A0A087Y0K7_POEFO Loading...

Presequence protease, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y0K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,025 aa.

						>A0A087Y0K7_POEFO|A0A087Y0K7
MFRLTKTVLQRLHVRLNGRHQAWRLRSSSAREQAVEYQPGQKIHGFTVREVAAIPDLCLTAVKLTHDQTGAQYLHAARDDSNNLFSVQFRTTPRDSTGVPHILEHTVLCGSEKYPCRDPFFKMLNRSLSTFMNAFTASDYTMYPFSTQNGKDFQNLLSVYLDAVFFPCLREQDFWQEGWRLENEDPTNPSSPLVFKGVVFNEMKGAFSDSERLYAQHLQNKLYPDHTYSVVSGGEPLAIPDLTWEQLKQFHATHYHPSNARFFTYGDLPLENHLQQIQEEALCKFDRINARTEVPSQPHWSSPREDHVTCSPDALAPDPTKQNTLCMSYLLGDITDSFEGFTLSLLSSLMVSGPNSPFYQSLIDPKIGSDFSSVVGYDGSTKEASFSIGLQGMAEHDTERVKQIINQTIDDIIEKGFEDERIESLLHKIEIQMKHQSTNFGLALASYIAPSWNHDGDPVELLRISDSVAKFRQALKENPHFLQDKVRYYFKENTHRLTLRMSPDEAFLEKQAKAEEEKLQEKISVLTDSDRKEIYQKGLELLAAQSKTQDASCLPALRVSDIQPTIPFTAVQLSTAGHVPVQYCEQPTNGLVYFRAMCSLNTLPEDLRVYVPLFCSIITKMGCGDLDYRQQAQQMERRTGGMSVSTQVIPDCTQMDTFEQGVLLFSFCLDRNLPHMFKLWSDIFNSPHFDSEERLHVLVMMAAQELANGISDSGHMYAMTRAGRHLTPAGELQETFGGMEQVKFLKRIAEMPDLSQVIRVLPRIKKHLLNPENMRCAMNAAPQIISDSAKELESFIKDVAENRKERKLIRANVIKKPLDPLDDSGPTRKLITEPHFQPCQMKTFFQMPFPVNFVSESIRTVPFCHQDYASLCILARMMTAKFLHGEIREKGGAYGGGAKMGGSGVFSFYSYRDPNSVQTLSAFRRGVDWAKSGQFSQQDIDEAKLSVFSAVDSPVAPSDKGTSRFRSGVTDEMKQSYREQLFAVHHKGLVEVAERYLSVGQSTCGVAILGPENDAIKKDPTWILK
					

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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	25.8	Very low	26.2	Very low	233 Å²	233	178.6 Å²	178.6	100%	1.148	86%	0.863	S	S	*	*				0	125.8	0	-90.6	-174.9	-143.8	0	0	108.6
2	F	24.5	Very low	26.3	Very low	172 Å²	172	178.2 Å²	178.2	75%	0.754	87%	0.867	S	S	*	*			trans	43.6	105.9	151.8	-73.5	-86.7	0	0	0	118.8
3	R	24.2	Very low	26.4	Very low	208 Å²	208	178.8 Å²	178.8	79%	0.785	87%	0.866	S	S	*	*				86.7	133.3	92.3	-94.6	-162.4	-175.6	174.1	-2.7	114.2
4	L	26.7	Very low	26.4	Very low	142 Å²	142	176.1 Å²	176.1	74%	0.743	87%	0.866	S	S	*	*			trans	71.7	117.2	155.6	-66.7	148.8	0	0	0	114.4
5	T	26.6	Very low	26.5	Very low	141 Å²	141	180 Å²	180	87%	0.865	87%	0.867	S	S	*	*				-148.8	121.8	79	30.5	0	0	0	0	113.5
6	K	26.8	Very low	26.5	Very low	188 Å²	188	179.7 Å²	179.7	82%	0.817	87%	0.87	S	S	*	*			trans	-68.5	160.3	154.6	-89	175.9	170	177.4	0	109.2
7	T	27.1	Very low	26.6	Very low	134 Å²	134	179.8 Å²	179.8	82%	0.822	88%	0.876	S	S	*	*			trans	111.3	63.6	152.3	-28	0	0	0	0	116.7
8	V	26.9	Very low	26.6	Very low	136 Å²	136	173.3 Å²	173.3	82%	0.824	86%	0.864	S	S	*	*	S	Bend	trans	-153.6	94.2	142	-176.1	0	0	0	0	107.8
9	L	26.2	Very low	26.6	Very low	176 Å²	176	175.8 Å²	175.8	92%	0.921	86%	0.862	S	S	*	*			trans	168.8	69.3	156.9	-94.2	149.2	0	0	0	110
10	Q	27.5	Very low	26.6	Very low	194 Å²	194	177.3 Å²	177.3	91%	0.907	87%	0.867	S	S	*	*			trans	-139.9	86.7	162.5	-102.4	-175.2	-13.7	0	0	107.3
11	R	25.8	Very low	26.5	Very low	241 Å²	241	175.3 Å²	175.3	91%	0.909	86%	0.856	S	S	*	*			trans	179.9	80.5	159.9	-102.6	170.8	-168	-157.1	4.3	108.7
12	L	27.6	Very low	26.7	Very low	173 Å²	173	168.6 Å²	168.6	91%	0.906	84%	0.837	S	S	*	*			trans	-178.3	66.5	153.3	-98.2	147.5	0	0	0	107.9
13	H	27.5	Very low	26.7	Very low	186 Å²	186	170.2 Å²	170.2	86%	0.861	84%	0.838	S	S	*	*			trans	-129	140.8	161.7	-100.7	31.5	0	0	0	105.9
14	V	26.8	Very low	26.9	Very low	142 Å²	142	171.2 Å²	171.2	86%	0.861	84%	0.842	S	S	*	*			trans	97	79.1	-173.6	-168.9	0	0	0	0	114.6
15	R	26.9	Very low	27.1	Very low	234 Å²	234	170.7 Å²	170.7	88%	0.883	84%	0.839	S	S	*	*				171	105.7	124.7	-97.4	-179.3	179.2	-171.5	0.4	108.7
16	L	27.3	Very low	27.5	Very low	175 Å²	175	175.6 Å²	175.6	92%	0.916	84%	0.842	S	S	*	*			trans	-174.7	66.6	148.7	-96.6	158.2	0	0	0	107.5	G18	L16-G18 PolarHBondContact O-N 3.28Å
17	N	28.7	Very low	28.6	Very low	181 Å²	181	171.3 Å²	171.3	97%	0.968	84%	0.835	S	S	*	*			trans	-81.5	104.2	157.3	-102.6	-5.5	0	0	0	106.4
18	G	26	Very low	30.4	Very low	64 Å²	64	167 Å²	167	66%	0.66	81%	0.811	S	S	*	*			trans	-160.3	91.7	179.8	0	0	0	0	0	111.3	L16	L16-G18 PolarHBondContact O-N 3.28Å
19	R	26.9	Very low	33.3	Very low	220 Å²	220	161.8 Å²	161.8	83%	0.83	78%	0.781	S	S	*	*			trans	46.3	84.2	157.3	-64.9	-179.3	175.9	179.3	-1.8	116.8	Q21	R19-Q21 PolarHBondContact O-N 2.63Å
20	H	26.8	Very low	36.4	Very low	205 Å²	205	154 Å²	154	95%	0.949	74%	0.742	S	S	*	*			trans	-70.7	76.9	145.5	-80.6	-66.6	0	0	0	108.9	A22	H20-A22 PolarHBondContact O-N 3.05Å
21	Q	24.9	Very low	39.5	Very low	137 Å²	137	148.7 Å²	148.7	64%	0.64	71%	0.713	S	S	*	*			trans	-79.9	102.4	160.6	-121.7	172.9	-12.5	0	0	106	R19 W23	R19-Q21 PolarHBondContact O-N 2.63Å; Q21-W23 VanDerWaalsContact C-N 3.26Å; Q21-W23 PolarHBondContact O-N 2.95Å
22	A	28.4	Very low	42.6	Very low	91 Å²	91	142.8 Å²	142.8	75%	0.752	70%	0.696	S	S	*	*			trans	-58.5	93.1	165.8	0	0	0	0	0	108.6	H20 R24	H20-A22 PolarHBondContact O-N 3.05Å; A22-R24 PolarHBondContact O-N 2.73Å
23	W	25.9	Very low	45.7	Very low	206 Å²	206	138.4 Å²	138.4	78%	0.78	67%	0.671	S	S	*	*			trans	-75	68.5	159.6	-91.2	55.6	0	0	0	108	Q21 L25	Q21-W23 VanDerWaalsContact C-N 3.26Å; Q21-W23 PolarHBondContact O-N 2.95Å; W23-L25 HydrophobicContact CE3-CD1 3.78Å; W23-L25 HydrophobicContact CE3-CG 4.3Å; W23-L25 HydrophobicContact CZ3-CD1 3.87Å; W23-L25 PolarHBondContact O-N 3.4Å
24	R	27.7	Very low	48.8	Very low	229 Å²	229	129.8 Å²	129.8	86%	0.864	63%	0.632	S	S	*	*			trans	-78.8	90	146.2	-80.2	-171.5	-179.9	-165.5	0.3	104.9	A22 R26	A22-R24 PolarHBondContact O-N 2.73Å; R24-R26 VanDerWaalsContact C-N 3.29Å; R24-R26 PolarHBondContact O-N 2.96Å
25	L	30.4	Very low	52	Low	132 Å²	132	126.7 Å²	126.7	69%	0.691	61%	0.613	S	S	*	*			trans	-56	107.3	151.9	-92.5	151.4	0	0	0	104.9	W23 S27	W23-L25 HydrophobicContact CE3-CD1 3.78Å; W23-L25 HydrophobicContact CE3-CG 4.3Å; W23-L25 HydrophobicContact CZ3-CD1 3.87Å; W23-L25 PolarHBondContact O-N 3.4Å; L25-S27 PolarHBondContact O-N 3.12Å
26	R	36.3	Very low	55.3	Low	244 Å²	244	122.4 Å²	122.4	92%	0.921	60%	0.603	S	S	*	*			trans	-65.6	80.7	158.7	-73	-179.5	177.6	-177.7	-2.3	105.5	R24 S28	R24-R26 VanDerWaalsContact C-N 3.29Å; R24-R26 PolarHBondContact O-N 2.96Å; R26-S28 PolarHBondContact O-N 2.91Å
27	S	48.6	Very low	58.6	Low	97 Å²	97	115.1 Å²	115.1	68%	0.678	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-69.9	116.6	153.8	56.4	0	0	0	0	104.9	L25	L25-S27 PolarHBondContact O-N 3.12Å
28	S	65.8	Low	61.8	Low	45 Å²	45	112 Å²	112	32%	0.315	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-53.6	139.3	165.5	37.7	0	0	0	0	108.3	R26 E32 Q33	R26-S28 PolarHBondContact O-N 2.91Å; S28-E32 WeakPolarHBondContact CA-OE2 3.15Å; S28-Q33 PolarHBondContact O-NE2 3.45Å; S28-Q33 WeakPolarHBondContact OG-CG 3.37Å; S28-Q33 PolarHBondContact OG-NE2 2.98Å
29	S	88.3	Confident	65.2	Low	26 Å²	26	113 Å²	113	18%	0.182	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-61.7	153.5	179.1	122.9	0	0	0	0	110.3	R31 E32 Q33 D79	S29-R31 PolarHBondContact O-N 3.49Å; S29-R31 WeakPolarHBondContact OG-CB 3.4Å; S29-R31 PolarHBondContact OG-N 2.68Å; S29-E32 PolarHBondContact N-OE2 3.5Å; S29-E32 WeakPolarHBondContact O-CA 3.46Å; S29-E32 WeakPolarHBondContact O-CB 3.46Å; S29-E32 PolarHBondContact O-N 2.65Å; S29-E32 PolarHBondContact OG-N 3.26Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.83Å; S29-D79 WeakPolarHBondContact CA-OD1 3.38Å; S29-D79 VanDerWaalsContact CB-OD1 3.29Å; S29-D79 WeakPolarHBondContact CB-OD1 3.33Å; S29-D79 WeakPolarHBondContact CB-OD2 3.11Å; S29-D79 PolarHBondContact OG-OD1 2.83Å; S29-D79 PolarHBondContact OG-OD2 2.78Å
