-CG 3.85Å; F793-R887 VanDerWaalsContact CE2-NE 3.32Å; F793-R887 HydrophobicContact CZ-CG 4.38Å
794	I	90.4	Very high	93.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-72.9	-47.7	178.3	-63.3	162.8	0	0	0	111.7	F306 L313 Y315 F323 I327 F790 L791 I792	F306-I794 HydrophobicContact CD1-CD1 4.27Å; L313-I794 HydrophobicContact CD1-CG2 4.29Å; Y315-I794 HydrophobicContact CE2-CG2 3.94Å; Y315-I794 PolarHBondContact OH-O 2.78Å; F323-I794 HydrophobicContact CB-CD1 3.79Å; F323-I794 HydrophobicContact CB-CG1 4.49Å; F323-I794 HydrophobicContact CD1-CG1 4.44Å; F323-I794 HydrophobicContact CD2-CD1 3.81Å; F323-I794 HydrophobicContact CD2-CG1 3.71Å; F323-I794 HydrophobicContact CE2-CG1 4.04Å; F323-I794 HydrophobicContact CG-CD1 3.8Å; F323-I794 HydrophobicContact CG-CG1 3.95Å; I327-I794 HydrophobicContact CD1-CD1 4.1Å; F790-I794 WeakPolarHBondContact O-CD1 3.02Å; F790-I794 VanDerWaalsContact O-CG1 3.22Å; F790-I794 WeakPolarHBondContact O-CG1 3.36Å; F790-I794 PolarHBondContact O-N 3.3Å; F790-I794 VanDerWaalsContact O-N 3.1Å; L791-I794 PolarHBondContact O-N 3.15Å; I792-I794 VanDerWaalsContact C-N 3.27Å; I792-I794 PolarHBondContact O-N 2.94Å
795	I	92.8	Very high	93.1	Very high	97 Å²	97	21 Å²	21	50%	0.497	12%	0.119	S	C	.	.	H	α-helix	trans	-74.3	-46.7	-172.5	-67.5	171	0	0	0	112	F306 L309 L791 I792	F306-I795 HydrophobicContact CE1-CD1 3.69Å; F306-I795 HydrophobicContact CE1-CG1 4.08Å; F306-I795 HydrophobicContact CZ-CD1 4.1Å; L309-I795 HydrophobicContact CD2-CD1 4.47Å; L309-I795 HydrophobicContact CD2-CG1 3.95Å; L791-I795 WeakPolarHBondContact O-CG1 3.38Å; L791-I795 PolarHBondContact O-N 3.46Å; I792-I795 PolarHBondContact O-N 2.82Å
796	A	93.3	Very high	92.8	Very high	26 Å²	26	21.2 Å²	21.2	22%	0.215	12%	0.12	C	C	.	.	H	α-helix	trans	-96.2	-4.8	-171.8	0	0	0	0	0	113.3	I792 I798 L884 G885	I792-A796 HydrophobicContact CG2-CB 3.92Å; I792-A796 WeakPolarHBondContact O-CB 3.25Å; I792-A796 PolarHBondContact O-N 2.98Å; A796-I798 HydrophobicContact CB-CG2 3.91Å; A796-I798 PolarHBondContact O-N 2.94Å; A796-L884 HydrophobicContact CB-CD2 3.96Å; A796-G885 PolarHBondContact O-N 3.43Å; A796-G885 VanDerWaalsContact O-N 3.16Å
797	N	93.1	Very high	92.6	Very high	39 Å²	39	21.2 Å²	21.2	21%	0.209	12%	0.12	C	C	.	.			trans	49.5	44.8	-177.3	-78	-78.1	0	0	0	112.1	Y315 F793 G885 L886 R887	Y315-N797 PolarHBondContact OH-OD1 3.48Å; F793-N797 WeakPolarHBondContact O-CA 3.31Å; F793-N797 PolarHBondContact O-N 3.05Å; N797-G885 CarbonylContact O-C 3.42Å; N797-G885 VanDerWaalsContact O-C 3.27Å; N797-G885 WeakPolarHBondContact O-CA 3.22Å; N797-G885 PolarHBondContact O-N 2.98Å; N797-G885 VanDerWaalsContact O-N 3.14Å; N797-L886 PolarHBondContact O-N 3.38Å; N797-R887 VanDerWaalsContact C-CB 3.42Å; N797-R887 HydrophobicContact CB-CB 4.27Å; N797-R887 WeakPolarHBondContact O-CB 3.1Å; N797-R887 PolarHBondContact O-N 2.88Å
798	I	95.5	Very high	92.3	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-94.4	162.4	174.7	62.3	169.1	0	0	0	110	I792 F793 A796 P801 Y869 L883 L884	I792-I798 HydrophobicContact CB-CD1 4.49Å; I792-I798 HydrophobicContact CG2-CD1 3.57Å; I792-I798 HydrophobicContact CG2-CG1 4.18Å; F793-I798 WeakPolarHBondContact CD2-O 3.29Å; A796-I798 HydrophobicContact CB-CG2 3.91Å; A796-I798 PolarHBondContact O-N 2.94Å; I798-P801 HydrophobicContact CD1-CG 4.1Å; I798-Y869 HydrophobicContact CD1-CE1 3.94Å; I798-L883 HydrophobicContact CG2-CB 4.07Å; I798-L883 WeakPolarHBondContact CG2-O 3.32Å; I798-L884 HydrophobicContact CG2-CD2 4.16Å
799	P	95.2	Very high	92.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-53.4	148.5	168.6	-27.2	35.5	0	0	0	112.6	P801 Y869 L883 W890	P799-P801 WeakPolarHBondContact O-CD 3.43Å; P799-Y869 WeakPolarHBondContact CD-OH 3.45Å; P799-Y869 PolarHBondContact O-OH 3.15Å; P799-L883 HydrophobicContact CG-CD2 4.44Å; P799-W890 HydrophobicContact CB-CD2 3.98Å; P799-W890 HydrophobicContact CB-CG 4.03Å; P799-W890 HydrophobicContact CB-CZ2 4.3Å; P799-W890 HydrophobicContact CG-CB 4.26Å; P799-W890 HydrophobicContact CG-CD2 3.47Å; P799-W890 VanDerWaalsContact CG-CD2 3.47Å; P799-W890 HydrophobicContact CG-CE3 3.76Å; P799-W890 HydrophobicContact CG-CG 3.69Å; P799-W890 HydrophobicContact CG-CZ2 4.28Å; P799-W890 HydrophobicContact CG-CZ3 4.27Å
800	L	93	Very high	92.1	Very high	25 Å²	25	21.7 Å²	21.7	13%	0.131	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-63.4	120.9	-174.9	-175.8	64	0	0	0	110.4	F790 F793 L802 H919	F790-L800 HydrophobicContact CD1-CD1 4.35Å; F790-L800 HydrophobicContact CE1-CD1 4.25Å; F790-L800 HydrophobicContact CZ-CD1 4.42Å; F793-L800 HydrophobicContact CB-CD1 4.06Å; F793-L800 HydrophobicContact CD1-CD1 4.1Å; F793-L800 HydrophobicContact CD2-CB 3.88Å; F793-L800 HydrophobicContact CD2-CD1 3.93Å; F793-L800 HydrophobicContact CE1-CD1 4.43Å; F793-L800 HydrophobicContact CE2-CB 3.81Å; F793-L800 HydrophobicContact CE2-CD1 4.33Å; F793-L800 HydrophobicContact CG-CD1 3.8Å; F793-L800 HydrophobicContact CZ-CB 4.44Å; L800-L802 WeakPolarHBondContact CG-O 3.15Å; L800-H919 PolarHBondContact O-CD2 3.2Å; L800-H919 PolarHBondContact O-NE2 3.13Å
801	P	95.4	Very high	92.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-76.9	-30.9	-177.1	-18.7	32.3	0	0	0	114.5	P789 I798 P799 F866 Y869 H919 F922	P789-P801 HydrophobicContact CB-CB 4.04Å; P789-P801 HydrophobicContact CB-CG 4.16Å; P789-P801 HydrophobicContact CG-CB 4.47Å; I798-P801 HydrophobicContact CD1-CG 4.1Å; P799-P801 WeakPolarHBondContact O-CD 3.43Å; P801-F866 HydrophobicContact CB-CE1 4.17Å; P801-F866 HydrophobicContact CG-CD1 4.49Å; P801-F866 HydrophobicContact CG-CE1 3.71Å; P801-F866 HydrophobicContact CG-CZ 4.41Å; P801-Y869 HydrophobicContact CB-CD2 3.69Å; P801-Y869 HydrophobicContact CB-CE2 3.94Å; P801-Y869 HydrophobicContact CB-CG 4.1Å; P801-Y869 HydrophobicContact CG-CD2 4.3Å; P801-Y869 HydrophobicContact CG-CE2 4.11Å; P801-H919 VanDerWaalsContact C-CD2 3.49Å; P801-H919 PolarHBondContact O-CD2 3.48Å; P801-F922 HydrophobicContact CB-CD2 3.95Å; P801-F922 HydrophobicContact CB-CE2 3.98Å
802	L	94.4	Very high	92	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-143.5	131.2	-178.1	-171.4	72.7	0	0	0	109.9	E786 P789 L800 T806 I807 F922 F923 I926	E786-L802 HydrophobicContact CB-CD2 4.29Å; E786-L802 HydrophobicContact CG-CD2 4.1Å; P789-L802 HydrophobicContact CB-CB 3.76Å; P789-L802 HydrophobicContact CG-CB 3.68Å; P789-L802 HydrophobicContact CG-CD2 4.3Å; L800-L802 WeakPolarHBondContact CG-O 3.15Å; L802-T806 VanDerWaalsContact CD1-OG1 3.26Å; L802-T806 WeakPolarHBondContact CD1-OG1 3.4Å; L802-I807 HydrophobicContact CD2-CD1 4.38Å; L802-I807 HydrophobicContact CD2-CG1 3.74Å; L802-I807 HydrophobicContact CG-CG1 4.28Å; L802-F922 HydrophobicContact CB-CD1 4.31Å; L802-F922 HydrophobicContact CB-CG 4.37Å; L802-F922 HydrophobicContact CD1-CB 3.99Å; L802-F922 HydrophobicContact CD1-CD1 3.98Å; L802-F922 HydrophobicContact CD1-CG 4.22Å; L802-F922 HydrophobicContact CD2-CD1 4.28Å; L802-F922 HydrophobicContact CG-CD1 4.42Å; L802-F923 HydrophobicContact CD1-CB 4.44Å; L802-I926 HydrophobicContact CD2-CD1 4.09Å
803	G	89	Confident	92	Very high	9 Å²	9	21.1 Å²	21.1	9%	0.093	13%	0.126	C	C	.	.			trans	-89.6	162.8	179.7	0	0	0	0	0	113.5	V805 T806 I807	G803-V805 PolarHBondContact O-N 3.18Å; G803-T806 PolarHBondContact N-OG1 3.4Å; G803-T806 VanDerWaalsContact N-OG1 3.12Å; G803-T806 PolarHBondContact O-N 2.82Å; G803-T806 PolarHBondContact O-OG1 2.83Å; G803-I807 PolarHBondContact O-N 2.81Å
804	T	84.9	Confident	92.1	Very high	31 Å²	31	20.5 Å²	20.5	19%	0.19	12%	0.123	C	C	.	.	H	α-helix	trans	-66.4	-34.9	179.2	-43.7	0	0	0	0	113.1	L132 V329 T806 I807 L808	L132-T804 HydrophobicContact CD1-CG2 3.58Å; L132-T804 HydrophobicContact CD2-CG2 3.72Å; L132-T804 HydrophobicContact CG-CG2 4.31Å; V329-T804 HydrophobicContact CG1-CG2 4.01Å; T804-T806 VanDerWaalsContact C-N 3.3Å; T804-T806 PolarHBondContact O-N 2.85Å; T804-I807 WeakPolarHBondContact O-CB 3.33Å; T804-I807 PolarHBondContact O-N 3.18Å; T804-L808 PolarHBondContact O-N 3.49Å
805	V	87.5	Confident	92.4	Very high	70 Å²	70	20.6 Å²	20.6	42%	0.424	12%	0.124	S	C	.	.	H	α-helix	trans	-64	-38.7	176.4	177.8	0	0	0	0	110.9	G803 I807 L808 C809 L978	G803-V805 PolarHBondContact O-N 3.18Å; V805-I807 VanDerWaalsContact C-N 3.34Å; V805-L808 PolarHBondContact O-N 3.37Å; V805-C809 PolarHBondContact O-N 2.82Å; V805-C809 VanDerWaalsContact O-N 3.12Å; V805-C809 PolarHBondContact O-SG 3.41Å; V805-C809 VanDerWaalsContact O-SG 3.37Å; V805-L978 HydrophobicContact CG1-CB 4.23Å; V805-L978 HydrophobicContact CG1-CD2 3.94Å
806	T	91.3	Very high	92.4	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-30.6	177.5	43.4	0	0	0	0	112.9	L802 G803 T804 C809 I810 H919 F923 M980	L802-T806 VanDerWaalsContact CD1-OG1 3.26Å; L802-T806 WeakPolarHBondContact CD1-OG1 3.4Å; G803-T806 PolarHBondContact N-OG1 3.4Å; G803-T806 VanDerWaalsContact N-OG1 3.12Å; G803-T806 PolarHBondContact O-N 2.82Å; G803-T806 PolarHBondContact O-OG1 2.83Å; T804-T806 VanDerWaalsContact C-N 3.3Å; T804-T806 PolarHBondContact O-N 2.85Å; T806-C809 WeakPolarHBondContact O-CB 3.21Å; T806-C809 PolarHBondContact O-N 3.28Å; T806-I810 WeakPolarHBondContact O-CG1 3.3Å; T806-I810 PolarHBondContact O-N 3.16Å; T806-H919 HydrophobicContact CG2-CB 4.15Å; T806-F923 HydrophobicContact CG2-CB 4.43Å; T806-M980 HydrophobicContact CG2-CE 4.2Å; T806-M980 HydrophobicContact CG2-CG 4.49Å
807	I	91.3	Very high	92.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-49.9	171.5	-65.9	173.3	0	0	0	109.8	A330 E786 F790 L802 G803 T804 V805 C809 I810 D811	A330-I807 HydrophobicContact CB-CD1 3.98Å; E786-I807 HydrophobicContact CB-CD1 4.1Å; E786-I807 HydrophobicContact CB-CG1 4.04Å; E786-I807 HydrophobicContact CB-CG2 4.48Å; E786-I807 HydrophobicContact CG-CG1 4.11Å; E786-I807 HydrophobicContact CG-CG2 4.38Å; F790-I807 HydrophobicContact CE2-CD1 3.79Å; L802-I807 HydrophobicContact CD2-CD1 4.38Å; L802-I807 HydrophobicContact CD2-CG1 3.74Å; L802-I807 HydrophobicContact CG-CG1 4.28Å; G803-I807 PolarHBondContact O-N 2.81Å; T804-I807 WeakPolarHBondContact O-CB 3.33Å; T804-I807 PolarHBondContact O-N 3.18Å; V805-I807 VanDerWaalsContact C-N 3.34Å; I807-C809 PolarHBondContact O-N 2.86Å; I807-I810 WeakPolarHBondContact O-CA 3.18Å; I807-I810 WeakPolarHBondContact O-CB 3.37Å; I807-I810 PolarHBondContact O-N 2.97Å; I807-D811 WeakPolarHBondContact CG2-OD2 3.35Å; I807-D811 PolarHBondContact O-N 3.21Å; I807-D811 VanDerWaalsContact O-N 3.09Å
808	L	88.8	Confident	92.8	Very high	19 Å²	19	16.8 Å²	16.8	10%	0.099	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-32.1	177.9	-64.7	174.4	0	0	0	113.2	L132 V135 L136 T804 V805 I810 L812	L132-L808 HydrophobicContact CD1-CD1 3.87Å; V135-L808 HydrophobicContact CG1-CD1 3.77Å; L136-L808 HydrophobicContact CD2-CD2 4.42Å; T804-L808 PolarHBondContact O-N 3.49Å; V805-L808 PolarHBondContact O-N 3.37Å; L808-I810 PolarHBondContact O-N 3.17Å; L808-L812 HydrophobicContact CD2-CD1 4.19Å; L808-L812 WeakPolarHBondContact O-CB 3.49Å; L808-L812 PolarHBondContact O-N 2.85Å; L808-L812 VanDerWaalsContact O-N 3.07Å
809	C	93.3	Very high	92.8	Very high	17 Å²	17	16.7 Å²	16.7	12%	0.115	10%	0.101	C	C	.	.	H	α-helix	trans	-65.4	-25.1	173.1	-69.9	0	0	0	0	113.1	V805 T806 I807 G813 T814 F923 L968	V805-C809 PolarHBondContact O-N 2.82Å; V805-C809 VanDerWaalsContact O-N 3.12Å; V805-C809 PolarHBondContact O-SG 3.41Å; V805-C809 VanDerWaalsContact O-SG 3.37Å; T806-C809 WeakPolarHBondContact O-CB 3.21Å; T806-C809 PolarHBondContact O-N 3.28Å; I807-C809 PolarHBondContact O-N 2.86Å; C809-G813 CarbonylContact O-C 3.55Å; C809-G813 WeakPolarHBondContact O-CA 3.47Å; C809-G813 PolarHBondContact O-N 2.94Å; C809-T814 PolarHBondContact O-N 3.25Å; C809-F923 HydrophobicContact CB-CD2 4.37Å; C809-F923 HydrophobicContact CB-CE2 3.91Å; C809-L968 HydrophobicContact CB-CD1 4.38Å
810	I	94.4	Very high	92.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-79.7	-63.9	176	-60.8	164	0	0	0	108.6	E786 T806 I807 L808 L812 G813 T814 D815 F923 I926	E786-I810 HydrophobicContact CG-CD1 4.23Å; E786-I810 WeakPolarHBondContact OE1-CG2 3.4Å; T806-I810 WeakPolarHBondContact O-CG1 3.3Å; T806-I810 PolarHBondContact O-N 3.16Å; I807-I810 WeakPolarHBondContact O-CA 3.18Å; I807-I810 WeakPolarHBondContact O-CB 3.37Å; I807-I810 PolarHBondContact O-N 2.97Å; L808-I810 PolarHBondContact O-N 3.17Å; I810-L812 PolarHBondContact O-N 2.95Å; I810-G813 PolarHBondContact O-N 2.96Å; I810-T814 WeakPolarHBondContact CA-OG1 3.41Å; I810-T814 PolarHBondContact O-N 2.6Å; I810-D815 HydrophobicContact CG2-CB 4.41Å; I810-D815 PolarHBondContact O-N 3.18Å; I810-F923 HydrophobicContact CD1-CD2 4.01Å; I810-F923 HydrophobicContact CG1-CD2 3.49Å; I810-F923 VanDerWaalsContact CG1-CD2 3.49Å; I810-F923 HydrophobicContact CG1-CE2 3.73Å; I810-I926 HydrophobicContact CD1-CB 4.22Å; I810-I926 HydrophobicContact CD1-CD1 3.46Å; I810-I926 VanDerWaalsContact CD1-CD1 3.46Å; I810-I926 HydrophobicContact CD1-CG1 4.42Å; I810-I926 HydrophobicContact CD1-CG2 4.08Å; I810-I926 HydrophobicContact CG2-CG2 4.31Å
811	D	91.1	Very high	93.1	Very high	3 Å²	3	17 Å²	17	2%	0.016	10%	0.103	C	C	.	.	I	π-helix	trans	-63.6	-36.4	-171.1	-70.9	-56.2	0	0	0	114.2	G335 I807	G335-D811 WeakPolarHBondContact CA-O 3.5Å; I807-D811 WeakPolarHBondContact CG2-OD2 3.35Å; I807-D811 PolarHBondContact O-N 3.21Å; I807-D811 VanDerWaalsContact O-N 3.09Å
812	L	90.1	Very high	93.2	Very high	66 Å²	66	17 Å²	17	35%	0.346	10%	0.103	S	C	.	.	I	π-helix	trans	-106.9	-1.2	-177.8	-58.4	173.9	0	0	0	113.1	V139 E334 L808 I810	V139-L812 HydrophobicContact CG1-CD1 4.34Å; V139-L812 HydrophobicContact CG1-CD2 4.45Å; V139-L812 HydrophobicContact CG2-CD1 3.41Å; V139-L812 VanDerWaalsContact CG2-CD1 3.41Å; E334-L812 HydrophobicContact CB-CD2 3.94Å; E334-L812 HydrophobicContact CB-CG 4.32Å; L808-L812 HydrophobicContact CD2-CD1 4.19Å; L808-L812 WeakPolarHBondContact O-CB 3.49Å; L808-L812 PolarHBondContact O-N 2.85Å; L808-L812 VanDerWaalsContact O-N 3.07Å; I810-L812 PolarHBondContact O-N 2.95Å
813	G	93.9	Very high	93.2	Very high	21 Å²	21	17.2 Å²	17.2	22%	0.216	10%	0.104	C	C	.	.	I	π-helix	trans	-121.5	-91.5	-177.2	0	0	0	0	0	111.5	C809 I810 D815	C809-G813 CarbonylContact O-C 3.55Å; C809-G813 WeakPolarHBondContact O-CA 3.47Å; C809-G813 PolarHBondContact O-N 2.94Å; I810-G813 PolarHBondContact O-N 2.96Å; G813-D815 PolarHBondContact O-N 3.42Å
814	T	96.3	Very high	93.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-62.4	-41.8	-167.9	54.8	0	0	0	0	113.2	C809 I810 M816 P818 F923 V927 L964 A965	C809-T814 PolarHBondContact O-N 3.25Å; I810-T814 WeakPolarHBondContact CA-OG1 3.41Å; I810-T814 PolarHBondContact O-N 2.6Å; T814-M816 VanDerWaalsContact C-N 3.32Å; T814-M816 PolarHBondContact O-N 3.11Å; T814-P818 WeakPolarHBondContact O-CD 3.36Å; T814-P818 WeakPolarHBondContact O-CG 3.4Å; T814-F923 HydrophobicContact CG2-CE2 3.9Å; T814-F923 HydrophobicContact CG2-CZ 3.59Å; T814-V927 HydrophobicContact CG2-CG2 4.03Å; T814-L964 HydrophobicContact CG2-CD2 4.24Å; T814-A965 HydrophobicContact CG2-CB 4.48Å
815	D	95.9	Very high	94.2	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.5	-168.4	-74.8	29.9	0	0	0	112.8	Y778 I810 G813 A819 Q930	Y778-D815 HydrophobicContact CE1-CB 4.11Å; I810-D815 HydrophobicContact CG2-CB 4.41Å; I810-D815 PolarHBondContact O-N 3.18Å; G813-D815 PolarHBondContact O-N 3.42Å; D815-A819 WeakPolarHBondContact O-CB 3.27Å; D815-A819 PolarHBondContact O-N 3.28Å; D815-Q930 PolarHBondContact OD2-NE2 2.9Å
816	M	92.8	Very high	94.6	Very high	40 Å²	40	22.9 Å²	22.9	20%	0.197	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-54	-177.3	-73.2	-70.7	-68.9	0	0	112.7	A338 T814 A819 I820	A338-M816 HydrophobicContact CB-CE 4.24Å; T814-M816 VanDerWaalsContact C-N 3.32Å; T814-M816 PolarHBondContact O-N 3.11Å; M816-A819 PolarHBondContact O-N 2.77Å; M816-I820 WeakPolarHBondContact O-CB 3.2Å; M816-I820 WeakPolarHBondContact O-CD1 3.19Å; M816-I820 WeakPolarHBondContact O-CG1 3.38Å; M816-I820 PolarHBondContact O-N 3.21Å
817	V	96.6	Very high	94.9	Very high	41 Å²	41	24.4 Å²	24.4	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-46.2	-177.2	-179.1	0	0	0	0	111.7	A819 I820 S821 F956 E960	V817-A819 PolarHBondContact O-N 3.38Å; V817-I820 PolarHBondContact O-N 3.14Å; V817-S821 WeakPolarHBondContact O-CB 3.37Å; V817-S821 PolarHBondContact O-N 3.25Å; V817-F956 HydrophobicContact CG1-CD1 4.36Å; V817-F956 HydrophobicContact CG1-CE1 4.38Å; V817-E960 WeakPolarHBondContact CB-OE2 3.45Å; V817-E960 WeakPolarHBondContact CG2-OE2 3.18Å
818	P	97.8	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53	-49.8	170.2	-30.3	38.3	0	0	0	113.7	Y778 T814 I820 S821 L822 L934 E961	Y778-P818 HydrophobicContact CE1-CB 3.7Å; Y778-P818 WeakPolarHBondContact OH-CB 3.39Å; T814-P818 WeakPolarHBondContact O-CD 3.36Å; T814-P818 WeakPolarHBondContact O-CG 3.4Å; P818-I820 PolarHBondContact O-N 2.69Å; P818-S821 WeakPolarHBondContact O-CB 3.36Å; P818-S821 PolarHBondContact O-N 2.72Å; P818-S821 VanDerWaalsContact O-N 3.1Å; P818-S821 PolarHBondContact O-OG 3.35Å; P818-L822 PolarHBondContact O-N 3.21Å; P818-L934 HydrophobicContact CB-CD1 3.87Å; P818-L934 HydrophobicContact CB-CD2 3.85Å; P818-L934 HydrophobicContact CB-CG 4.41Å; P818-E961 HydrophobicContact CG-CB 4.05Å; P818-E961 HydrophobicContact CG-CG 4.12Å
819	A	96.5	Very high	95.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-41.1	-178.5	0	0	0	0	0	112.3	T339 S775 Y778 D815 M816 V817 S821 L822	T339-A819 HydrophobicContact CG2-CB 3.72Å; S775-A819 PolarHBondContact OG-O 3.1Å; Y778-A819 HydrophobicContact CD1-CB 3.82Å; Y778-A819 HydrophobicContact CE1-CB 4.04Å; D815-A819 WeakPolarHBondContact O-CB 3.27Å; D815-A819 PolarHBondContact O-N 3.28Å; M816-A819 PolarHBondContact O-N 2.77Å; V817-A819 PolarHBondContact O-N 3.38Å; A819-S821 VanDerWaalsContact C-N 3.32Å; A819-S821 PolarHBondContact O-N 2.75Å; A819-L822 PolarHBondContact O-N 3.45Å
820	I	96	Very high	95.4	Very high	33 Å²	33	32.3 Å²	32.3	17%	0.169	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-36.2	174.9	-69	165.8	0	0	0	111	T339 V342 L346 M816 V817 P818 L822 A823	T339-I820 HydrophobicContact CG2-CG1 4Å; V342-I820 HydrophobicContact CB-CD1 4.3Å; V342-I820 HydrophobicContact CB-CG1 4.33Å; V342-I820 HydrophobicContact CG1-CD1 4.03Å; V342-I820 HydrophobicContact CG1-CG1 4.13Å; V342-I820 HydrophobicContact CG1-CG2 3.76Å; V342-I820 HydrophobicContact CG2-CD1 4.4Å; L346-I820 HydrophobicContact CD1-CG2 3.91Å; M816-I820 WeakPolarHBondContact O-CB 3.2Å; M816-I820 WeakPolarHBondContact O-CD1 3.19Å; M816-I820 WeakPolarHBondContact O-CG1 3.38Å; M816-I820 PolarHBondContact O-N 3.21Å; V817-I820 PolarHBondContact O-N 3.14Å; P818-I820 PolarHBondContact O-N 2.69Å; I820-L822 PolarHBondContact O-N 3.38Å; I820-A823 WeakPolarHBondContact O-CB 3.49Å; I820-A823 PolarHBondContact O-N 3.27Å; I820-A823 VanDerWaalsContact O-N 3.11Å
821	S	97.8	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-27.1	-178.3	84.2	0	0	0	0	113.5	V817 P818 A819 A823 Y824 N951 L954	V817-S821 WeakPolarHBondContact O-CB 3.37Å; V817-S821 PolarHBondContact O-N 3.25Å; P818-S821 WeakPolarHBondContact O-CB 3.36Å; P818-S821 PolarHBondContact O-N 2.72Å; P818-S821 VanDerWaalsContact O-N 3.1Å; P818-S821 PolarHBondContact O-OG 3.35Å; A819-S821 VanDerWaalsContact C-N 3.32Å; A819-S821 PolarHBondContact O-N 2.75Å; S821-A823 PolarHBondContact O-N 3.12Å; S821-Y824 WeakPolarHBondContact O-CB 3.41Å; S821-Y824 PolarHBondContact O-N 3.45Å; S821-N951 PolarHBondContact O-ND2 3.47Å; S821-L954 VanDerWaalsContact OG-CA 3.3Å; S821-L954 WeakPolarHBondContact OG-CA 3.42Å; S821-L954 WeakPolarHBondContact OG-CB 3.33Å
822	L	97.8	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-65.7	-22	177.1	-71.7	167.7	0	0	0	112.4	K774 Y778 P818 A819 I820 Y824 E825 L934 C937 L954	K774-L822 HydrophobicContact CB-CD1 4.48Å; Y778-L822 HydrophobicContact CD1-CD1 4.43Å; Y778-L822 HydrophobicContact CG-CD1 4.08Å; P818-L822 PolarHBondContact O-N 3.21Å; A819-L822 PolarHBondContact O-N 3.45Å; I820-L822 PolarHBondContact O-N 3.38Å; L822-Y824 PolarHBondContact O-N 3.27Å; L822-E825 HydrophobicContact CD2-CG 4.37Å; L822-E825 WeakPolarHBondContact O-CB 3.41Å; L822-E825 PolarHBondContact O-N 3.37Å; L822-E825 VanDerWaalsContact O-N 3.15Å; L822-L934 HydrophobicContact CD1-CD1 3.91Å; L822-L934 HydrophobicContact CD2-CD1 4.03Å; L822-L934 HydrophobicContact CG-CD1 3.81Å; L822-C937 HydrophobicContact CD1-CB 4.49Å; L822-L954 HydrophobicContact CD2-CD1 4.04Å
823	A	94.9	Very high	95.8	Very high	3 Å²	3	38 Å²	38	3%	0.025	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-66.3	-20.1	171.9	0	0	0	0	0	113.7	C343 I768 N771 I820 S821 E825	C343-A823 HydrophobicContact CB-CB 3.81Å; C343-A823 VanDerWaalsContact SG-CB 3.57Å; I768-A823 HydrophobicContact CD1-CB 4.27Å; N771-A823 PolarHBondContact ND2-O 3.43Å; I820-A823 WeakPolarHBondContact O-CB 3.49Å; I820-A823 PolarHBondContact O-N 3.27Å; I820-A823 VanDerWaalsContact O-N 3.11Å; S821-A823 PolarHBondContact O-N 3.12Å; A823-E825 VanDerWaalsContact C-N 3.29Å