30	A	91.1	Very high	68.6	Low	13 Å²	13	104.9 Å²	104.9	11%	0.107	52%	0.523	C	S	.	.	H	α-helix	trans	-55.7	-37	179.6	0	0	0	0	0	111.2	Q33 A34 D79 D267	A30-Q33 PolarHBondContact O-N 3.49Å; A30-A34 WeakPolarHBondContact O-CB 3.3Å; A30-A34 PolarHBondContact O-N 3.12Å; A30-D79 PolarHBondContact N-OD1 2.92Å; A30-D267 HydrophobicContact CB-CB 4.13Å
31	R	91.5	Very high	72	Confident	82 Å²	82	98.6 Å²	98.6	31%	0.309	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-44.3	174.2	-176.2	-169.3	170.1	-173.9	-3.2	112.2	S29 V35 T60	S29-R31 PolarHBondContact O-N 3.49Å; S29-R31 WeakPolarHBondContact OG-CB 3.4Å; S29-R31 PolarHBondContact OG-N 2.68Å; R31-V35 WeakPolarHBondContact O-CG2 3.44Å; R31-V35 PolarHBondContact O-N 3.02Å; R31-T60 WeakPolarHBondContact CG-OG1 3.41Å; R31-T60 PolarHBondContact O-OG1 3.05Å; R31-T60 VanDerWaalsContact O-OG1 3.11Å
32	E	90.6	Very high	75.5	Confident	116 Å²	116	99 Å²	99	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-66.8	-41.9	179.9	-66.3	176.5	158	0	0	111.1	S28 S29 V35	S28-E32 WeakPolarHBondContact CA-OE2 3.15Å; S29-E32 PolarHBondContact N-OE2 3.5Å; S29-E32 WeakPolarHBondContact O-CA 3.46Å; S29-E32 WeakPolarHBondContact O-CB 3.46Å; S29-E32 PolarHBondContact O-N 2.65Å; S29-E32 PolarHBondContact OG-N 3.26Å; E32-V35 PolarHBondContact O-N 3.18Å
33	Q	92.6	Very high	78.8	Confident	82 Å²	82	95.2 Å²	95.2	38%	0.383	46%	0.461	S	S	.	.	H	α-helix	trans	-61.4	-44	175.8	-67.2	177.3	15.1	0	0	111.6	S28 S29 A30 V35 E36	S28-Q33 PolarHBondContact O-NE2 3.45Å; S28-Q33 WeakPolarHBondContact OG-CG 3.37Å; S28-Q33 PolarHBondContact OG-NE2 2.98Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.83Å; A30-Q33 PolarHBondContact O-N 3.49Å; Q33-V35 PolarHBondContact O-N 3.49Å; Q33-E36 WeakPolarHBondContact O-CB 3.08Å; Q33-E36 PolarHBondContact O-N 2.99Å
34	A	94.5	Very high	82.3	Confident	4 Å²	4	89.3 Å²	89.3	3%	0.033	44%	0.442	C	S	.	.	H	α-helix	trans	-65.4	-21.4	-179.3	0	0	0	0	0	114.3	A30 E36 Y37 V51 T60 V62 A77	A30-A34 WeakPolarHBondContact O-CB 3.3Å; A30-A34 PolarHBondContact O-N 3.12Å; A34-E36 PolarHBondContact O-N 3.38Å; A34-Y37 HydrophobicContact CB-CD2 4.39Å; A34-Y37 HydrophobicContact CB-CE2 4.41Å; A34-Y37 WeakPolarHBondContact O-CD2 3.3Å; A34-V51 WeakPolarHBondContact O-CG1 3.46Å; A34-T60 HydrophobicContact CB-CG2 3.82Å; A34-V62 HydrophobicContact CB-CG2 4.12Å; A34-A77 HydrophobicContact CB-CB 3.41Å; A34-A77 VanDerWaalsContact CB-CB 3.41Å
35	V	93.9	Very high	85.6	Confident	78 Å²	78	79.8 Å²	79.8	47%	0.473	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.9	174.3	173.1	0	0	0	0	111.8	R31 E32 Q33 Y37 T60	R31-V35 WeakPolarHBondContact O-CG2 3.44Å; R31-V35 PolarHBondContact O-N 3.02Å; E32-V35 PolarHBondContact O-N 3.18Å; Q33-V35 PolarHBondContact O-N 3.49Å; V35-Y37 VanDerWaalsContact C-N 3.3Å; V35-Y37 PolarHBondContact O-N 3.3Å; V35-T60 HydrophobicContact CG2-CG2 4.08Å
36	E	94.8	Very high	88.9	Confident	143 Å²	143	73.5 Å²	73.5	67%	0.668	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.1	179.9	-59	-173.6	173.5	0	0	112.7	Q33 A34 Q38	Q33-E36 WeakPolarHBondContact O-CB 3.08Å; Q33-E36 PolarHBondContact O-N 2.99Å; A34-E36 PolarHBondContact O-N 3.38Å; E36-Q38 PolarHBondContact O-NE2 2.75Å; E36-Q38 VanDerWaalsContact O-NE2 3.15Å
37	Y	97.1	Very high	91.8	Very high	23 Å²	23	62.5 Å²	62.5	9%	0.09	34%	0.342	C	S	.	.			trans	-60	145.3	175.5	-65.5	-56.6	0	0	0	112.1	A34 V35 I43 V62 L270 E271	A34-Y37 HydrophobicContact CB-CD2 4.39Å; A34-Y37 HydrophobicContact CB-CE2 4.41Å; A34-Y37 WeakPolarHBondContact O-CD2 3.3Å; V35-Y37 VanDerWaalsContact C-N 3.3Å; V35-Y37 PolarHBondContact O-N 3.3Å; Y37-I43 HydrophobicContact CD1-CD1 3.74Å; Y37-I43 HydrophobicContact CE1-CD1 3.54Å; Y37-V62 HydrophobicContact CD2-CG1 4.26Å; Y37-V62 HydrophobicContact CD2-CG2 3.95Å; Y37-V62 HydrophobicContact CE2-CG2 4.48Å; Y37-L270 HydrophobicContact CE2-CD2 3.98Å; Y37-E271 VanDerWaalsContact CE1-OE1 3.28Å; Y37-E271 WeakPolarHBondContact CE1-OE1 3.12Å; Y37-E271 VanDerWaalsContact CZ-OE1 3.3Å; Y37-E271 PolarHBondContact OH-OE1 3.34Å; Y37-E271 PolarHBondContact OH-OE2 3Å
38	Q	96.6	Very high	94.2	Very high	116 Å²	116	57.9 Å²	57.9	54%	0.542	31%	0.31	S	S	.	.			trans	-119.2	137.8	-179.5	-60.4	-59.1	-47.1	0	0	111.3	E36 G40 Q41 V48	E36-Q38 PolarHBondContact O-NE2 2.75Å; E36-Q38 VanDerWaalsContact O-NE2 3.15Å; Q38-G40 PolarHBondContact O-N 3.46Å; Q38-Q41 VanDerWaalsContact N-OE1 3.13Å; Q38-Q41 WeakPolarHBondContact O-CB 3.45Å; Q38-Q41 PolarHBondContact O-N 2.96Å; Q38-V48 WeakPolarHBondContact O-CB 3.33Å
39	P	97.6	Very high	95.8	Very high	83 Å²	83	62.4 Å²	62.4	54%	0.539	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	131.3	168.3	-27.6	35.9	0	0	0	111.8
40	G	97.8	Very high	96.2	Very high	51 Å²	51	63.4 Å²	63.4	53%	0.526	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-10	-174.5	0	0	0	0	0	115.1	Q38 K42 V48	Q38-G40 PolarHBondContact O-N 3.46Å; G40-K42 PolarHBondContact O-N 2.99Å; G40-V48 PolarHBondContact N-O 3.39Å
41	Q	98.3	Very high	96.6	Very high	72 Å²	72	64.6 Å²	64.6	34%	0.336	33%	0.328	S	S	.	.			trans	-62.4	135.2	173.7	-177.1	177.6	-8.5	0	0	110.8	Q38 I43 T47 V48	Q38-Q41 VanDerWaalsContact N-OE1 3.13Å; Q38-Q41 WeakPolarHBondContact O-CB 3.45Å; Q38-Q41 PolarHBondContact O-N 2.96Å; Q41-I43 HydrophobicContact CG-CD1 4.28Å; Q41-I43 HydrophobicContact CG-CG1 4.02Å; Q41-T47 WeakPolarHBondContact O-CA 3.33Å; Q41-V48 HydrophobicContact CB-CB 4.4Å; Q41-V48 HydrophobicContact CB-CG2 4.15Å; Q41-V48 PolarHBondContact O-N 3.13Å
42	K	98.3	Very high	96.8	Very high	146 Å²	146	61 Å²	61	64%	0.635	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.3	177.9	-68.1	-166.4	170.8	-134.6	0	111.4	G40 F46 D67	G40-K42 PolarHBondContact O-N 2.99Å; K42-F46 CarbonylContact C-O 3.47Å; K42-F46 VanDerWaalsContact CA-O 3.3Å; K42-F46 WeakPolarHBondContact CA-O 3.38Å; K42-D67 IonicContact NZ-OD2 3.44Å; K42-D67 PolarHBondContact NZ-OD2 3.39Å
43	I	98.3	Very high	97	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.062	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	112.6	-176.6	-51	175.6	0	0	0	107.7	Y37 Q41 G45 F46 V48 E271 L274	Y37-I43 HydrophobicContact CD1-CD1 3.74Å; Y37-I43 HydrophobicContact CE1-CD1 3.54Å; Q41-I43 HydrophobicContact CG-CD1 4.28Å; Q41-I43 HydrophobicContact CG-CG1 4.02Å; I43-G45 VanDerWaalsContact C-N 3.31Å; I43-G45 PolarHBondContact O-N 3.25Å; I43-G45 VanDerWaalsContact O-N 3.11Å; I43-F46 PolarHBondContact N-O 2.95Å; I43-F46 WeakPolarHBondContact O-CB 3.41Å; I43-F46 PolarHBondContact O-N 3.01Å; I43-V48 HydrophobicContact CD1-CG2 4.07Å; I43-E271 HydrophobicContact CG2-CG 4.01Å; I43-L274 HydrophobicContact CB-CD1 4Å; I43-L274 HydrophobicContact CG2-CD1 3.73Å
44	H	98.1	Very high	97.1	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.375	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	45.8	175.1	-60.5	-69.5	0	0	0	115.4	F46 E271 L274 Q275 Q278	H44-F46 VanDerWaalsContact C-N 3.34Å; H44-F46 WeakPolarHBondContact O-CD2 3.39Å; H44-E271 PolarHBondContact CD2-O 3.09Å; H44-L274 HydrophobicContact CB-CB 4.22Å; H44-Q275 HydrophobicContact CB-CB 4.36Å; H44-Q278 WeakPolarHBondContact O-CB 3.24Å; H44-Q278 WeakPolarHBondContact O-CG 3.3Å