824	Y	96.6	Very high	95.8	Very high	89 Å²	89	41.1 Å²	41.1	35%	0.349	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-84.9	-0.3	175.8	-72.7	-90.7	0	0	0	113.7	L346 S821 L822 I953	L346-Y824 HydrophobicContact CD1-CD2 4.4Å; L346-Y824 HydrophobicContact CD1-CE2 3.5Å; L346-Y824 VanDerWaalsContact CD1-CE2 3.5Å; L346-Y824 WeakPolarHBondContact CD2-OH 3.16Å; S821-Y824 WeakPolarHBondContact O-CB 3.41Å; S821-Y824 PolarHBondContact O-N 3.45Å; L822-Y824 PolarHBondContact O-N 3.27Å; Y824-I953 HydrophobicContact CD1-CG1 4.25Å; Y824-I953 HydrophobicContact CD2-CB 4.14Å; Y824-I953 HydrophobicContact CD2-CG1 4.04Å; Y824-I953 HydrophobicContact CD2-CG2 4.1Å; Y824-I953 HydrophobicContact CE1-CG1 4.38Å; Y824-I953 HydrophobicContact CE2-CB 4.5Å; Y824-I953 HydrophobicContact CE2-CG1 4.16Å; Y824-I953 HydrophobicContact CE2-CG2 4.16Å; Y824-I953 HydrophobicContact CG-CB 4.41Å; Y824-I953 HydrophobicContact CG-CG1 4.06Å
825	E	97.8	Very high	95.9	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.023	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-63	144.6	176.1	-79.9	-57.3	134.4	0	0	112.3	N771 L822 A823 K938 N951	N771-E825 PolarHBondContact ND2-O 3.4Å; L822-E825 HydrophobicContact CD2-CG 4.37Å; L822-E825 WeakPolarHBondContact O-CB 3.41Å; L822-E825 PolarHBondContact O-N 3.37Å; L822-E825 VanDerWaalsContact O-N 3.15Å; A823-E825 VanDerWaalsContact C-N 3.29Å; E825-K938 VanDerWaalsContact CD-NZ 3.27Å; E825-K938 HydrophobicContact CG-CG 3.99Å; E825-K938 WeakPolarHBondContact OE1-CE 3.35Å; E825-K938 VanDerWaalsContact OE1-CG 3.29Å; E825-K938 WeakPolarHBondContact OE1-CG 3.35Å; E825-K938 IonicContact OE1-NZ 3.56Å; E825-K938 PolarHBondContact OE1-NZ 2.84Å; E825-K938 IonicContact OE2-NZ 3.51Å; E825-K938 PolarHBondContact OE2-NZ 3.37Å; E825-N951 WeakPolarHBondContact OE1-CB 3.47Å; E825-N951 PolarHBondContact OE1-ND2 2.94Å
826	Q	96.6	Very high	95.9	Very high	136 Å²	136	48.1 Å²	48.1	64%	0.636	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-88.7	163.5	176.2	-66.9	-178.2	-16.8	0	0	110.4
827	A	96	Very high	96.1	Very high	36 Å²	36	47.7 Å²	47.7	30%	0.298	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-58.6	140.7	175.6	0	0	0	0	0	111.6	L767 S829 I831 Q947	L767-A827 HydrophobicContact CD1-CB 4.2Å; A827-S829 WeakPolarHBondContact CB-O 3.49Å; A827-I831 HydrophobicContact CB-CD1 4.19Å; A827-I831 HydrophobicContact CB-CG1 4.32Å; A827-I831 HydrophobicContact CB-CG2 4.07Å; A827-Q947 PolarHBondContact O-NE2 2.91Å
828	E	95.4	Very high	96	Very high	37 Å²	37	49.4 Å²	49.4	17%	0.173	24%	0.244	C	C	.	.	S	Bend	trans	-84	-19.2	176.3	-71.8	-179.7	-124.2	0	0	112.4	K774 T939 R940 R941 N942	K774-E828 WeakPolarHBondContact CE-OE1 3.32Å; K774-E828 IonicContact NZ-OE1 2.67Å; K774-E828 PolarHBondContact NZ-OE1 3.3Å; E828-T939 WeakPolarHBondContact OE1-CA 3.22Å; E828-R940 PolarHBondContact OE1-N 3.18Å; E828-R940 PolarHBondContact OE2-N 2.82Å; E828-R940 VanDerWaalsContact OE2-N 3.17Å; E828-R941 PolarHBondContact OE2-N 3.36Å; E828-N942 HydrophobicContact CG-CB 4.46Å; E828-N942 PolarHBondContact O-ND2 3.24Å; E828-N942 PolarHBondContact OE2-N 3.07Å
829	S	94.3	Very high	95.8	Very high	80 Å²	80	51 Å²	51	56%	0.559	25%	0.254	S	S	*	.	S	Bend	trans	-150.8	177.1	179.2	63	0	0	0	0	109.7	A827 I831	A827-S829 WeakPolarHBondContact CB-O 3.49Å; S829-I831 PolarHBondContact O-N 3.38Å
830	D	94.3	Very high	95.6	Very high	85 Å²	85	58.5 Å²	58.5	46%	0.455	29%	0.287	S	S	.	.			trans	-71.6	90.2	175.3	-170	-15.7	0	0	0	110.7	M832 K833	D830-M832 PolarHBondContact O-N 3.3Å; D830-M832 PolarHBondContact OD1-N 2.67Å; D830-K833 HydrophobicContact CB-CD 4.15Å; D830-K833 HydrophobicContact CB-CG 4.32Å; D830-K833 PolarHBondContact O-N 3.42Å; D830-K833 VanDerWaalsContact O-N 3.13Å; D830-K833 VanDerWaalsContact OD2-CD 3.26Å; D830-K833 WeakPolarHBondContact OD2-CD 3.03Å; D830-K833 WeakPolarHBondContact OD2-CE 3.31Å; D830-K833 WeakPolarHBondContact OD2-CG 3.1Å; D830-K833 IonicContact OD2-NZ 2.69Å; D830-K833 PolarHBondContact OD2-NZ 3.3Å
831	I	94.8	Very high	95.4	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-11.6	-178.8	58.2	176.1	0	0	0	113.2	E763 R766 L767 A827 S829 K833 R834	E763-I831 HydrophobicContact CG-CD1 3.82Å; E763-I831 HydrophobicContact CG-CG1 4.17Å; E763-I831 VanDerWaalsContact O-CD1 3.29Å; E763-I831 WeakPolarHBondContact O-CD1 3.25Å; R766-I831 HydrophobicContact CB-CB 4.48Å; R766-I831 HydrophobicContact CB-CD1 4.03Å; R766-I831 WeakPolarHBondContact CD-O 3.27Å; R766-I831 PolarHBondContact NH1-O 3.39Å; L767-I831 HydrophobicContact CB-CD1 3.96Å; A827-I831 HydrophobicContact CB-CD1 4.19Å; A827-I831 HydrophobicContact CB-CG1 4.32Å; A827-I831 HydrophobicContact CB-CG2 4.07Å; S829-I831 PolarHBondContact O-N 3.38Å; I831-K833 VanDerWaalsContact C-N 3.35Å; I831-R834 WeakPolarHBondContact O-CG 3.42Å
832	M	95.7	Very high	95.3	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.133	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3	175.3	-65.7	-56.2	-70.1	0	0	113	A609 V759 V762 E763 D830	A609-M832 WeakPolarHBondContact CA-O 3.48Å; A609-M832 HydrophobicContact CB-CE 3.99Å; A609-M832 WeakPolarHBondContact CB-O 3.35Å; A609-M832 PolarHBondContact N-O 3.24Å; V759-M832 HydrophobicContact CG1-CE 3.65Å; V762-M832 HydrophobicContact CB-CE 4.37Å; V762-M832 HydrophobicContact CG1-CE 4.08Å; V762-M832 HydrophobicContact CG1-SD 4.07Å; E763-M832 HydrophobicContact CB-CG 4.23Å; E763-M832 HydrophobicContact CB-SD 3.75Å; E763-M832 HydrophobicContact CG-CG 4.18Å; E763-M832 HydrophobicContact CG-SD 4.27Å; D830-M832 PolarHBondContact O-N 3.3Å; D830-M832 PolarHBondContact OD1-N 2.67Å
833	K	94.8	Very high	95.1	Very high	155 Å²	155	67.2 Å²	67.2	67%	0.674	34%	0.335	S	S	*	.	S	Bend	trans	-99.4	-14.2	172.7	-73.2	-177.8	179.2	168.9	0	114.9	D830 I831	D830-K833 HydrophobicContact CB-CD 4.15Å; D830-K833 HydrophobicContact CB-CG 4.32Å; D830-K833 PolarHBondContact O-N 3.42Å; D830-K833 VanDerWaalsContact O-N 3.13Å; D830-K833 VanDerWaalsContact OD2-CD 3.26Å; D830-K833 WeakPolarHBondContact OD2-CD 3.03Å; D830-K833 WeakPolarHBondContact OD2-CE 3.31Å; D830-K833 WeakPolarHBondContact OD2-CG 3.1Å; D830-K833 IonicContact OD2-NZ 2.69Å; D830-K833 PolarHBondContact OD2-NZ 3.3Å; I831-K833 VanDerWaalsContact C-N 3.35Å
834	R	94	Very high	95.2	Very high	87 Å²	87	67.2 Å²	67.2	33%	0.328	33%	0.334	S	S	.	.	S	Bend	trans	-82.2	153.8	175.8	66.4	175.6	-176.1	-161.6	0.3	110.9	A609 R766 D770 I831	A609-R834 CarbonylContact C-O 3.35Å; R766-R834 PolarHBondContact NH1-O 3.11Å; R766-R834 PolarHBondContact O-NH2 3.42Å; D770-R834 IonicContact OD1-NH1 3.82Å; D770-R834 IonicContact OD1-NH2 3.12Å; D770-R834 IonicContact OD2-CZ 2.67Å; D770-R834 IonicContact OD2-NH1 3.84Å; D770-R834 PolarHBondContact OD2-NH1 3.09Å; D770-R834 IonicContact OD2-NH2 2.82Å; D770-R834 PolarHBondContact OD2-NH2 3.06Å; I831-R834 WeakPolarHBondContact O-CG 3.42Å
835	Q	96.8	Very high	95.1	Very high	129 Å²	129	63 Å²	63	60%	0.603	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-63.8	157.1	171.1	-64.5	-63.7	-46.6	0	0	110.9	G610	G610-Q835 VanDerWaalsContact CA-OE1 3.31Å
836	P	97.1	Very high	94.9	Very high	21 Å²	21	64 Å²	64	14%	0.136	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-55.6	145.5	168.3	-20.7	33.9	0	0	0	110.4	T370 A609 I611	T370-P836 WeakPolarHBondContact O-CB 3.42Å; T370-P836 WeakPolarHBondContact O-CG 3.43Å; A609-P836 WeakPolarHBondContact O-CD 3.3Å; I611-P836 HydrophobicContact CG1-CG 4.05Å
837	R	96.1	Very high	94.8	Very high	31 Å²	31	64.9 Å²	64.9	12%	0.117	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-63.8	147.4	177.9	74.4	170.9	179	103	-1.8	110.1	E287 E365 S369 P839 D842	E287-R837 IonicContact OE1-CZ 3.25Å; E287-R837 IonicContact OE1-NH1 3.4Å; E287-R837 PolarHBondContact OE1-NH1 2.86Å; E365-R837 IonicContact OE1-CZ 2.72Å; E365-R837 IonicContact OE1-NE 2.72Å; E365-R837 PolarHBondContact OE1-NE 3.3Å; E365-R837 IonicContact OE1-NH2 2.95Å; E365-R837 PolarHBondContact OE1-NH2 2.91Å; S369-R837 PolarHBondContact OG-NE 3.46Å; S369-R837 PolarHBondContact OG-NH2 3.49Å; R837-P839 WeakPolarHBondContact O-CD 3.41Å; R837-D842 HydrophobicContact CB-CB 3.98Å; R837-D842 PolarHBondContact NH1-O 3.47Å
838	N	95.9	Very high	94.8	Very high	76 Å²	76	67.2 Å²	67.2	41%	0.406	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-87	116.4	171	179.4	-26.9	0	0	0	108.9	K840 T841 D842	N838-K840 PolarHBondContact O-N 3.41Å; N838-K840 WeakPolarHBondContact OD1-CB 3.33Å; N838-K840 PolarHBondContact OD1-N 2.92Å; N838-T841 WeakPolarHBondContact CB-OG1 3.31Å; N838-T841 PolarHBondContact O-N 3.1Å; N838-T841 VanDerWaalsContact O-N 3.15Å; N838-D842 PolarHBondContact N-OD2 3.02Å; N838-D842 PolarHBondContact O-N 3.5Å
839	P	92.8	Very high	94.9	Very high	34 Å²	34	65.5 Å²	65.5	22%	0.221	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.7	-174.3	26.8	-35.5	0	0	0	113.6	I711 R837 K843	I711-P839 HydrophobicContact CD1-CB 4.47Å; I711-P839 HydrophobicContact CD1-CG 4.24Å; I711-P839 HydrophobicContact CG1-CG 4.31Å; R837-P839 WeakPolarHBondContact O-CD 3.41Å; P839-K843 WeakPolarHBondContact O-CE 3.4Å; P839-K843 PolarHBondContact O-NZ 3.09Å
840	K	92.2	Very high	95	Very high	158 Å²	158	63.1 Å²	63.1	69%	0.687	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-33.1	177.4	-62.5	-178.3	-179	176.1	0	112.7	N838	N838-K840 PolarHBondContact O-N 3.41Å; N838-K840 WeakPolarHBondContact OD1-CB 3.33Å; N838-K840 PolarHBondContact OD1-N 2.92Å
841	T	92.8	Very high	95.1	Very high	92 Å²	92	61.3 Å²	61.3	56%	0.564	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-43.8	-174.4	55.8	0	0	0	0	112.8	N838 K843	N838-T841 WeakPolarHBondContact CB-OG1 3.31Å; N838-T841 PolarHBondContact O-N 3.1Å; N838-T841 VanDerWaalsContact O-N 3.15Å; T841-K843 PolarHBondContact O-N 3.41Å; T841-K843 VanDerWaalsContact O-N 3.09Å
842	D	94	Very high	95.2	Very high	76 Å²	76	61.3 Å²	61.3	41%	0.406	30%	0.296	S	S	.	.	S	Bend	trans	-90.7	75.2	-173	-58.1	-44.1	0	0	0	110.2	R837 N838	R837-D842 HydrophobicContact CB-CB 3.98Å; R837-D842 PolarHBondContact NH1-O 3.47Å; N838-D842 PolarHBondContact N-OD2 3.02Å; N838-D842 PolarHBondContact O-N 3.5Å
843	K	95.3	Very high	95.2	Very high	49 Å²	49	60.2 Å²	60.2	21%	0.213	29%	0.29	C	S	.	.			trans	-74.9	154	179.3	-60.6	-55.9	-168.7	177.2	0	112.7	E287 K773 P839 T841	E287-K843 WeakPolarHBondContact OE1-CD 3.28Å; E287-K843 IonicContact OE1-NZ 3.88Å; E287-K843 VanDerWaalsContact OE2-CA 3.28Å; E287-K843 WeakPolarHBondContact OE2-CA 3.44Å; E287-K843 WeakPolarHBondContact OE2-CD 3.31Å; K773-K843 WeakPolarHBondContact CE-O 3.46Å; K773-K843 PolarHBondContact NZ-O 3.42Å; P839-K843 WeakPolarHBondContact O-CE 3.4Å; P839-K843 PolarHBondContact O-NZ 3.09Å; T841-K843 PolarHBondContact O-N 3.41Å; T841-K843 VanDerWaalsContact O-N 3.09Å
844	L	95.3	Very high	95.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-64.3	-50.3	173.7	-177.3	66.7	0	0	0	110.1	I284 E287 F769 L772 K773 I776	I284-L844 HydrophobicContact CD1-CD2 3.94Å; E287-L844 HydrophobicContact CB-CB 3.73Å; E287-L844 HydrophobicContact CB-CD2 4.14Å; E287-L844 HydrophobicContact CG-CB 4.08Å; E287-L844 PolarHBondContact OE2-N 3.44Å; F769-L844 HydrophobicContact CD2-CD1 4.05Å; F769-L844 HydrophobicContact CE2-CB 4.01Å; F769-L844 HydrophobicContact CE2-CD1 3.88Å; F769-L844 HydrophobicContact CZ-CB 4.22Å; F769-L844 HydrophobicContact CZ-CD1 4.28Å; L772-L844 HydrophobicContact CB-CD1 3.97Å; K773-L844 VanDerWaalsContact CE-O 3.25Å; K773-L844 WeakPolarHBondContact CE-O 3.24Å; K773-L844 HydrophobicContact CG-CD1 3.82Å; K773-L844 WeakPolarHBondContact CG-O 3.27Å; I776-L844 HydrophobicContact CD1-CD1 4.24Å; I776-L844 HydrophobicContact CD1-CD2 3.62Å; I776-L844 HydrophobicContact CD1-CG 3.82Å
845	V	95.6	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-115	118.8	172.3	-177.7	0	0	0	0	108.7	H290 F291 I776 L849 I850	H290-V845 PolarHBondContact CE1-O 3.35Å; F291-V845 HydrophobicContact CB-CB 4.16Å; F291-V845 HydrophobicContact CB-CG2 3.95Å; F291-V845 HydrophobicContact CD2-CB 3.94Å; F291-V845 HydrophobicContact CD2-CG1 4.01Å; F291-V845 HydrophobicContact CD2-CG2 3.52Å; F291-V845 HydrophobicContact CE2-CG2 4.24Å; F291-V845 HydrophobicContact CG-CB 4.41Å; F291-V845 HydrophobicContact CG-CG2 3.87Å; I776-V845 HydrophobicContact CD1-CG2 4.3Å; I776-V845 HydrophobicContact CG2-CG2 3.8Å; V845-L849 HydrophobicContact CG1-CD2 4.34Å; V845-L849 HydrophobicContact CG2-CD1 4.47Å; V845-I850 HydrophobicContact CG1-CD1 3.92Å; V845-I850 HydrophobicContact CG1-CG1 4.26Å
846	N	94.3	Very high	95.4	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.139	25%	0.249	C	C	.	.			trans	-121	169.4	179.1	59.1	26.9	0	0	0	110.2	R848 L849 I850 Y1023	N846-R848 PolarHBondContact O-N 3.39Å; N846-R848 VanDerWaalsContact O-N 3.16Å; N846-R848 WeakPolarHBondContact OD1-CB 3.49Å; N846-R848 PolarHBondContact OD1-N 3.1Å; N846-L849 WeakPolarHBondContact O-CB 3.49Å; N846-L849 PolarHBondContact O-N 2.97Å; N846-L849 VanDerWaalsContact O-N 3.08Å; N846-L849 WeakPolarHBondContact OD1-CB 3.45Å; N846-L849 PolarHBondContact OD1-N 2.79Å; N846-I850 PolarHBondContact O-N 3.24Å; N846-Y1023 PolarHBondContact ND2-OXT 2.85Å
847	E	93.9	Very high	95.4	Very high	156 Å²	156	46.7 Å²	46.7	73%	0.729	24%	0.244	S	C	*	.	H	α-helix	trans	-56.4	-30.1	178.2	66	-167.5	178.6	0	0	113.3	I850 S851	E847-I850 PolarHBondContact O-N 3.48Å; E847-S851 VanDerWaalsContact O-CB 3.29Å; E847-S851 WeakPolarHBondContact O-CB 3.38Å; E847-S851 PolarHBondContact O-N 3.36Å
848	R	95.9	Very high	95.5	Very high	84 Å²	84	45.2 Å²	45.2	32%	0.317	24%	0.238	S	C	.	.	H	α-helix	trans	-68.8	-38.8	178.2	-55.2	176	-174.2	169.7	-0.8	111.7	N846 S851 M852 K1019 E1020 Y1022	N846-R848 PolarHBondContact O-N 3.39Å; N846-R848 VanDerWaalsContact O-N 3.16Å; N846-R848 WeakPolarHBondContact OD1-CB 3.49Å; N846-R848 PolarHBondContact OD1-N 3.1Å; R848-S851 PolarHBondContact O-N 2.83Å; R848-M852 PolarHBondContact O-N 3.35Å; R848-K1019 WeakPolarHBondContact CD-O 3.38Å; R848-K1019 PolarHBondContact NE-O 3.06Å; R848-K1019 PolarHBondContact NH2-O 3.32Å; R848-E1020 WeakPolarHBondContact CB-O 3.47Å; R848-Y1022 VanDerWaalsContact CD-O 3.27Å; R848-Y1022 WeakPolarHBondContact CD-O 3.36Å; R848-Y1022 PolarHBondContact NH1-O 3.42Å
849	L	97	Very high	95.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-48.2	175.8	-165.7	154.6	0	0	0	109.5	A777 L780 V845 N846 S851 M852 A853 Y1023	A777-L849 HydrophobicContact CB-CD1 4.26Å; A777-L849 HydrophobicContact CB-CD2 4.07Å; A777-L849 HydrophobicContact CB-CG 4.07Å; L780-L849 HydrophobicContact CD1-CD2 3.87Å; V845-L849 HydrophobicContact CG1-CD2 4.34Å; V845-L849 HydrophobicContact CG2-CD1 4.47Å; N846-L849 WeakPolarHBondContact O-CB 3.49Å; N846-L849 PolarHBondContact O-N 2.97Å; N846-L849 VanDerWaalsContact O-N 3.08Å; N846-L849 WeakPolarHBondContact OD1-CB 3.45Å; N846-L849 PolarHBondContact OD1-N 2.79Å; L849-S851 PolarHBondContact O-N 3.29Å; L849-M852 PolarHBondContact O-N 3.14Å; L849-A853 HydrophobicContact CD2-CB 4.44Å; L849-A853 WeakPolarHBondContact O-CB 3.12Å; L849-A853 PolarHBondContact O-N 3.44Å; L849-Y1023 HydrophobicContact CB-CG 4.25Å; L849-Y1023 HydrophobicContact CD1-CD2 4.06Å; L849-Y1023 HydrophobicContact CG-CD2 4.12Å; L849-Y1023 HydrophobicContact CG-CG 4.26Å
850	I	95.9	Very high	95.9	Very high	31 Å²	31	44.8 Å²	44.8	16%	0.159	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-42.5	176.9	-56.7	-57.9	0	0	0	110.9	I294 I295 L780 V845 N846 E847 M852 Y854 G855	I294-I850 HydrophobicContact CG2-CG1 4.4Å; I295-I850 HydrophobicContact CD1-CD1 4.29Å; L780-I850 HydrophobicContact CD1-CD1 4.15Å; V845-I850 HydrophobicContact CG1-CD1 3.92Å; V845-I850 HydrophobicContact CG1-CG1 4.26Å; N846-I850 PolarHBondContact O-N 3.24Å; E847-I850 PolarHBondContact O-N 3.48Å; I850-M852 VanDerWaalsContact C-N 3.31Å; I850-M852 PolarHBondContact O-N 3.03Å; I850-Y854 HydrophobicContact CG2-CD2 4.45Å; I850-Y854 HydrophobicContact CG2-CG 4.21Å; I850-Y854 WeakPolarHBondContact O-CA 3.29Å; I850-Y854 VanDerWaalsContact O-CB 3.3Å; I850-Y854 WeakPolarHBondContact O-CB 2.94Å; I850-Y854 PolarHBondContact O-N 3.41Å; I850-G855 PolarHBondContact O-N 3.14Å
851	S	96.4	Very high	96.2	Very high	47 Å²	47	37.3 Å²	37.3	33%	0.329	20%	0.2	S	C	.	.	H	α-helix	trans	-58.8	-41.5	176.3	179.3	0	0	0	0	112.5	E847 R848 L849 G855 Q856	E847-S851 VanDerWaalsContact O-CB 3.29Å; E847-S851 WeakPolarHBondContact O-CB 3.38Å; E847-S851 PolarHBondContact O-N 3.36Å; R848-S851 PolarHBondContact O-N 2.83Å; L849-S851 PolarHBondContact O-N 3.29Å; S851-G855 CarbonylContact O-C 3.56Å; S851-G855 WeakPolarHBondContact O-CA 3.23Å; S851-G855 PolarHBondContact O-N 2.76Å; S851-Q856 WeakPolarHBondContact O-CG 3.44Å; S851-Q856 PolarHBondContact O-N 3.36Å; S851-Q856 PolarHBondContact O-NE2 3.24Å; S851-Q856 VanDerWaalsContact O-NE2 3.16Å; S851-Q856 PolarHBondContact OG-NE2 3.13Å
852	M	97.3	Very high	96.5	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-72.3	-52.5	177	-80.2	-61.8	-56.8	0	0	112.6	R848 L849 I850 Q856 I857 T1021 Y1023	R848-M852 PolarHBondContact O-N 3.35Å; L849-M852 PolarHBondContact O-N 3.14Å; I850-M852 VanDerWaalsContact C-N 3.31Å; I850-M852 PolarHBondContact O-N 3.03Å; M852-Q856 WeakPolarHBondContact O-CB 3.22Å; M852-Q856 PolarHBondContact O-N 3.4Å; M852-Q856 PolarHBondContact SD-OE1 2.62Å; M852-I857 HydrophobicContact CE-CD1 4.32Å; M852-I857 HydrophobicContact CE-CG1 4.23Å; M852-I857 PolarHBondContact O-N 3.03Å; M852-T1021 WeakPolarHBondContact CG-O 3.43Å; M852-T1021 VanDerWaalsContact SD-CB 3.54Å; M852-T1021 HydrophobicContact SD-CG2 3.86Å; M852-Y1023 HydrophobicContact CB-CD1 4.08Å; M852-Y1023 HydrophobicContact CB-CE1 4.2Å; M852-Y1023 HydrophobicContact CG-CD1 3.92Å; M852-Y1023 HydrophobicContact CG-CE1 4.22Å
853	A	96.5	Very high	96.7	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.025	18%	0.181	C	C	.	.	I	π-helix	trans	-70.6	-62.7	-175.9	0	0	0	0	0	111	L780 T781 L849 G858	L780-A853 HydrophobicContact CB-CB 4.37Å; T781-A853 WeakPolarHBondContact OG1-CB 3.26Å; L849-A853 HydrophobicContact CD2-CB 4.44Å; L849-A853 WeakPolarHBondContact O-CB 3.12Å; L849-A853 PolarHBondContact O-N 3.44Å; A853-G858 WeakPolarHBondContact O-CA 3.47Å; A853-G858 PolarHBondContact O-N 2.89Å
854	Y	95.3	Very high	96.8	Very high	18 Å²	18	32.1 Å²	32.1	7%	0.071	17%	0.171	C	C	.	.	I	π-helix	trans	-75.2	-43.7	-176.5	-81.5	36	0	0	0	112.1	V298 L780 N783 I784 I850 M859	V298-Y854 HydrophobicContact CG1-CE2 4.19Å; L780-Y854 HydrophobicContact CB-CD1 4.37Å; L780-Y854 HydrophobicContact CB-CE1 3.83Å; L780-Y854 HydrophobicContact CD2-CE1 4.15Å; L780-Y854 HydrophobicContact CG-CE1 4.46Å; L780-Y854 WeakPolarHBondContact O-CD1 3.44Å; L780-Y854 WeakPolarHBondContact O-CE1 3.49Å; N783-Y854 HydrophobicContact CB-CE1 4.17Å; N783-Y854 PolarHBondContact ND2-OH 2.78Å; I784-Y854 HydrophobicContact CD1-CD1 4.4Å; I784-Y854 HydrophobicContact CD1-CD2 3.72Å; I784-Y854 HydrophobicContact CD1-CE2 4.32Å; I784-Y854 HydrophobicContact CD1-CG 3.75Å; I784-Y854 HydrophobicContact CG1-CD1 4.33Å; I784-Y854 HydrophobicContact CG1-CD2 4.5Å; I784-Y854 HydrophobicContact CG1-CG 4.07Å; I784-Y854 WeakPolarHBondContact CG1-O 3.48Å; I850-Y854 HydrophobicContact CG2-CD2 4.45Å; I850-Y854 HydrophobicContact CG2-CG 4.21Å; I850-Y854 WeakPolarHBondContact O-CA 3.29Å; I850-Y854 VanDerWaalsContact O-CB 3.3Å; I850-Y854 WeakPolarHBondContact O-CB 2.94Å; I850-Y854 PolarHBondContact O-N 3.41Å; Y854-M859 WeakPolarHBondContact O-CE 3.3Å
855	G	95.4	Very high	96.9	Very high	47 Å²	47	32 Å²	32	49%	0.485	17%	0.171	S	C	.	.	I	π-helix	trans	-80	-22.8	-170.4	0	0	0	0	0	115.1	I850 S851	I850-G855 PolarHBondContact O-N 3.14Å; S851-G855 CarbonylContact O-C 3.56Å; S851-G855 WeakPolarHBondContact O-CA 3.23Å; S851-G855 PolarHBondContact O-N 2.76Å
856	Q	98	Very high	97.1	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.182	17%	0.174	C	C	.	.	I	π-helix	trans	-128.1	-69.4	-168.6	-63.5	164.8	49	0	0	112.2	S851 M852 M859 I860 Y1001	S851-Q856 WeakPolarHBondContact O-CG 3.44Å; S851-Q856 PolarHBondContact O-N 3.36Å; S851-Q856 PolarHBondContact O-NE2 3.24Å; S851-Q856 VanDerWaalsContact O-NE2 3.16Å; S851-Q856 PolarHBondContact OG-NE2 3.13Å; M852-Q856 WeakPolarHBondContact O-CB 3.22Å; M852-Q856 PolarHBondContact O-N 3.4Å; M852-Q856 PolarHBondContact SD-OE1 2.62Å; Q856-M859 WeakPolarHBondContact O-CB 3.48Å; Q856-M859 PolarHBondContact O-N 3.03Å; Q856-I860 WeakPolarHBondContact O-CG1 3.49Å; Q856-I860 PolarHBondContact O-N 2.95Å; Q856-Y1001 PolarHBondContact OE1-OH 3.34Å
857	I	98.4	Very high	97.3	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.185	C	C	.	.	I	π-helix	trans	-68.6	-49.5	-172.1	-54.3	-56.8	0	0	0	110.6	T781 M852 M859 I860 Q861 I936 I998 Y1001	T781-I857 HydrophobicContact CG2-CB 3.72Å; T781-I857 HydrophobicContact CG2-CG2 3.54Å; M852-I857 HydrophobicContact CE-CD1 4.32Å; M852-I857 HydrophobicContact CE-CG1 4.23Å; M852-I857 PolarHBondContact O-N 3.03Å; I857-M859 PolarHBondContact O-N 2.95Å; I857-M859 VanDerWaalsContact O-N 3.11Å; I857-I860 WeakPolarHBondContact O-CB 3.5Å; I857-I860 PolarHBondContact O-N 2.76Å; I857-Q861 HydrophobicContact CG2-CG 4.47Å; I857-Q861 WeakPolarHBondContact O-CG 3.42Å; I857-Q861 PolarHBondContact O-N 3.48Å; I857-I936 HydrophobicContact CD1-CD1 3.97Å; I857-I936 HydrophobicContact CG1-CD1 4.13Å; I857-I936 HydrophobicContact CG2-CD1 4.32Å; I857-I998 HydrophobicContact CD1-CG2 4.4Å; I857-I998 HydrophobicContact CG2-CD1 4.16Å; I857-I998 HydrophobicContact CG2-CG1 4.19Å; I857-I998 HydrophobicContact CG2-CG2 3.78Å; I857-Y1001 HydrophobicContact CD1-CD1 3.67Å; I857-Y1001 HydrophobicContact CD1-CE1 3.94Å
858	G	97.9	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-29.3	177.6	0	0	0	0	0	112.3	T781 I784 A853 Q861 A862	T781-G858 WeakPolarHBondContact O-CA 3.25Å; I784-G858 VanDerWaalsContact CG2-C 3.41Å; I784-G858 VanDerWaalsContact CG2-O 3.24Å; I784-G858 WeakPolarHBondContact CG2-O 3.41Å; A853-G858 WeakPolarHBondContact O-CA 3.47Å; A853-G858 PolarHBondContact O-N 2.89Å; G858-Q861 WeakPolarHBondContact O-CB 3.49Å; G858-Q861 PolarHBondContact O-N 3.37Å; G858-A862 WeakPolarHBondContact O-CB 3.46Å; G858-A862 PolarHBondContact O-N 2.8Å
859	M	98.3	Very high	97.6	Very high	74 Å²	74	24.2 Å²	24.2	37%	0.365	14%	0.135	S	C	.	.	H	α-helix	trans	-71.1	-37.6	176.2	-134.5	47.6	54.7	0	0	112.5	I784 Y854 Q856 I857 Q861 A862 L863	I784-M859 HydrophobicContact CB-CE 4.28Å; I784-M859 HydrophobicContact CD1-CE 4.08Å; I784-M859 HydrophobicContact CG1-CE 4.06Å; I784-M859 HydrophobicContact CG2-CE 3.26Å; I784-M859 HydrophobicContact CG2-SD 3.74Å; Y854-M859 WeakPolarHBondContact O-CE 3.3Å; Q856-M859 WeakPolarHBondContact O-CB 3.48Å; Q856-M859 PolarHBondContact O-N 3.03Å; I857-M859 PolarHBondContact O-N 2.95Å; I857-M859 VanDerWaalsContact O-N 3.11Å; M859-Q861 VanDerWaalsContact C-N 3.33Å; M859-A862 PolarHBondContact O-N 3.12Å; M859-L863 WeakPolarHBondContact O-CG 3.26Å; M859-L863 PolarHBondContact O-N 3.22Å; M859-L863 VanDerWaalsContact O-N 3.14Å
860	I	98.5	Very high	97.6	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.138	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-37.8	172.4	-57.9	166.3	0	0	0	110.1	Q856 I857 L863 G864 Y994 L997 I998	Q856-I860 WeakPolarHBondContact O-CG1 3.49Å; Q856-I860 PolarHBondContact O-N 2.95Å; I857-I860 WeakPolarHBondContact O-CB 3.5Å; I857-I860 PolarHBondContact O-N 2.76Å; I860-L863 PolarHBondContact O-N 3.19Å; I860-G864 PolarHBondContact O-N 3.21Å; I860-Y994 HydrophobicContact CG2-CD1 4.1Å; I860-L997 HydrophobicContact CG2-CD2 4.06Å; I860-L997 HydrophobicContact CG2-CG 4.46Å; I860-I998 HydrophobicContact CB-CD1 4.29Å; I860-I998 HydrophobicContact CB-CG1 3.93Å; I860-I998 HydrophobicContact CD1-CG1 4.27Å; I860-I998 HydrophobicContact CG2-CD1 4.07Å; I860-I998 HydrophobicContact CG2-CG1 3.64Å
861	Q	98.5	Very high	97.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-46.1	175	-62.6	-171.1	-12.2	0	0	111.8	T781 P785 I857 G858 M859 L863 G864 G865 V929 I998	T781-Q861 PolarHBondContact O-OE1 3.4Å; P785-Q861 HydrophobicContact CB-CB 4.14Å; P785-Q861 HydrophobicContact CG-CB 3.78Å; I857-Q861 HydrophobicContact CG2-CG 4.47Å; I857-Q861 WeakPolarHBondContact O-CG 3.42Å; I857-Q861 PolarHBondContact O-N 3.48Å; G858-Q861 WeakPolarHBondContact O-CB 3.49Å; G858-Q861 PolarHBondContact O-N 3.37Å; M859-Q861 VanDerWaalsContact C-N 3.33Å; Q861-L863 VanDerWaalsContact C-N 3.34Å; Q861-L863 PolarHBondContact O-N 2.69Å; Q861-G864 WeakPolarHBondContact O-CA 3.38Å; Q861-G864 PolarHBondContact O-N 3.49Å; Q861-G864 VanDerWaalsContact O-N 3.08Å; Q861-G865 PolarHBondContact O-N 3.48Å; Q861-V929 HydrophobicContact CB-CB 4.48Å; Q861-V929 HydrophobicContact CB-CG2 3.68Å; Q861-V929 HydrophobicContact CG-CB 3.93Å; Q861-V929 HydrophobicContact CG-CG2 3.43Å; Q861-V929 VanDerWaalsContact CG-CG2 3.43Å; Q861-I998 HydrophobicContact CG-CD1 3.67Å
862	A	98.1	Very high	97.8	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.033	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-46.2	176.2	0	0	0	0	0	111.6	I784 P785 T788 G858 M859 G864 G865 F866	I784-A862 HydrophobicContact CG2-CB 4.12Å; P785-A862 HydrophobicContact CB-CB 4.32Å; T788-A862 HydrophobicContact CG2-CB 4.4Å; T788-A862 WeakPolarHBondContact OG1-CB 3.29Å; G858-A862 WeakPolarHBondContact O-CB 3.46Å; G858-A862 PolarHBondContact O-N 2.8Å; M859-A862 PolarHBondContact O-N 3.12Å; A862-G864 VanDerWaalsContact C-N 3.29Å; A862-G864 PolarHBondContact O-N 3.11Å; A862-G865 PolarHBondContact O-N 2.87Å; A862-F866 WeakPolarHBondContact O-CD2 3.34Å; A862-F866 PolarHBondContact O-N 3.17Å
863	L	98.3	Very high	97.8	Very high	104 Å²	104	25 Å²	25	55%	0.545	13%	0.134	S	C	.	.	H	α-helix	trans	-59.8	-38.8	175.8	-68.5	174.3	0	0	0	112.4	M859 I860 Q861 F867 Y994	M859-L863 WeakPolarHBondContact O-CG 3.26Å; M859-L863 PolarHBondContact O-N 3.22Å; M859-L863 VanDerWaalsContact O-N 3.14Å; I860-L863 PolarHBondContact O-N 3.19Å; Q861-L863 VanDerWaalsContact C-N 3.34Å; Q861-L863 PolarHBondContact O-N 2.69Å; L863-F867 VanDerWaalsContact O-CB 3.25Å; L863-F867 WeakPolarHBondContact O-CB 3.5Å; L863-F867 PolarHBondContact O-N 3.28Å; L863-Y994 HydrophobicContact CB-CD1 4.24Å; L863-Y994 HydrophobicContact CB-CE1 3.78Å
864	G	97.9	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-45	174.4	0	0	0	0	0	113	I860 Q861 A862 F867 T868	I860-G864 PolarHBondContact O-N 3.21Å; Q861-G864 WeakPolarHBondContact O-CA 3.38Å; Q861-G864 PolarHBondContact O-N 3.49Å; Q861-G864 VanDerWaalsContact O-N 3.08Å; A862-G864 VanDerWaalsContact C-N 3.29Å; A862-G864 PolarHBondContact O-N 3.11Å; G864-F867 PolarHBondContact O-N 3.18Å; G864-T868 PolarHBondContact O-N 3.29Å; G864-T868 VanDerWaalsContact O-N 3.15Å; G864-T868 PolarHBondContact O-OG1 2.9Å
865	G	97.8	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175.5	0	0	0	0	0	112.7	Q861 A862 F867 T868 Y869 F922	Q861-G865 PolarHBondContact O-N 3.48Å; A862-G865 PolarHBondContact O-N 2.87Å; G865-F867 VanDerWaalsContact C-N 3.31Å; G865-F867 PolarHBondContact O-N 2.94Å; G865-T868 PolarHBondContact O-N 3.28Å; G865-Y869 PolarHBondContact O-N 3.48Å; G865-F922 VanDerWaalsContact C-CD2 3.48Å; G865-F922 WeakPolarHBondContact O-CD2 3.43Å
866	F	98.4	Very high	97.9	Very high	14 Å²	14	29.6 Å²	29.6	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-36.7	176.5	-82.4	-69.4	0	0	0	112.6	P789 I792 P801 A862 Y869 F870 F922	P789-F866 HydrophobicContact CG-CZ 4.45Å; I792-F866 HydrophobicContact CB-CE1 4.03Å; I792-F866 HydrophobicContact CB-CZ 3.85Å; I792-F866 HydrophobicContact CD1-CD1 4.37Å; I792-F866 HydrophobicContact CD1-CD2 4.21Å; I792-F866 HydrophobicContact CD1-CE1 3.75Å; I792-F866 HydrophobicContact CD1-CE2 3.6Å; I792-F866 HydrophobicContact CD1-CZ 3.34Å; I792-F866 HydrophobicContact CG1-CE1 4.23Å; I792-F866 HydrophobicContact CG1-CE2 4.27Å; I792-F866 HydrophobicContact CG1-CZ 3.69Å; I792-F866 HydrophobicContact CG2-CE1 4.22Å; I792-F866 HydrophobicContact CG2-CZ 4.5Å; P801-F866 HydrophobicContact CB-CE1 4.17Å; P801-F866 HydrophobicContact CG-CD1 4.49Å; P801-F866 HydrophobicContact CG-CE1 3.71Å; P801-F866 HydrophobicContact CG-CZ 4.41Å; A862-F866 WeakPolarHBondContact O-CD2 3.34Å; A862-F866 PolarHBondContact O-N 3.17Å; F866-Y869 HydrophobicContact CD1-CD1 4.5Å; F866-Y869 WeakPolarHBondContact O-CB 3.12Å; F866-Y869 PolarHBondContact O-N 3.16Å; F866-F870 HydrophobicContact CB-CD2 4.48Å; F866-F870 HydrophobicContact CB-CE2 4.18Å; F866-F870 HydrophobicContact CD1-CE2 4.43Å; F866-F870 WeakPolarHBondContact O-CD2 3.47Å; F866-F870 WeakPolarHBondContact O-CG 3.49Å; F866-F870 PolarHBondContact O-N 2.75Å; F866-F922 HydrophobicContact CD1-CE2 4.35Å; F866-F922 HydrophobicContact CD2-CE2 4.41Å; F866-F922 HydrophobicContact CD2-CZ 4.43Å; F866-F922 HydrophobicContact CE2-CZ 4.49Å; F866-F922 HydrophobicContact CG-CE2 4.25Å
867	F	98.4	Very high	97.8	Very high	85 Å²	85	27.9 Å²	27.9	37%	0.373	14%	0.142	S	C	.	.	H	α-helix	trans	-59.8	-48.6	174.5	177.4	-102.6	0	0	0	111.3	L863 G864 G865 Y869 F870 V871 C990 Y994	L863-F867 VanDerWaalsContact O-CB 3.25Å; L863-F867 WeakPolarHBondContact O-CB 3.5Å; L863-F867 PolarHBondContact O-N 3.28Å; G864-F867 PolarHBondContact O-N 3.18Å; G865-F867 VanDerWaalsContact C-N 3.31Å; G865-F867 PolarHBondContact O-N 2.94Å; F867-Y869 VanDerWaalsContact C-N 3.34Å; F867-Y869 PolarHBondContact O-N 3.25Å; F867-F870 PolarHBondContact O-N 2.92Å; F867-V871 HydrophobicContact CD1-CG2 4.32Å; F867-V871 HydrophobicContact CD2-CG2 4.49Å; F867-V871 HydrophobicContact CE1-CG2 3.94Å; F867-V871 HydrophobicContact CE2-CG2 4.12Å; F867-V871 HydrophobicContact CZ-CG2 3.83Å; F867-V871 VanDerWaalsContact O-CG2 3.28Å; F867-V871 WeakPolarHBondContact O-CG2 3.37Å; F867-V871 PolarHBondContact O-N 2.77Å; F867-C990 HydrophobicContact CD1-CB 4.29Å; F867-C990 WeakPolarHBondContact CD1-O 3.26Å; F867-C990 HydrophobicContact CE1-CB 4.29Å; F867-Y994 HydrophobicContact CB-CE2 3.81Å; F867-Y994 AromaticContact CD1-CE2 3.88Å; F867-Y994 HydrophobicContact CD1-CE2 3.88Å; F867-Y994 AromaticContact CG-CE2 3.83Å; F867-Y994 HydrophobicContact CG-CE2 3.83Å
868	T	98	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-42.7	175.9	-55.6	0	0	0	0	111.8	G864 G865 F870 V871 I872 A921 S925 C990	G864-T868 PolarHBondContact O-N 3.29Å; G864-T868 VanDerWaalsContact O-N 3.15Å; G864-T868 PolarHBondContact O-OG1 2.9Å; G865-T868 PolarHBondContact O-N 3.28Å; T868-F870 PolarHBondContact O-N 2.73Å; T868-V871 PolarHBondContact O-N 3.25Å; T868-I872 HydrophobicContact CG2-CD1 3.97Å; T868-I872 HydrophobicContact CG2-CG1 4.49Å; T868-I872 WeakPolarHBondContact O-CG1 3.34Å; T868-I872 PolarHBondContact O-N 2.91Å; T868-A921 HydrophobicContact CG2-CB 3.75Å; T868-S925 WeakPolarHBondContact CB-OG 3.46Å; T868-S925 WeakPolarHBondContact CG2-OG 3.32Å; T868-S925 PolarHBondContact OG1-OG 3.41Å; T868-C990 HydrophobicContact CG2-CB 3.95Å; T868-C990 WeakPolarHBondContact OG1-CB 3.28Å
869	Y	98.2	Very high	97.6	Very high	2 Å²	2	31 Å²	31	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-54.8	-50.8	175.4	167	-95.5	0	0	0	112.1	I798 P799 P801 G865 F866 F867 I872 L873 L883 C918	I798-Y869 HydrophobicContact CD1-CE1 3.94Å; P799-Y869 WeakPolarHBondContact CD-OH 3.45Å; P799-Y869 PolarHBondContact O-OH 3.15Å; P801-Y869 HydrophobicContact CB-CD2 3.69Å; P801-Y869 HydrophobicContact CB-CE2 3.94Å; P801-Y869 HydrophobicContact CB-CG 4.1Å; P801-Y869 HydrophobicContact CG-CD2 4.3Å; P801-Y869 HydrophobicContact CG-CE2 4.11Å; G865-Y869 PolarHBondContact O-N 3.48Å; F866-Y869 HydrophobicContact CD1-CD1 4.5Å; F866-Y869 WeakPolarHBondContact O-CB 3.12Å; F866-Y869 PolarHBondContact O-N 3.16Å; F867-Y869 VanDerWaalsContact C-N 3.34Å; F867-Y869 PolarHBondContact O-N 3.25Å; Y869-I872 PolarHBondContact O-N 2.73Å; Y869-L873 HydrophobicContact CD1-CD1 4.18Å; Y869-L873 HydrophobicContact CD2-CD1 4.02Å; Y869-L873 HydrophobicContact CE1-CD1 3.59Å; Y869-L873 HydrophobicContact CE2-CD1 3.4Å; Y869-L873 VanDerWaalsContact CE2-CD1 3.4Å; Y869-L873 HydrophobicContact CG-CD1 4.35Å; Y869-L873 PolarHBondContact O-N 2.83Å; Y869-L873 VanDerWaalsContact O-N 3.15Å; Y869-L873 VanDerWaalsContact OH-CD1 3.29Å; Y869-L873 WeakPolarHBondContact OH-CD1 3.08Å; Y869-L883 HydrophobicContact CE1-CD1 4.05Å; Y869-C918 HydrophobicContact CD2-CB 3.92Å; Y869-C918 HydrophobicContact CE2-CB 4.39Å
870	F	98.1	Very high	97.5	Very high	68 Å²	68	30.3 Å²	30.3	30%	0.298	16%	0.159	S	C	.	.	H	α-helix	trans	-66.9	-37.1	179.1	-70.2	-53.6	0	0	0	113	F866 F867 T868 A874 P880 L883	F866-F870 HydrophobicContact CB-CD2 4.48Å; F866-F870 HydrophobicContact CB-CE2 4.18Å; F866-F870 HydrophobicContact CD1-CE2 4.43Å; F866-F870 WeakPolarHBondContact O-CD2 3.47Å; F866-F870 WeakPolarHBondContact O-CG 3.49Å; F866-F870 PolarHBondContact O-N 2.75Å; F867-F870 PolarHBondContact O-N 2.92Å; T868-F870 PolarHBondContact O-N 2.73Å; F870-A874 WeakPolarHBondContact O-CB 3.49Å; F870-A874 PolarHBondContact O-N 3.11Å; F870-P880 HydrophobicContact CB-CG 4.16Å; F870-P880 HydrophobicContact CD1-CB 3.89Å; F870-P880 HydrophobicContact CD1-CG 4.17Å; F870-P880 HydrophobicContact CE1-CB 4.31Å; F870-P880 HydrophobicContact CG-CB 4.4Å; F870-P880 HydrophobicContact CG-CG 4.36Å; F870-L883 HydrophobicContact CD1-CD1 3.75Å; F870-L883 HydrophobicContact CE1-CD1 3.86Å
871	V	98	Very high	97.2	Very high	33 Å²	33	36.4 Å²	36.4	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-46.8	176.3	167.7	0	0	0	0	110.7	F867 T868 A874 E875	F867-V871 HydrophobicContact CD1-CG2 4.32Å; F867-V871 HydrophobicContact CD2-CG2 4.49Å; F867-V871 HydrophobicContact CE1-CG2 3.94Å; F867-V871 HydrophobicContact CE2-CG2 4.12Å; F867-V871 HydrophobicContact CZ-CG2 3.83Å; F867-V871 VanDerWaalsContact O-CG2 3.28Å; F867-V871 WeakPolarHBondContact O-CG2 3.37Å; F867-V871 PolarHBondContact O-N 2.77Å; T868-V871 PolarHBondContact O-N 3.25Å; V871-A874 PolarHBondContact O-N 3.43Å; V871-E875 HydrophobicContact CG1-CG 4.47Å; V871-E875 WeakPolarHBondContact O-CB 3.18Å; V871-E875 WeakPolarHBondContact O-CG 3.48Å; V871-E875 PolarHBondContact O-N 3.01Å
872	I	97.4	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-45	-177.8	-68.5	175.5	0	0	0	111.1	T868 Y869 E875 N876 C918 A921 W987	T868-I872 HydrophobicContact CG2-CD1 3.97Å; T868-I872 HydrophobicContact CG2-CG1 4.49Å; T868-I872 WeakPolarHBondContact O-CG1 3.34Å; T868-I872 PolarHBondContact O-N 2.91Å; Y869-I872 PolarHBondContact O-N 2.73Å; I872-E875 PolarHBondContact O-N 2.99Å; I872-N876 PolarHBondContact O-N 3.48Å; I872-N876 VanDerWaalsContact O-N 3.12Å; I872-N876 PolarHBondContact O-ND2 3.46Å; I872-C918 VanDerWaalsContact CG2-SG 3.53Å; I872-A921 HydrophobicContact CD1-CB 3.04Å; I872-W987 HydrophobicContact CD1-CB 4.37Å; I872-W987 HydrophobicContact CD1-CD2 3.85Å; I872-W987 HydrophobicContact CD1-CE3 4.01Å; I872-W987 HydrophobicContact CD1-CG 4.04Å; I872-W987 HydrophobicContact CG1-CD2 3.81Å; I872-W987 HydrophobicContact CG1-CE3 4.37Å; I872-W987 HydrophobicContact CG1-CG 3.95Å; I872-W987 HydrophobicContact CG1-CZ2 4.22Å; I872-W987 HydrophobicContact CG2-CH2 4.3Å; I872-W987 HydrophobicContact CG2-CZ2 4.17Å
873	L	97.4	Very high	96.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-42.7	178.4	-76.6	168.5	0	0	0	111.7	Y869 E875 N876 G877 F878 L883 W890 V914	Y869-L873 HydrophobicContact CD1-CD1 4.18Å; Y869-L873 HydrophobicContact CD2-CD1 4.02Å; Y869-L873 HydrophobicContact CE1-CD1 3.59Å; Y869-L873 HydrophobicContact CE2-CD1 3.4Å; Y869-L873 VanDerWaalsContact CE2-CD1 3.4Å; Y869-L873 HydrophobicContact CG-CD1 4.35Å; Y869-L873 PolarHBondContact O-N 2.83Å; Y869-L873 VanDerWaalsContact O-N 3.15Å; Y869-L873 VanDerWaalsContact OH-CD1 3.29Å; Y869-L873 WeakPolarHBondContact OH-CD1 3.08Å; L873-E875 PolarHBondContact O-N 3.4Å; L873-N876 CarbonylContact O-C 3.15Å; L873-N876 PolarHBondContact O-N 3.32Å; L873-N876 VanDerWaalsContact O-N 3.14Å; L873-G877 PolarHBondContact O-N 2.85Å; L873-F878 CarbonylContact C-O 3.53Å; L873-F878 HydrophobicContact CB-CB 4.16Å; L873-F878 HydrophobicContact CD2-CB 4.35Å; L873-F878 HydrophobicContact CD2-CD2 4.47Å; L873-F878 PolarHBondContact O-N 3.26Å; L873-L883 HydrophobicContact CB-CD1 4.29Å; L873-L883 HydrophobicContact CD1-CD1 3.62Å; L873-L883 HydrophobicContact CD1-CD2 3.87Å; L873-L883 HydrophobicContact CD1-CG 4.42Å; L873-W890 HydrophobicContact CD2-CH2 3.96Å; L873-V914 HydrophobicContact CD2-CG1 3.85Å
874	A	97.4	Very high	96.7	Very high	26 Å²	26	40.1 Å²	40.1	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-42.7	177.5	0	0	0	0	0	112.3	F870 V871 N876 G877 F878 L879	F870-A874 WeakPolarHBondContact O-CB 3.49Å; F870-A874 PolarHBondContact O-N 3.11Å; V871-A874 PolarHBondContact O-N 3.43Å; A874-N876 PolarHBondContact O-N 3.47Å; A874-G877 PolarHBondContact O-N 3.42Å; A874-F878 WeakPolarHBondContact CA-O 3.12Å; A874-F878 PolarHBondContact N-O 2.98Å; A874-L879 HydrophobicContact CB-CD2 4.28Å
875	E	96.6	Very high	96.5	Very high	101 Å²	101	42 Å²	42	47%	0.472	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-25.6	175.5	-78	-174	-173.5	0	0	113.2	V871 I872 L873 K984 W987	V871-E875 HydrophobicContact CG1-CG 4.47Å; V871-E875 WeakPolarHBondContact O-CB 3.18Å; V871-E875 WeakPolarHBondContact O-CG 3.48Å; V871-E875 PolarHBondContact O-N 3.01Å; I872-E875 PolarHBondContact O-N 2.99Å; L873-E875 PolarHBondContact O-N 3.4Å; E875-K984 IonicContact OE2-NZ 3.31Å; E875-W987 PolarHBondContact OE2-NE1 2.91Å
876	N	96.5	Very high	96.3	Very high	38 Å²	38	42.6 Å²	42.6	20%	0.203	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	6.1	176.8	-70.7	-76.7	0	0	0	113.4	I872 L873 A874 W906 V914	I872-N876 PolarHBondContact O-N 3.48Å; I872-N876 VanDerWaalsContact O-N 3.12Å; I872-N876 PolarHBondContact O-ND2 3.46Å; L873-N876 CarbonylContact O-C 3.15Å; L873-N876 PolarHBondContact O-N 3.32Å; L873-N876 VanDerWaalsContact O-N 3.14Å; A874-N876 PolarHBondContact O-N 3.47Å; N876-W906 HydrophobicContact CB-CH2 4.46Å; N876-W906 WeakPolarHBondContact O-CZ2 3.49Å; N876-V914 HydrophobicContact CB-CG1 4.21Å; N876-V914 HydrophobicContact CB-CG2 4.46Å
877	G	94.9	Very high	96	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.1	-9.4	170.6	0	0	0	0	0	116.5	L873 A874 D900 S901	L873-G877 PolarHBondContact O-N 2.85Å; A874-G877 PolarHBondContact O-N 3.42Å; G877-D900 WeakPolarHBondContact O-CB 3.12Å; G877-S901 VanDerWaalsContact O-CB 3.29Å; G877-S901 WeakPolarHBondContact O-CB 3.47Å; G877-S901 PolarHBondContact O-N 2.81Å; G877-S901 PolarHBondContact O-OG 3.26Å
878	F	97.1	Very high	95.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.			trans	-101.8	95.2	-178.6	-63.4	-87.7	0	0	0	110.7	L873 A874 L883 L886 W890 V898 D900 W906	L873-F878 CarbonylContact C-O 3.53Å; L873-F878 HydrophobicContact CB-CB 4.16Å; L873-F878 HydrophobicContact CD2-CB 4.35Å; L873-F878 HydrophobicContact CD2-CD2 4.47Å; L873-F878 PolarHBondContact O-N 3.26Å; A874-F878 WeakPolarHBondContact CA-O 3.12Å; A874-F878 PolarHBondContact N-O 2.98Å; F878-L883 HydrophobicContact CB-CD2 3.8Å; F878-L886 HydrophobicContact CD1-CD2 3.83Å; F878-L886 HydrophobicContact CE1-CD2 4.16Å; F878-W890 AromaticContact CD1-CZ3 3.92Å; F878-W890 HydrophobicContact CD1-CZ3 3.92Å; F878-W890 HydrophobicContact CD2-CH2 4.32Å; F878-W890 HydrophobicContact CD2-CZ3 4.2Å; F878-W890 HydrophobicContact CE1-CE3 4.46Å; F878-W890 AromaticContact CE1-CZ3 3.69Å; F878-W890 HydrophobicContact CE1-CZ3 3.69Å; F878-W890 HydrophobicContact CE2-CH2 4.15Å; F878-W890 AromaticContact CE2-CZ3 3.98Å; F878-W890 HydrophobicContact CE2-CZ3 3.98Å; F878-W890 HydrophobicContact CG-CZ3 4.18Å; F878-W890 HydrophobicContact CZ-CH2 4.3Å; F878-W890 AromaticContact CZ-CZ3 3.71Å; F878-W890 HydrophobicContact CZ-CZ3 3.71Å; F878-V898 HydrophobicContact CE1-CG1 4.35Å; F878-D900 HydrophobicContact CD1-CB 3.92Å; F878-D900 HydrophobicContact CD2-CB 4.32Å; F878-D900 HydrophobicContact CE1-CB 3.65Å; F878-D900 HydrophobicContact CE2-CB 4.08Å; F878-D900 HydrophobicContact CG-CB 4.25Å; F878-D900 HydrophobicContact CZ-CB 3.74Å; F878-W906 AromaticContact CE2-CD1 3.97Å; F878-W906 AromaticContact CE2-CD2 3.87Å; F878-W906 HydrophobicContact CE2-CD2 3.87Å; F878-W906 AromaticContact CE2-CE2 3.77Å; F878-W906 HydrophobicContact CE2-CE3 4.42Å; F878-W906 HydrophobicContact CE2-CG 4.06Å; F878-W906 HydrophobicContact CE2-CZ2 4.29Å; F878-W906 AromaticContact CE2-NE1 3.79Å; F878-W906 HydrophobicContact CZ-CB 4.27Å; F878-W906 AromaticContact CZ-CD1 3.58Å; F878-W906 HydrophobicContact CZ-CD2 4.06Å; F878-W906 AromaticContact CZ-CG 3.73Å; F878-W906 HydrophobicContact CZ-CG 3.73Å; F878-W906 AromaticContact CZ-NE1 3.85Å
879	L	96.1	Very high	95.3	Very high	71 Å²	71	47.2 Å²	47.2	37%	0.372	26%	0.261	S	S	.	.			trans	-67.4	149	179.5	-64.8	176.6	0	0	0	111.1	A874 L881 H882 S901	A874-L879 HydrophobicContact CB-CD2 4.28Å; L879-L881 VanDerWaalsContact C-N 3.25Å; L879-L881 PolarHBondContact O-N 2.98Å; L879-H882 WeakPolarHBondContact O-CB 3.1Å; L879-H882 PolarHBondContact O-N 3.31Å; L879-S901 WeakPolarHBondContact CB-OG 3.15Å; L879-S901 PolarHBondContact N-OG 3.16Å
880	P	94.9	Very high	95.2	Very high	58 Å²	58	47.1 Å²	47.1	38%	0.377	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-55.6	-34	-172.2	-29.6	36.5	0	0	0	115.5	F870 H882 L883	F870-P880 HydrophobicContact CB-CG 4.16Å; F870-P880 HydrophobicContact CD1-CB 3.89Å; F870-P880 HydrophobicContact CD1-CG 4.17Å; F870-P880 HydrophobicContact CE1-CB 4.31Å; F870-P880 HydrophobicContact CG-CB 4.4Å; F870-P880 HydrophobicContact CG-CG 4.36Å; P880-H882 VanDerWaalsContact C-N 3.33Å; P880-L883 PolarHBondContact O-N 3.48Å
881	L	93.9	Very high	94.8	Very high	155 Å²	155	46.5 Å²	46.5	81%	0.812	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-70.5	-28.8	178	-71.5	170.4	0	0	0	113	L879 L883	L879-L881 VanDerWaalsContact C-N 3.25Å; L879-L881 PolarHBondContact O-N 2.98Å; L881-L883 VanDerWaalsContact C-N 3.28Å
882	H	93.8	Very high	94.3	Very high	76 Å²	76	47.8 Å²	47.8	35%	0.352	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-78.3	-13.9	179.4	-165.5	75.4	0	0	0	112.7	L879 P880 E899 S901	L879-H882 WeakPolarHBondContact O-CB 3.1Å; L879-H882 PolarHBondContact O-N 3.31Å; P880-H882 VanDerWaalsContact C-N 3.33Å; H882-E899 PolarHBondContact NE2-O 2.94Å; H882-S901 VanDerWaalsContact CB-OG 3.22Å; H882-S901 WeakPolarHBondContact CB-OG 3.34Å
883	L	95.1	Very high	93.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-76.5	-22.9	-178.8	-63.3	174.4	0	0	0	113.2	I798 P799 Y869 F870 L873 F878 P880 L881 G885 L886	I798-L883 HydrophobicContact CG2-CB 4.07Å; I798-L883 WeakPolarHBondContact CG2-O 3.32Å; P799-L883 HydrophobicContact CG-CD2 4.44Å; Y869-L883 HydrophobicContact CE1-CD1 4.05Å; F870-L883 HydrophobicContact CD1-CD1 3.75Å; F870-L883 HydrophobicContact CE1-CD1 3.86Å; L873-L883 HydrophobicContact CB-CD1 4.29Å; L873-L883 HydrophobicContact CD1-CD1 3.62Å; L873-L883 HydrophobicContact CD1-CD2 3.87Å; L873-L883 HydrophobicContact CD1-CG 4.42Å; F878-L883 HydrophobicContact CB-CD2 3.8Å; P880-L883 PolarHBondContact O-N 3.48Å; L881-L883 VanDerWaalsContact C-N 3.28Å; L883-G885 PolarHBondContact O-N 3.46Å; L883-L886 HydrophobicContact CD2-CD2 4.03Å; L883-L886 VanDerWaalsContact O-CB 3.23Å; L883-L886 WeakPolarHBondContact O-CB 3.41Å; L883-L886 PolarHBondContact O-N 2.71Å; L883-L886 VanDerWaalsContact O-N 3.09Å