45	G	97.6	Very high	96.7	Very high	29 Å²	29	57.8 Å²	57.8	30%	0.299	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-2.8	179.9	0	0	0	0	0	115.1	I43 H66 D67	I43-G45 VanDerWaalsContact C-N 3.31Å; I43-G45 PolarHBondContact O-N 3.25Å; I43-G45 VanDerWaalsContact O-N 3.11Å; G45-H66 PolarHBondContact O-CD2 2.89Å; G45-D67 VanDerWaalsContact O-CB 3.3Å; G45-D67 WeakPolarHBondContact O-CB 3.28Å; G45-D67 PolarHBondContact O-N 3.13Å
46	F	98.8	Very high	96.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.7	174.2	-63.2	-102.3	0	0	0	111.4	K42 I43 H44 L64 T65 H66 Y73 L274 I277 Q278 L282	K42-F46 CarbonylContact C-O 3.47Å; K42-F46 VanDerWaalsContact CA-O 3.3Å; K42-F46 WeakPolarHBondContact CA-O 3.38Å; I43-F46 PolarHBondContact N-O 2.95Å; I43-F46 WeakPolarHBondContact O-CB 3.41Å; I43-F46 PolarHBondContact O-N 3.01Å; H44-F46 VanDerWaalsContact C-N 3.34Å; H44-F46 WeakPolarHBondContact O-CD2 3.39Å; F46-L64 HydrophobicContact CB-CB 4.22Å; F46-L64 HydrophobicContact CB-CD2 4.06Å; F46-L64 HydrophobicContact CD1-CB 4.4Å; F46-T65 WeakPolarHBondContact CA-O 3.31Å; F46-H66 HydrophobicContact CD1-CB 3.81Å; F46-H66 HydrophobicContact CE1-CB 3.61Å; F46-H66 HydrophobicContact CZ-CB 4.16Å; F46-Y73 AromaticContact CE1-CD2 3.96Å; F46-Y73 HydrophobicContact CE1-CD2 3.96Å; F46-Y73 HydrophobicContact CZ-CD2 4.41Å; F46-L274 HydrophobicContact CB-CD1 4.49Å; F46-L274 HydrophobicContact CD1-CD2 4.17Å; F46-L274 HydrophobicContact CD2-CB 4Å; F46-L274 HydrophobicContact CD2-CD2 3.85Å; F46-L274 HydrophobicContact CD2-CG 4.34Å; F46-L274 HydrophobicContact CE1-CD2 4.27Å; F46-L274 HydrophobicContact CE2-CB 4.16Å; F46-L274 HydrophobicContact CE2-CD2 3.97Å; F46-L274 HydrophobicContact CG-CD2 3.96Å; F46-L274 HydrophobicContact CZ-CD2 4.16Å; F46-I277 HydrophobicContact CZ-CG2 4.01Å; F46-Q278 HydrophobicContact CE2-CB 4.38Å; F46-L282 HydrophobicContact CE1-CD1 4.07Å; F46-L282 HydrophobicContact CE2-CD1 4.38Å; F46-L282 HydrophobicContact CZ-CD1 3.51Å
47	T	98.8	Very high	95.8	Very high	13 Å²	13	50.3 Å²	50.3	8%	0.08	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.8	171.2	-63.3	0	0	0	0	110.1	Q41 R49 L64 T65 D67	Q41-T47 WeakPolarHBondContact O-CA 3.33Å; T47-R49 PolarHBondContact O-N 3.49Å; T47-L64 WeakPolarHBondContact O-CA 3.08Å; T47-T65 PolarHBondContact N-O 3.4Å; T47-T65 PolarHBondContact O-N 2.92Å; T47-D67 WeakPolarHBondContact CB-OD1 3.36Å; T47-D67 PolarHBondContact OG1-OD1 2.87Å
48	V	98.8	Very high	95.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.1	172.9	179	0	0	0	0	109.5	Q38 G40 Q41 I43 V51 V62 L64	Q38-V48 WeakPolarHBondContact O-CB 3.33Å; G40-V48 PolarHBondContact N-O 3.39Å; Q41-V48 HydrophobicContact CB-CB 4.4Å; Q41-V48 HydrophobicContact CB-CG2 4.15Å; Q41-V48 PolarHBondContact O-N 3.13Å; I43-V48 HydrophobicContact CD1-CG2 4.07Å; V48-V51 HydrophobicContact CG1-CG2 3.87Å; V48-V62 HydrophobicContact CG1-CG1 4.07Å; V48-V62 HydrophobicContact CG2-CG1 4.46Å; V48-L64 HydrophobicContact CG2-CD2 3.85Å; V48-L64 HydrophobicContact CG2-CG 4.31Å
49	R	98.3	Very high	95.3	Very high	140 Å²	140	46 Å²	46	53%	0.528	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-44.2	-179.7	-61.6	-57.9	-175.2	-172.2	-5.9	112.4	T47 K63 T65	T47-R49 PolarHBondContact O-N 3.49Å; R49-K63 HydrophobicContact CB-CB 4.41Å; R49-K63 PolarHBondContact N-O 3.36Å; R49-T65 WeakPolarHBondContact CG-OG1 3.18Å; R49-T65 PolarHBondContact NE-OG1 3.09Å; R49-T65 VanDerWaalsContact NE-OG1 3.09Å
50	E	98.1	Very high	95.3	Very high	46 Å²	46	42 Å²	42	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.1	-176	-175.8	-177.2	177.3	0	0	109.6	V62 K63 R463	E50-V62 WeakPolarHBondContact O-CA 3.2Å; E50-K63 HydrophobicContact CB-CB 4.18Å; E50-K63 HydrophobicContact CB-CD 4.38Å; E50-K63 PolarHBondContact N-O 3.41Å; E50-K63 PolarHBondContact O-N 2.96Å; E50-K63 WeakPolarHBondContact OE2-CD 3.41Å; E50-K63 IonicContact OE2-NZ 3.27Å; E50-K63 PolarHBondContact OE2-NZ 3.44Å; E50-R463 IonicContact OE1-CZ 2.64Å; E50-R463 IonicContact OE1-NH2 3.54Å; E50-R463 PolarHBondContact OE1-NH2 3.45Å
51	V	98.1	Very high	95.3	Very high	39 Å²	39	39.6 Å²	39.6	24%	0.236	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	168.8	-178.5	0	0	0	0	107.1	A34 V48 T60 A61 V62	A34-V51 WeakPolarHBondContact O-CG1 3.46Å; V48-V51 HydrophobicContact CG1-CG2 3.87Å; V51-T60 HydrophobicContact CG1-CG2 3.79Å; V51-A61 CarbonylContact C-O 3.5Å; V51-A61 WeakPolarHBondContact CA-O 3.45Å; V51-V62 HydrophobicContact CG2-CG1 4.31Å
52	A	96.7	Very high	95.4	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.6	-175.1	0	0	0	0	0	110.9	I54 T60 A61 V459	A52-I54 HydrophobicContact CB-CD1 4.38Å; A52-T60 CarbonylContact O-C 3.55Å; A52-T60 WeakPolarHBondContact O-CA 3.28Å; A52-A61 HydrophobicContact CB-CB 4.5Å; A52-A61 PolarHBondContact N-O 2.67Å; A52-A61 PolarHBondContact O-N 2.93Å; A52-V459 HydrophobicContact CB-CG1 3.82Å
53	A	95.1	Very high	95.4	Very high	58 Å²	58	31.2 Å²	31.2	48%	0.479	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.1	172	0	0	0	0	0	110.2	P55	A53-P55 WeakPolarHBondContact O-CD 3.41Å
54	I	93.2	Very high	95.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	82.1	178.2	-48.4	-61.9	0	0	0	108.3	A52 D56 L57 C58 L59 A61 L462 R463	A52-I54 HydrophobicContact CB-CD1 4.38Å; I54-D56 VanDerWaalsContact C-N 3.3Å; I54-D56 PolarHBondContact O-N 2.74Å; I54-L57 HydrophobicContact CG2-CB 4.11Å; I54-L57 HydrophobicContact CG2-CD1 4.11Å; I54-L57 HydrophobicContact CG2-CG 4.04Å; I54-L57 PolarHBondContact O-N 2.9Å; I54-C58 PolarHBondContact O-N 3.44Å; I54-L59 CarbonylContact C-O 3.6Å; I54-L59 WeakPolarHBondContact CA-O 3.29Å; I54-L59 HydrophobicContact CB-CD1 3.67Å; I54-L59 HydrophobicContact CB-CG 4.08Å; I54-L59 HydrophobicContact CG1-CD1 3.72Å; I54-L59 HydrophobicContact CG2-CD1 4.47Å; I54-L59 PolarHBondContact N-O 3.38Å; I54-L59 PolarHBondContact O-N 3.21Å; I54-L59 VanDerWaalsContact O-N 3.15Å; I54-A61 HydrophobicContact CG1-CB 4.44Å; I54-L462 HydrophobicContact CD1-CB 4.43Å; I54-L462 HydrophobicContact CG1-CB 4.31Å; I54-L462 HydrophobicContact CG2-CB 4.27Å; I54-L462 WeakPolarHBondContact CG2-O 3.34Å; I54-R463 HydrophobicContact CD1-CG 3.7Å
55	P	87.5	Confident	95.4	Very high	75 Å²	75	28.5 Å²	28.5	49%	0.487	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-64.5	-32.2	-171.1	25.1	-33.7	0	0	0	113.3	A53 L57 C58	A53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-L57 PolarHBondContact O-N 3.43Å; P55-C58 PolarHBondContact O-N 2.95Å
56	D	83.2	Confident	95.5	Very high	56 Å²	56	27.3 Å²	27.3	30%	0.299	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-64.8	-28.5	-177.3	-55.6	-43.1	0	0	0	113.2	I54 M433 S465	I54-D56 VanDerWaalsContact C-N 3.3Å; I54-D56 PolarHBondContact O-N 2.74Å; D56-M433 HydrophobicContact CB-CE 3.49Å; D56-M433 VanDerWaalsContact CB-CE 3.49Å; D56-S465 PolarHBondContact OD1-OG 2.84Å; D56-S465 WeakPolarHBondContact OD2-CB 3.46Å; D56-S465 PolarHBondContact OD2-OG 3.39Å