884	L	94.9	Very high	93.5	Very high	111 Å²	111	62.8 Å²	62.8	58%	0.581	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	121	-175.3	-64.5	176.6	0	0	0	110.6	A796 I798 L886	A796-L884 HydrophobicContact CB-CD2 3.96Å; I798-L884 HydrophobicContact CG2-CD2 4.16Å; L884-L886 PolarHBondContact O-N 3.27Å
885	G	92.6	Very high	93.2	Very high	40 Å²	40	63.6 Å²	63.6	41%	0.412	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-5.2	-176	0	0	0	0	0	114.8	A796 N797 L883 R887	A796-G885 PolarHBondContact O-N 3.43Å; A796-G885 VanDerWaalsContact O-N 3.16Å; N797-G885 CarbonylContact O-C 3.42Å; N797-G885 VanDerWaalsContact O-C 3.27Å; N797-G885 WeakPolarHBondContact O-CA 3.22Å; N797-G885 PolarHBondContact O-N 2.98Å; N797-G885 VanDerWaalsContact O-N 3.14Å; L883-G885 PolarHBondContact O-N 3.46Å; G885-R887 PolarHBondContact O-N 3.01Å
886	L	93.9	Very high	93.2	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.068	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.2	-175.4	-168.9	63.1	0	0	0	112.6	N797 F878 L883 L884 V888 D889 W890 V898	N797-L886 PolarHBondContact O-N 3.38Å; F878-L886 HydrophobicContact CD1-CD2 3.83Å; F878-L886 HydrophobicContact CE1-CD2 4.16Å; L883-L886 HydrophobicContact CD2-CD2 4.03Å; L883-L886 VanDerWaalsContact O-CB 3.23Å; L883-L886 WeakPolarHBondContact O-CB 3.41Å; L883-L886 PolarHBondContact O-N 2.71Å; L883-L886 VanDerWaalsContact O-N 3.09Å; L884-L886 PolarHBondContact O-N 3.27Å; L886-V888 VanDerWaalsContact C-N 3.29Å; L886-V888 PolarHBondContact O-N 3.41Å; L886-D889 PolarHBondContact O-N 3.23Å; L886-W890 HydrophobicContact CD2-CE3 3.77Å; L886-W890 HydrophobicContact CD2-CZ3 4.1Å; L886-W890 HydrophobicContact CG-CE3 4.19Å; L886-W890 WeakPolarHBondContact O-CB 3.18Å; L886-W890 PolarHBondContact O-N 2.77Å; L886-V898 HydrophobicContact CD1-CG1 4.04Å
887	R	92.2	Very high	93.1	Very high	17 Å²	17	65 Å²	65	6%	0.064	34%	0.335	C	S	.	.	H	α-helix	trans	-52	-43.4	-176.8	-179.3	-169.4	163.4	-176.8	-6	113.6	Y315 F323 F793 N797 G885 D889 W890 D891	Y315-R887 PolarHBondContact OH-NH1 3.08Å; Y315-R887 VanDerWaalsContact OH-NH1 3.09Å; F323-R887 VanDerWaalsContact CZ-NH2 3.26Å; F793-R887 HydrophobicContact CE2-CG 3.85Å; F793-R887 VanDerWaalsContact CE2-NE 3.32Å; F793-R887 HydrophobicContact CZ-CG 4.38Å; N797-R887 VanDerWaalsContact C-CB 3.42Å; N797-R887 HydrophobicContact CB-CB 4.27Å; N797-R887 WeakPolarHBondContact O-CB 3.1Å; N797-R887 PolarHBondContact O-N 2.88Å; G885-R887 PolarHBondContact O-N 3.01Å; R887-D889 VanDerWaalsContact C-N 3.31Å; R887-D889 PolarHBondContact O-N 3.26Å; R887-W890 CarbonylContact O-C 3.58Å; R887-W890 WeakPolarHBondContact O-CA 2.96Å; R887-W890 WeakPolarHBondContact O-CB 3.09Å; R887-W890 PolarHBondContact O-N 3.23Å; R887-W890 VanDerWaalsContact O-N 3.08Å; R887-D891 WeakPolarHBondContact CG-OD2 3.15Å; R887-D891 IonicContact NE-OD2 2.71Å; R887-D891 PolarHBondContact NE-OD2 2.83Å; R887-D891 PolarHBondContact O-N 3.12Å
888	V	89.8	Confident	93.1	Very high	102 Å²	102	65.3 Å²	65.3	62%	0.618	34%	0.336	S	S	*	.	H	α-helix	trans	-58.2	-48.7	-176.7	178.4	0	0	0	0	110	L886 D892	L886-V888 VanDerWaalsContact C-N 3.29Å; L886-V888 PolarHBondContact O-N 3.41Å; V888-D892 PolarHBondContact O-N 3.49Å
889	D	93.1	Very high	93	Very high	76 Å²	76	71.1 Å²	71.1	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-70.6	-36.9	176.5	-60	-31.8	0	0	0	110.8	L886 R887 D892 I895 V898 R911	L886-D889 PolarHBondContact O-N 3.23Å; R887-D889 VanDerWaalsContact C-N 3.31Å; R887-D889 PolarHBondContact O-N 3.26Å; D889-D892 PolarHBondContact O-N 3.13Å; D889-I895 HydrophobicContact CB-CD1 4.31Å; D889-V898 HydrophobicContact CB-CG2 4.04Å; D889-R911 VanDerWaalsContact C-NH1 3.33Å; D889-R911 PolarHBondContact O-NH1 3.21Å; D889-R911 PolarHBondContact O-NH2 3.34Å
890	W	94.3	Very high	93	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-36.7	-177.9	-165.5	-84.8	0	0	0	114.9	P799 L873 F878 L886 R887 R911 E915	P799-W890 HydrophobicContact CB-CD2 3.98Å; P799-W890 HydrophobicContact CB-CG 4.03Å; P799-W890 HydrophobicContact CB-CZ2 4.3Å; P799-W890 HydrophobicContact CG-CB 4.26Å; P799-W890 HydrophobicContact CG-CD2 3.47Å; P799-W890 VanDerWaalsContact CG-CD2 3.47Å; P799-W890 HydrophobicContact CG-CE3 3.76Å; P799-W890 HydrophobicContact CG-CG 3.69Å; P799-W890 HydrophobicContact CG-CZ2 4.28Å; P799-W890 HydrophobicContact CG-CZ3 4.27Å; L873-W890 HydrophobicContact CD2-CH2 3.96Å; F878-W890 AromaticContact CD1-CZ3 3.92Å; F878-W890 HydrophobicContact CD1-CZ3 3.92Å; F878-W890 HydrophobicContact CD2-CH2 4.32Å; F878-W890 HydrophobicContact CD2-CZ3 4.2Å; F878-W890 HydrophobicContact CE1-CE3 4.46Å; F878-W890 AromaticContact CE1-CZ3 3.69Å; F878-W890 HydrophobicContact CE1-CZ3 3.69Å; F878-W890 HydrophobicContact CE2-CH2 4.15Å; F878-W890 AromaticContact CE2-CZ3 3.98Å; F878-W890 HydrophobicContact CE2-CZ3 3.98Å; F878-W890 HydrophobicContact CG-CZ3 4.18Å; F878-W890 HydrophobicContact CZ-CH2 4.3Å; F878-W890 AromaticContact CZ-CZ3 3.71Å; F878-W890 HydrophobicContact CZ-CZ3 3.71Å; L886-W890 HydrophobicContact CD2-CE3 3.77Å; L886-W890 HydrophobicContact CD2-CZ3 4.1Å; L886-W890 HydrophobicContact CG-CE3 4.19Å; L886-W890 WeakPolarHBondContact O-CB 3.18Å; L886-W890 PolarHBondContact O-N 2.77Å; R887-W890 CarbonylContact O-C 3.58Å; R887-W890 WeakPolarHBondContact O-CA 2.96Å; R887-W890 WeakPolarHBondContact O-CB 3.09Å; R887-W890 PolarHBondContact O-N 3.23Å; R887-W890 VanDerWaalsContact O-N 3.08Å; W890-R911 VanDerWaalsContact C-NH2 3.26Å; W890-R911 HydrophobicContact CD2-CB 4.46Å; W890-R911 HydrophobicContact CE3-CB 4.44Å; W890-R911 HydrophobicContact CH2-CB 3.78Å; W890-R911 HydrophobicContact CZ2-CB 3.76Å; W890-R911 HydrophobicContact CZ2-CG 4.42Å; W890-R911 VanDerWaalsContact CZ2-O 3.26Å; W890-R911 WeakPolarHBondContact CZ2-O 3.36Å; W890-R911 HydrophobicContact CZ3-CB 4.12Å; W890-R911 PolarHBondContact O-NE 3Å; W890-R911 PolarHBondContact O-NH1 2.89Å; W890-R911 PolarHBondContact O-NH2 3.16Å; W890-E915 VanDerWaalsContact CD1-OE2 3.28Å; W890-E915 HydrophobicContact CZ2-CB 4.1Å; W890-E915 PolarHBondContact NE1-OE2 3.07Å
891	D	89.7	Confident	93.1	Very high	56 Å²	56	67 Å²	67	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-90.5	-17	-178.8	-73.1	-22.2	0	0	0	112.5	R887 R893 K912	R887-D891 WeakPolarHBondContact CG-OD2 3.15Å; R887-D891 IonicContact NE-OD2 2.71Å; R887-D891 PolarHBondContact NE-OD2 2.83Å; R887-D891 PolarHBondContact O-N 3.12Å; D891-R893 PolarHBondContact O-N 3.4Å; D891-K912 IonicContact OD1-NZ 3.23Å; D891-K912 PolarHBondContact OD1-NZ 3.33Å
892	D	88.7	Confident	93.1	Very high	60 Å²	60	67.1 Å²	67.1	32%	0.321	33%	0.332	S	S	.	.			trans	-68.2	113.1	179.4	-167.7	-33.2	0	0	0	112.1	V888 D889 W894 I895 R911	V888-D892 PolarHBondContact O-N 3.49Å; D889-D892 PolarHBondContact O-N 3.13Å; D892-W894 PolarHBondContact O-N 3.34Å; D892-W894 WeakPolarHBondContact OD1-CB 3.27Å; D892-W894 PolarHBondContact OD1-N 3.17Å; D892-I895 HydrophobicContact CB-CB 4.4Å; D892-I895 HydrophobicContact CB-CD1 3.79Å; D892-I895 HydrophobicContact CB-CG1 3.92Å; D892-I895 PolarHBondContact O-N 3.25Å; D892-R911 PolarHBondContact O-NH2 3.33Å
893	R	87.1	Confident	93.1	Very high	99 Å²	99	65.5 Å²	65.5	37%	0.374	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.6	-179.6	-174.2	178.2	-84	-173.4	-4.3	113.7	E124 D891 Y908	E124-R893 IonicContact OE2-NH1 2.92Å; E124-R893 PolarHBondContact OE2-NH1 3.18Å; D891-R893 PolarHBondContact O-N 3.4Å; R893-Y908 HydrophobicContact CB-CD2 4.32Å; R893-Y908 HydrophobicContact CB-CE2 4.25Å; R893-Y908 HydrophobicContact CG-CD1 4.37Å; R893-Y908 HydrophobicContact CG-CE1 4.46Å; R893-Y908 HydrophobicContact CG-CG 4.41Å
894	W	90.4	Very high	93.2	Very high	216 Å²	216	70.4 Å²	70.4	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-24	-172.5	-50.3	106.1	0	0	0	112.8	D892 N896	D892-W894 PolarHBondContact O-N 3.34Å; D892-W894 WeakPolarHBondContact OD1-CB 3.27Å; D892-W894 PolarHBondContact OD1-N 3.17Å; W894-N896 PolarHBondContact O-N 3.45Å; W894-N896 PolarHBondContact O-ND2 2.97Å; W894-N896 VanDerWaalsContact O-ND2 3.11Å
895	I	92.4	Very high	93.2	Very high	44 Å²	44	71.6 Å²	71.6	23%	0.226	36%	0.362	C	S	.	.			trans	-80.4	112	177.3	-54.3	177	0	0	0	109.2	D889 D892 V898	D889-I895 HydrophobicContact CB-CD1 4.31Å; D892-I895 HydrophobicContact CB-CB 4.4Å; D892-I895 HydrophobicContact CB-CD1 3.79Å; D892-I895 HydrophobicContact CB-CG1 3.92Å; D892-I895 PolarHBondContact O-N 3.25Å; I895-V898 HydrophobicContact CB-CG2 4.36Å; I895-V898 HydrophobicContact CG2-CG2 3.49Å; I895-V898 VanDerWaalsContact CG2-CG2 3.49Å
896	N	94.6	Very high	93.4	Very high	77 Å²	77	71.6 Å²	71.6	41%	0.412	35%	0.349	S	S	.	.			trans	-115.7	14.2	-175.5	-77.9	-77.5	0	0	0	113.6	W894 W906 T907 Y908	W894-N896 PolarHBondContact O-N 3.45Å; W894-N896 PolarHBondContact O-ND2 2.97Å; W894-N896 VanDerWaalsContact O-ND2 3.11Å; N896-W906 CarbonylContact C-O 3.58Å; N896-W906 CarbonylContact O-C 3.45Å; N896-T907 HydrophobicContact CB-CG2 4.43Å; N896-T907 WeakPolarHBondContact O-CA 3.42Å; N896-T907 PolarHBondContact O-N 3.16Å; N896-Y908 PolarHBondContact OD1-N 2.83Å
897	D	94.7	Very high	93.6	Very high	92 Å²	92	73.3 Å²	73.3	49%	0.492	36%	0.361	S	S	.	.			trans	-138.6	32.2	-173	57.4	-28.6	0	0	0	112	E899 Q905 W906	D897-E899 PolarHBondContact O-N 3.17Å; D897-Q905 HydrophobicContact CB-CB 4.34Å; D897-Q905 HydrophobicContact CB-CG 4.33Å; D897-W906 PolarHBondContact N-O 2.95Å
898	V	96.1	Very high	93.6	Very high	8 Å²	8	73.8 Å²	73.8	5%	0.048	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	124.2	176.7	171.1	0	0	0	0	110.2	F878 L886 D889 I895 Q905 W906	F878-V898 HydrophobicContact CE1-CG1 4.35Å; L886-V898 HydrophobicContact CD1-CG1 4.04Å; D889-V898 HydrophobicContact CB-CG2 4.04Å; I895-V898 HydrophobicContact CB-CG2 4.36Å; I895-V898 HydrophobicContact CG2-CG2 3.49Å; I895-V898 VanDerWaalsContact CG2-CG2 3.49Å; V898-Q905 WeakPolarHBondContact O-CA 3.48Å; V898-W906 PolarHBondContact N-O 3.15Å; V898-W906 PolarHBondContact O-N 3.25Å
899	E	95.3	Very high	93.8	Very high	121 Å²	121	74.6 Å²	74.6	57%	0.565	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.7	-177.5	-164.4	177.2	-174.3	0	0	111	H882 D897 G903 Q904	H882-E899 PolarHBondContact NE2-O 2.94Å; D897-E899 PolarHBondContact O-N 3.17Å; E899-G903 WeakPolarHBondContact OE1-CA 3.37Å; E899-Q904 CarbonylContact C-O 3.6Å; E899-Q904 VanDerWaalsContact CA-O 3.3Å; E899-Q904 WeakPolarHBondContact CA-O 3.36Å
900	D	95.6	Very high	93.9	Very high	3 Å²	3	75.5 Å²	75.5	2%	0.016	36%	0.361	C	S	.	.			trans	-86.7	-179	172.1	77.7	8.1	0	0	0	112.2	G877 F878 Y902 G903 Q904 W906	G877-D900 WeakPolarHBondContact O-CB 3.12Å; F878-D900 HydrophobicContact CD1-CB 3.92Å; F878-D900 HydrophobicContact CD2-CB 4.32Å; F878-D900 HydrophobicContact CE1-CB 3.65Å; F878-D900 HydrophobicContact CE2-CB 4.08Å; F878-D900 HydrophobicContact CG-CB 4.25Å; F878-D900 HydrophobicContact CZ-CB 3.74Å; D900-Y902 PolarHBondContact O-N 3.14Å; D900-Y902 WeakPolarHBondContact OD1-CA 3.29Å; D900-Y902 PolarHBondContact OD1-N 2.93Å; D900-G903 PolarHBondContact O-N 3.3Å; D900-G903 PolarHBondContact OD1-N 3.44Å; D900-Q904 PolarHBondContact N-O 3.43Å; D900-Q904 PolarHBondContact OD1-N 3.28Å; D900-Q904 WeakPolarHBondContact OD2-CB 3.2Å; D900-Q904 PolarHBondContact OD2-NE2 2.79Å; D900-W906 PolarHBondContact OD2-NE1 3.09Å
901	S	96.3	Very high	93.9	Very high	39 Å²	39	75.5 Å²	75.5	27%	0.273	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.2	-178.2	-52.9	0	0	0	0	114.4	G877 L879 H882	G877-S901 VanDerWaalsContact O-CB 3.29Å; G877-S901 WeakPolarHBondContact O-CB 3.47Å; G877-S901 PolarHBondContact O-N 2.81Å; G877-S901 PolarHBondContact O-OG 3.26Å; L879-S901 WeakPolarHBondContact CB-OG 3.15Å; L879-S901 PolarHBondContact N-OG 3.16Å; H882-S901 VanDerWaalsContact CB-OG 3.22Å; H882-S901 WeakPolarHBondContact CB-OG 3.34Å
902	Y	95.7	Very high	94.1	Very high	158 Å²	158	73.4 Å²	73.4	62%	0.62	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	3.1	176.7	-63.2	-67.9	0	0	0	112.7	D900	D900-Y902 PolarHBondContact O-N 3.14Å; D900-Y902 WeakPolarHBondContact OD1-CA 3.29Å; D900-Y902 PolarHBondContact OD1-N 2.93Å
903	G	93.8	Very high	94.5	Very high	43 Å²	43	73.9 Å²	73.9	44%	0.443	35%	0.351	S	S	.	.	S	Bend	trans	82	17.9	179.8	0	0	0	0	0	114.3	E899 D900	E899-G903 WeakPolarHBondContact OE1-CA 3.37Å; D900-G903 PolarHBondContact O-N 3.3Å; D900-G903 PolarHBondContact OD1-N 3.44Å
904	Q	96	Very high	94.9	Very high	103 Å²	103	69.7 Å²	69.7	48%	0.481	34%	0.337	S	S	.	.			trans	-87.6	147.6	174.2	-52.1	173.6	97	0	0	110.4	E899 D900	E899-Q904 CarbonylContact C-O 3.6Å; E899-Q904 VanDerWaalsContact CA-O 3.3Å; E899-Q904 WeakPolarHBondContact CA-O 3.36Å; D900-Q904 PolarHBondContact N-O 3.43Å; D900-Q904 PolarHBondContact OD1-N 3.28Å; D900-Q904 WeakPolarHBondContact OD2-CB 3.2Å; D900-Q904 PolarHBondContact OD2-NE2 2.79Å
905	Q	95.8	Very high	95.2	Very high	136 Å²	136	59.9 Å²	59.9	64%	0.636	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	132	178.4	-69.1	-178.7	-30.6	0	0	111.1	D897 V898	D897-Q905 HydrophobicContact CB-CB 4.34Å; D897-Q905 HydrophobicContact CB-CG 4.33Å; V898-Q905 WeakPolarHBondContact O-CA 3.48Å
906	W	96.9	Very high	95.4	Very high	40 Å²	40	59.1 Å²	59.1	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.3	-176.1	-70.3	74.9	0	0	0	111.9	N876 F878 N896 D897 V898 D900 Q910 R911 V914	N876-W906 HydrophobicContact CB-CH2 4.46Å; N876-W906 WeakPolarHBondContact O-CZ2 3.49Å; F878-W906 AromaticContact CE2-CD1 3.97Å; F878-W906 AromaticContact CE2-CD2 3.87Å; F878-W906 HydrophobicContact CE2-CD2 3.87Å; F878-W906 AromaticContact CE2-CE2 3.77Å; F878-W906 HydrophobicContact CE2-CE3 4.42Å; F878-W906 HydrophobicContact CE2-CG 4.06Å; F878-W906 HydrophobicContact CE2-CZ2 4.29Å; F878-W906 AromaticContact CE2-NE1 3.79Å; F878-W906 HydrophobicContact CZ-CB 4.27Å; F878-W906 AromaticContact CZ-CD1 3.58Å; F878-W906 HydrophobicContact CZ-CD2 4.06Å; F878-W906 AromaticContact CZ-CG 3.73Å; F878-W906 HydrophobicContact CZ-CG 3.73Å; F878-W906 AromaticContact CZ-NE1 3.85Å; N896-W906 CarbonylContact C-O 3.58Å; N896-W906 CarbonylContact O-C 3.45Å; D897-W906 PolarHBondContact N-O 2.95Å; V898-W906 PolarHBondContact N-O 3.15Å; V898-W906 PolarHBondContact O-N 3.25Å; D900-W906 PolarHBondContact OD2-NE1 3.09Å; W906-Q910 HydrophobicContact CE3-CB 3.67Å; W906-Q910 HydrophobicContact CZ3-CB 4.14Å; W906-R911 HydrophobicContact CB-CB 4.49Å; W906-V914 HydrophobicContact CH2-CG2 4.23Å; W906-V914 HydrophobicContact CZ3-CG2 3.73Å
907	T	96.8	Very high	95.5	Very high	50 Å²	50	56.1 Å²	56.1	31%	0.307	28%	0.28	S	S	.	.			trans	-73.5	163.4	171.9	63.2	0	0	0	0	112	N896 E909 Q910 R911	N896-T907 HydrophobicContact CB-CG2 4.43Å; N896-T907 WeakPolarHBondContact O-CA 3.42Å; N896-T907 PolarHBondContact O-N 3.16Å; T907-E909 VanDerWaalsContact C-N 3.34Å; T907-E909 PolarHBondContact O-N 3.14Å; T907-Q910 PolarHBondContact O-N 2.97Å; T907-Q910 WeakPolarHBondContact OG1-CB 3.44Å; T907-Q910 WeakPolarHBondContact OG1-CG 3.24Å; T907-Q910 PolarHBondContact OG1-N 3.08Å; T907-Q910 PolarHBondContact OG1-OE1 3.33Å; T907-R911 WeakPolarHBondContact O-CG 3.49Å; T907-R911 PolarHBondContact O-N 3.17Å; T907-R911 VanDerWaalsContact O-N 3.16Å
908	Y	93.4	Very high	95.7	Very high	26 Å²	26	51.8 Å²	51.8	10%	0.102	26%	0.256	C	S	.	.	H	α-helix	trans	-55.3	-46.2	179.1	178.1	-96.4	0	0	0	113	R893 N896 R911 K912	R893-Y908 HydrophobicContact CB-CD2 4.32Å; R893-Y908 HydrophobicContact CB-CE2 4.25Å; R893-Y908 HydrophobicContact CG-CD1 4.37Å; R893-Y908 HydrophobicContact CG-CE1 4.46Å; R893-Y908 HydrophobicContact CG-CG 4.41Å; N896-Y908 PolarHBondContact OD1-N 2.83Å; Y908-R911 WeakPolarHBondContact O-CG 3.21Å; Y908-K912 HydrophobicContact CD1-CG 4.22Å; Y908-K912 HydrophobicContact CD2-CG 4.22Å; Y908-K912 HydrophobicContact CE1-CG 3.81Å; Y908-K912 HydrophobicContact CE2-CD 4.26Å; Y908-K912 HydrophobicContact CE2-CG 3.84Å; Y908-K912 HydrophobicContact CG-CG 4.41Å; Y908-K912 WeakPolarHBondContact O-CB 3.49Å; Y908-K912 WeakPolarHBondContact O-CG 3.38Å; Y908-K912 PolarHBondContact O-N 3.41Å
909	E	92.5	Very high	95.7	Very high	120 Å²	120	51.9 Å²	51.9	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-68.8	-41	-179.1	-69.8	-60.4	142.3	0	0	112	T907 R911 K912 I913	T907-E909 VanDerWaalsContact C-N 3.34Å; T907-E909 PolarHBondContact O-N 3.14Å; E909-R911 PolarHBondContact O-N 3.4Å; E909-K912 PolarHBondContact O-N 3.48Å; E909-I913 VanDerWaalsContact O-CG1 3.28Å; E909-I913 WeakPolarHBondContact O-CG1 3.12Å; E909-I913 PolarHBondContact O-N 2.88Å
910	Q	95.1	Very high	95.8	Very high	94 Å²	94	46.1 Å²	46.1	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-45.9	-179.2	-73.3	167.8	-40.3	0	0	111.7	W906 T907 V914	W906-Q910 HydrophobicContact CE3-CB 3.67Å; W906-Q910 HydrophobicContact CZ3-CB 4.14Å; T907-Q910 PolarHBondContact O-N 2.97Å; T907-Q910 WeakPolarHBondContact OG1-CB 3.44Å; T907-Q910 WeakPolarHBondContact OG1-CG 3.24Å; T907-Q910 PolarHBondContact OG1-N 3.08Å; T907-Q910 PolarHBondContact OG1-OE1 3.33Å; Q910-V914 WeakPolarHBondContact O-CG2 3.18Å; Q910-V914 PolarHBondContact O-N 3.23Å
911	R	95.4	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.7	-35.5	178.5	68.9	-170.7	-177.6	165.6	3.8	112.5	D889 W890 D892 W906 T907 Y908 E909 I913 V914 E915	D889-R911 VanDerWaalsContact C-NH1 3.33Å; D889-R911 PolarHBondContact O-NH1 3.21Å; D889-R911 PolarHBondContact O-NH2 3.34Å; W890-R911 VanDerWaalsContact C-NH2 3.26Å; W890-R911 HydrophobicContact CD2-CB 4.46Å; W890-R911 HydrophobicContact CE3-CB 4.44Å; W890-R911 HydrophobicContact CH2-CB 3.78Å; W890-R911 HydrophobicContact CZ2-CB 3.76Å; W890-R911 HydrophobicContact CZ2-CG 4.42Å; W890-R911 VanDerWaalsContact CZ2-O 3.26Å; W890-R911 WeakPolarHBondContact CZ2-O 3.36Å; W890-R911 HydrophobicContact CZ3-CB 4.12Å; W890-R911 PolarHBondContact O-NE 3Å; W890-R911 PolarHBondContact O-NH1 2.89Å; W890-R911 PolarHBondContact O-NH2 3.16Å; D892-R911 PolarHBondContact O-NH2 3.33Å; W906-R911 HydrophobicContact CB-CB 4.49Å; T907-R911 WeakPolarHBondContact O-CG 3.49Å; T907-R911 PolarHBondContact O-N 3.17Å; T907-R911 VanDerWaalsContact O-N 3.16Å; Y908-R911 WeakPolarHBondContact O-CG 3.21Å; E909-R911 PolarHBondContact O-N 3.4Å; R911-I913 VanDerWaalsContact C-N 3.34Å; R911-I913 PolarHBondContact O-N 2.96Å; R911-V914 WeakPolarHBondContact O-CB 2.96Å; R911-V914 PolarHBondContact O-N 3.39Å; R911-V914 VanDerWaalsContact O-N 3.12Å; R911-E915 PolarHBondContact O-N 3.49Å
912	K	94.8	Very high	96	Very high	13 Å²	13	44.1 Å²	44.1	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-33.6	175.9	-71.9	-64.8	176.8	-175.5	0	112.2	D891 Y908 E909 V914 E915 F916	D891-K912 IonicContact OD1-NZ 3.23Å; D891-K912 PolarHBondContact OD1-NZ 3.33Å; Y908-K912 HydrophobicContact CD1-CG 4.22Å; Y908-K912 HydrophobicContact CD2-CG 4.22Å; Y908-K912 HydrophobicContact CE1-CG 3.81Å; Y908-K912 HydrophobicContact CE2-CD 4.26Å; Y908-K912 HydrophobicContact CE2-CG 3.84Å; Y908-K912 HydrophobicContact CG-CG 4.41Å; Y908-K912 WeakPolarHBondContact O-CB 3.49Å; Y908-K912 WeakPolarHBondContact O-CG 3.38Å; Y908-K912 PolarHBondContact O-N 3.41Å; E909-K912 PolarHBondContact O-N 3.48Å; K912-V914 VanDerWaalsContact C-N 3.32Å; K912-V914 PolarHBondContact O-N 3.46Å; K912-E915 WeakPolarHBondContact CD-OE2 3.36Å; K912-E915 WeakPolarHBondContact CE-OE2 3.45Å; K912-E915 IonicContact NZ-OE1 2.73Å; K912-E915 IonicContact NZ-OE2 3.49Å; K912-E915 PolarHBondContact NZ-OE2 2.99Å; K912-E915 PolarHBondContact O-N 3.19Å; K912-F916 HydrophobicContact CB-CD2 4.47Å; K912-F916 HydrophobicContact CB-CE2 4.03Å; K912-F916 WeakPolarHBondContact O-CD2 3.46Å; K912-F916 VanDerWaalsContact O-CG 3.3Å; K912-F916 WeakPolarHBondContact O-CG 3.49Å; K912-F916 PolarHBondContact O-N 3.1Å
913	I	95.8	Very high	96.1	Very high	69 Å²	69	36.6 Å²	36.6	35%	0.354	19%	0.186	S	C	.	.	H	α-helix	trans	-59.9	-44.1	168.9	-71.1	165.7	0	0	0	110.8	E909 R911 F916 T917 Y981	E909-I913 VanDerWaalsContact O-CG1 3.28Å; E909-I913 WeakPolarHBondContact O-CG1 3.12Å; E909-I913 PolarHBondContact O-N 2.88Å; R911-I913 VanDerWaalsContact C-N 3.34Å; R911-I913 PolarHBondContact O-N 2.96Å; I913-F916 PolarHBondContact O-N 2.73Å; I913-T917 WeakPolarHBondContact O-CB 3.46Å; I913-T917 PolarHBondContact O-N 3.04Å; I913-T917 PolarHBondContact O-OG1 3.48Å; I913-Y981 HydrophobicContact CB-CE1 4.42Å; I913-Y981 HydrophobicContact CG1-CE1 4.06Å; I913-Y981 HydrophobicContact CG2-CD1 4.04Å; I913-Y981 HydrophobicContact CG2-CE1 3.85Å
914	V	96.8	Very high	96.3	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-43.4	176.4	178.7	0	0	0	0	110.8	L873 N876 W906 Q910 R911 K912 T917 C918	L873-V914 HydrophobicContact CD2-CG1 3.85Å; N876-V914 HydrophobicContact CB-CG1 4.21Å; N876-V914 HydrophobicContact CB-CG2 4.46Å; W906-V914 HydrophobicContact CH2-CG2 4.23Å; W906-V914 HydrophobicContact CZ3-CG2 3.73Å; Q910-V914 WeakPolarHBondContact O-CG2 3.18Å; Q910-V914 PolarHBondContact O-N 3.23Å; R911-V914 WeakPolarHBondContact O-CB 2.96Å; R911-V914 PolarHBondContact O-N 3.39Å; R911-V914 VanDerWaalsContact O-N 3.12Å; K912-V914 VanDerWaalsContact C-N 3.32Å; K912-V914 PolarHBondContact O-N 3.46Å; V914-T917 CarbonylContact O-C 3.56Å; V914-T917 WeakPolarHBondContact O-CB 3.49Å; V914-T917 PolarHBondContact O-N 3Å; V914-C918 PolarHBondContact O-N 3.09Å; V914-C918 PolarHBondContact O-SG 2.95Å; V914-C918 VanDerWaalsContact O-SG 3.34Å
915	E	96.4	Very high	96.4	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-49.7	175.9	-172.8	-172.2	144.4	0	0	112.2	W890 R911 K912 T917 C918 H919	W890-E915 VanDerWaalsContact CD1-OE2 3.28Å; W890-E915 HydrophobicContact CZ2-CB 4.1Å; W890-E915 PolarHBondContact NE1-OE2 3.07Å; R911-E915 PolarHBondContact O-N 3.49Å; K912-E915 WeakPolarHBondContact CD-OE2 3.36Å; K912-E915 WeakPolarHBondContact CE-OE2 3.45Å; K912-E915 IonicContact NZ-OE1 2.73Å; K912-E915 IonicContact NZ-OE2 3.49Å; K912-E915 PolarHBondContact NZ-OE2 2.99Å; K912-E915 PolarHBondContact O-N 3.19Å; E915-T917 VanDerWaalsContact C-N 3.25Å; E915-T917 PolarHBondContact O-N 2.81Å; E915-C918 CarbonylContact O-C 3.46Å; E915-C918 WeakPolarHBondContact O-CA 3.44Å; E915-C918 WeakPolarHBondContact O-CB 3.25Å; E915-C918 PolarHBondContact O-N 3.08Å; E915-H919 PolarHBondContact O-CD2 3.42Å; E915-H919 VanDerWaalsContact O-CD2 3.24Å; E915-H919 PolarHBondContact O-N 3.4Å; E915-H919 IonicContact OE1-CE1 3.13Å; E915-H919 IonicContact OE1-NE2 3.95Å
916	F	96.1	Very high	96.6	Very high	29 Å²	29	23.4 Å²	23.4	13%	0.127	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-28.7	177.8	-64.5	-43	0	0	0	112.5	K912 I913 H919 T920 R979 Y981	K912-F916 HydrophobicContact CB-CD2 4.47Å; K912-F916 HydrophobicContact CB-CE2 4.03Å; K912-F916 WeakPolarHBondContact O-CD2 3.46Å; K912-F916 VanDerWaalsContact O-CG 3.3Å; K912-F916 WeakPolarHBondContact O-CG 3.49Å; K912-F916 PolarHBondContact O-N 3.1Å; I913-F916 PolarHBondContact O-N 2.73Å; F916-H919 AromaticContact CD1-CE1 3.85Å; F916-H919 AromaticContact CD1-ND1 3.63Å; F916-H919 PolarHBondContact O-N 2.69Å; F916-T920 PolarHBondContact O-N 3.13Å; F916-T920 PolarHBondContact O-OG1 3.26Å; F916-R979 HydrophobicContact CB-CB 4.42Å; F916-R979 HydrophobicContact CD1-CB 4Å; F916-R979 HydrophobicContact CD2-CB 4.38Å; F916-R979 HydrophobicContact CE1-CB 4.43Å; F916-R979 VanDerWaalsContact CE1-CD 3.5Å; F916-R979 HydrophobicContact CG-CB 4.02Å; F916-R979 VanDerWaalsContact CZ-CD 3.46Å; F916-Y981 HydrophobicContact CB-CD2 3.48Å; F916-Y981 VanDerWaalsContact CB-CD2 3.48Å; F916-Y981 HydrophobicContact CB-CE2 3.43Å; F916-Y981 VanDerWaalsContact CB-CE2 3.43Å; F916-Y981 AromaticContact CD2-CE2 3.93Å; F916-Y981 HydrophobicContact CD2-CE2 3.93Å; F916-Y981 HydrophobicContact CG-CE2 4.08Å
917	T	97.1	Very high	96.6	Very high	14 Å²	14	21.5 Å²	21.5	9%	0.086	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-39.9	168.9	-56.4	0	0	0	0	111.1	I913 V914 E915 T920 A921 Y981 L983 W987	I913-T917 WeakPolarHBondContact O-CB 3.46Å; I913-T917 PolarHBondContact O-N 3.04Å; I913-T917 PolarHBondContact O-OG1 3.48Å; V914-T917 CarbonylContact O-C 3.56Å; V914-T917 WeakPolarHBondContact O-CB 3.49Å; V914-T917 PolarHBondContact O-N 3Å; E915-T917 VanDerWaalsContact C-N 3.25Å; E915-T917 PolarHBondContact O-N 2.81Å; T917-T920 PolarHBondContact O-N 2.57Å; T917-A921 WeakPolarHBondContact O-CB 3.04Å; T917-A921 PolarHBondContact O-N 3.21Å; T917-Y981 WeakPolarHBondContact OG1-CB 3.4Å; T917-L983 HydrophobicContact CG2-CD2 4.1Å; T917-W987 HydrophobicContact CG2-CE3 4.2Å; T917-W987 HydrophobicContact CG2-CH2 3.87Å; T917-W987 HydrophobicContact CG2-CZ3 3.34Å
918	C	97.6	Very high	96.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-44.3	171.5	-69.2	0	0	0	0	111.7	Y869 I872 V914 E915 T920 A921 F922	Y869-C918 HydrophobicContact CD2-CB 3.92Å; Y869-C918 HydrophobicContact CE2-CB 4.39Å; I872-C918 VanDerWaalsContact CG2-SG 3.53Å; V914-C918 PolarHBondContact O-N 3.09Å; V914-C918 PolarHBondContact O-SG 2.95Å; V914-C918 VanDerWaalsContact O-SG 3.34Å; E915-C918 CarbonylContact O-C 3.46Å; E915-C918 WeakPolarHBondContact O-CA 3.44Å; E915-C918 WeakPolarHBondContact O-CB 3.25Å; E915-C918 PolarHBondContact O-N 3.08Å; C918-T920 VanDerWaalsContact C-N 3.29Å; C918-T920 PolarHBondContact O-N 2.85Å; C918-A921 PolarHBondContact O-N 3.24Å; C918-F922 WeakPolarHBondContact O-CB 3.35Å; C918-F922 PolarHBondContact O-N 3.44Å
919	H	97	Very high	97	Very high	10 Å²	10	18 Å²	18	5%	0.046	9%	0.087	C	C	.	.	H	α-helix	trans	-56.9	-45.6	175.4	-63.4	177.6	0	0	0	110.9	L800 P801 T806 E915 F916 A921 F922 F923	L800-H919 PolarHBondContact O-CD2 3.2Å; L800-H919 PolarHBondContact O-NE2 3.13Å; P801-H919 VanDerWaalsContact C-CD2 3.49Å; P801-H919 PolarHBondContact O-CD2 3.48Å; T806-H919 HydrophobicContact CG2-CB 4.15Å; E915-H919 PolarHBondContact O-CD2 3.42Å; E915-H919 VanDerWaalsContact O-CD2 3.24Å; E915-H919 PolarHBondContact O-N 3.4Å; E915-H919 IonicContact OE1-CE1 3.13Å; E915-H919 IonicContact OE1-NE2 3.95Å; F916-H919 AromaticContact CD1-CE1 3.85Å; F916-H919 AromaticContact CD1-ND1 3.63Å; F916-H919 PolarHBondContact O-N 2.69Å; H919-A921 PolarHBondContact O-N 2.94Å; H919-F922 PolarHBondContact O-N 3.44Å; H919-F923 WeakPolarHBondContact O-CB 3.29Å; H919-F923 PolarHBondContact O-N 3.37Å
920	T	97.8	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.8	-40	179.8	-50.3	0	0	0	0	111.8	F916 T917 C918 F923 V924 M980 Y981 L983	F916-T920 PolarHBondContact O-N 3.13Å; F916-T920 PolarHBondContact O-OG1 3.26Å; T917-T920 PolarHBondContact O-N 2.57Å; C918-T920 VanDerWaalsContact C-N 3.29Å; C918-T920 PolarHBondContact O-N 2.85Å; T920-F923 WeakPolarHBondContact O-CB 3.21Å; T920-V924 WeakPolarHBondContact O-CG2 3.39Å; T920-V924 PolarHBondContact O-N 3.47Å; T920-M980 HydrophobicContact CG2-CB 4.22Å; T920-M980 HydrophobicContact CG2-CE 4.31Å; T920-M980 VanDerWaalsContact OG1-CA 3.29Å; T920-M980 WeakPolarHBondContact OG1-CA 3.27Å; T920-Y981 VanDerWaalsContact CG2-O 3.31Å; T920-Y981 WeakPolarHBondContact CG2-O 3.41Å; T920-Y981 PolarHBondContact OG1-N 2.95Å; T920-L983 HydrophobicContact CG2-CD1 4.38Å; T920-L983 HydrophobicContact CG2-CD2 4.03Å; T920-L983 HydrophobicContact CG2-CG 4.14Å
921	A	97.6	Very high	97.4	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-74.2	-33.4	178.9	0	0	0	0	0	113.1	T868 I872 T917 C918 H919 V924 S925 L983	T868-A921 HydrophobicContact CG2-CB 3.75Å; I872-A921 HydrophobicContact CD1-CB 3.04Å; T917-A921 WeakPolarHBondContact O-CB 3.04Å; T917-A921 PolarHBondContact O-N 3.21Å; C918-A921 PolarHBondContact O-N 3.24Å; H919-A921 PolarHBondContact O-N 2.94Å; A921-V924 PolarHBondContact O-N 3.2Å; A921-S925 WeakPolarHBondContact O-CB 3.36Å; A921-S925 PolarHBondContact O-N 3.14Å; A921-S925 PolarHBondContact O-OG 3.08Å; A921-L983 HydrophobicContact CB-CD1 4.2Å; A921-L983 HydrophobicContact CB-CD2 3.76Å
922	F	98.3	Very high	97.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65	-45.7	172.3	-158.9	-62	0	0	0	109.6	P785 P789 P801 L802 G865 F866 C918 H919 V924 S925 I926	P785-F922 HydrophobicContact CB-CE1 4.17Å; P785-F922 WeakPolarHBondContact O-CE1 3.43Å; P789-F922 HydrophobicContact CG-CE1 4.03Å; P789-F922 HydrophobicContact CG-CE2 4.08Å; P789-F922 HydrophobicContact CG-CZ 3.65Å; P801-F922 HydrophobicContact CB-CD2 3.95Å; P801-F922 HydrophobicContact CB-CE2 3.98Å; L802-F922 HydrophobicContact CB-CD1 4.31Å; L802-F922 HydrophobicContact CB-CG 4.37Å; L802-F922 HydrophobicContact CD1-CB 3.99Å; L802-F922 HydrophobicContact CD1-CD1 3.98Å; L802-F922 HydrophobicContact CD1-CG 4.22Å; L802-F922 HydrophobicContact CD2-CD1 4.28Å; L802-F922 HydrophobicContact CG-CD1 4.42Å; G865-F922 VanDerWaalsContact C-CD2 3.48Å; G865-F922 WeakPolarHBondContact O-CD2 3.43Å; F866-F922 HydrophobicContact CD1-CE2 4.35Å; F866-F922 HydrophobicContact CD2-CE2 4.41Å; F866-F922 HydrophobicContact CD2-CZ 4.43Å; F866-F922 HydrophobicContact CE2-CZ 4.49Å; F866-F922 HydrophobicContact CG-CE2 4.25Å; C918-F922 WeakPolarHBondContact O-CB 3.35Å; C918-F922 PolarHBondContact O-N 3.44Å; H919-F922 PolarHBondContact O-N 3.44Å; F922-V924 PolarHBondContact O-N 3.21Å; F922-S925 WeakPolarHBondContact O-CA 3.36Å; F922-S925 VanDerWaalsContact O-CB 3.27Å; F922-S925 WeakPolarHBondContact O-CB 3Å; F922-S925 PolarHBondContact O-N 3.27Å; F922-I926 HydrophobicContact CD1-CD1 3.87Å; F922-I926 HydrophobicContact CD1-CG1 4.14Å; F922-I926 HydrophobicContact CE1-CD1 3.96Å; F922-I926 HydrophobicContact CE1-CG1 4.2Å; F922-I926 PolarHBondContact O-N 3.38Å
923	F	98.1	Very high	97.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-53.3	-51.2	170.5	161.3	-96.3	0	0	0	112.3	L802 T806 C809 I810 T814 H919 T920 S925 I926 V927 A965 L968 M980	L802-F923 HydrophobicContact CD1-CB 4.44Å; T806-F923 HydrophobicContact CG2-CB 4.43Å; C809-F923 HydrophobicContact CB-CD2 4.37Å; C809-F923 HydrophobicContact CB-CE2 3.91Å; I810-F923 HydrophobicContact CD1-CD2 4.01Å; I810-F923 HydrophobicContact CG1-CD2 3.49Å; I810-F923 VanDerWaalsContact CG1-CD2 3.49Å; I810-F923 HydrophobicContact CG1-CE2 3.73Å; T814-F923 HydrophobicContact CG2-CE2 3.9Å; T814-F923 HydrophobicContact CG2-CZ 3.59Å; H919-F923 WeakPolarHBondContact O-CB 3.29Å; H919-F923 PolarHBondContact O-N 3.37Å; T920-F923 WeakPolarHBondContact O-CB 3.21Å; F923-S925 VanDerWaalsContact C-N 3.25Å; F923-S925 PolarHBondContact O-N 3.11Å; F923-I926 WeakPolarHBondContact O-CB 3.25Å; F923-I926 PolarHBondContact O-N 2.8Å; F923-I926 VanDerWaalsContact O-N 3.14Å; F923-V927 HydrophobicContact CE2-CG2 4.42Å; F923-V927 HydrophobicContact CZ-CG2 4.24Å; F923-V927 PolarHBondContact O-N 3.18Å; F923-V927 VanDerWaalsContact O-N 3.14Å; F923-A965 HydrophobicContact CE1-CB 3.77Å; F923-A965 HydrophobicContact CZ-CB 4.06Å; F923-L968 HydrophobicContact CZ-CD1 4.08Å; F923-M980 HydrophobicContact CB-CE 4.35Å; F923-M980 HydrophobicContact CD1-CE 3.29Å; F923-M980 HydrophobicContact CD2-CE 4.16Å; F923-M980 HydrophobicContact CE1-CE 3.5Å; F923-M980 HydrophobicContact CE2-CE 4.34Å; F923-M980 HydrophobicContact CG-CE 3.66Å; F923-M980 HydrophobicContact CZ-CE 4.03Å
924	V	98.1	Very high	97.9	Very high	1 Å²	1	7 Å²	7	1%	0.006	3%	0.033	C	C	.	.	H	α-helix	trans	-63.5	-33.6	176.4	168.4	0	0	0	0	111.7	T920 A921 F922 I926 V927 V928 L983 W988	T920-V924 WeakPolarHBondContact O-CG2 3.39Å; T920-V924 PolarHBondContact O-N 3.47Å; A921-V924 PolarHBondContact O-N 3.2Å; F922-V924 PolarHBondContact O-N 3.21Å; V924-I926 VanDerWaalsContact C-N 3.31Å; V924-I926 PolarHBondContact O-N 2.86Å; V924-V927 PolarHBondContact O-N 2.78Å; V924-V928 HydrophobicContact CG1-CG2 4.34Å; V924-V928 WeakPolarHBondContact O-CG2 3.46Å; V924-V928 PolarHBondContact O-N 3.11Å; V924-L983 HydrophobicContact CB-CD1 3.84Å; V924-L983 HydrophobicContact CG1-CD1 4.22Å; V924-L983 HydrophobicContact CG2-CD1 3.57Å; V924-W988 HydrophobicContact CG1-CD2 3.66Å; V924-W988 HydrophobicContact CG1-CE3 3.46Å; V924-W988 VanDerWaalsContact CG1-CE3 3.46Å; V924-W988 HydrophobicContact CG1-CG 4.3Å; V924-W988 HydrophobicContact CG1-CH2 4.01Å; V924-W988 HydrophobicContact CG1-CZ2 4.18Å; V924-W988 HydrophobicContact CG1-CZ3 3.66Å; V924-W988 HydrophobicContact CG2-CH2 4.16Å; V924-W988 HydrophobicContact CG2-CZ2 4.12Å
925	S	98.4	Very high	97.9	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.021	4%	0.037	C	C	.	.	H	α-helix	trans	-62.8	-39.7	175.6	-61.4	0	0	0	0	111.7	T868 A921 F922 F923 V928 V929	T868-S925 WeakPolarHBondContact CB-OG 3.46Å; T868-S925 WeakPolarHBondContact CG2-OG 3.32Å; T868-S925 PolarHBondContact OG1-OG 3.41Å; A921-S925 WeakPolarHBondContact O-CB 3.36Å; A921-S925 PolarHBondContact O-N 3.14Å; A921-S925 PolarHBondContact O-OG 3.08Å; F922-S925 WeakPolarHBondContact O-CA 3.36Å; F922-S925 VanDerWaalsContact O-CB 3.27Å; F922-S925 WeakPolarHBondContact O-CB 3Å; F922-S925 PolarHBondContact O-N 3.27Å; F923-S925 VanDerWaalsContact C-N 3.25Å; F923-S925 PolarHBondContact O-N 3.11Å; S925-V928 PolarHBondContact O-N 3.05Å; S925-V929 WeakPolarHBondContact O-CG2 3.31Å; S925-V929 PolarHBondContact O-N 3.02Å; S925-V929 VanDerWaalsContact O-N 3.12Å
926	I	98.3	Very high	98	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.7	-49.8	173.5	-66	170.5	0	0	0	109.8	P785 E786 L802 I810 F922 F923 V924 V928 V929 Q930	P785-I926 HydrophobicContact CB-CD1 4.02Å; P785-I926 HydrophobicContact CB-CG1 3.95Å; P785-I926 HydrophobicContact CG-CD1 4.26Å; P785-I926 HydrophobicContact CG-CG1 4.14Å; E786-I926 HydrophobicContact CG-CD1 4.18Å; L802-I926 HydrophobicContact CD2-CD1 4.09Å; I810-I926 HydrophobicContact CD1-CB 4.22Å; I810-I926 HydrophobicContact CD1-CD1 3.46Å; I810-I926 VanDerWaalsContact CD1-CD1 3.46Å; I810-I926 HydrophobicContact CD1-CG1 4.42Å; I810-I926 HydrophobicContact CD1-CG2 4.08Å; I810-I926 HydrophobicContact CG2-CG2 4.31Å; F922-I926 HydrophobicContact CD1-CD1 3.87Å; F922-I926 HydrophobicContact CD1-CG1 4.14Å; F922-I926 HydrophobicContact CE1-CD1 3.96Å; F922-I926 HydrophobicContact CE1-CG1 4.2Å; F922-I926 PolarHBondContact O-N 3.38Å; F923-I926 WeakPolarHBondContact O-CB 3.25Å; F923-I926 PolarHBondContact O-N 2.8Å; F923-I926 VanDerWaalsContact O-N 3.14Å; V924-I926 VanDerWaalsContact C-N 3.31Å; V924-I926 PolarHBondContact O-N 2.86Å; I926-V928 VanDerWaalsContact C-N 3.31Å; I926-V928 PolarHBondContact O-N 3.45Å; I926-V929 WeakPolarHBondContact O-CG2 3.43Å; I926-V929 PolarHBondContact O-N 2.62Å; I926-V929 VanDerWaalsContact O-N 3.16Å; I926-Q930 HydrophobicContact CG2-CG 3.95Å; I926-Q930 WeakPolarHBondContact O-CB 3.2Å; I926-Q930 VanDerWaalsContact O-CG 3.27Å; I926-Q930 WeakPolarHBondContact O-CG 3.3Å; I926-Q930 PolarHBondContact O-N 2.71Å
927	V	98.3	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-55.7	-44.4	176.6	173.7	0	0	0	0	112.1	T814 F923 V924 V929 Q930 W931 E961 A965	T814-V927 HydrophobicContact CG2-CG2 4.03Å; F923-V927 HydrophobicContact CE2-CG2 4.42Å; F923-V927 HydrophobicContact CZ-CG2 4.24Å; F923-V927 PolarHBondContact O-N 3.18Å; F923-V927 VanDerWaalsContact O-N 3.14Å; V924-V927 PolarHBondContact O-N 2.78Å; V927-V929 PolarHBondContact O-N 2.64Å; V927-Q930 PolarHBondContact O-N 3.19Å; V927-W931 HydrophobicContact CG1-CZ2 4.46Å; V927-W931 PolarHBondContact O-N 3.02Å; V927-W931 VanDerWaalsContact O-N 3.13Å; V927-W931 PolarHBondContact O-NE1 2.89Å; V927-E961 HydrophobicContact CG1-CG 3.95Å; V927-A965 HydrophobicContact CG1-CB 4.24Å; V927-A965 HydrophobicContact CG2-CB 4.06Å
928	V	98.4	Very high	98.1	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.006	3%	0.027	C	C	.	.	H	α-helix	trans	-63.5	-38.6	180	170.1	0	0	0	0	112.6	V924 S925 I926 W931 A991 F992 S995	V924-V928 HydrophobicContact CG1-CG2 4.34Å; V924-V928 WeakPolarHBondContact O-CG2 3.46Å; V924-V928 PolarHBondContact O-N 3.11Å; S925-V928 PolarHBondContact O-N 3.05Å; I926-V928 VanDerWaalsContact C-N 3.31Å; I926-V928 PolarHBondContact O-N 3.45Å; V928-W931 HydrophobicContact CB-CE3 4.46Å; V928-W931 HydrophobicContact CB-CZ3 4.39Å; V928-W931 HydrophobicContact CG1-CE3 4.24Å; V928-W931 HydrophobicContact CG1-CZ3 4.15Å; V928-W931 HydrophobicContact CG2-CH2 3.86Å; V928-W931 HydrophobicContact CG2-CZ2 4.22Å; V928-W931 HydrophobicContact CG2-CZ3 4.03Å; V928-A991 HydrophobicContact CB-CB 4.1Å; V928-A991 HydrophobicContact CG1-CB 4Å; V928-F992 HydrophobicContact CG1-CB 4.46Å; V928-F992 HydrophobicContact CG1-CD2 4.12Å; V928-S995 WeakPolarHBondContact O-CB 3.49Å; V928-S995 PolarHBondContact O-OG 3.16Å
929	V	98.6	Very high	98.1	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.006	3%	0.027	C	C	.	.	H	α-helix	trans	-79.6	-28.5	176.8	-61.9	0	0	0	0	112.3	Q861 S925 I926 V927 W931 A932 D933 A991 I998	Q861-V929 HydrophobicContact CB-CB 4.48Å; Q861-V929 HydrophobicContact CB-CG2 3.68Å; Q861-V929 HydrophobicContact CG-CB 3.93Å; Q861-V929 HydrophobicContact CG-CG2 3.43Å; Q861-V929 VanDerWaalsContact CG-CG2 3.43Å; S925-V929 WeakPolarHBondContact O-CG2 3.31Å; S925-V929 PolarHBondContact O-N 3.02Å; S925-V929 VanDerWaalsContact O-N 3.12Å; I926-V929 WeakPolarHBondContact O-CG2 3.43Å; I926-V929 PolarHBondContact O-N 2.62Å; I926-V929 VanDerWaalsContact O-N 3.16Å; V927-V929 PolarHBondContact O-N 2.64Å; V929-W931 PolarHBondContact O-N 2.82Å; V929-A932 PolarHBondContact O-N 3.47Å; V929-A932 VanDerWaalsContact O-N 3.17Å; V929-D933 PolarHBondContact O-N 2.84Å; V929-A991 HydrophobicContact CG1-CB 4.3Å; V929-I998 HydrophobicContact CB-CD1 3.88Å; V929-I998 HydrophobicContact CG1-CD1 4.29Å
930	Q	98.4	Very high	98.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.3	-26	171.9	-75.4	-63.1	81	0	0	112.2	Y778 D815 I926 V927 A932 D933 L934	Y778-Q930 HydrophobicContact CE2-CB 4.14Å; Y778-Q930 HydrophobicContact CE2-CG 4.42Å; D815-Q930 PolarHBondContact OD2-NE2 2.9Å; I926-Q930 HydrophobicContact CG2-CG 3.95Å; I926-Q930 WeakPolarHBondContact O-CB 3.2Å; I926-Q930 VanDerWaalsContact O-CG 3.27Å; I926-Q930 WeakPolarHBondContact O-CG 3.3Å; I926-Q930 PolarHBondContact O-N 2.71Å; V927-Q930 PolarHBondContact O-N 3.19Å; Q930-A932 VanDerWaalsContact C-N 3.35Å; Q930-A932 PolarHBondContact O-N 2.71Å; Q930-D933 PolarHBondContact O-N 3.3Å; Q930-D933 PolarHBondContact OE1-OD2 3.4Å; Q930-L934 VanDerWaalsContact O-CB 3.29Å; Q930-L934 WeakPolarHBondContact O-CB 3.21Å; Q930-L934 PolarHBondContact O-N 3.48Å
931	W	98.4	Very high	98.1	Very high	58 Å²	58	8.9 Å²	8.9	22%	0.22	4%	0.039	C	C	.	.	H	α-helix	trans	-57.7	-47.1	169.9	-60.6	-16.8	0	0	0	112.6	V927 V928 V929 V935 L958 T962 F992	V927-W931 HydrophobicContact CG1-CZ2 4.46Å; V927-W931 PolarHBondContact O-N 3.02Å; V927-W931 VanDerWaalsContact O-N 3.13Å; V927-W931 PolarHBondContact O-NE1 2.89Å; V928-W931 HydrophobicContact CB-CE3 4.46Å; V928-W931 HydrophobicContact CB-CZ3 4.39Å; V928-W931 HydrophobicContact CG1-CE3 4.24Å; V928-W931 HydrophobicContact CG1-CZ3 4.15Å; V928-W931 HydrophobicContact CG2-CH2 3.86Å; V928-W931 HydrophobicContact CG2-CZ2 4.22Å; V928-W931 HydrophobicContact CG2-CZ3 4.03Å; V929-W931 PolarHBondContact O-N 2.82Å; W931-V935 VanDerWaalsContact O-CG2 3.26Å; W931-V935 WeakPolarHBondContact O-CG2 3.31Å; W931-V935 PolarHBondContact O-N 3.02Å; W931-L958 HydrophobicContact CB-CD2 4.05Å; W931-L958 HydrophobicContact CG-CD2 4.1Å; W931-T962 VanDerWaalsContact CE2-OG1 3.31Å; W931-T962 HydrophobicContact CH2-CG2 4.42Å; W931-T962 HydrophobicContact CZ2-CG2 3.69Å; W931-T962 WeakPolarHBondContact CZ2-OG1 3.33Å; W931-T962 PolarHBondContact NE1-OG1 2.95Å; W931-F992 HydrophobicContact CE3-CE2 4.44Å; W931-F992 HydrophobicContact CZ3-CD2 4.27Å; W931-F992 HydrophobicContact CZ3-CE2 4.01Å
932	A	98.4	Very high	98.1	Very high	7 Å²	7	10.3 Å²	10.3	6%	0.058	5%	0.047	C	C	.	.	H	α-helix	trans	-69.4	-41.7	176.2	0	0	0	0	0	110.5	V929 Q930 L934 V935 I936 S995 I998 F999	V929-A932 PolarHBondContact O-N 3.47Å; V929-A932 VanDerWaalsContact O-N 3.17Å; Q930-A932 VanDerWaalsContact C-N 3.35Å; Q930-A932 PolarHBondContact O-N 2.71Å; A932-L934 PolarHBondContact O-N 3.5Å; A932-V935 PolarHBondContact O-N 3.11Å; A932-V935 VanDerWaalsContact O-N 3.16Å; A932-I936 WeakPolarHBondContact O-CG1 3.31Å; A932-I936 WeakPolarHBondContact O-CG2 3.2Å; A932-I936 PolarHBondContact O-N 3.47Å; A932-S995 WeakPolarHBondContact CB-O 3.47Å; A932-S995 VanDerWaalsContact CB-OG 3.27Å; A932-S995 WeakPolarHBondContact CB-OG 3.35Å; A932-I998 HydrophobicContact CB-CB 4.15Å; A932-I998 HydrophobicContact CB-CG2 3.99Å; A932-F999 HydrophobicContact CB-CB 4.24Å
933	D	98.6	Very high	98.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-59.2	-45.4	179.4	-164.1	45.5	0	0	0	112.4	Y778 T781 V929 Q930 V935 I936 C937	Y778-D933 WeakPolarHBondContact CA-OD2 3.21Å; Y778-D933 HydrophobicContact CD2-CB 4.2Å; Y778-D933 VanDerWaalsContact CD2-OD2 3.31Å; Y778-D933 WeakPolarHBondContact CD2-OD2 3.42Å; Y778-D933 HydrophobicContact CE2-CB 4.37Å; T781-D933 WeakPolarHBondContact CB-OD2 3.33Å; V929-D933 PolarHBondContact O-N 2.84Å; Q930-D933 PolarHBondContact O-N 3.3Å; Q930-D933 PolarHBondContact OE1-OD2 3.4Å; D933-V935 VanDerWaalsContact C-N 3.3Å; D933-V935 PolarHBondContact O-N 2.96Å; D933-I936 WeakPolarHBondContact O-CG1 3.39Å; D933-I936 PolarHBondContact O-N 3.39Å; D933-C937 VanDerWaalsContact O-CB 3.22Å; D933-C937 WeakPolarHBondContact O-CB 3.42Å; D933-C937 PolarHBondContact O-N 3.38Å; D933-C937 PolarHBondContact O-SG 3.23Å
934	L	98.5	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-43.2	175.8	-175.6	63.8	0	0	0	111.6	Y778 P818 L822 Q930 A932 K938 L954 L958	Y778-L934 HydrophobicContact CD2-CB 4.16Å; Y778-L934 HydrophobicContact CD2-CD1 4.26Å; Y778-L934 HydrophobicContact CE2-CB 3.73Å; Y778-L934 HydrophobicContact CE2-CD1 4.15Å; P818-L934 HydrophobicContact CB-CD1 3.87Å; P818-L934 HydrophobicContact CB-CD2 3.85Å; P818-L934 HydrophobicContact CB-CG 4.41Å; L822-L934 HydrophobicContact CD1-CD1 3.91Å; L822-L934 HydrophobicContact CD2-CD1 4.03Å; L822-L934 HydrophobicContact CG-CD1 3.81Å; Q930-L934 VanDerWaalsContact O-CB 3.29Å; Q930-L934 WeakPolarHBondContact O-CB 3.21Å; Q930-L934 PolarHBondContact O-N 3.48Å; A932-L934 PolarHBondContact O-N 3.5Å; L934-K938 PolarHBondContact O-N 2.95Å; L934-K938 VanDerWaalsContact O-N 3.12Å; L934-L954 HydrophobicContact CD1-CD1 4.26Å; L934-L954 HydrophobicContact CD1-CG 4.22Å; L934-L954 HydrophobicContact CD2-CD2 3.77Å; L934-L954 HydrophobicContact CD2-CG 3.76Å; L934-L954 HydrophobicContact CG-CD1 4.14Å; L934-L954 HydrophobicContact CG-CD2 4.02Å; L934-L954 HydrophobicContact CG-CG 3.88Å; L934-L958 HydrophobicContact CB-CD2 4.45Å; L934-L958 HydrophobicContact CD2-CD1 4.45Å; L934-L958 HydrophobicContact CD2-CD2 3.51Å; L934-L958 HydrophobicContact CD2-CG 3.68Å