57	L	86.7	Confident	95.5	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-103.6	7.3	177.7	-56.3	-176.8	0	0	0	112.2	I54 P55 L59 R78 M433 F440 L444 L462	I54-L57 HydrophobicContact CG2-CB 4.11Å; I54-L57 HydrophobicContact CG2-CD1 4.11Å; I54-L57 HydrophobicContact CG2-CG 4.04Å; I54-L57 PolarHBondContact O-N 2.9Å; P55-L57 PolarHBondContact O-N 3.43Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-L59 HydrophobicContact CB-CD2 3.6Å; L57-L59 HydrophobicContact CB-CG 3.93Å; L57-L59 HydrophobicContact CD1-CD2 4.24Å; L57-L59 PolarHBondContact O-N 2.96Å; L57-R78 PolarHBondContact O-NH1 2.9Å; L57-M433 HydrophobicContact CD2-CB 4.3Å; L57-M433 HydrophobicContact CD2-CE 4.46Å; L57-F440 HydrophobicContact CB-CZ 4.13Å; L57-F440 HydrophobicContact CD2-CZ 4.12Å; L57-F440 HydrophobicContact CG-CZ 4.48Å; L57-L444 HydrophobicContact CD1-CD2 4.3Å; L57-L462 HydrophobicContact CD1-CB 4.31Å; L57-L462 HydrophobicContact CD1-CD2 4.14Å
58	C	89	Confident	95.4	Very high	48 Å²	48	33.7 Å²	33.7	32%	0.324	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	39.9	-178	-62.5	0	0	0	0	113.9	I54 P55 R78	I54-C58 PolarHBondContact O-N 3.44Å; P55-C58 PolarHBondContact O-N 2.95Å; C58-R78 WeakPolarHBondContact O-CG 3.48Å
59	L	93.5	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	164	-176	66.7	85.1	0	0	0	113.5	I54 L57 A61 A77 R78 F440 L444 L462	I54-L59 CarbonylContact C-O 3.6Å; I54-L59 WeakPolarHBondContact CA-O 3.29Å; I54-L59 HydrophobicContact CB-CD1 3.67Å; I54-L59 HydrophobicContact CB-CG 4.08Å; I54-L59 HydrophobicContact CG1-CD1 3.72Å; I54-L59 HydrophobicContact CG2-CD1 4.47Å; I54-L59 PolarHBondContact N-O 3.38Å; I54-L59 PolarHBondContact O-N 3.21Å; I54-L59 VanDerWaalsContact O-N 3.15Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-L59 HydrophobicContact CB-CD2 3.6Å; L57-L59 HydrophobicContact CB-CG 3.93Å; L57-L59 HydrophobicContact CD1-CD2 4.24Å; L57-L59 PolarHBondContact O-N 2.96Å; L59-A61 HydrophobicContact CD1-CB 4.35Å; L59-A77 CarbonylContact C-O 3.44Å; L59-A77 VanDerWaalsContact CA-O 3.23Å; L59-A77 WeakPolarHBondContact CA-O 3.48Å; L59-A77 WeakPolarHBondContact CB-O 3.48Å; L59-R78 HydrophobicContact CB-CB 3.98Å; L59-F440 HydrophobicContact CD2-CE1 4.17Å; L59-L444 HydrophobicContact CD2-CD1 3.83Å; L59-L462 HydrophobicContact CD1-CD1 4.47Å
60	T	97.6	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.7	167.2	-62	0	0	0	0	108.6	R31 A34 V35 V51 A52 A77	R31-T60 WeakPolarHBondContact CG-OG1 3.41Å; R31-T60 PolarHBondContact O-OG1 3.05Å; R31-T60 VanDerWaalsContact O-OG1 3.11Å; A34-T60 HydrophobicContact CB-CG2 3.82Å; V35-T60 HydrophobicContact CG2-CG2 4.08Å; V51-T60 HydrophobicContact CG1-CG2 3.79Å; A52-T60 CarbonylContact O-C 3.55Å; A52-T60 WeakPolarHBondContact O-CA 3.28Å; T60-A77 PolarHBondContact N-O 3.2Å; T60-A77 PolarHBondContact O-N 3.43Å
61	A	98.2	Very high	95.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.9	176.4	0	0	0	0	0	110.7	V51 A52 I54 L59 L74 H75 V459	V51-A61 CarbonylContact C-O 3.5Å; V51-A61 WeakPolarHBondContact CA-O 3.45Å; A52-A61 HydrophobicContact CB-CB 4.5Å; A52-A61 PolarHBondContact N-O 2.67Å; A52-A61 PolarHBondContact O-N 2.93Å; I54-A61 HydrophobicContact CG1-CB 4.44Å; L59-A61 HydrophobicContact CD1-CB 4.35Å; A61-L74 HydrophobicContact CB-CD1 4.13Å; A61-H75 CarbonylContact C-O 3.57Å; A61-H75 WeakPolarHBondContact CA-O 3.44Å; A61-V459 HydrophobicContact CB-CG2 3.84Å
62	V	98.7	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	112.7	176.1	-172.7	0	0	0	0	108.4	A34 Y37 V48 E50 V51 L64 H75 L270	A34-V62 HydrophobicContact CB-CG2 4.12Å; Y37-V62 HydrophobicContact CD2-CG1 4.26Å; Y37-V62 HydrophobicContact CD2-CG2 3.95Å; Y37-V62 HydrophobicContact CE2-CG2 4.48Å; V48-V62 HydrophobicContact CG1-CG1 4.07Å; V48-V62 HydrophobicContact CG2-CG1 4.46Å; E50-V62 WeakPolarHBondContact O-CA 3.2Å; V51-V62 HydrophobicContact CG2-CG1 4.31Å; V62-L64 HydrophobicContact CB-CD1 4.43Å; V62-L64 HydrophobicContact CG1-CD1 3.93Å; V62-L64 HydrophobicContact CG1-CG 4.2Å; V62-L64 WeakPolarHBondContact O-CD1 3.45Å; V62-H75 HydrophobicContact CB-CB 4.27Å; V62-H75 PolarHBondContact N-O 2.91Å; V62-H75 PolarHBondContact O-N 2.92Å; V62-L270 HydrophobicContact CG1-CD2 4.35Å
63	K	98.6	Very high	95.6	Very high	42 Å²	42	26.2 Å²	26.2	18%	0.183	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132	175.3	-78.2	165.1	57.2	-173.2	0	109.7	R49 E50 Y73 L74 D457 V459	R49-K63 HydrophobicContact CB-CB 4.41Å; R49-K63 PolarHBondContact N-O 3.36Å; E50-K63 HydrophobicContact CB-CB 4.18Å; E50-K63 HydrophobicContact CB-CD 4.38Å; E50-K63 PolarHBondContact N-O 3.41Å; E50-K63 PolarHBondContact O-N 2.96Å; E50-K63 WeakPolarHBondContact OE2-CD 3.41Å; E50-K63 IonicContact OE2-NZ 3.27Å; E50-K63 PolarHBondContact OE2-NZ 3.44Å; K63-Y73 WeakPolarHBondContact CA-O 3.41Å; K63-L74 HydrophobicContact CG-CD1 3.72Å; K63-D457 IonicContact NZ-OD1 2.66Å; K63-D457 PolarHBondContact NZ-OD1 3.43Å; K63-D457 IonicContact NZ-OD2 3.5Å; K63-D457 PolarHBondContact NZ-OD2 3.13Å; K63-V459 HydrophobicContact CD-CB 4.08Å; K63-V459 HydrophobicContact CD-CG2 3.39Å; K63-V459 HydrophobicContact CG-CG2 3.89Å
64	L	98.8	Very high	95.7	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163	176.1	-43.8	89.7	0	0	0	111.3	F46 T47 V48 V62 Y73 L270 L274	F46-L64 HydrophobicContact CB-CB 4.22Å; F46-L64 HydrophobicContact CB-CD2 4.06Å; F46-L64 HydrophobicContact CD1-CB 4.4Å; T47-L64 WeakPolarHBondContact O-CA 3.08Å; V48-L64 HydrophobicContact CG2-CD2 3.85Å; V48-L64 HydrophobicContact CG2-CG 4.31Å; V62-L64 HydrophobicContact CB-CD1 4.43Å; V62-L64 HydrophobicContact CG1-CD1 3.93Å; V62-L64 HydrophobicContact CG1-CG 4.2Å; V62-L64 WeakPolarHBondContact O-CD1 3.45Å; L64-Y73 HydrophobicContact CD1-CD1 3.66Å; L64-Y73 HydrophobicContact CD1-CE1 4.44Å; L64-Y73 HydrophobicContact CD1-CG 4.18Å; L64-Y73 PolarHBondContact N-O 3.3Å; L64-Y73 PolarHBondContact O-N 3.37Å; L64-L270 HydrophobicContact CD1-CD2 4.18Å; L64-L270 HydrophobicContact CD2-CD2 4.45Å; L64-L274 HydrophobicContact CD2-CD1 3.68Å; L64-L274 HydrophobicContact CD2-CD2 4.49Å
65	T	98.8	Very high	96	Very high	32 Å²	32	23.7 Å²	23.7	20%	0.196	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.6	170.7	-45.6	0	0	0	0	108.9	F46 T47 R49 D67 A71	F46-T65 WeakPolarHBondContact CA-O 3.31Å; T47-T65 PolarHBondContact N-O 3.4Å; T47-T65 PolarHBondContact O-N 2.92Å; R49-T65 WeakPolarHBondContact CG-OG1 3.18Å; R49-T65 PolarHBondContact NE-OG1 3.09Å; R49-T65 VanDerWaalsContact NE-OG1 3.09Å; T65-D67 PolarHBondContact O-N 3.43Å; T65-A71 WeakPolarHBondContact CA-O 3.4Å
66	H	98.8	Very high	96.5	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.2	170.5	-178.1	-123.9	0	0	0	110.2	G45 F46 Q68 T69 G70 A71 Q278 L282	G45-H66 PolarHBondContact O-CD2 2.89Å; F46-H66 HydrophobicContact CD1-CB 3.81Å; F46-H66 HydrophobicContact CE1-CB 3.61Å; F46-H66 HydrophobicContact CZ-CB 4.16Å; H66-Q68 PolarHBondContact O-N 2.89Å; H66-T69 WeakPolarHBondContact ND1-CG2 3.33Å; H66-T69 PolarHBondContact ND1-N 3.02Å; H66-T69 PolarHBondContact ND1-OG1 2.87Å; H66-G70 VanDerWaalsContact O-CA 3.27Å; H66-G70 WeakPolarHBondContact O-CA 3.4Å; H66-G70 PolarHBondContact O-N 3.18Å; H66-A71 HydrophobicContact CB-CB 4.03Å; H66-A71 PolarHBondContact N-O 3.27Å; H66-Q278 PolarHBondContact CD2-OE1 3.33Å; H66-Q278 PolarHBondContact NE2-OE1 3.11Å; H66-L282 HydrophobicContact CB-CD1 3.96Å