935	V	98.2	Very high	97.9	Very high	22 Å²	22	18.8 Å²	18.8	13%	0.133	9%	0.086	C	C	.	.	H	α-helix	trans	-68.4	-37.3	179.6	171.5	0	0	0	0	111.6	W931 A932 D933 K938 V944 M949 F999	W931-V935 VanDerWaalsContact O-CG2 3.26Å; W931-V935 WeakPolarHBondContact O-CG2 3.31Å; W931-V935 PolarHBondContact O-N 3.02Å; A932-V935 PolarHBondContact O-N 3.11Å; A932-V935 VanDerWaalsContact O-N 3.16Å; D933-V935 VanDerWaalsContact C-N 3.3Å; D933-V935 PolarHBondContact O-N 2.96Å; V935-K938 WeakPolarHBondContact O-CB 3.35Å; V935-V944 HydrophobicContact CG1-CG1 3.99Å; V935-V944 HydrophobicContact CG1-CG2 3.84Å; V935-M949 HydrophobicContact CG1-SD 4.4Å; V935-M949 HydrophobicContact CG2-CE 3.92Å; V935-M949 HydrophobicContact CG2-SD 4.42Å; V935-F999 HydrophobicContact CG1-CD2 4.05Å; V935-F999 HydrophobicContact CG1-CE2 3.9Å
936	I	98	Very high	97.8	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-77.7	-41	178.7	62.6	160	0	0	0	111.9	I857 A932 D933 K938 T939 I998 F999 D1002 K1006	I857-I936 HydrophobicContact CD1-CD1 3.97Å; I857-I936 HydrophobicContact CG1-CD1 4.13Å; I857-I936 HydrophobicContact CG2-CD1 4.32Å; A932-I936 WeakPolarHBondContact O-CG1 3.31Å; A932-I936 WeakPolarHBondContact O-CG2 3.2Å; A932-I936 PolarHBondContact O-N 3.47Å; D933-I936 WeakPolarHBondContact O-CG1 3.39Å; D933-I936 PolarHBondContact O-N 3.39Å; I936-K938 PolarHBondContact O-N 2.81Å; I936-T939 PolarHBondContact O-N 3.43Å; I936-I998 HydrophobicContact CD1-CG2 3.57Å; I936-I998 HydrophobicContact CG1-CG2 4.28Å; I936-F999 HydrophobicContact CG2-CD2 4.22Å; I936-D1002 HydrophobicContact CB-CB 3.86Å; I936-D1002 WeakPolarHBondContact CB-OD2 3.37Å; I936-D1002 HydrophobicContact CD1-CB 3.64Å; I936-D1002 HydrophobicContact CG1-CB 4.35Å; I936-D1002 HydrophobicContact CG2-CB 3.79Å; I936-K1006 PolarHBondContact O-NZ 3.45Å
937	C	98.2	Very high	97.6	Very high	4 Å²	4	26 Å²	26	3%	0.027	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-21	176.4	-77.6	0	0	0	0	112.3	K774 L822 D933 T939	K774-C937 WeakPolarHBondContact CB-O 3.49Å; K774-C937 VanDerWaalsContact CD-O 3.29Å; K774-C937 WeakPolarHBondContact CD-O 3.37Å; K774-C937 WeakPolarHBondContact CG-O 3.29Å; L822-C937 HydrophobicContact CD1-CB 4.49Å; D933-C937 VanDerWaalsContact O-CB 3.22Å; D933-C937 WeakPolarHBondContact O-CB 3.42Å; D933-C937 PolarHBondContact O-N 3.38Å; D933-C937 PolarHBondContact O-SG 3.23Å; C937-T939 PolarHBondContact O-N 2.8Å
938	K	97.8	Very high	97.5	Very high	5 Å²	5	27 Å²	27	2%	0.022	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-38.6	170.2	-165.5	-171.5	-179.5	-55.4	0	113.3	K774 E825 L934 V935 I936 G948 M949 L954	K774-K938 WeakPolarHBondContact CE-O 3.37Å; K774-K938 PolarHBondContact NZ-O 2.91Å; E825-K938 VanDerWaalsContact CD-NZ 3.27Å; E825-K938 HydrophobicContact CG-CG 3.99Å; E825-K938 WeakPolarHBondContact OE1-CE 3.35Å; E825-K938 VanDerWaalsContact OE1-CG 3.29Å; E825-K938 WeakPolarHBondContact OE1-CG 3.35Å; E825-K938 IonicContact OE1-NZ 3.56Å; E825-K938 PolarHBondContact OE1-NZ 2.84Å; E825-K938 IonicContact OE2-NZ 3.51Å; E825-K938 PolarHBondContact OE2-NZ 3.37Å; L934-K938 PolarHBondContact O-N 2.95Å; L934-K938 VanDerWaalsContact O-N 3.12Å; V935-K938 WeakPolarHBondContact O-CB 3.35Å; I936-K938 PolarHBondContact O-N 2.81Å; K938-G948 VanDerWaalsContact CE-O 3.24Å; K938-G948 WeakPolarHBondContact CE-O 3.23Å; K938-G948 PolarHBondContact NZ-O 2.83Å; K938-M949 HydrophobicContact CD-SD 3.88Å; K938-L954 HydrophobicContact CB-CD1 4.45Å; K938-L954 HydrophobicContact CD-CD1 4.32Å; K938-L954 HydrophobicContact CG-CD1 4.09Å
939	T	97.7	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.			trans	-131.3	125.9	-178.1	60.4	0	0	0	0	112.2	E828 I936 C937 N942 Q947 K1006	E828-T939 WeakPolarHBondContact OE1-CA 3.22Å; I936-T939 PolarHBondContact O-N 3.43Å; C937-T939 PolarHBondContact O-N 2.8Å; T939-N942 VanDerWaalsContact CB-O 3.25Å; T939-N942 WeakPolarHBondContact CB-O 3.46Å; T939-N942 HydrophobicContact CG2-CB 4.27Å; T939-N942 PolarHBondContact OG1-O 3.23Å; T939-Q947 HydrophobicContact CG2-CB 3.68Å; T939-Q947 HydrophobicContact CG2-CG 3.86Å; T939-K1006 VanDerWaalsContact O-CD 3.23Å; T939-K1006 WeakPolarHBondContact O-CD 3.44Å; T939-K1006 PolarHBondContact O-NZ 2.89Å; T939-K1006 PolarHBondContact OG1-NZ 3.5Å; T939-K1006 VanDerWaalsContact OG1-NZ 3.07Å
940	R	97.4	Very high	97.3	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.06	18%	0.18	C	C	.	.	S	Bend	trans	-82.9	-33.3	178.3	-73.9	165.5	56.1	-147.1	0.9	112.4	D770 K774 E828 Y1022 Y1023	D770-R940 VanDerWaalsContact CG-NH1 3.28Å; D770-R940 IonicContact OD1-CZ 3.78Å; D770-R940 IonicContact OD1-NH1 3.46Å; D770-R940 PolarHBondContact OD1-NH1 3.21Å; K774-R940 HydrophobicContact CG-CG 4.13Å; E828-R940 PolarHBondContact OE1-N 3.18Å; E828-R940 PolarHBondContact OE2-N 2.82Å; E828-R940 VanDerWaalsContact OE2-N 3.17Å; R940-Y1022 HydrophobicContact CB-CD2 4.48Å; R940-Y1022 HydrophobicContact CB-CE2 3.9Å; R940-Y1023 HydrophobicContact CG-CD2 4.27Å; R940-Y1023 HydrophobicContact CG-CE2 3.68Å; R940-Y1023 PolarHBondContact NE-O 3.33Å; R940-Y1023 PolarHBondContact NH2-O 2.84Å; R940-Y1023 PolarHBondContact NH2-OXT 2.77Å
941	R	96.8	Very high	97.2	Very high	63 Å²	63	39 Å²	39	24%	0.238	18%	0.184	C	C	.	.	S	Bend	trans	-123	-43.1	-178	-171.7	-179.6	-176.3	88.1	2.1	112.8	E828 I1009 R1010 E1018 Y1022	E828-R941 PolarHBondContact OE2-N 3.36Å; R941-I1009 HydrophobicContact CG-CG2 4.29Å; R941-I1009 VanDerWaalsContact NH1-CG2 3.34Å; R941-R1010 HydrophobicContact CG-CG 4.26Å; R941-R1010 WeakPolarHBondContact O-CD 3.22Å; R941-R1010 PolarHBondContact O-NH1 3.17Å; R941-E1018 IonicContact CZ-OE1 3.16Å; R941-E1018 IonicContact NH1-OE1 3.21Å; R941-E1018 PolarHBondContact NH1-OE1 3.47Å; R941-Y1022 HydrophobicContact CB-CE2 3.88Å
942	N	97.4	Very high	97.2	Very high	31 Å²	31	44.3 Å²	44.3	17%	0.166	21%	0.209	C	C	.	.	S	Bend	trans	-73.4	157.4	-175	-75.1	-3.7	0	0	0	112	E828 T939 Q947 K1006	E828-N942 HydrophobicContact CG-CB 4.46Å; E828-N942 PolarHBondContact O-ND2 3.24Å; E828-N942 PolarHBondContact OE2-N 3.07Å; T939-N942 VanDerWaalsContact CB-O 3.25Å; T939-N942 WeakPolarHBondContact CB-O 3.46Å; T939-N942 HydrophobicContact CG2-CB 4.27Å; T939-N942 PolarHBondContact OG1-O 3.23Å; N942-Q947 PolarHBondContact ND2-OE1 3.39Å; N942-Q947 VanDerWaalsContact ND2-OE1 3.16Å; N942-K1006 WeakPolarHBondContact O-CD 3.3Å; N942-K1006 WeakPolarHBondContact O-CE 3.46Å
943	S	97.9	Very high	97.2	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	22%	0.222	C	C	.	.			trans	-72	149.2	169.6	-174.8	0	0	0	0	110.5	F945 Q946 Q947 E1003	S943-F945 PolarHBondContact O-N 3.32Å; S943-F945 WeakPolarHBondContact OG-CD2 3.25Å; S943-F945 PolarHBondContact OG-N 3Å; S943-Q946 PolarHBondContact O-N 2.88Å; S943-Q947 PolarHBondContact O-N 2.81Å; S943-E1003 VanDerWaalsContact CA-OE1 3.25Å; S943-E1003 WeakPolarHBondContact CA-OE1 3.43Å; S943-E1003 WeakPolarHBondContact CB-OE1 3.48Å; S943-E1003 PolarHBondContact OG-OE1 3.29Å; S943-E1003 PolarHBondContact OG-OE2 3.41Å
944	V	96.8	Very high	97.1	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-57.7	-33.9	168	179.5	0	0	0	0	110.8	V935 Q946 G948 M949 F999 E1003	V935-V944 HydrophobicContact CG1-CG1 3.99Å; V935-V944 HydrophobicContact CG1-CG2 3.84Å; V944-Q946 VanDerWaalsContact C-N 3.34Å; V944-Q946 PolarHBondContact O-N 3.36Å; V944-G948 VanDerWaalsContact O-CA 3.27Å; V944-G948 WeakPolarHBondContact O-CA 3.36Å; V944-G948 PolarHBondContact O-N 2.71Å; V944-M949 HydrophobicContact CG1-CG 4.28Å; V944-M949 HydrophobicContact CG1-SD 4.2Å; V944-F999 HydrophobicContact CB-CE2 4.42Å; V944-F999 HydrophobicContact CG2-CE2 4.13Å; V944-E1003 PolarHBondContact N-OE2 3.2Å; V944-E1003 VanDerWaalsContact N-OE2 3.13Å
945	F	96.3	Very high	97.1	Very high	161 Å²	161	50 Å²	50	71%	0.706	24%	0.236	S	C	*	.	H	α-helix	trans	-73.9	-23.6	177.7	-55.2	-68	0	0	0	113.6	S943 F999	S943-F945 PolarHBondContact O-N 3.32Å; S943-F945 WeakPolarHBondContact OG-CD2 3.25Å; S943-F945 PolarHBondContact OG-N 3Å; F945-F999 HydrophobicContact CE2-CZ 4.37Å; F945-F999 HydrophobicContact CZ-CZ 4.1Å
946	Q	94.9	Very high	97.1	Very high	124 Å²	124	54.7 Å²	54.7	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-81.7	-46.7	175.8	-72.6	171.4	-29.8	0	0	111.1	S943 V944	S943-Q946 PolarHBondContact O-N 2.88Å; V944-Q946 VanDerWaalsContact C-N 3.34Å; V944-Q946 PolarHBondContact O-N 3.36Å
947	Q	95.5	Very high	97	Very high	31 Å²	31	54.6 Å²	54.6	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-75.8	-38.2	-179.1	-162.2	71.2	10.5	0	0	112	A827 T939 N942 S943	A827-Q947 PolarHBondContact O-NE2 2.91Å; T939-Q947 HydrophobicContact CG2-CB 3.68Å; T939-Q947 HydrophobicContact CG2-CG 3.86Å; N942-Q947 PolarHBondContact ND2-OE1 3.39Å; N942-Q947 VanDerWaalsContact ND2-OE1 3.16Å; S943-Q947 PolarHBondContact O-N 2.81Å
948	G	95.4	Very high	97	Very high	19 Å²	19	56 Å²	56	20%	0.196	26%	0.262	C	S	.	.			trans	76.6	156.7	-175.5	0	0	0	0	0	114.3	K938 V944 K950	K938-G948 VanDerWaalsContact CE-O 3.24Å; K938-G948 WeakPolarHBondContact CE-O 3.23Å; K938-G948 PolarHBondContact NZ-O 2.83Å; V944-G948 VanDerWaalsContact O-CA 3.27Å; V944-G948 WeakPolarHBondContact O-CA 3.36Å; V944-G948 PolarHBondContact O-N 2.71Å; G948-K950 VanDerWaalsContact C-N 3.3Å; G948-K950 PolarHBondContact O-N 3.44Å; G948-K950 VanDerWaalsContact O-N 3.1Å
949	M	96.6	Very high	97	Very high	72 Å²	72	63 Å²	63	36%	0.355	29%	0.293	S	S	.	.	S	Bend	trans	-85.2	66.3	174.8	-67.9	-62.6	-74.1	0	0	110.9	V935 K938 V944 L954 I955	V935-M949 HydrophobicContact CG1-SD 4.4Å; V935-M949 HydrophobicContact CG2-CE 3.92Å; V935-M949 HydrophobicContact CG2-SD 4.42Å; K938-M949 HydrophobicContact CD-SD 3.88Å; V944-M949 HydrophobicContact CG1-CG 4.28Å; V944-M949 HydrophobicContact CG1-SD 4.2Å; M949-L954 HydrophobicContact CE-CD2 3.69Å; M949-I955 HydrophobicContact CE-CG1 4.37Å; M949-I955 WeakPolarHBondContact O-CD1 3.35Å
950	K	96	Very high	97	Very high	166 Å²	166	65.7 Å²	65.7	72%	0.722	31%	0.305	S	S	*	.			trans	-97.3	-14.9	-178.5	-60.4	-179.1	-174.8	171.6	0	113.9	G948 K952	G948-K950 VanDerWaalsContact C-N 3.3Å; G948-K950 PolarHBondContact O-N 3.44Å; G948-K950 VanDerWaalsContact O-N 3.1Å; K950-K952 PolarHBondContact O-N 2.96Å; K950-K952 VanDerWaalsContact O-N 3.09Å
951	N	97.5	Very high	97	Very high	17 Å²	17	65 Å²	65	9%	0.091	30%	0.302	C	S	.	.			trans	-73.1	101.7	179.7	-176.2	-11.7	0	0	0	109.8	S821 E825 I953 L954 I955	S821-N951 PolarHBondContact O-ND2 3.47Å; E825-N951 WeakPolarHBondContact OE1-CB 3.47Å; E825-N951 PolarHBondContact OE1-ND2 2.94Å; N951-I953 VanDerWaalsContact C-N 3.31Å; N951-I953 PolarHBondContact O-N 3.46Å; N951-I953 PolarHBondContact OD1-N 3.14Å; N951-L954 HydrophobicContact CB-CB 3.9Å; N951-L954 PolarHBondContact O-N 3.33Å; N951-L954 PolarHBondContact OD1-N 2.74Å; N951-I955 WeakPolarHBondContact O-CG1 3.41Å; N951-I955 PolarHBondContact O-N 3.07Å; N951-I955 VanDerWaalsContact O-N 3.15Å
952	K	97.5	Very high	97.1	Very high	170 Å²	170	63.8 Å²	63.8	74%	0.739	30%	0.302	S	S	*	.	H	α-helix	trans	-66.9	-32.2	-176.8	-61.5	-176.6	-178.9	-178.8	0	112.8	K950 L954 F956	K950-K952 PolarHBondContact O-N 2.96Å; K950-K952 VanDerWaalsContact O-N 3.09Å; K952-L954 VanDerWaalsContact C-N 3.34Å; K952-F956 WeakPolarHBondContact O-CB 3.42Å; K952-F956 PolarHBondContact O-N 3.33Å
953	I	97.6	Very high	97.1	Very high	67 Å²	67	65.1 Å²	65.1	34%	0.344	32%	0.317	S	S	.	.	H	α-helix	trans	-70.6	-37.8	179.3	-52.1	-56.6	0	0	0	109.6	Y824 N951 F956 G957	Y824-I953 HydrophobicContact CD1-CG1 4.25Å; Y824-I953 HydrophobicContact CD2-CB 4.14Å; Y824-I953 HydrophobicContact CD2-CG1 4.04Å; Y824-I953 HydrophobicContact CD2-CG2 4.1Å; Y824-I953 HydrophobicContact CE1-CG1 4.38Å; Y824-I953 HydrophobicContact CE2-CB 4.5Å; Y824-I953 HydrophobicContact CE2-CG1 4.16Å; Y824-I953 HydrophobicContact CE2-CG2 4.16Å; Y824-I953 HydrophobicContact CG-CB 4.41Å; Y824-I953 HydrophobicContact CG-CG1 4.06Å; N951-I953 VanDerWaalsContact C-N 3.31Å; N951-I953 PolarHBondContact O-N 3.46Å; N951-I953 PolarHBondContact OD1-N 3.14Å; I953-F956 PolarHBondContact O-N 3.14Å; I953-G957 PolarHBondContact O-N 3.17Å
954	L	97.9	Very high	97.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-45.5	175.6	-173.5	160.2	0	0	0	111.9	S821 L822 L934 K938 M949 N951 K952 F956 G957 L958	S821-L954 VanDerWaalsContact OG-CA 3.3Å; S821-L954 WeakPolarHBondContact OG-CA 3.42Å; S821-L954 WeakPolarHBondContact OG-CB 3.33Å; L822-L954 HydrophobicContact CD2-CD1 4.04Å; L934-L954 HydrophobicContact CD1-CD1 4.26Å; L934-L954 HydrophobicContact CD1-CG 4.22Å; L934-L954 HydrophobicContact CD2-CD2 3.77Å; L934-L954 HydrophobicContact CD2-CG 3.76Å; L934-L954 HydrophobicContact CG-CD1 4.14Å; L934-L954 HydrophobicContact CG-CD2 4.02Å; L934-L954 HydrophobicContact CG-CG 3.88Å; K938-L954 HydrophobicContact CB-CD1 4.45Å; K938-L954 HydrophobicContact CD-CD1 4.32Å; K938-L954 HydrophobicContact CG-CD1 4.09Å; M949-L954 HydrophobicContact CE-CD2 3.69Å; N951-L954 HydrophobicContact CB-CB 3.9Å; N951-L954 PolarHBondContact O-N 3.33Å; N951-L954 PolarHBondContact OD1-N 2.74Å; K952-L954 VanDerWaalsContact C-N 3.34Å; L954-F956 VanDerWaalsContact C-N 3.31Å; L954-F956 PolarHBondContact O-N 3.15Å; L954-G957 WeakPolarHBondContact O-CA 3.44Å; L954-G957 PolarHBondContact O-N 3.31Å; L954-G957 VanDerWaalsContact O-N 3.13Å; L954-L958 HydrophobicContact CD2-CD1 4.13Å; L954-L958 PolarHBondContact O-N 3.04Å
955	I	97.9	Very high	97.1	Very high	59 Å²	59	66.4 Å²	66.4	30%	0.303	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-43.2	175.7	-65	166.6	0	0	0	110.7	M949 N951 G957 L958 F959	M949-I955 HydrophobicContact CE-CG1 4.37Å; M949-I955 WeakPolarHBondContact O-CD1 3.35Å; N951-I955 WeakPolarHBondContact O-CG1 3.41Å; N951-I955 PolarHBondContact O-N 3.07Å; N951-I955 VanDerWaalsContact O-N 3.15Å; I955-G957 VanDerWaalsContact C-N 3.31Å; I955-G957 PolarHBondContact O-N 3.43Å; I955-L958 PolarHBondContact O-N 3.44Å; I955-F959 HydrophobicContact CG2-CD2 4.03Å; I955-F959 HydrophobicContact CG2-CE2 3.8Å; I955-F959 VanDerWaalsContact O-CD2 3.25Å; I955-F959 WeakPolarHBondContact O-CD2 3.29Å; I955-F959 PolarHBondContact O-N 3.35Å
956	F	97.8	Very high	97.1	Very high	122 Å²	122	60.1 Å²	60.1	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-43	173.8	171.9	-99.1	0	0	0	111.6	V817 K952 I953 L954 L958 F959 E960	V817-F956 HydrophobicContact CG1-CD1 4.36Å; V817-F956 HydrophobicContact CG1-CE1 4.38Å; K952-F956 WeakPolarHBondContact O-CB 3.42Å; K952-F956 PolarHBondContact O-N 3.33Å; I953-F956 PolarHBondContact O-N 3.14Å; L954-F956 VanDerWaalsContact C-N 3.31Å; L954-F956 PolarHBondContact O-N 3.15Å; F956-L958 PolarHBondContact O-N 3.2Å; F956-F959 PolarHBondContact O-N 3.09Å; F956-E960 HydrophobicContact CE1-CB 4.18Å; F956-E960 HydrophobicContact CE1-CG 4.33Å; F956-E960 HydrophobicContact CZ-CB 4.15Å; F956-E960 HydrophobicContact CZ-CG 4.21Å; F956-E960 WeakPolarHBondContact O-CB 3.27Å; F956-E960 PolarHBondContact O-N 3.29Å
957	G	96.9	Very high	97.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.2	-48	175.2	0	0	0	0	0	112.4	I953 L954 I955 F959 E960 E961	I953-G957 PolarHBondContact O-N 3.17Å; L954-G957 WeakPolarHBondContact O-CA 3.44Å; L954-G957 PolarHBondContact O-N 3.31Å; L954-G957 VanDerWaalsContact O-N 3.13Å; I955-G957 VanDerWaalsContact C-N 3.31Å; I955-G957 PolarHBondContact O-N 3.43Å; G957-F959 VanDerWaalsContact C-N 3.33Å; G957-F959 PolarHBondContact O-N 3.35Å; G957-E960 PolarHBondContact O-N 3.02Å; G957-E961 WeakPolarHBondContact O-CB 3.37Å; G957-E961 PolarHBondContact O-N 2.97Å
958	L	97.3	Very high	97.3	Very high	33 Å²	33	59.4 Å²	59.4	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-42.5	176.7	-70.7	170.1	0	0	0	113.2	W931 L934 L954 I955 F956 T962	W931-L958 HydrophobicContact CB-CD2 4.05Å; W931-L958 HydrophobicContact CG-CD2 4.1Å; L934-L958 HydrophobicContact CB-CD2 4.45Å; L934-L958 HydrophobicContact CD2-CD1 4.45Å; L934-L958 HydrophobicContact CD2-CD2 3.51Å; L934-L958 HydrophobicContact CD2-CG 3.68Å; L954-L958 HydrophobicContact CD2-CD1 4.13Å; L954-L958 PolarHBondContact O-N 3.04Å; I955-L958 PolarHBondContact O-N 3.44Å; F956-L958 PolarHBondContact O-N 3.2Å; L958-T962 WeakPolarHBondContact O-CB 3.21Å; L958-T962 PolarHBondContact O-N 3.23Å; L958-T962 VanDerWaalsContact O-N 3.15Å; L958-T962 PolarHBondContact O-OG1 3.39Å
959	F	97.9	Very high	97.3	Very high	154 Å²	154	58.6 Å²	58.6	68%	0.675	29%	0.288	S	S	*	.	H	α-helix	trans	-69.3	-42.2	178.4	-79.8	-70	0	0	0	112	I955 F956 G957 A963	I955-F959 HydrophobicContact CG2-CD2 4.03Å; I955-F959 HydrophobicContact CG2-CE2 3.8Å; I955-F959 VanDerWaalsContact O-CD2 3.25Å; I955-F959 WeakPolarHBondContact O-CD2 3.29Å; I955-F959 PolarHBondContact O-N 3.35Å; F956-F959 PolarHBondContact O-N 3.09Å; G957-F959 VanDerWaalsContact C-N 3.33Å; G957-F959 PolarHBondContact O-N 3.35Å; F959-A963 WeakPolarHBondContact O-CB 3.46Å; F959-A963 PolarHBondContact O-N 3.27Å
960	E	97.8	Very high	97.4	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-45.9	-179.5	-172.3	-83.5	160	0	0	111.2	V817 F956 G957 T962 A963 L964	V817-E960 WeakPolarHBondContact CB-OE2 3.45Å; V817-E960 WeakPolarHBondContact CG2-OE2 3.18Å; F956-E960 HydrophobicContact CE1-CB 4.18Å; F956-E960 HydrophobicContact CE1-CG 4.33Å; F956-E960 HydrophobicContact CZ-CB 4.15Å; F956-E960 HydrophobicContact CZ-CG 4.21Å; F956-E960 WeakPolarHBondContact O-CB 3.27Å; F956-E960 PolarHBondContact O-N 3.29Å; G957-E960 PolarHBondContact O-N 3.02Å; E960-T962 PolarHBondContact O-N 2.76Å; E960-A963 PolarHBondContact O-N 3.47Å; E960-L964 VanDerWaalsContact O-CB 3.31Å; E960-L964 WeakPolarHBondContact O-CB 3Å; E960-L964 PolarHBondContact O-N 3.37Å
961	E	97.8	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-50.6	173.9	-175.8	-167.5	-176.8	0	0	111.2	P818 V927 G957 L964 A965	P818-E961 HydrophobicContact CG-CB 4.05Å; P818-E961 HydrophobicContact CG-CG 4.12Å; V927-E961 HydrophobicContact CG1-CG 3.95Å; G957-E961 WeakPolarHBondContact O-CB 3.37Å; G957-E961 PolarHBondContact O-N 2.97Å; E961-L964 PolarHBondContact O-N 3.07Å; E961-A965 WeakPolarHBondContact O-CB 3.47Å; E961-A965 PolarHBondContact O-N 3.13Å
962	T	97.6	Very high	97.3	Very high	38 Å²	38	59 Å²	59	23%	0.233	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-42.3	179	-55.6	0	0	0	0	112.1	W931 L958 E960 A965 A966 W988	W931-T962 VanDerWaalsContact CE2-OG1 3.31Å; W931-T962 HydrophobicContact CH2-CG2 4.42Å; W931-T962 HydrophobicContact CZ2-CG2 3.69Å; W931-T962 WeakPolarHBondContact CZ2-OG1 3.33Å; W931-T962 PolarHBondContact NE1-OG1 2.95Å; L958-T962 WeakPolarHBondContact O-CB 3.21Å; L958-T962 PolarHBondContact O-N 3.23Å; L958-T962 VanDerWaalsContact O-N 3.15Å; L958-T962 PolarHBondContact O-OG1 3.39Å; E960-T962 PolarHBondContact O-N 2.76Å; T962-A965 PolarHBondContact O-N 3.36Å; T962-A966 WeakPolarHBondContact O-CB 3.25Å; T962-A966 PolarHBondContact O-N 3.38Å; T962-W988 HydrophobicContact CG2-CZ3 4.33Å
963	A	97.8	Very high	97	Very high	59 Å²	59	53.3 Å²	53.3	49%	0.488	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-38.4	179.1	0	0	0	0	0	111.6	F959 E960 A966 F967	F959-A963 WeakPolarHBondContact O-CB 3.46Å; F959-A963 PolarHBondContact O-N 3.27Å; E960-A963 PolarHBondContact O-N 3.47Å; A963-A966 PolarHBondContact O-N 3.12Å; A963-F967 WeakPolarHBondContact O-CB 3.32Å; A963-F967 PolarHBondContact O-N 3.42Å
964	L	97.6	Very high	96.7	Very high	46 Å²	46	51.4 Å²	51.4	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-47	175.5	-178.1	61.8	0	0	0	110.6	T814 E960 E961 A966 F967 L968	T814-L964 HydrophobicContact CG2-CD2 4.24Å; E960-L964 VanDerWaalsContact O-CB 3.31Å; E960-L964 WeakPolarHBondContact O-CB 3Å; E960-L964 PolarHBondContact O-N 3.37Å; E961-L964 PolarHBondContact O-N 3.07Å; L964-A966 VanDerWaalsContact C-N 3.32Å; L964-A966 PolarHBondContact O-N 2.96Å; L964-F967 WeakPolarHBondContact O-CB 3.45Å; L964-F967 PolarHBondContact O-N 2.89Å; L964-F967 VanDerWaalsContact O-N 3.15Å; L964-L968 HydrophobicContact CD1-CD1 4.47Å; L964-L968 HydrophobicContact CD1-CG 4.3Å; L964-L968 HydrophobicContact CG-CD1 4.24Å; L964-L968 HydrophobicContact CG-CG 4.46Å; L964-L968 VanDerWaalsContact O-CG 3.31Å; L964-L968 WeakPolarHBondContact O-CG 3.08Å; L964-L968 PolarHBondContact O-N 3.2Å
965	A	97.2	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-43.3	176.2	0	0	0	0	0	112.2	T814 F923 V927 E961 T962 L968 S969 W988	T814-A965 HydrophobicContact CG2-CB 4.48Å; F923-A965 HydrophobicContact CE1-CB 3.77Å; F923-A965 HydrophobicContact CZ-CB 4.06Å; V927-A965 HydrophobicContact CG1-CB 4.24Å; V927-A965 HydrophobicContact CG2-CB 4.06Å; E961-A965 WeakPolarHBondContact O-CB 3.47Å; E961-A965 PolarHBondContact O-N 3.13Å; T962-A965 PolarHBondContact O-N 3.36Å; A965-L968 PolarHBondContact O-N 3.15Å; A965-S969 PolarHBondContact O-N 3.4Å; A965-S969 VanDerWaalsContact O-N 3.11Å; A965-W988 HydrophobicContact CB-CH2 4.32Å
966	A	97.4	Very high	95.8	Very high	29 Å²	29	55.8 Å²	55.8	24%	0.24	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175	0	0	0	0	0	111.8	T962 A963 L964 S969 Y970 W988	T962-A966 WeakPolarHBondContact O-CB 3.25Å; T962-A966 PolarHBondContact O-N 3.38Å; A963-A966 PolarHBondContact O-N 3.12Å; L964-A966 VanDerWaalsContact C-N 3.32Å; L964-A966 PolarHBondContact O-N 2.96Å; A966-S969 PolarHBondContact O-N 3.36Å; A966-Y970 HydrophobicContact CB-CD2 4.3Å; A966-Y970 WeakPolarHBondContact O-CB 3.36Å; A966-Y970 WeakPolarHBondContact O-CD2 3.27Å; A966-Y970 PolarHBondContact O-N 2.75Å; A966-W988 HydrophobicContact CB-CH2 3.91Å; A966-W988 HydrophobicContact CB-CZ2 4.08Å
967	F	97.7	Very high	95.2	Very high	120 Å²	120	53.7 Å²	53.7	53%	0.526	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176	178	-97.6	0	0	0	111.5	A963 L964 S969 Y970 C971	A963-F967 WeakPolarHBondContact O-CB 3.32Å; A963-F967 PolarHBondContact O-N 3.42Å; L964-F967 WeakPolarHBondContact O-CB 3.45Å; L964-F967 PolarHBondContact O-N 2.89Å; L964-F967 VanDerWaalsContact O-N 3.15Å; F967-S969 VanDerWaalsContact C-N 3.31Å; F967-S969 PolarHBondContact O-N 2.89Å; F967-Y970 PolarHBondContact O-N 3.29Å; F967-C971 HydrophobicContact CD2-CB 4.12Å; F967-C971 HydrophobicContact CE1-CB 4.31Å; F967-C971 HydrophobicContact CE2-CB 3.91Å; F967-C971 HydrophobicContact CG-CB 4.42Å; F967-C971 HydrophobicContact CZ-CB 4.01Å; F967-C971 WeakPolarHBondContact O-CB 3.44Å; F967-C971 PolarHBondContact O-N 3.37Å
968	L	96.1	Very high	94.8	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-33.3	-179.8	-68.5	178.3	0	0	0	112.9	C809 F923 L964 A965 M974 L978 M980	C809-L968 HydrophobicContact CB-CD1 4.38Å; F923-L968 HydrophobicContact CZ-CD1 4.08Å; L964-L968 HydrophobicContact CD1-CD1 4.47Å; L964-L968 HydrophobicContact CD1-CG 4.3Å; L964-L968 HydrophobicContact CG-CD1 4.24Å; L964-L968 HydrophobicContact CG-CG 4.46Å; L964-L968 VanDerWaalsContact O-CG 3.31Å; L964-L968 WeakPolarHBondContact O-CG 3.08Å; L964-L968 PolarHBondContact O-N 3.2Å; A965-L968 PolarHBondContact O-N 3.15Å; L968-M974 HydrophobicContact CD2-CE 3.57Å; L968-M974 VanDerWaalsContact O-CB 3.25Å; L968-M974 WeakPolarHBondContact O-CB 3.27Å; L968-M974 WeakPolarHBondContact O-CG 3.45Å; L968-L978 HydrophobicContact CD2-CD1 4.05Å; L968-M980 HydrophobicContact CB-CE 4.17Å; L968-M980 HydrophobicContact CB-SD 3.77Å; L968-M980 HydrophobicContact CD1-SD 4.37Å; L968-M980 WeakPolarHBondContact O-CB 2.99Å
969	S	96.4	Very high	94.6	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-79.6	-39.7	176.3	176.8	0	0	0	0	113.6	A965 A966 F967 Y981 P982 L983	A965-S969 PolarHBondContact O-N 3.4Å; A965-S969 VanDerWaalsContact O-N 3.11Å; A966-S969 PolarHBondContact O-N 3.36Å; F967-S969 VanDerWaalsContact C-N 3.31Å; F967-S969 PolarHBondContact O-N 2.89Å; S969-Y981 CarbonylContact O-C 3.58Å; S969-Y981 PolarHBondContact OG-O 3.4Å; S969-P982 WeakPolarHBondContact O-CA 3.26Å; S969-L983 PolarHBondContact OG-N 3.06Å
970	Y	97.1	Very high	94.4	Very high	100 Å²	100	51.9 Å²	51.9	39%	0.392	31%	0.31	S	S	.	.	H	α-helix	trans	-103.1	-10.2	-169.6	-64.4	-63.2	0	0	0	115.1	A966 F967 P982 L983 W988	A966-Y970 HydrophobicContact CB-CD2 4.3Å; A966-Y970 WeakPolarHBondContact O-CB 3.36Å; A966-Y970 WeakPolarHBondContact O-CD2 3.27Å; A966-Y970 PolarHBondContact O-N 2.75Å; F967-Y970 PolarHBondContact O-N 3.29Å; Y970-P982 HydrophobicContact CD1-CB 3.79Å; Y970-P982 HydrophobicContact CE1-CB 4.02Å; Y970-L983 VanDerWaalsContact CE1-O 3.28Å; Y970-L983 WeakPolarHBondContact CE1-O 3.2Å; Y970-L983 PolarHBondContact OH-O 3.28Å; Y970-W988 AromaticContact CE2-CZ2 3.88Å; Y970-W988 HydrophobicContact CE2-CZ2 3.88Å; Y970-W988 AromaticContact CE2-NE1 3.73Å; Y970-W988 AromaticContact CZ-NE1 3.7Å; Y970-W988 PolarHBondContact OH-NE1 3.08Å
971	C	96.4	Very high	94.3	Very high	38 Å²	38	51.9 Å²	51.9	26%	0.257	31%	0.308	S	S	.	.	S	Bend	trans	-69.1	128.6	179.5	-175.2	0	0	0	0	111	F967 G973 M974	F967-C971 HydrophobicContact CD2-CB 4.12Å; F967-C971 HydrophobicContact CE1-CB 4.31Å; F967-C971 HydrophobicContact CE2-CB 3.91Å; F967-C971 HydrophobicContact CG-CB 4.42Å; F967-C971 HydrophobicContact CZ-CB 4.01Å; F967-C971 WeakPolarHBondContact O-CB 3.44Å; F967-C971 PolarHBondContact O-N 3.37Å; C971-G973 PolarHBondContact O-N 3.11Å; C971-M974 HydrophobicContact CB-CG 3.64Å; C971-M974 VanDerWaalsContact O-CG 3.27Å; C971-M974 WeakPolarHBondContact O-CG 3.27Å; C971-M974 PolarHBondContact O-N 3.33Å
972	P	95.4	Very high	94.2	Very high	127 Å²	127	55.9 Å²	55.9	83%	0.825	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	126.7	176.9	-24.7	34.5	0	0	0	112.1
973	G	92	Very high	94.2	Very high	50 Å²	50	54.4 Å²	54.4	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.9	-13.1	-179.7	0	0	0	0	0	114.8	C971 G975 V976 A977	C971-G973 PolarHBondContact O-N 3.11Å; G973-G975 VanDerWaalsContact C-N 3.3Å; G973-G975 PolarHBondContact O-N 3.48Å; G973-V976 PolarHBondContact O-N 3.42Å; G973-V976 VanDerWaalsContact O-N 3.14Å; G973-A977 PolarHBondContact O-N 2.99Å; G973-A977 VanDerWaalsContact O-N 3.08Å
974	M	91.8	Very high	94.1	Very high	26 Å²	26	56 Å²	56	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-27.9	179.9	-62.1	-54.1	-64.1	0	0	113.7	L968 C971 V976 A977 L978 R979 M980	L968-M974 HydrophobicContact CD2-CE 3.57Å; L968-M974 VanDerWaalsContact O-CB 3.25Å; L968-M974 WeakPolarHBondContact O-CB 3.27Å; L968-M974 WeakPolarHBondContact O-CG 3.45Å; C971-M974 HydrophobicContact CB-CG 3.64Å; C971-M974 VanDerWaalsContact O-CG 3.27Å; C971-M974 WeakPolarHBondContact O-CG 3.27Å; C971-M974 PolarHBondContact O-N 3.33Å; M974-V976 PolarHBondContact O-N 3.17Å; M974-A977 PolarHBondContact O-N 2.99Å; M974-L978 HydrophobicContact CE-CB 4.09Å; M974-L978 HydrophobicContact CE-CD1 3.2Å; M974-L978 HydrophobicContact CE-CG 3.57Å; M974-L978 CarbonylContact O-C 3.51Å; M974-L978 PolarHBondContact O-N 3.49Å; M974-R979 PolarHBondContact O-N 3.49Å; M974-M980 CarbonylContact C-O 3.22Å; M974-M980 HydrophobicContact CB-CB 4.39Å; M974-M980 PolarHBondContact O-N 2.85Å; M974-M980 VanDerWaalsContact O-N 3.11Å
975	G	88.3	Confident	94	Very high	20 Å²	20	58.5 Å²	58.5	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-17.3	173.4	0	0	0	0	0	114.1	G973 R979 M980	G973-G975 VanDerWaalsContact C-N 3.3Å; G973-G975 PolarHBondContact O-N 3.48Å; G975-R979 WeakPolarHBondContact O-CA 3.41Å; G975-M980 WeakPolarHBondContact CA-O 3.31Å; G975-M980 PolarHBondContact N-O 2.93Å
976	V	87.1	Confident	93.9	Very high	132 Å²	132	62.3 Å²	62.3	80%	0.8	36%	0.363	S	S	*	.	H	α-helix	trans	-101.2	-45.3	174.3	-178.8	0	0	0	0	110.7	G973 M974	G973-V976 PolarHBondContact O-N 3.42Å; G973-V976 VanDerWaalsContact O-N 3.14Å; M974-V976 PolarHBondContact O-N 3.17Å
977	A	85.9	Confident	93.9	Very high	77 Å²	77	61.5 Å²	61.5	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-70.7	-47.7	-174.7	0	0	0	0	0	113.1	G973 M974	G973-A977 PolarHBondContact O-N 2.99Å; G973-A977 VanDerWaalsContact O-N 3.08Å; M974-A977 PolarHBondContact O-N 2.99Å
978	L	88.4	Confident	93.8	Very high	52 Å²	52	57.5 Å²	57.5	27%	0.272	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	3.3	-177	-60.4	-172.7	0	0	0	113.1	V805 L968 M974 M980	V805-L978 HydrophobicContact CG1-CB 4.23Å; V805-L978 HydrophobicContact CG1-CD2 3.94Å; L968-L978 HydrophobicContact CD2-CD1 4.05Å; M974-L978 HydrophobicContact CE-CB 4.09Å; M974-L978 HydrophobicContact CE-CD1 3.2Å; M974-L978 HydrophobicContact CE-CG 3.57Å; M974-L978 CarbonylContact O-C 3.51Å; M974-L978 PolarHBondContact O-N 3.49Å; L978-M980 HydrophobicContact CB-CG 3.95Å; L978-M980 HydrophobicContact CB-SD 4.19Å; L978-M980 HydrophobicContact CD1-SD 4.19Å; L978-M980 PolarHBondContact O-N 3.21Å
979	R	92.1	Very high	93.9	Very high	96 Å²	96	63.1 Å²	63.1	36%	0.362	36%	0.359	S	S	.	.			trans	55.2	34.9	-171	-56.4	-175	177.8	156.7	8.2	113	D128 F916 M974 G975	D128-R979 IonicContact OD1-CZ 2.98Å; D128-R979 IonicContact OD1-NH1 3.75Å; D128-R979 IonicContact OD1-NH2 2.71Å; D128-R979 PolarHBondContact OD1-NH2 3.16Å; D128-R979 IonicContact OD2-CZ 2.75Å; D128-R979 IonicContact OD2-NH1 2.73Å; D128-R979 PolarHBondContact OD2-NH1 3.04Å; D128-R979 IonicContact OD2-NH2 3.92Å; D128-R979 PolarHBondContact OD2-NH2 2.96Å; F916-R979 HydrophobicContact CB-CB 4.42Å; F916-R979 HydrophobicContact CD1-CB 4Å; F916-R979 HydrophobicContact CD2-CB 4.38Å; F916-R979 HydrophobicContact CE1-CB 4.43Å; F916-R979 VanDerWaalsContact CE1-CD 3.5Å; F916-R979 HydrophobicContact CG-CB 4.02Å; F916-R979 VanDerWaalsContact CZ-CD 3.46Å; M974-R979 PolarHBondContact O-N 3.49Å; G975-R979 WeakPolarHBondContact O-CA 3.41Å
980	M	94.3	Very high	93.9	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	36%	0.364	C	S	.	.			trans	-99.1	120.9	176.7	-63.9	-176.7	99.5	0	0	110.9	T806 T920 F923 L968 M974 G975 L978	T806-M980 HydrophobicContact CG2-CE 4.2Å; T806-M980 HydrophobicContact CG2-CG 4.49Å; T920-M980 HydrophobicContact CG2-CB 4.22Å; T920-M980 HydrophobicContact CG2-CE 4.31Å; T920-M980 VanDerWaalsContact OG1-CA 3.29Å; T920-M980 WeakPolarHBondContact OG1-CA 3.27Å; F923-M980 HydrophobicContact CB-CE 4.35Å; F923-M980 HydrophobicContact CD1-CE 3.29Å; F923-M980 HydrophobicContact CD2-CE 4.16Å; F923-M980 HydrophobicContact CE1-CE 3.5Å; F923-M980 HydrophobicContact CE2-CE 4.34Å; F923-M980 HydrophobicContact CG-CE 3.66Å; F923-M980 HydrophobicContact CZ-CE 4.03Å; L968-M980 HydrophobicContact CB-CE 4.17Å; L968-M980 HydrophobicContact CB-SD 3.77Å; L968-M980 HydrophobicContact CD1-SD 4.37Å; L968-M980 WeakPolarHBondContact O-CB 2.99Å; M974-M980 CarbonylContact C-O 3.22Å; M974-M980 HydrophobicContact CB-CB 4.39Å; M974-M980 PolarHBondContact O-N 2.85Å; M974-M980 VanDerWaalsContact O-N 3.11Å; G975-M980 WeakPolarHBondContact CA-O 3.31Å; G975-M980 PolarHBondContact N-O 2.93Å; L978-M980 HydrophobicContact CB-CG 3.95Å; L978-M980 HydrophobicContact CB-SD 4.19Å; L978-M980 HydrophobicContact CD1-SD 4.19Å; L978-M980 PolarHBondContact O-N 3.21Å
981	Y	95.5	Very high	93.9	Very high	55 Å²	55	59.1 Å²	59.1	22%	0.216	35%	0.345	C	S	.	.			trans	-104.6	152.1	-174.2	-76.5	-96.6	0	0	0	111.9	I913 F916 T917 T920 S969 L983	I913-Y981 HydrophobicContact CB-CE1 4.42Å; I913-Y981 HydrophobicContact CG1-CE1 4.06Å; I913-Y981 HydrophobicContact CG2-CD1 4.04Å; I913-Y981 HydrophobicContact CG2-CE1 3.85Å; F916-Y981 HydrophobicContact CB-CD2 3.48Å; F916-Y981 VanDerWaalsContact CB-CD2 3.48Å; F916-Y981 HydrophobicContact CB-CE2 3.43Å; F916-Y981 VanDerWaalsContact CB-CE2 3.43Å; F916-Y981 AromaticContact CD2-CE2 3.93Å; F916-Y981 HydrophobicContact CD2-CE2 3.93Å; F916-Y981 HydrophobicContact CG-CE2 4.08Å; T917-Y981 WeakPolarHBondContact OG1-CB 3.4Å; T920-Y981 VanDerWaalsContact CG2-O 3.31Å; T920-Y981 WeakPolarHBondContact CG2-O 3.41Å; T920-Y981 PolarHBondContact OG1-N 2.95Å; S969-Y981 CarbonylContact O-C 3.58Å; S969-Y981 PolarHBondContact OG-O 3.4Å; Y981-L983 PolarHBondContact O-N 3Å
982	P	96.4	Very high	94	Very high	84 Å²	84	62.3 Å²	62.3	55%	0.545	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-67.6	130.5	-179.2	27.6	-34.7	0	0	0	111.2	S969 Y970	S969-P982 WeakPolarHBondContact O-CA 3.26Å; Y970-P982 HydrophobicContact CD1-CB 3.79Å; Y970-P982 HydrophobicContact CE1-CB 4.02Å
983	L	96.6	Very high	94.1	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.042	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-87.5	145.3	-179.2	-58.8	-176.9	0	0	0	112.5	T917 T920 A921 V924 S969 Y970 Y981 W987	T917-L983 HydrophobicContact CG2-CD2 4.1Å; T920-L983 HydrophobicContact CG2-CD1 4.38Å; T920-L983 HydrophobicContact CG2-CD2 4.03Å; T920-L983 HydrophobicContact CG2-CG 4.14Å; A921-L983 HydrophobicContact CB-CD1 4.2Å; A921-L983 HydrophobicContact CB-CD2 3.76Å; V924-L983 HydrophobicContact CB-CD1 3.84Å; V924-L983 HydrophobicContact CG1-CD1 4.22Å; V924-L983 HydrophobicContact CG2-CD1 3.57Å; S969-L983 PolarHBondContact OG-N 3.06Å; Y970-L983 VanDerWaalsContact CE1-O 3.28Å; Y970-L983 WeakPolarHBondContact CE1-O 3.2Å; Y970-L983 PolarHBondContact OH-O 3.28Å; Y981-L983 PolarHBondContact O-N 3Å; L983-W987 HydrophobicContact CB-CE3 3.96Å; L983-W987 HydrophobicContact CD2-CE3 3.84Å; L983-W987 HydrophobicContact CD2-CZ3 4.27Å; L983-W987 HydrophobicContact CG-CE3 4.5Å
984	K	95.8	Very high	94.4	Very high	91 Å²	91	60.4 Å²	60.4	40%	0.396	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-64.6	146.4	165	-62.8	-178.1	-166.2	166.7	0	109.7	E875 T986 W987	E875-K984 IonicContact OE2-NZ 3.31Å; K984-T986 PolarHBondContact O-N 3.04Å; K984-T986 VanDerWaalsContact O-N 3.12Å; K984-W987 HydrophobicContact CB-CD2 3.73Å; K984-W987 HydrophobicContact CB-CE3 3.92Å; K984-W987 HydrophobicContact CB-CG 4.2Å; K984-W987 HydrophobicContact CB-CH2 4.4Å; K984-W987 HydrophobicContact CB-CZ2 4.23Å; K984-W987 HydrophobicContact CB-CZ3 4.22Å; K984-W987 HydrophobicContact CD-CD2 4.44Å; K984-W987 HydrophobicContact CD-CH2 3.87Å; K984-W987 HydrophobicContact CD-CZ2 3.43Å; K984-W987 VanDerWaalsContact CD-CZ2 3.43Å; K984-W987 HydrophobicContact CD-CZ3 4.5Å; K984-W987 VanDerWaalsContact CE-CZ2 3.45Å; K984-W987 HydrophobicContact CG-CD2 4.14Å; K984-W987 HydrophobicContact CG-CE3 4.12Å; K984-W987 HydrophobicContact CG-CH2 3.74Å; K984-W987 HydrophobicContact CG-CZ2 3.75Å; K984-W987 HydrophobicContact CG-CZ3 3.9Å; K984-W987 PolarHBondContact O-N 3.45Å; K984-W987 VanDerWaalsContact O-N 3.07Å
985	P	95.4	Very high	94.7	Very high	100 Å²	100	59.7 Å²	59.7	65%	0.649	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-55.9	-32	-179.8	-28.4	35.6	0	0	0	114.5	W987 F989	P985-W987 VanDerWaalsContact C-N 3.3Å; P985-W987 PolarHBondContact O-N 3.27Å; P985-F989 WeakPolarHBondContact O-CD2 3.22Å; P985-F989 VanDerWaalsContact O-CE2 3.28Å; P985-F989 WeakPolarHBondContact O-CE2 3.34Å
986	T	95.8	Very high	95.2	Very high	79 Å²	79	63.6 Å²	63.6	49%	0.485	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-63.5	-34.8	179.2	48.5	0	0	0	0	112.7	K984 W988 F989	K984-T986 PolarHBondContact O-N 3.04Å; K984-T986 VanDerWaalsContact O-N 3.12Å; T986-W988 VanDerWaalsContact C-N 3.28Å; T986-W988 PolarHBondContact O-N 3.33Å; T986-F989 PolarHBondContact O-N 3.43Å; T986-F989 VanDerWaalsContact O-N 3.08Å
987	W	96.8	Very high	95.8	Very high	12 Å²	12	61.7 Å²	61.7	5%	0.045	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-70.2	-23.5	-173.6	-57.6	-23.2	0	0	0	113.3	I872 E875 T917 L983 K984 P985 F989 C990	I872-W987 HydrophobicContact CD1-CB 4.37Å; I872-W987 HydrophobicContact CD1-CD2 3.85Å; I872-W987 HydrophobicContact CD1-CE3 4.01Å; I872-W987 HydrophobicContact CD1-CG 4.04Å; I872-W987 HydrophobicContact CG1-CD2 3.81Å; I872-W987 HydrophobicContact CG1-CE3 4.37Å; I872-W987 HydrophobicContact CG1-CG 3.95Å; I872-W987 HydrophobicContact CG1-CZ2 4.22Å; I872-W987 HydrophobicContact CG2-CH2 4.3Å; I872-W987 HydrophobicContact CG2-CZ2 4.17Å; E875-W987 PolarHBondContact OE2-NE1 2.91Å; T917-W987 HydrophobicContact CG2-CE3 4.2Å; T917-W987 HydrophobicContact CG2-CH2 3.87Å; T917-W987 HydrophobicContact CG2-CZ3 3.34Å; L983-W987 HydrophobicContact CB-CE3 3.96Å; L983-W987 HydrophobicContact CD2-CE3 3.84Å; L983-W987 HydrophobicContact CD2-CZ3 4.27Å; L983-W987 HydrophobicContact CG-CE3 4.5Å; K984-W987 HydrophobicContact CB-CD2 3.73Å; K984-W987 HydrophobicContact CB-CE3 3.92Å; K984-W987 HydrophobicContact CB-CG 4.2Å; K984-W987 HydrophobicContact CB-CH2 4.4Å; K984-W987 HydrophobicContact CB-CZ2 4.23Å; K984-W987 HydrophobicContact CB-CZ3 4.22Å; K984-W987 HydrophobicContact CD-CD2 4.44Å; K984-W987 HydrophobicContact CD-CH2 3.87Å; K984-W987 HydrophobicContact CD-CZ2 3.43Å; K984-W987 VanDerWaalsContact CD-CZ2 3.43Å; K984-W987 HydrophobicContact CD-CZ3 4.5Å; K984-W987 VanDerWaalsContact CE-CZ2 3.45Å; K984-W987 HydrophobicContact CG-CD2 4.14Å; K984-W987 HydrophobicContact CG-CE3 4.12Å; K984-W987 HydrophobicContact CG-CH2 3.74Å; K984-W987 HydrophobicContact CG-CZ2 3.75Å; K984-W987 HydrophobicContact CG-CZ3 3.9Å; K984-W987 PolarHBondContact O-N 3.45Å; K984-W987 VanDerWaalsContact O-N 3.07Å; P985-W987 VanDerWaalsContact C-N 3.3Å; P985-W987 PolarHBondContact O-N 3.27Å; W987-F989 PolarHBondContact O-N 3.35Å; W987-C990 PolarHBondContact O-N 3.04Å
988	W	96.8	Very high	96.4	Very high	37 Å²	37	58 Å²	58	14%	0.14	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-63.5	-27.3	171.3	-78.1	80.7	0	0	0	113.1	V924 T962 A965 A966 Y970 T986	V924-W988 HydrophobicContact CG1-CD2 3.66Å; V924-W988 HydrophobicContact CG1-CE3 3.46Å; V924-W988 VanDerWaalsContact CG1-CE3 3.46Å; V924-W988 HydrophobicContact CG1-CG 4.3Å; V924-W988 HydrophobicContact CG1-CH2 4.01Å; V924-W988 HydrophobicContact CG1-CZ2 4.18Å; V924-W988 HydrophobicContact CG1-CZ3 3.66Å; V924-W988 HydrophobicContact CG2-CH2 4.16Å; V924-W988 HydrophobicContact CG2-CZ2 4.12Å; T962-W988 HydrophobicContact CG2-CZ3 4.33Å; A965-W988 HydrophobicContact CB-CH2 4.32Å; A966-W988 HydrophobicContact CB-CH2 3.91Å; A966-W988 HydrophobicContact CB-CZ2 4.08Å; Y970-W988 AromaticContact CE2-CZ2 3.88Å; Y970-W988 HydrophobicContact CE2-CZ2 3.88Å; Y970-W988 AromaticContact CE2-NE1 3.73Å; Y970-W988 AromaticContact CZ-NE1 3.7Å; Y970-W988 PolarHBondContact OH-NE1 3.08Å; T986-W988 VanDerWaalsContact C-N 3.28Å; T986-W988 PolarHBondContact O-N 3.33Å
989	F	97.3	Very high	96.8	Very high	137 Å²	137	58 Å²	58	60%	0.601	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-92.8	-7.4	-175.9	-59	-77.2	0	0	0	113.2	P985 T986 W987 A991 F992	P985-F989 WeakPolarHBondContact O-CD2 3.22Å; P985-F989 VanDerWaalsContact O-CE2 3.28Å; P985-F989 WeakPolarHBondContact O-CE2 3.34Å; T986-F989 PolarHBondContact O-N 3.43Å; T986-F989 VanDerWaalsContact O-N 3.08Å; W987-F989 PolarHBondContact O-N 3.35Å; F989-A991 VanDerWaalsContact C-N 3.34Å; F989-A991 PolarHBondContact O-N 2.89Å; F989-F992 WeakPolarHBondContact O-CB 3.33Å; F989-F992 PolarHBondContact O-N 2.93Å
990	C	97.1	Very high	97.1	Very high	17 Å²	17	56.9 Å²	56.9	12%	0.115	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-41	-178.2	-71.5	0	0	0	0	112.6	F867 T868 W987 P993	F867-C990 HydrophobicContact CD1-CB 4.29Å; F867-C990 WeakPolarHBondContact CD1-O 3.26Å; F867-C990 HydrophobicContact CE1-CB 4.29Å; T868-C990 HydrophobicContact CG2-CB 3.95Å; T868-C990 WeakPolarHBondContact OG1-CB 3.28Å; W987-C990 PolarHBondContact O-N 3.04Å; C990-P993 WeakPolarHBondContact O-CD 3.46Å
991	A	97.3	Very high	97.3	Very high	1 Å²	1	61 Å²	61	1%	0.008	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.5	-179.1	0	0	0	0	0	114.1	V928 V929 F989 Y994 S995	V928-A991 HydrophobicContact CB-CB 4.1Å; V928-A991 HydrophobicContact CG1-CB 4Å; V929-A991 HydrophobicContact CG1-CB 4.3Å; F989-A991 VanDerWaalsContact C-N 3.34Å; F989-A991 PolarHBondContact O-N 2.89Å; A991-Y994 WeakPolarHBondContact O-CB 3.39Å; A991-Y994 PolarHBondContact O-N 3.45Å; A991-Y994 VanDerWaalsContact O-N 3.1Å; A991-S995 PolarHBondContact O-N 3.42Å; A991-S995 VanDerWaalsContact O-N 3.08Å
992	F	97.9	Very high	97.5	Very high	106 Å²	106	58.4 Å²	58.4	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-40.1	-174.8	-153.2	-94.2	0	0	0	114.2	V928 W931 F989 Y994 S995 L996	V928-F992 HydrophobicContact CG1-CB 4.46Å; V928-F992 HydrophobicContact CG1-CD2 4.12Å; W931-F992 HydrophobicContact CE3-CE2 4.44Å; W931-F992 HydrophobicContact CZ3-CD2 4.27Å; W931-F992 HydrophobicContact CZ3-CE2 4.01Å; F989-F992 WeakPolarHBondContact O-CB 3.33Å; F989-F992 PolarHBondContact O-N 2.93Å; F992-Y994 VanDerWaalsContact C-N 3.29Å; F992-Y994 PolarHBondContact O-N 3.39Å; F992-S995 WeakPolarHBondContact O-CB 3.39Å; F992-S995 PolarHBondContact O-N 3.26Å; F992-L996 PolarHBondContact O-N 3.15Å
993	P	98.2	Very high	97.6	Very high	81 Å²	81	55.5 Å²	55.5	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-34.5	175.1	-23.5	35.2	0	0	0	113.4	C990 L996 L997	C990-P993 WeakPolarHBondContact O-CD 3.46Å; P993-L996 PolarHBondContact O-N 2.86Å; P993-L997 WeakPolarHBondContact O-CB 3.39Å; P993-L997 PolarHBondContact O-N 3.29Å
994	Y	98.5	Very high	97.6	Very high	56 Å²	56	58.5 Å²	58.5	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-72.3	-38.8	177.6	-66.8	-91.5	0	0	0	111.3	I860 L863 F867 A991 F992 L996 L997 I998	I860-Y994 HydrophobicContact CG2-CD1 4.1Å; L863-Y994 HydrophobicContact CB-CD1 4.24Å; L863-Y994 HydrophobicContact CB-CE1 3.78Å; F867-Y994 HydrophobicContact CB-CE2 3.81Å; F867-Y994 AromaticContact CD1-CE2 3.88Å; F867-Y994 HydrophobicContact CD1-CE2 3.88Å; F867-Y994 AromaticContact CG-CE2 3.83Å; F867-Y994 HydrophobicContact CG-CE2 3.83Å; A991-Y994 WeakPolarHBondContact O-CB 3.39Å; A991-Y994 PolarHBondContact O-N 3.45Å; A991-Y994 VanDerWaalsContact O-N 3.1Å; F992-Y994 VanDerWaalsContact C-N 3.29Å; F992-Y994 PolarHBondContact O-N 3.39Å; Y994-L996 PolarHBondContact O-N 2.85Å; Y994-L997 WeakPolarHBondContact O-CB 3.26Å; Y994-L997 PolarHBondContact O-N 3.49Å; Y994-I998 WeakPolarHBondContact O-CG1 3.18Å; Y994-I998 PolarHBondContact O-N 3.19Å
995	S	98.3	Very high	97.7	Very high	10 Å²	10	54.7 Å²	54.7	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-45.9	171.9	-170.7	0	0	0	0	111.4	V928 A932 A991 F992 L997 I998 F999	V928-S995 WeakPolarHBondContact O-CB 3.49Å; V928-S995 PolarHBondContact O-OG 3.16Å; A932-S995 WeakPolarHBondContact CB-O 3.47Å; A932-S995 VanDerWaalsContact CB-OG 3.27Å; A932-S995 WeakPolarHBondContact CB-OG 3.35Å; A991-S995 PolarHBondContact O-N 3.42Å; A991-S995 VanDerWaalsContact O-N 3.08Å; F992-S995 WeakPolarHBondContact O-CB 3.39Å; F992-S995 PolarHBondContact O-N 3.26Å; S995-L997 VanDerWaalsContact C-N 3.34Å; S995-L997 PolarHBondContact O-N 2.7Å; S995-I998 PolarHBondContact O-N 3.35Å; S995-F999 PolarHBondContact O-N 3.39Å; S995-F999 VanDerWaalsContact O-N 3.11Å