67	D	98.4	Very high	97.2	Very high	68 Å²	68	17.5 Å²	17.5	36%	0.364	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43.3	-170.3	-74.4	-3.1	0	0	0	112.1	K42 G45 T47 T65	K42-D67 IonicContact NZ-OD2 3.44Å; K42-D67 PolarHBondContact NZ-OD2 3.39Å; G45-D67 VanDerWaalsContact O-CB 3.3Å; G45-D67 WeakPolarHBondContact O-CB 3.28Å; G45-D67 PolarHBondContact O-N 3.13Å; T47-D67 WeakPolarHBondContact CB-OD1 3.36Å; T47-D67 PolarHBondContact OG1-OD1 2.87Å; T65-D67 PolarHBondContact O-N 3.43Å
68	Q	98.3	Very high	97.5	Very high	79 Å²	79	18 Å²	18	37%	0.369	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-38.6	-172.6	-176.7	177.5	2.7	0	0	113.4	H66 F285 D286 R287	H66-Q68 PolarHBondContact O-N 2.89Å; Q68-F285 PolarHBondContact NE2-O 3.16Å; Q68-D286 PolarHBondContact NE2-OD1 3.15Å; Q68-R287 VanDerWaalsContact O-CB 3.29Å; Q68-R287 WeakPolarHBondContact O-CB 3.34Å; Q68-R287 PolarHBondContact O-N 2.88Å
69	T	98.4	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-18.5	-174.8	67.5	0	0	0	0	113.4	H66 A71 P257 S258 F285 R287	H66-T69 WeakPolarHBondContact ND1-CG2 3.33Å; H66-T69 PolarHBondContact ND1-N 3.02Å; H66-T69 PolarHBondContact ND1-OG1 2.87Å; T69-A71 VanDerWaalsContact C-N 3.26Å; T69-A71 PolarHBondContact O-N 3.01Å; T69-A71 WeakPolarHBondContact OG1-CB 3.49Å; T69-A71 PolarHBondContact OG1-N 3.19Å; T69-P257 HydrophobicContact CG2-CB 4.32Å; T69-P257 HydrophobicContact CG2-CG 3.81Å; T69-S258 WeakPolarHBondContact O-CB 3.32Å; T69-S258 PolarHBondContact O-OG 2.66Å; T69-F285 HydrophobicContact CG2-CB 3.8Å; T69-F285 WeakPolarHBondContact CG2-O 3.14Å; T69-R287 WeakPolarHBondContact O-CG 3.49Å
70	G	98.2	Very high	97.4	Very high	15 Å²	15	21.6 Å²	21.6	16%	0.155	11%	0.113	C	C	.	.			trans	75	9	-171.7	0	0	0	0	0	114.6	H66 Q72	H66-G70 VanDerWaalsContact O-CA 3.27Å; H66-G70 WeakPolarHBondContact O-CA 3.4Å; H66-G70 PolarHBondContact O-N 3.18Å; G70-Q72 PolarHBondContact O-N 2.89Å
71	A	98.4	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.			trans	-56.1	135.8	176.7	0	0	0	0	0	110.8	T65 H66 T69 P257 F262 L282	T65-A71 WeakPolarHBondContact CA-O 3.4Å; H66-A71 HydrophobicContact CB-CB 4.03Å; H66-A71 PolarHBondContact N-O 3.27Å; T69-A71 VanDerWaalsContact C-N 3.26Å; T69-A71 PolarHBondContact O-N 3.01Å; T69-A71 WeakPolarHBondContact OG1-CB 3.49Å; T69-A71 PolarHBondContact OG1-N 3.19Å; A71-P257 HydrophobicContact CB-CB 4.43Å; A71-P257 VanDerWaalsContact CB-O 3.24Å; A71-P257 WeakPolarHBondContact CB-O 3.31Å; A71-F262 HydrophobicContact CB-CD2 4.21Å; A71-F262 HydrophobicContact CB-CE2 3.9Å; A71-L282 HydrophobicContact CB-CD1 4.32Å
72	Q	98.6	Very high	97.1	Very high	58 Å²	58	24.4 Å²	24.4	27%	0.271	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.8	-179.3	-50.4	-176.1	11.4	0	0	110.5	G70 R261 F262 W452	G70-Q72 PolarHBondContact O-N 2.89Å; Q72-R261 VanDerWaalsContact CD-NE 3.32Å; Q72-F262 PolarHBondContact O-N 3.2Å; Q72-W452 HydrophobicContact CB-CZ2 4.03Å
73	Y	98.9	Very high	97	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.5	-179	-159.5	-70.5	0	0	0	110.9	F46 K63 L64 H75 F262 T264 L270 L274 I277	F46-Y73 AromaticContact CE1-CD2 3.96Å; F46-Y73 HydrophobicContact CE1-CD2 3.96Å; F46-Y73 HydrophobicContact CZ-CD2 4.41Å; K63-Y73 WeakPolarHBondContact CA-O 3.41Å; L64-Y73 HydrophobicContact CD1-CD1 3.66Å; L64-Y73 HydrophobicContact CD1-CE1 4.44Å; L64-Y73 HydrophobicContact CD1-CG 4.18Å; L64-Y73 PolarHBondContact N-O 3.3Å; L64-Y73 PolarHBondContact O-N 3.37Å; Y73-H75 HydrophobicContact CD1-CB 4.44Å; Y73-H75 HydrophobicContact CE1-CB 4Å; Y73-F262 CarbonylContact C-O 3.04Å; Y73-F262 VanDerWaalsContact CA-O 3.29Å; Y73-F262 WeakPolarHBondContact CA-O 3.41Å; Y73-F262 HydrophobicContact CD2-CB 3.39Å; Y73-F262 HydrophobicContact CD2-CG 4.19Å; Y73-F262 HydrophobicContact CE2-CB 3.69Å; Y73-F262 HydrophobicContact CE2-CG 4.47Å; Y73-F262 HydrophobicContact CG-CB 4.05Å; Y73-T264 WeakPolarHBondContact CE1-OG1 3.47Å; Y73-T264 WeakPolarHBondContact OH-CG2 3.4Å; Y73-T264 PolarHBondContact OH-OG1 3.49Å; Y73-L270 HydrophobicContact CE1-CD1 3.76Å; Y73-L274 HydrophobicContact CD1-CD2 4.38Å; Y73-L274 HydrophobicContact CD2-CD2 3.77Å; Y73-L274 HydrophobicContact CE1-CD2 4.23Å; Y73-L274 HydrophobicContact CE2-CD2 3.57Å; Y73-L274 HydrophobicContact CG-CD2 4.19Å; Y73-I277 HydrophobicContact CE2-CD1 3.64Å
74	L	98.8	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.4	168.9	178.5	66.8	0	0	0	109.8	A61 K63 F262 F263 T264 I448 W452 P458 V459	A61-L74 HydrophobicContact CB-CD1 4.13Å; K63-L74 HydrophobicContact CG-CD1 3.72Å; L74-F262 PolarHBondContact N-O 3.28Å; L74-F263 HydrophobicContact CB-CD2 4.15Å; L74-F263 HydrophobicContact CD2-CD2 4Å; L74-F263 HydrophobicContact CD2-CE2 3.98Å; L74-F263 HydrophobicContact CG-CD2 4.11Å; L74-F263 HydrophobicContact CG-CE2 4.24Å; L74-F263 VanDerWaalsContact O-CA 3.32Å; L74-F263 WeakPolarHBondContact O-CA 3.34Å; L74-F263 WeakPolarHBondContact O-CD2 3.5Å; L74-T264 PolarHBondContact O-N 3.19Å; L74-I448 HydrophobicContact CD2-CD1 3.59Å; L74-W452 HydrophobicContact CB-CH2 3.41Å; L74-W452 VanDerWaalsContact CB-CH2 3.41Å; L74-W452 HydrophobicContact CB-CZ2 4Å; L74-W452 HydrophobicContact CB-CZ3 4Å; L74-P458 HydrophobicContact CD2-CB 3.9Å; L74-P458 HydrophobicContact CD2-CG 3.92Å; L74-V459 HydrophobicContact CD1-CG2 3.82Å
75	H	98.8	Very high	97.1	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.032	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.3	169.6	-177.6	63.4	0	0	0	109.9	A61 V62 Y73 T264 L270	A61-H75 CarbonylContact C-O 3.57Å; A61-H75 WeakPolarHBondContact CA-O 3.44Å; V62-H75 HydrophobicContact CB-CB 4.27Å; V62-H75 PolarHBondContact N-O 2.91Å; V62-H75 PolarHBondContact O-N 2.92Å; Y73-H75 HydrophobicContact CD1-CB 4.44Å; Y73-H75 HydrophobicContact CE1-CB 4Å; H75-T264 CarbonylContact C-O 3.59Å; H75-T264 WeakPolarHBondContact CA-O 3.42Å; H75-T264 PolarHBondContact ND1-OG1 3.45Å; H75-L270 HydrophobicContact CB-CD1 3.74Å; H75-L270 HydrophobicContact CB-CD2 3.98Å; H75-L270 HydrophobicContact CB-CG 4.41Å
76	A	98.1	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	89.7	173.6	0	0	0	0	0	109.8	R78 F263 T264 Y265 G266	A76-R78 PolarHBondContact O-N 2.84Å; A76-F263 HydrophobicContact CB-CE2 4.12Å; A76-F263 HydrophobicContact CB-CZ 4.1Å; A76-T264 PolarHBondContact N-O 2.86Å; A76-Y265 HydrophobicContact CB-CD2 3.96Å; A76-Y265 WeakPolarHBondContact O-CA 3.35Å; A76-G266 PolarHBondContact O-N 2.95Å
77	A	97.9	Very high	97.1	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	120.4	-178.9	0	0	0	0	0	110.8	A34 L59 T60	A34-A77 HydrophobicContact CB-CB 3.41Å; A34-A77 VanDerWaalsContact CB-CB 3.41Å; L59-A77 CarbonylContact C-O 3.44Å; L59-A77 VanDerWaalsContact CA-O 3.23Å; L59-A77 WeakPolarHBondContact CA-O 3.48Å; L59-A77 WeakPolarHBondContact CB-O 3.48Å; T60-A77 PolarHBondContact N-O 3.2Å; T60-A77 PolarHBondContact O-N 3.43Å
78	R	93.3	Very high	97.1	Very high	16 Å²	16	17.8 Å²	17.8	6%	0.06	10%	0.097	C	C	.	.			trans	-151.2	145.4	-178.5	175.9	162.1	151.8	172	-14.1	110.2	L57 C58 L59 A76 D80 Y265 G266 D267 F440	L57-R78 PolarHBondContact O-NH1 2.9Å; C58-R78 WeakPolarHBondContact O-CG 3.48Å; L59-R78 HydrophobicContact CB-CB 3.98Å; A76-R78 PolarHBondContact O-N 2.84Å; R78-D80 HydrophobicContact CG-CB 4.23Å; R78-D80 PolarHBondContact O-N 3.31Å; R78-Y265 HydrophobicContact CB-CE2 3.93Å; R78-Y265 VanDerWaalsContact CD-OH 3.28Å; R78-Y265 WeakPolarHBondContact CD-OH 3.3Å; R78-Y265 HydrophobicContact CG-CE2 4.36Å; R78-Y265 PolarHBondContact NE-OH 3.04Å; R78-Y265 VanDerWaalsContact NE-OH 3.09Å; R78-G266 PolarHBondContact N-O 2.88Å; R78-G266 VanDerWaalsContact N-O 3.08Å; R78-G266 CarbonylContact O-C 3.59Å; R78-D267 WeakPolarHBondContact O-CA 3.3Å; R78-D267 PolarHBondContact O-N 3.2Å; R78-F440 VanDerWaalsContact NH1-CZ 3.25Å
79	D	90.4	Very high	97.1	Very high	97 Å²	97	14 Å²	14	52%	0.519	8%	0.08	S	C	.	.	S	Bend	trans	-71.9	71.1	175.6	-59.1	-56	0	0	0	111	S29 A30	S29-D79 WeakPolarHBondContact CA-OD1 3.38Å; S29-D79 VanDerWaalsContact CB-OD1 3.29Å; S29-D79 WeakPolarHBondContact CB-OD1 3.33Å; S29-D79 WeakPolarHBondContact CB-OD2 3.11Å; S29-D79 PolarHBondContact OG-OD1 2.83Å; S29-D79 PolarHBondContact OG-OD2 2.78Å; A30-D79 PolarHBondContact N-OD1 2.92Å
80	D	90.2	Very high	97.1	Very high	28 Å²	28	14.8 Å²	14.8	15%	0.15	8%	0.083	C	C	.	.			trans	-139.2	118.3	179.7	-172.1	-15.5	0	0	0	109.1	R78 N82 Y265 G266 D267	R78-D80 HydrophobicContact CG-CB 4.23Å; R78-D80 PolarHBondContact O-N 3.31Å; D80-N82 PolarHBondContact O-N 2.76Å; D80-N82 PolarHBondContact OD1-N 2.84Å; D80-Y265 HydrophobicContact CB-CE1 3.98Å; D80-Y265 WeakPolarHBondContact CB-OH 3.47Å; D80-Y265 WeakPolarHBondContact OD2-CE1 3.37Å; D80-Y265 PolarHBondContact OD2-OH 3.41Å; D80-G266 WeakPolarHBondContact O-CA 3.26Å; D80-D267 PolarHBondContact O-N 2.87Å
81	S	92.2	Very high	97.2	Very high	54 Å²	54	14.1 Å²	14.1	38%	0.378	8%	0.076	S	C	.	.	S	Bend	trans	-69.5	-19.7	-178.3	58	0	0	0	0	112.6	N83 Q148 D267	S81-N83 VanDerWaalsContact C-N 3.33Å; S81-N83 PolarHBondContact O-N 3.25Å; S81-N83 PolarHBondContact O-ND2 2.95Å; S81-Q148 VanDerWaalsContact O-CA 3.29Å; S81-Q148 WeakPolarHBondContact O-CA 3.35Å; S81-Q148 PolarHBondContact OG-OE1 2.76Å; S81-D267 WeakPolarHBondContact CA-OD2 3.49Å
82	N	95.8	Very high	97.2	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.027	8%	0.078	C	C	.	.	S	Bend	trans	-81	81.8	176.6	-168.1	28.1	0	0	0	111	D80 T130 Q148 T438 P954	D80-N82 PolarHBondContact O-N 2.76Å; D80-N82 PolarHBondContact OD1-N 2.84Å; N82-T130 WeakPolarHBondContact OD1-CB 3.19Å; N82-T130 WeakPolarHBondContact OD1-CG2 3.47Å; N82-T130 PolarHBondContact OD1-OG1 3.22Å; N82-Q148 HydrophobicContact CB-CG 4.32Å; N82-T438 PolarHBondContact ND2-O 3.35Å; N82-P954 HydrophobicContact CB-CG 3.93Å
83	N	98.3	Very high	97.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.5	-175.8	-72.3	-99.7	0	0	0	110.7	S81 S146 T147 F153 Y265 G266 D267 L268	S81-N83 VanDerWaalsContact C-N 3.33Å; S81-N83 PolarHBondContact O-N 3.25Å; S81-N83 PolarHBondContact O-ND2 2.95Å; N83-S146 CarbonylContact O-C 3.52Å; N83-S146 WeakPolarHBondContact O-CA 3.17Å; N83-S146 WeakPolarHBondContact O-CB 3.14Å; N83-T147 PolarHBondContact N-O 2.92Å; N83-T147 PolarHBondContact O-N 3.43Å; N83-F153 HydrophobicContact CB-CD2 3.78Å; N83-F153 HydrophobicContact CB-CE2 3.77Å; N83-Y265 CarbonylContact C-O 3.55Å; N83-Y265 WeakPolarHBondContact CA-O 3.42Å; N83-Y265 PolarHBondContact OD1-O 2.73Å; N83-G266 VanDerWaalsContact OD1-CA 3.31Å; N83-G266 WeakPolarHBondContact OD1-CA 3.27Å; N83-D267 PolarHBondContact ND2-OD1 3.02Å; N83-D267 PolarHBondContact OD1-N 3.23Å; N83-L268 HydrophobicContact CB-CD1 3.77Å; N83-L268 HydrophobicContact CB-CG 4.21Å; N83-L268 VanDerWaalsContact CG-CG 3.43Å; N83-L268 VanDerWaalsContact OD1-CB 3.31Å; N83-L268 WeakPolarHBondContact OD1-CB 3.39Å; N83-L268 WeakPolarHBondContact OD1-CG 3.23Å; N83-L268 PolarHBondContact OD1-N 3.25Å
84	L	98.7	Very high	97.1	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.4	179.3	-179.8	136.5	0	0	0	111.3	P144 F145 F263 T264 Y265 L442 A445	L84-P144 HydrophobicContact CD1-CB 4.42Å; L84-F145 WeakPolarHBondContact CA-O 3.45Å; L84-F145 WeakPolarHBondContact CG-O 3.47Å; L84-F263 HydrophobicContact CD2-CD1 3.67Å; L84-F263 HydrophobicContact CD2-CE1 3.8Å; L84-T264 CarbonylContact O-C 3.37Å; L84-T264 VanDerWaalsContact O-CA 3.23Å; L84-T264 WeakPolarHBondContact O-CA 3.34Å; L84-Y265 PolarHBondContact N-O 3.42Å; L84-Y265 PolarHBondContact O-N 3.36Å; L84-L442 VanDerWaalsContact CD1-CA 3.47Å; L84-L442 HydrophobicContact CD1-CB 3.57Å; L84-L442 HydrophobicContact CD1-CD1 3.91Å; L84-L442 HydrophobicContact CD1-CG 4.35Å; L84-A445 HydrophobicContact CD2-CB 4.12Å
85	F	98.9	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.8	163.4	168.2	-96	0	0	0	109.1	V87 P144 F145 F153 L157 L161 F262 F263 T264 I277	F85-V87 HydrophobicContact CE1-CB 4.17Å; F85-V87 HydrophobicContact CE1-CG1 4.02Å; F85-V87 HydrophobicContact CZ-CB 3.88Å; F85-V87 HydrophobicContact CZ-CG1 4.13Å; F85-P144 VanDerWaalsContact O-CA 3.23Å; F85-P144 WeakPolarHBondContact O-CA 3.41Å; F85-F145 HydrophobicContact CB-CD1 4.25Å; F85-F145 HydrophobicContact CB-CE1 3.66Å; F85-F145 HydrophobicContact CB-CE2 4.09Å; F85-F145 HydrophobicContact CB-CZ 3.55Å; F85-F145 AromaticContact CD1-CD1 3.86Å; F85-F145 HydrophobicContact CD1-CD1 3.86Å; F85-F145 AromaticContact CD1-CE1 3.34Å; F85-F145 HydrophobicContact CD1-CE1 3.34Å; F85-F145 HydrophobicContact CD1-CZ 4.08Å; F85-F145 HydrophobicContact CE1-CE1 4.25Å; F85-F145 AromaticContact CG-CE1 3.8Å; F85-F145 HydrophobicContact CG-CE1 3.8Å; F85-F145 HydrophobicContact CG-CZ 4.07Å; F85-F145 PolarHBondContact N-O 3.41Å; F85-F145 PolarHBondContact O-N 3.27Å; F85-F153 HydrophobicContact CB-CE1 4.33Å; F85-F153 HydrophobicContact CB-CE2 4.18Å; F85-F153 HydrophobicContact CB-CZ 3.66Å; F85-L157 HydrophobicContact CD1-CD1 3.99Å; F85-L157 HydrophobicContact CD2-CD1 3.56Å; F85-L157 HydrophobicContact CE1-CD1 3.88Å; F85-L157 HydrophobicContact CE2-CD1 3.45Å; F85-L157 VanDerWaalsContact CE2-CD1 3.45Å; F85-L157 HydrophobicContact CG-CD1 3.82Å; F85-L157 HydrophobicContact CZ-CD1 3.6Å; F85-L161 HydrophobicContact CZ-CD2 4.18Å; F85-F262 AromaticContact CE2-CD1 3.89Å; F85-F262 HydrophobicContact CE2-CD1 3.89Å; F85-F262 AromaticContact CZ-CD1 3.98Å; F85-F262 HydrophobicContact CZ-CD1 3.98Å; F85-F262 HydrophobicContact CZ-CE1 4.31Å; F85-F263 CarbonylContact C-O 3.59Å; F85-F263 WeakPolarHBondContact CA-O 3.34Å; F85-T264 HydrophobicContact CB-CG2 4.32Å; F85-T264 HydrophobicContact CD2-CG2 3.84Å; F85-I277 HydrophobicContact CE2-CD1 3.88Å
86	S	98.8	Very high	97.1	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.9	159.6	69.3	0	0	0	0	112.1	Y143 F263	S86-Y143 WeakPolarHBondContact CA-O 3.19Å; S86-F263 PolarHBondContact N-O 3.21Å; S86-F263 PolarHBondContact O-N 3.2Å; S86-F263 WeakPolarHBondContact OG-CB 3.5Å