996	L	98.2	Very high	97.8	Very high	103 Å²	103	49.9 Å²	49.9	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-39.5	174.3	-178	62.8	0	0	0	112.5	F992 P993 Y994 F999 V1000	F992-L996 PolarHBondContact O-N 3.15Å; P993-L996 PolarHBondContact O-N 2.86Å; Y994-L996 PolarHBondContact O-N 2.85Å; L996-F999 PolarHBondContact O-N 2.99Å; L996-V1000 HydrophobicContact CD1-CG2 4.22Å; L996-V1000 HydrophobicContact CG-CG2 4.46Å; L996-V1000 WeakPolarHBondContact O-CG2 3.34Å; L996-V1000 PolarHBondContact O-N 3.12Å
997	L	98.4	Very high	97.9	Very high	92 Å²	92	50.2 Å²	50.2	48%	0.482	25%	0.25	S	S	.	.	H	α-helix	trans	-62.2	-44.6	177.1	179.2	61.6	0	0	0	111.6	I860 P993 Y994 S995 F999 V1000 Y1001	I860-L997 HydrophobicContact CG2-CD2 4.06Å; I860-L997 HydrophobicContact CG2-CG 4.46Å; P993-L997 WeakPolarHBondContact O-CB 3.39Å; P993-L997 PolarHBondContact O-N 3.29Å; Y994-L997 WeakPolarHBondContact O-CB 3.26Å; Y994-L997 PolarHBondContact O-N 3.49Å; S995-L997 VanDerWaalsContact C-N 3.34Å; S995-L997 PolarHBondContact O-N 2.7Å; L997-F999 VanDerWaalsContact C-N 3.34Å; L997-F999 PolarHBondContact O-N 3.34Å; L997-V1000 PolarHBondContact O-N 2.93Å; L997-Y1001 WeakPolarHBondContact O-CB 3.19Å; L997-Y1001 PolarHBondContact O-N 2.87Å
998	I	98.6	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-49.5	175.5	-71.5	167	0	0	0	110.4	I857 I860 Q861 V929 A932 I936 Y994 S995 V1000 Y1001 D1002	I857-I998 HydrophobicContact CD1-CG2 4.4Å; I857-I998 HydrophobicContact CG2-CD1 4.16Å; I857-I998 HydrophobicContact CG2-CG1 4.19Å; I857-I998 HydrophobicContact CG2-CG2 3.78Å; I860-I998 HydrophobicContact CB-CD1 4.29Å; I860-I998 HydrophobicContact CB-CG1 3.93Å; I860-I998 HydrophobicContact CD1-CG1 4.27Å; I860-I998 HydrophobicContact CG2-CD1 4.07Å; I860-I998 HydrophobicContact CG2-CG1 3.64Å; Q861-I998 HydrophobicContact CG-CD1 3.67Å; V929-I998 HydrophobicContact CB-CD1 3.88Å; V929-I998 HydrophobicContact CG1-CD1 4.29Å; A932-I998 HydrophobicContact CB-CB 4.15Å; A932-I998 HydrophobicContact CB-CG2 3.99Å; I936-I998 HydrophobicContact CD1-CG2 3.57Å; I936-I998 HydrophobicContact CG1-CG2 4.28Å; Y994-I998 WeakPolarHBondContact O-CG1 3.18Å; Y994-I998 PolarHBondContact O-N 3.19Å; S995-I998 PolarHBondContact O-N 3.35Å; I998-V1000 PolarHBondContact O-N 3.42Å; I998-Y1001 PolarHBondContact O-N 2.96Å; I998-D1002 PolarHBondContact O-N 3.33Å; I998-D1002 VanDerWaalsContact O-N 3.08Å
999	F	98.5	Very high	98	Very high	50 Å²	50	50.6 Å²	50.6	22%	0.219	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-50.6	179.3	175.5	-98.5	0	0	0	112.4	A932 V935 I936 V944 F945 S995 L996 L997 E1003	A932-F999 HydrophobicContact CB-CB 4.24Å; V935-F999 HydrophobicContact CG1-CD2 4.05Å; V935-F999 HydrophobicContact CG1-CE2 3.9Å; I936-F999 HydrophobicContact CG2-CD2 4.22Å; V944-F999 HydrophobicContact CB-CE2 4.42Å; V944-F999 HydrophobicContact CG2-CE2 4.13Å; F945-F999 HydrophobicContact CE2-CZ 4.37Å; F945-F999 HydrophobicContact CZ-CZ 4.1Å; S995-F999 PolarHBondContact O-N 3.39Å; S995-F999 VanDerWaalsContact O-N 3.11Å; L996-F999 PolarHBondContact O-N 2.99Å; L997-F999 VanDerWaalsContact C-N 3.34Å; L997-F999 PolarHBondContact O-N 3.34Å; F999-E1003 VanDerWaalsContact O-CB 3.31Å; F999-E1003 WeakPolarHBondContact O-CB 3.42Å; F999-E1003 PolarHBondContact O-N 3.32Å; F999-E1003 VanDerWaalsContact O-N 3.09Å
1000	V	98.4	Very high	97.9	Very high	73 Å²	73	46.7 Å²	46.7	44%	0.442	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-41.8	-179.1	173.7	0	0	0	0	111	L996 L997 I998 E1003 V1004	L996-V1000 HydrophobicContact CD1-CG2 4.22Å; L996-V1000 HydrophobicContact CG-CG2 4.46Å; L996-V1000 WeakPolarHBondContact O-CG2 3.34Å; L996-V1000 PolarHBondContact O-N 3.12Å; L997-V1000 PolarHBondContact O-N 2.93Å; I998-V1000 PolarHBondContact O-N 3.42Å; V1000-E1003 PolarHBondContact O-N 3.03Å; V1000-V1004 HydrophobicContact CG1-CG2 4.31Å; V1000-V1004 WeakPolarHBondContact O-CB 3.45Å; V1000-V1004 VanDerWaalsContact O-CG2 3.27Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.39Å; V1000-V1004 PolarHBondContact O-N 2.84Å
1001	Y	98.4	Very high	97.9	Very high	88 Å²	88	54.3 Å²	54.3	35%	0.345	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-54.4	-179.8	173.7	-102	0	0	0	111.7	Q856 I857 L997 I998 V1004 R1005	Q856-Y1001 PolarHBondContact OE1-OH 3.34Å; I857-Y1001 HydrophobicContact CD1-CD1 3.67Å; I857-Y1001 HydrophobicContact CD1-CE1 3.94Å; L997-Y1001 WeakPolarHBondContact O-CB 3.19Å; L997-Y1001 PolarHBondContact O-N 2.87Å; I998-Y1001 PolarHBondContact O-N 2.96Å; Y1001-V1004 PolarHBondContact O-N 3.15Å; Y1001-R1005 WeakPolarHBondContact O-CB 3.37Å; Y1001-R1005 PolarHBondContact O-N 3.46Å
1002	D	98.3	Very high	97.8	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-35.2	-177.8	-173.4	68.5	0	0	0	112	I936 I998 V1004 R1005 K1006	I936-D1002 HydrophobicContact CB-CB 3.86Å; I936-D1002 WeakPolarHBondContact CB-OD2 3.37Å; I936-D1002 HydrophobicContact CD1-CB 3.64Å; I936-D1002 HydrophobicContact CG1-CB 4.35Å; I936-D1002 HydrophobicContact CG2-CB 3.79Å; I998-D1002 PolarHBondContact O-N 3.33Å; I998-D1002 VanDerWaalsContact O-N 3.08Å; D1002-V1004 VanDerWaalsContact C-N 3.35Å; D1002-V1004 PolarHBondContact O-N 2.96Å; D1002-R1005 WeakPolarHBondContact O-CB 3.2Å; D1002-R1005 PolarHBondContact O-N 3.41Å; D1002-R1005 IonicContact OD1-CZ 2.64Å; D1002-R1005 IonicContact OD1-NE 3.92Å; D1002-R1005 PolarHBondContact OD1-NE 3.26Å; D1002-R1005 IonicContact OD1-NH2 3.14Å; D1002-R1005 PolarHBondContact OD1-NH2 3.39Å; D1002-R1005 IonicContact OD2-NH2 3.63Å; D1002-K1006 WeakPolarHBondContact O-CB 3.28Å; D1002-K1006 VanDerWaalsContact O-CG 3.3Å; D1002-K1006 WeakPolarHBondContact O-CG 3.28Å; D1002-K1006 PolarHBondContact O-N 3.46Å; D1002-K1006 VanDerWaalsContact OD2-CD 3.26Å; D1002-K1006 WeakPolarHBondContact OD2-CD 3.1Å; D1002-K1006 WeakPolarHBondContact OD2-CE 3.47Å; D1002-K1006 IonicContact OD2-NZ 3.77Å; D1002-K1006 PolarHBondContact OD2-NZ 2.78Å
1003	E	98.3	Very high	97.6	Very high	22 Å²	22	61.4 Å²	61.4	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-39	177	-171.4	54.5	-132.2	0	0	111.9	S943 V944 F999 V1000 L1007 R1010	S943-E1003 VanDerWaalsContact CA-OE1 3.25Å; S943-E1003 WeakPolarHBondContact CA-OE1 3.43Å; S943-E1003 WeakPolarHBondContact CB-OE1 3.48Å; S943-E1003 PolarHBondContact OG-OE1 3.29Å; S943-E1003 PolarHBondContact OG-OE2 3.41Å; V944-E1003 PolarHBondContact N-OE2 3.2Å; V944-E1003 VanDerWaalsContact N-OE2 3.13Å; F999-E1003 VanDerWaalsContact O-CB 3.31Å; F999-E1003 WeakPolarHBondContact O-CB 3.42Å; F999-E1003 PolarHBondContact O-N 3.32Å; F999-E1003 VanDerWaalsContact O-N 3.09Å; V1000-E1003 PolarHBondContact O-N 3.03Å; E1003-L1007 WeakPolarHBondContact O-CB 3.18Å; E1003-L1007 PolarHBondContact O-N 3.49Å; E1003-R1010 IonicContact OE1-NH1 2.81Å; E1003-R1010 IonicContact OE1-NH2 3.94Å; E1003-R1010 PolarHBondContact OE1-NH2 3.22Å; E1003-R1010 VanDerWaalsContact OE1-NH2 3.13Å
1004	V	97.9	Very high	97.2	Very high	72 Å²	72	59.9 Å²	59.9	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-67.1	-42	172.5	172.6	0	0	0	0	111.1	V1000 Y1001 D1002 K1006 L1007 I1008	V1000-V1004 HydrophobicContact CG1-CG2 4.31Å; V1000-V1004 WeakPolarHBondContact O-CB 3.45Å; V1000-V1004 VanDerWaalsContact O-CG2 3.27Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.39Å; V1000-V1004 PolarHBondContact O-N 2.84Å; Y1001-V1004 PolarHBondContact O-N 3.15Å; D1002-V1004 VanDerWaalsContact C-N 3.35Å; D1002-V1004 PolarHBondContact O-N 2.96Å; V1004-K1006 PolarHBondContact O-N 3.03Å; V1004-L1007 WeakPolarHBondContact O-CB 3.38Å; V1004-L1007 PolarHBondContact O-N 3.32Å; V1004-I1008 HydrophobicContact CG1-CD1 4.1Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.48Å; V1004-I1008 PolarHBondContact O-N 3.44Å
1005	R	97.8	Very high	96.9	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.038	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-49	175.2	-175	-165.3	69.6	87.5	-0.3	111.1	Y1001 D1002 L1007 I1008 I1009 V1017 T1021	Y1001-R1005 WeakPolarHBondContact O-CB 3.37Å; Y1001-R1005 PolarHBondContact O-N 3.46Å; D1002-R1005 WeakPolarHBondContact O-CB 3.2Å; D1002-R1005 PolarHBondContact O-N 3.41Å; D1002-R1005 IonicContact OD1-CZ 2.64Å; D1002-R1005 IonicContact OD1-NE 3.92Å; D1002-R1005 PolarHBondContact OD1-NE 3.26Å; D1002-R1005 IonicContact OD1-NH2 3.14Å; D1002-R1005 PolarHBondContact OD1-NH2 3.39Å; D1002-R1005 IonicContact OD2-NH2 3.63Å; R1005-L1007 VanDerWaalsContact C-N 3.33Å; R1005-L1007 PolarHBondContact O-N 2.89Å; R1005-I1008 WeakPolarHBondContact O-CB 3.17Å; R1005-I1008 PolarHBondContact O-N 3.06Å; R1005-I1008 VanDerWaalsContact O-N 3.11Å; R1005-I1009 WeakPolarHBondContact O-CG1 3.28Å; R1005-I1009 PolarHBondContact O-N 2.98Å; R1005-V1017 HydrophobicContact CG-CG1 3.64Å; R1005-T1021 WeakPolarHBondContact CD-OG1 3.48Å; R1005-T1021 PolarHBondContact NH1-O 3.44Å; R1005-T1021 PolarHBondContact NH1-OG1 3.1Å
1006	K	97.8	Very high	96.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-37.5	176.7	-68.3	-176	-61.1	-147	0	112	I936 T939 N942 D1002 V1004 I1008 I1009 R1010	I936-K1006 PolarHBondContact O-NZ 3.45Å; T939-K1006 VanDerWaalsContact O-CD 3.23Å; T939-K1006 WeakPolarHBondContact O-CD 3.44Å; T939-K1006 PolarHBondContact O-NZ 2.89Å; T939-K1006 PolarHBondContact OG1-NZ 3.5Å; T939-K1006 VanDerWaalsContact OG1-NZ 3.07Å; N942-K1006 WeakPolarHBondContact O-CD 3.3Å; N942-K1006 WeakPolarHBondContact O-CE 3.46Å; D1002-K1006 WeakPolarHBondContact O-CB 3.28Å; D1002-K1006 VanDerWaalsContact O-CG 3.3Å; D1002-K1006 WeakPolarHBondContact O-CG 3.28Å; D1002-K1006 PolarHBondContact O-N 3.46Å; D1002-K1006 VanDerWaalsContact OD2-CD 3.26Å; D1002-K1006 WeakPolarHBondContact OD2-CD 3.1Å; D1002-K1006 WeakPolarHBondContact OD2-CE 3.47Å; D1002-K1006 IonicContact OD2-NZ 3.77Å; D1002-K1006 PolarHBondContact OD2-NZ 2.78Å; V1004-K1006 PolarHBondContact O-N 3.03Å; K1006-I1008 VanDerWaalsContact C-N 3.33Å; K1006-I1008 PolarHBondContact O-N 3.37Å; K1006-I1009 PolarHBondContact O-N 2.9Å; K1006-R1010 VanDerWaalsContact CB-NH1 3.33Å; K1006-R1010 WeakPolarHBondContact O-CG 3.47Å; K1006-R1010 PolarHBondContact O-N 2.7Å; K1006-R1010 PolarHBondContact O-NH1 2.89Å
1007	L	97.5	Very high	96.6	Very high	86 Å²	86	63.1 Å²	63.1	45%	0.45	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-41.9	172.2	179	64.8	0	0	0	111.9	E1003 V1004 R1005 R1010 R1011	E1003-L1007 WeakPolarHBondContact O-CB 3.18Å; E1003-L1007 PolarHBondContact O-N 3.49Å; V1004-L1007 WeakPolarHBondContact O-CB 3.38Å; V1004-L1007 PolarHBondContact O-N 3.32Å; R1005-L1007 VanDerWaalsContact C-N 3.33Å; R1005-L1007 PolarHBondContact O-N 2.89Å; L1007-R1010 PolarHBondContact O-N 2.88Å; L1007-R1011 WeakPolarHBondContact O-CB 3.42Å; L1007-R1011 PolarHBondContact O-N 3.02Å
1008	I	97.4	Very high	96.4	Very high	56 Å²	56	60.4 Å²	60.4	29%	0.287	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-42.2	177.2	-64.2	165.2	0	0	0	110.8	V1004 R1005 K1006 R1010 R1011 R1012 V1017	V1004-I1008 HydrophobicContact CG1-CD1 4.1Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.48Å; V1004-I1008 PolarHBondContact O-N 3.44Å; R1005-I1008 WeakPolarHBondContact O-CB 3.17Å; R1005-I1008 PolarHBondContact O-N 3.06Å; R1005-I1008 VanDerWaalsContact O-N 3.11Å; K1006-I1008 VanDerWaalsContact C-N 3.33Å; K1006-I1008 PolarHBondContact O-N 3.37Å; I1008-R1010 PolarHBondContact O-N 3.24Å; I1008-R1011 PolarHBondContact O-N 2.77Å; I1008-R1012 PolarHBondContact O-N 3.41Å; I1008-V1017 HydrophobicContact CG2-CB 4.13Å; I1008-V1017 HydrophobicContact CG2-CG2 3.72Å
1009	I	97.2	Very high	96.1	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-47.9	175.4	-68.8	169.9	0	0	0	110.9	R941 R1005 K1006 R1011 R1012 V1017 E1018	R941-I1009 HydrophobicContact CG-CG2 4.29Å; R941-I1009 VanDerWaalsContact NH1-CG2 3.34Å; R1005-I1009 WeakPolarHBondContact O-CG1 3.28Å; R1005-I1009 PolarHBondContact O-N 2.98Å; K1006-I1009 PolarHBondContact O-N 2.9Å; I1009-R1011 VanDerWaalsContact C-N 3.33Å; I1009-R1011 PolarHBondContact O-N 2.85Å; I1009-R1012 CarbonylContact O-C 3.59Å; I1009-R1012 PolarHBondContact O-N 3.12Å; I1009-V1017 HydrophobicContact CD1-CG1 4.19Å; I1009-V1017 HydrophobicContact CG1-CB 4.32Å; I1009-V1017 HydrophobicContact CG1-CG1 3.74Å; I1009-E1018 HydrophobicContact CG1-CB 4.45Å; I1009-E1018 HydrophobicContact CG2-CB 4.35Å; I1009-E1018 HydrophobicContact CG2-CG 4.31Å
1010	R	96.7	Very high	96	Very high	55 Å²	55	68.2 Å²	68.2	21%	0.208	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-37.9	178.8	-68.6	-173.9	-59.3	-94.3	7.7	112.2	R941 E1003 K1006 L1007 I1008	R941-R1010 HydrophobicContact CG-CG 4.26Å; R941-R1010 WeakPolarHBondContact O-CD 3.22Å; R941-R1010 PolarHBondContact O-NH1 3.17Å; E1003-R1010 IonicContact OE1-NH1 2.81Å; E1003-R1010 IonicContact OE1-NH2 3.94Å; E1003-R1010 PolarHBondContact OE1-NH2 3.22Å; E1003-R1010 VanDerWaalsContact OE1-NH2 3.13Å; K1006-R1010 VanDerWaalsContact CB-NH1 3.33Å; K1006-R1010 WeakPolarHBondContact O-CG 3.47Å; K1006-R1010 PolarHBondContact O-N 2.7Å; K1006-R1010 PolarHBondContact O-NH1 2.89Å; L1007-R1010 PolarHBondContact O-N 2.88Å; I1008-R1010 PolarHBondContact O-N 3.24Å
1011	R	96.6	Very high	95.8	Very high	176 Å²	176	65.1 Å²	65.1	66%	0.664	31%	0.312	S	S	*	.	H	α-helix	trans	-80.4	-25.2	-178	-161.8	178.2	70.7	-177.4	0.8	113.5	L1007 I1008 I1009	L1007-R1011 WeakPolarHBondContact O-CB 3.42Å; L1007-R1011 PolarHBondContact O-N 3.02Å; I1008-R1011 PolarHBondContact O-N 2.77Å; I1009-R1011 VanDerWaalsContact C-N 3.33Å; I1009-R1011 PolarHBondContact O-N 2.85Å
1012	R	94.7	Very high	95.7	Very high	165 Å²	165	63.8 Å²	63.8	62%	0.623	31%	0.307	S	S	*	.	S	Bend	trans	-132.1	70.9	-178.6	-69.2	-171.2	173.5	179.8	-1.5	111.4	I1008 I1009 G1015	I1008-R1012 PolarHBondContact O-N 3.41Å; I1009-R1012 CarbonylContact O-C 3.59Å; I1009-R1012 PolarHBondContact O-N 3.12Å; R1012-G1015 PolarHBondContact O-N 3.07Å; R1012-G1015 VanDerWaalsContact O-N 3.14Å
1013	P	93.2	Very high	95.4	Very high	91 Å²	91	64.3 Å²	64.3	59%	0.591	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	138.7	173.5	27.7	-34.1	0	0	0	110.7	G1015 E1018	P1013-G1015 VanDerWaalsContact C-N 3.25Å; P1013-G1015 PolarHBondContact O-N 2.91Å; P1013-E1018 VanDerWaalsContact CA-OE2 3.27Å; P1013-E1018 WeakPolarHBondContact CA-OE2 3.22Å
1014	G	91.4	Very high	95.3	Very high	50 Å²	50	66.4 Å²	66.4	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-2	-173.3	0	0	0	0	0	114.9	E1018 K1019	G1014-E1018 PolarHBondContact N-OE2 2.85Å; G1014-K1019 WeakPolarHBondContact O-CE 3.29Å
1015	G	92.3	Very high	95.1	Very high	23 Å²	23	66.1 Å²	66.1	24%	0.237	31%	0.313	C	S	.	.	S	Bend	trans	-73.7	174.1	-178.7	0	0	0	0	0	114.3	R1012 P1013 V1017 E1018 K1019	R1012-G1015 PolarHBondContact O-N 3.07Å; R1012-G1015 VanDerWaalsContact O-N 3.14Å; P1013-G1015 VanDerWaalsContact C-N 3.25Å; P1013-G1015 PolarHBondContact O-N 2.91Å; G1015-V1017 PolarHBondContact O-N 3.22Å; G1015-E1018 PolarHBondContact O-N 3.2Å; G1015-K1019 PolarHBondContact O-N 3.18Å
1016	W	94.9	Very high	95	Very high	185 Å²	185	69.2 Å²	69.2	70%	0.701	33%	0.328	S	S	*	.	H	α-helix	trans	-56.4	-45.4	-179.4	-175.3	79.4	0	0	0	112.8	E1018 K1019 E1020	W1016-E1018 VanDerWaalsContact C-N 3.29Å; W1016-E1018 PolarHBondContact O-N 2.98Å; W1016-K1019 PolarHBondContact O-N 3.18Å; W1016-K1019 VanDerWaalsContact O-N 3.11Å; W1016-E1020 HydrophobicContact CD2-CG 3.89Å; W1016-E1020 VanDerWaalsContact CE2-CG 3.48Å; W1016-E1020 HydrophobicContact CE3-CG 4.49Å; W1016-E1020 HydrophobicContact CG-CG 4.21Å; W1016-E1020 HydrophobicContact CH2-CG 4.4Å; W1016-E1020 HydrophobicContact CZ2-CG 3.78Å; W1016-E1020 WeakPolarHBondContact O-CG 3.36Å; W1016-E1020 PolarHBondContact O-N 3.14Å
1017	V	94.9	Very high	94.8	Very high	28 Å²	28	73.3 Å²	73.3	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-37.7	-179.7	-176.4	0	0	0	0	112	R1005 I1008 I1009 G1015 T1021	R1005-V1017 HydrophobicContact CG-CG1 3.64Å; I1008-V1017 HydrophobicContact CG2-CB 4.13Å; I1008-V1017 HydrophobicContact CG2-CG2 3.72Å; I1009-V1017 HydrophobicContact CD1-CG1 4.19Å; I1009-V1017 HydrophobicContact CG1-CB 4.32Å; I1009-V1017 HydrophobicContact CG1-CG1 3.74Å; G1015-V1017 PolarHBondContact O-N 3.22Å; V1017-T1021 WeakPolarHBondContact CG1-OG1 3.44Å; V1017-T1021 WeakPolarHBondContact O-CB 3.4Å; V1017-T1021 PolarHBondContact O-N 3.48Å; V1017-T1021 PolarHBondContact O-OG1 2.93Å
1018	E	94.2	Very high	94.6	Very high	35 Å²	35	72.5 Å²	72.5	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-41.7	176.4	-173.9	168	-151.3	0	0	111.5	R941 I1009 P1013 G1014 G1015 W1016 E1020 Y1022	R941-E1018 IonicContact CZ-OE1 3.16Å; R941-E1018 IonicContact NH1-OE1 3.21Å; R941-E1018 PolarHBondContact NH1-OE1 3.47Å; I1009-E1018 HydrophobicContact CG1-CB 4.45Å; I1009-E1018 HydrophobicContact CG2-CB 4.35Å; I1009-E1018 HydrophobicContact CG2-CG 4.31Å; P1013-E1018 VanDerWaalsContact CA-OE2 3.27Å; P1013-E1018 WeakPolarHBondContact CA-OE2 3.22Å; G1014-E1018 PolarHBondContact N-OE2 2.85Å; G1015-E1018 PolarHBondContact O-N 3.2Å; W1016-E1018 VanDerWaalsContact C-N 3.29Å; W1016-E1018 PolarHBondContact O-N 2.98Å; E1018-E1020 VanDerWaalsContact C-N 3.33Å; E1018-E1020 PolarHBondContact O-N 3.12Å; E1018-Y1022 HydrophobicContact CG-CD1 4.12Å; E1018-Y1022 HydrophobicContact CG-CG 4.29Å; E1018-Y1022 WeakPolarHBondContact O-CB 3.39Å; E1018-Y1022 PolarHBondContact O-N 2.95Å
1019	K	92.6	Very high	94.4	Very high	131 Å²	131	73.6 Å²	73.6	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-68	-29.8	179.6	-68.3	-176	-178.8	-177.8	0	113.9	R848 G1014 G1015 W1016	R848-K1019 WeakPolarHBondContact CD-O 3.38Å; R848-K1019 PolarHBondContact NE-O 3.06Å; R848-K1019 PolarHBondContact NH2-O 3.32Å; G1014-K1019 WeakPolarHBondContact O-CE 3.29Å; G1015-K1019 PolarHBondContact O-N 3.18Å; W1016-K1019 PolarHBondContact O-N 3.18Å; W1016-K1019 VanDerWaalsContact O-N 3.11Å
1020	E	94.6	Very high	94.2	Very high	84 Å²	84	78.8 Å²	78.8	39%	0.393	37%	0.369	S	S	.	.	H	α-helix	trans	-97.1	-32.2	-176.8	-62.7	-60.4	159.3	0	0	113.5	R848 W1016 E1018	R848-E1020 WeakPolarHBondContact CB-O 3.47Å; W1016-E1020 HydrophobicContact CD2-CG 3.89Å; W1016-E1020 VanDerWaalsContact CE2-CG 3.48Å; W1016-E1020 HydrophobicContact CE3-CG 4.49Å; W1016-E1020 HydrophobicContact CG-CG 4.21Å; W1016-E1020 HydrophobicContact CH2-CG 4.4Å; W1016-E1020 HydrophobicContact CZ2-CG 3.78Å; W1016-E1020 WeakPolarHBondContact O-CG 3.36Å; W1016-E1020 PolarHBondContact O-N 3.14Å; E1018-E1020 VanDerWaalsContact C-N 3.33Å; E1018-E1020 PolarHBondContact O-N 3.12Å
1021	T	95.1	Very high	94.1	Very high	8 Å²	8	80.6 Å²	80.6	5%	0.049	38%	0.381	C	S	.	.	H	α-helix	trans	-122.8	-9.8	-167.2	74.9	0	0	0	0	115	M852 R1005 V1017 Y1023	M852-T1021 WeakPolarHBondContact CG-O 3.43Å; M852-T1021 VanDerWaalsContact SD-CB 3.54Å; M852-T1021 HydrophobicContact SD-CG2 3.86Å; R1005-T1021 WeakPolarHBondContact CD-OG1 3.48Å; R1005-T1021 PolarHBondContact NH1-O 3.44Å; R1005-T1021 PolarHBondContact NH1-OG1 3.1Å; V1017-T1021 WeakPolarHBondContact CG1-OG1 3.44Å; V1017-T1021 WeakPolarHBondContact O-CB 3.4Å; V1017-T1021 PolarHBondContact O-N 3.48Å; V1017-T1021 PolarHBondContact O-OG1 2.93Å; T1021-Y1023 WeakPolarHBondContact O-CD1 3.42Å; T1021-Y1023 PolarHBondContact O-N 3.08Å; T1021-Y1023 VanDerWaalsContact O-N 3.17Å
1022	Y	96.3	Very high	93.8	Very high	59 Å²	59	72.7 Å²	72.7	23%	0.231	36%	0.358	C	S	.	.			trans	-85.5	91.2	175.5	-174.2	-121.3	0	0	0	109.5	R848 R940 R941 E1018	R848-Y1022 VanDerWaalsContact CD-O 3.27Å; R848-Y1022 WeakPolarHBondContact CD-O 3.36Å; R848-Y1022 PolarHBondContact NH1-O 3.42Å; R940-Y1022 HydrophobicContact CB-CD2 4.48Å; R940-Y1022 HydrophobicContact CB-CE2 3.9Å; R941-Y1022 HydrophobicContact CB-CE2 3.88Å; E1018-Y1022 HydrophobicContact CG-CD1 4.12Å; E1018-Y1022 HydrophobicContact CG-CG 4.29Å; E1018-Y1022 WeakPolarHBondContact O-CB 3.39Å; E1018-Y1022 PolarHBondContact O-N 2.95Å
1023	Y	92	Very high	93.8	Very high	13 Å²	13	64.3 Å²	64.3	5%	0.051	33%	0.334	C	S	.	.			trans	-77.4	0	178.9	57	-94.2	0	0	0	112.5	K773 A777 N846 L849 M852 R940 T1021	K773-Y1023 PolarHBondContact NZ-OXT 2.98Å; A777-Y1023 HydrophobicContact CB-CE2 3.96Å; N846-Y1023 PolarHBondContact ND2-OXT 2.85Å; L849-Y1023 HydrophobicContact CB-CG 4.25Å; L849-Y1023 HydrophobicContact CD1-CD2 4.06Å; L849-Y1023 HydrophobicContact CG-CD2 4.12Å; L849-Y1023 HydrophobicContact CG-CG 4.26Å; M852-Y1023 HydrophobicContact CB-CD1 4.08Å; M852-Y1023 HydrophobicContact CB-CE1 4.2Å; M852-Y1023 HydrophobicContact CG-CD1 3.92Å; M852-Y1023 HydrophobicContact CG-CE1 4.22Å; R940-Y1023 HydrophobicContact CG-CD2 4.27Å; R940-Y1023 HydrophobicContact CG-CE2 3.68Å; R940-Y1023 PolarHBondContact NE-O 3.33Å; R940-Y1023 PolarHBondContact NH2-O 2.84Å; R940-Y1023 PolarHBondContact NH2-OXT 2.77Å; T1021-Y1023 WeakPolarHBondContact O-CD1 3.42Å; T1021-Y1023 PolarHBondContact O-N 3.08Å; T1021-Y1023 VanDerWaalsContact O-N 3.17Å

Retrieved 1,023 of 1,023 residues in 494.9 ms (Link to these results)

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