87	V	98.9	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.7	164.8	59.6	0	0	0	0	109.2	F85 F89 M142 Y143 V164 A260 R261 F262	F85-V87 HydrophobicContact CE1-CB 4.17Å; F85-V87 HydrophobicContact CE1-CG1 4.02Å; F85-V87 HydrophobicContact CZ-CB 3.88Å; F85-V87 HydrophobicContact CZ-CG1 4.13Å; V87-F89 HydrophobicContact CG1-CE2 4.03Å; V87-F89 HydrophobicContact CG2-CE1 4.41Å; V87-F89 HydrophobicContact CG2-CE2 3.78Å; V87-F89 HydrophobicContact CG2-CZ 3.73Å; V87-M142 WeakPolarHBondContact O-CA 3.39Å; V87-Y143 HydrophobicContact CG1-CD2 4.35Å; V87-Y143 PolarHBondContact N-O 2.95Å; V87-Y143 PolarHBondContact O-N 2.86Å; V87-V164 HydrophobicContact CG1-CG1 4.3Å; V87-V164 HydrophobicContact CG1-CG2 4.1Å; V87-A260 HydrophobicContact CG2-CB 4.15Å; V87-R261 WeakPolarHBondContact CA-O 3.39Å; V87-F262 HydrophobicContact CB-CD1 4.05Å; V87-F262 HydrophobicContact CB-CE1 4.11Å; V87-F262 HydrophobicContact CG2-CD1 3.9Å; V87-F262 HydrophobicContact CG2-CE1 3.69Å; V87-F262 HydrophobicContact CG2-CG 4.5Å; V87-F262 HydrophobicContact CG2-CZ 4.11Å
88	Q	98.8	Very high	97.1	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.6	179.1	174.9	-177.7	-30.8	0	0	110	Y140 T141 M142 A260 R261 A449 N453	Q88-Y140 HydrophobicContact CG-CD2 4.08Å; Q88-Y140 HydrophobicContact CG-CG 4.33Å; Q88-T141 WeakPolarHBondContact CA-O 3.41Å; Q88-M142 HydrophobicContact CB-CE 4.49Å; Q88-A260 CarbonylContact O-C 3.59Å; Q88-A260 VanDerWaalsContact O-CA 3.25Å; Q88-A260 WeakPolarHBondContact O-CA 3.35Å; Q88-R261 HydrophobicContact CB-CB 4.36Å; Q88-R261 PolarHBondContact N-O 3.1Å; Q88-R261 PolarHBondContact O-N 3.38Å; Q88-A449 PolarHBondContact NE2-O 3.35Å; Q88-N453 PolarHBondContact NE2-OD1 3.49Å
89	F	98.9	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135	172.9	-59.1	-86	0	0	0	109.5	V87 T91 Y140 T141 Y143 V164 F165 Y255 A260	V87-F89 HydrophobicContact CG1-CE2 4.03Å; V87-F89 HydrophobicContact CG2-CE1 4.41Å; V87-F89 HydrophobicContact CG2-CE2 3.78Å; V87-F89 HydrophobicContact CG2-CZ 3.73Å; F89-T91 HydrophobicContact CB-CG2 4.18Å; F89-T91 PolarHBondContact O-N 3.05Å; F89-Y140 CarbonylContact O-C 3.55Å; F89-Y140 WeakPolarHBondContact O-CA 3.39Å; F89-Y140 WeakPolarHBondContact O-CB 3.41Å; F89-T141 PolarHBondContact N-O 3.41Å; F89-T141 PolarHBondContact O-N 3.16Å; F89-Y143 HydrophobicContact CD2-CD2 4.24Å; F89-Y143 HydrophobicContact CD2-CE2 4Å; F89-Y143 HydrophobicContact CE2-CD2 4.15Å; F89-Y143 HydrophobicContact CE2-CE2 4.12Å; F89-V164 HydrophobicContact CE2-CB 3.77Å; F89-V164 HydrophobicContact CE2-CG1 4.16Å; F89-V164 HydrophobicContact CE2-CG2 3.94Å; F89-V164 HydrophobicContact CZ-CB 3.93Å; F89-V164 HydrophobicContact CZ-CG2 3.73Å; F89-F165 AromaticContact CE1-CE1 3.73Å; F89-F165 HydrophobicContact CE1-CE1 3.73Å; F89-F165 AromaticContact CE1-CZ 3.98Å; F89-F165 HydrophobicContact CE1-CZ 3.98Å; F89-F165 AromaticContact CZ-CE1 3.85Å; F89-F165 HydrophobicContact CZ-CE1 3.85Å; F89-F165 HydrophobicContact CZ-CE2 4.44Å; F89-F165 AromaticContact CZ-CZ 3.78Å; F89-F165 HydrophobicContact CZ-CZ 3.78Å; F89-Y255 HydrophobicContact CD1-CD1 4.43Å; F89-Y255 HydrophobicContact CD1-CG 4.35Å; F89-Y255 AromaticContact CD2-CD1 3.92Å; F89-Y255 HydrophobicContact CD2-CD1 3.92Å; F89-Y255 AromaticContact CD2-CE1 3.87Å; F89-Y255 HydrophobicContact CD2-CE1 3.87Å; F89-Y255 HydrophobicContact CE1-CD1 4.31Å; F89-Y255 HydrophobicContact CE1-CG 4.44Å; F89-Y255 AromaticContact CE2-CD1 3.81Å; F89-Y255 HydrophobicContact CE2-CD1 3.81Å; F89-Y255 AromaticContact CE2-CE1 3.99Å; F89-Y255 HydrophobicContact CE2-CE1 3.99Å; F89-Y255 HydrophobicContact CG-CD1 4.23Å; F89-Y255 HydrophobicContact CG-CE1 4.42Å; F89-Y255 HydrophobicContact CG-CG 4.36Å; F89-Y255 HydrophobicContact CZ-CD1 4.01Å; F89-A260 HydrophobicContact CD1-CB 3.96Å; F89-A260 HydrophobicContact CE1-CB 3.71Å; F89-A260 HydrophobicContact CZ-CB 4.44Å
90	R	98.8	Very high	97.8	Very high	17 Å²	17	18.3 Å²	18.3	6%	0.064	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.5	169.1	-175.2	161.4	63.5	-159.2	6.1	109.2	T92 D139 H254 N259 T292 N453 D455	R90-T92 HydrophobicContact CG-CG2 4.16Å; R90-D139 CarbonylContact C-O 3.55Å; R90-H254 PolarHBondContact O-CD2 3.17Å; R90-H254 VanDerWaalsContact O-CD2 3.29Å; R90-N259 PolarHBondContact N-ND2 2.84Å; R90-N259 PolarHBondContact O-ND2 3.18Å; R90-T292 VanDerWaalsContact CD-O 3.31Å; R90-T292 WeakPolarHBondContact CD-O 3.33Å; R90-T292 PolarHBondContact NE-O 3.33Å; R90-T292 PolarHBondContact NE-OG1 3.05Å; R90-T292 VanDerWaalsContact NE-OG1 3.1Å; R90-T292 PolarHBondContact NH2-OG1 3.43Å; R90-N453 WeakPolarHBondContact CA-OD1 3.4Å; R90-N453 VanDerWaalsContact CB-OD1 3.24Å; R90-N453 WeakPolarHBondContact CB-OD1 3.32Å; R90-N453 WeakPolarHBondContact CD-O 3.48Å; R90-N453 PolarHBondContact NH1-O 3.26Å; R90-D455 IonicContact NH1-OD2 3.76Å; R90-D455 PolarHBondContact NH1-OD2 3.34Å
91	T	98.8	Very high	98.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.088	C	C	.	.			trans	-123.3	102.6	-171.7	44.3	0	0	0	0	109.7	F89 P93 D139 Y140 T141 F250 H254 Y255	F89-T91 HydrophobicContact CB-CG2 4.18Å; F89-T91 PolarHBondContact O-N 3.05Å; T91-P93 WeakPolarHBondContact O-CD 3.3Å; T91-D139 PolarHBondContact N-O 3.02Å; T91-D139 CarbonylContact O-C 3.56Å; T91-D139 VanDerWaalsContact O-C 3.24Å; T91-D139 WeakPolarHBondContact O-CA 3.26Å; T91-Y140 WeakPolarHBondContact OG1-CA 3.3Å; T91-Y140 PolarHBondContact OG1-N 3.49Å; T91-T141 PolarHBondContact OG1-N 2.81Å; T91-T141 PolarHBondContact OG1-OG1 3.13Å; T91-F250 HydrophobicContact CG2-CE1 3.93Å; T91-F250 HydrophobicContact CG2-CZ 4.41Å; T91-H254 HydrophobicContact CG2-CB 3.95Å; T91-Y255 HydrophobicContact CG2-CE2 3.9Å
92	T	98.5	Very high	98.5	Very high	7 Å²	7	15 Å²	15	4%	0.043	7%	0.07	C	C	.	.			trans	-109	84.3	-169.2	55.4	0	0	0	0	112.1	R90 T227 H254 T292 V294	R90-T92 HydrophobicContact CG-CG2 4.16Å; T92-T227 WeakPolarHBondContact CA-OG1 3.41Å; T92-T227 HydrophobicContact CG2-CG2 4.36Å; T92-H254 PolarHBondContact N-NE2 3.34Å; T92-H254 PolarHBondContact OG1-NE2 3.1Å; T92-T292 WeakPolarHBondContact CG2-O 3.2Å; T92-V294 HydrophobicContact CG2-CG2 3.56Å
93	P	98.4	Very high	98.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.069	C	C	.	.			trans	-58.4	153	175.9	25.9	-36.3	0	0	0	113	T91 V99 P100 T227 V230	T91-P93 WeakPolarHBondContact O-CD 3.3Å; P93-V99 HydrophobicContact CB-CG1 4.49Å; P93-P100 HydrophobicContact CB-CG 4.29Å; P93-P100 HydrophobicContact CG-CG 4.05Å; P93-T227 WeakPolarHBondContact CD-OG1 3.4Å; P93-T227 WeakPolarHBondContact O-CA 3.4Å; P93-T227 WeakPolarHBondContact O-CB 3.16Å; P93-T227 PolarHBondContact O-OG1 3.39Å; P93-T227 VanDerWaalsContact O-OG1 3.05Å; P93-V230 HydrophobicContact CB-CG2 4.12Å; P93-V230 HydrophobicContact CG-CG2 3.99Å
94	R	97.7	Very high	98.7	Very high	155 Å²	155	15.3 Å²	15.3	59%	0.585	7%	0.072	S	C	*	.	S	Bend	trans	-117.2	-1.9	179	-60.5	-59.9	-174.1	164.6	-3	113.5	H226	R94-H226 PolarHBondContact NH1-CD2 2.98Å; R94-H226 PolarHBondContact NH1-CE1 3.42Å; R94-H226 PolarHBondContact NH1-NE2 3.35Å; R94-H226 PolarHBondContact NH2-CE1 2.99Å; R94-H226 VanDerWaalsContact NH2-CE1 3.25Å; R94-H226 PolarHBondContact NH2-NE2 2.93Å
95	D	98.5	Very high	98.7	Very high	63 Å²	63	16 Å²	16	34%	0.337	8%	0.075	S	C	.	.	S	Bend	trans	-146	170.7	179	54.5	48.1	0	0	0	108.7	T97 V230	D95-T97 VanDerWaalsContact C-N 3.27Å; D95-T97 HydrophobicContact CB-CG2 4.3Å; D95-T97 PolarHBondContact O-N 3.05Å; D95-T97 VanDerWaalsContact OD1-CB 3.25Å; D95-T97 WeakPolarHBondContact OD1-CB 3.43Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.3Å; D95-T97 PolarHBondContact OD1-N 3.3Å; D95-T97 PolarHBondContact OD1-OG1 3.24Å; D95-V230 WeakPolarHBondContact O-CG2 3.25Å
96	S	98.8	Very high	98.7	Very high	29 Å²	29	16 Å²	16	20%	0.203	8%	0.075	C	C	.	.	S	Bend	trans	-92.7	25.4	-179.8	-60.3	0	0	0	0	112.5	G98 V231 G234 E235 A238	S96-G98 PolarHBondContact O-N 2.95Å; S96-V231 PolarHBondContact OG-N 2.95Å; S96-G234 WeakPolarHBondContact O-CA 3.42Å; S96-E235 PolarHBondContact O-N 3.06Å; S96-A238 WeakPolarHBondContact O-CB 3.47Å
97	T	98.8	Very high	98.7	Very high	7 Å²	7	15.9 Å²	15.9	4%	0.043	7%	0.074	C	C	.	.	S	Bend	trans	-69.6	-15.6	-179.9	60.9	0	0	0	0	113.3	D95 V99 I239 L242	D95-T97 VanDerWaalsContact C-N 3.27Å; D95-T97 HydrophobicContact CB-CG2 4.3Å; D95-T97 PolarHBondContact O-N 3.05Å; D95-T97 VanDerWaalsContact OD1-CB 3.25Å; D95-T97 WeakPolarHBondContact OD1-CB 3.43Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.3Å; D95-T97 PolarHBondContact OD1-N 3.3Å; D95-T97 PolarHBondContact OD1-OG1 3.24Å; T97-V99 VanDerWaalsContact C-N 3.31Å; T97-V99 PolarHBondContact OG1-N 2.91Å; T97-I239 WeakPolarHBondContact O-CG1 3.49Å; T97-L242 HydrophobicContact CG2-CB 4.36Å
98	G	98.6	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.			trans	76.4	17.9	-174.7	0	0	0	0	0	113.7	S96 H101 I102 S232	S96-G98 PolarHBondContact O-N 2.95Å; G98-H101 WeakPolarHBondContact O-CB 3.25Å; G98-H101 PolarHBondContact O-N 3.38Å; G98-I102 PolarHBondContact O-N 3.26Å; G98-S232 WeakPolarHBondContact CA-O 3.37Å
99	V	98.9	Very high	98.6	Very high	8 Å²	8	16.5 Å²	16.5	5%	0.048	8%	0.077	C	C	.	.	H	α-helix	trans	-49.9	-40.4	-178	67.5	0	0	0	0	115.5	P93 T97 L103 L242 L247 F250	P93-V99 HydrophobicContact CB-CG1 4.49Å; T97-V99 VanDerWaalsContact C-N 3.31Å; T97-V99 PolarHBondContact OG1-N 2.91Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 PolarHBondContact O-N 2.92Å; V99-L242 HydrophobicContact CB-CD1 3.78Å; V99-L242 HydrophobicContact CB-CD2 4.08Å; V99-L242 HydrophobicContact CG2-CD1 3.76Å; V99-L242 HydrophobicContact CG2-CD2 4.23Å; V99-L247 HydrophobicContact CG2-CD1 4.18Å; V99-F250 HydrophobicContact CB-CD2 4.49Å; V99-F250 HydrophobicContact CB-CG 4.48Å; V99-F250 HydrophobicContact CG1-CD1 4.43Å; V99-F250 HydrophobicContact CG1-CD2 3.5Å; V99-F250 HydrophobicContact CG1-CE2 3.67Å; V99-F250 HydrophobicContact CG1-CG 3.92Å; V99-F250 HydrophobicContact CG1-CZ 4.22Å; V99-F250 HydrophobicContact CG2-CB 3.61Å; V99-F250 HydrophobicContact CG2-CD1 4.24Å; V99-F250 HydrophobicContact CG2-CD2 4.14Å; V99-F250 HydrophobicContact CG2-CG 3.74Å
100	P	98.8	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.8	-35.9	176.2	28.6	-35.9	0	0	0	112.4	P93 E104 T136 S232 F250	P93-P100 HydrophobicContact CB-CG 4.29Å; P93-P100 HydrophobicContact CG-CG 4.05Å; P100-E104 WeakPolarHBondContact O-CB 3.37Å; P100-E104 PolarHBondContact O-N 2.81Å; P100-T136 HydrophobicContact CB-CG2 3.84Å; P100-T136 HydrophobicContact CG-CG2 3.96Å; P100-S232 WeakPolarHBondContact CG-O 3.41Å; P100-F250 HydrophobicContact CB-CE1 3.78Å; P100-F250 HydrophobicContact CB-CZ 3.91Å; P100-F250 HydrophobicContact CG-CZ 4.42Å
101	H	98.8	Very high	98.5	Very high	13 Å²	13	15.8 Å²	15.8	6%	0.06	8%	0.075	C	C	.	.	H	α-helix	trans	-72.6	-44.4	-179.6	-176.4	-156.8	0	0	0	111.8	G98 L103 E104 H105 T136 V199 E202 G233	G98-H101 WeakPolarHBondContact O-CB 3.25Å; G98-H101 PolarHBondContact O-N 3.38Å; H101-L103 VanDerWaalsContact C-N 3.29Å; H101-L103 PolarHBondContact O-N 3.42Å; H101-E104 IonicContact CD2-OE2 3.92Å; H101-E104 WeakPolarHBondContact O-CB 3.35Å; H101-E104 PolarHBondContact O-N 3.34Å; H101-E104 VanDerWaalsContact O-N 3.17Å; H101-H105 AromaticContact CD2-CD2 3.91Å; H101-H105 AromaticContact NE2-CD2 3.94Å; H101-H105 AromaticContact NE2-NE2 3.55Å; H101-H105 PolarHBondContact O-N 3.16Å; H101-T136 HydrophobicContact CB-CG2 4.17Å; H101-V199 WeakPolarHBondContact ND1-CG1 3.31Å; H101-E202 IonicContact CE1-OE1 3.17Å; H101-E202 IonicContact CE1-OE2 3.14Å; H101-E202 PolarHBondContact CE1-OE2 2.83Å; H101-E202 IonicContact NE2-OE1 2.83Å; H101-E202 IonicContact NE2-OE2 2.82Å; H101-E202 PolarHBondContact NE2-OE2 3.5Å; H101-G233 PolarHBondContact ND1-O 3.04Å
102	I	98.8	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-37.9	174.5	-64.4	173.6	0	0	0	110.5	G98 E104 H105 T106 F174 V199 I239 L242 L247	G98-I102 PolarHBondContact O-N 3.26Å; I102-E104 VanDerWaalsContact C-N 3.34Å; I102-H105 PolarHBondContact O-N 2.81Å; I102-T106 WeakPolarHBondContact O-CB 3.27Å; I102-T106 PolarHBondContact O-N 2.95Å; I102-T106 PolarHBondContact O-OG1 3.02Å; I102-F174 HydrophobicContact CG2-CD2 3.8Å; I102-F174 HydrophobicContact CG2-CE2 4.02Å; I102-V199 HydrophobicContact CD1-CG1 4.4Å; I102-V199 HydrophobicContact CG1-CB 3.97Å; I102-V199 HydrophobicContact CG1-CG1 3.77Å; I102-V199 HydrophobicContact CG1-CG2 4.14Å; I102-I239 HydrophobicContact CD1-CG2 4.11Å; I102-L242 HydrophobicContact CB-CD2 4.14Å; I102-L242 HydrophobicContact CD1-CD2 3.55Å; I102-L242 HydrophobicContact CG1-CD2 4.38Å; I102-L242 HydrophobicContact CG2-CD2 4.23Å; I102-L247 HydrophobicContact CB-CD1 4.31Å; I102-L247 HydrophobicContact CG2-CD1 3.92Å
103	L	98.9	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-40.6	174.3	-178.9	60.9	0	0	0	111.4	V99 H101 H105 T106 V107 L169 L247 F250 H251 Y255	V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 PolarHBondContact O-N 2.92Å; H101-L103 VanDerWaalsContact C-N 3.29Å; H101-L103 PolarHBondContact O-N 3.42Å; L103-H105 VanDerWaalsContact C-N 3.31Å; L103-H105 PolarHBondContact O-N 2.85Å; L103-T106 PolarHBondContact O-N 3.24Å; L103-T106 VanDerWaalsContact O-N 3.09Å; L103-V107 HydrophobicContact CD1-CG1 3.61Å; L103-V107 HydrophobicContact CG-CG1 4.01Å; L103-V107 WeakPolarHBondContact O-CG1 3.4Å; L103-V107 PolarHBondContact O-N 2.8Å; L103-L169 HydrophobicContact CD1-CD1 4.4Å; L103-L169 HydrophobicContact CD1-CD2 3.63Å; L103-L247 HydrophobicContact CB-CD1 3.76Å; L103-L247 HydrophobicContact CD1-CD1 4.24Å; L103-L247 HydrophobicContact CD1-CG 4.19Å; L103-F250 HydrophobicContact CD2-CD1 3.76Å; L103-F250 HydrophobicContact CD2-CE1 4.48Å; L103-H251 HydrophobicContact CD1-CB 3.87Å; L103-H251 HydrophobicContact CD2-CB 3.71Å; L103-H251 HydrophobicContact CG-CB 4.46Å; L103-Y255 HydrophobicContact CD2-CD2 3.81Å; L103-Y255 HydrophobicContact CD2-CE2 3.3Å; L103-Y255 HydrophobicContact CG-CE2 4.16Å
104	E	98.7	Very high	98.5	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.056	12%	0.124	C	C	.	.	H	α-helix	trans	-55	-46.2	176.8	-179.7	-96.9	111	0	0	112.6	P100 H101 I102 V107 A134 T136 T141 Y143	P100-E104 WeakPolarHBondContact O-CB 3.37Å; P100-E104 PolarHBondContact O-N 2.81Å; H101-E104 IonicContact CD2-OE2 3.92Å; H101-E104 WeakPolarHBondContact O-CB 3.35Å; H101-E104 PolarHBondContact O-N 3.34Å; H101-E104 VanDerWaalsContact O-N 3.17Å; I102-E104 VanDerWaalsContact C-N 3.34Å; E104-V107 VanDerWaalsContact O-CG2 3.28Å; E104-V107 WeakPolarHBondContact O-CG2 3.44Å; E104-A134 HydrophobicContact CG-CB 3.67Å; E104-A134 VanDerWaalsContact OE1-CB 3.29Å; E104-A134 WeakPolarHBondContact OE1-CB 3.38Å; E104-T136 WeakPolarHBondContact CB-OG1 3.31Å; E104-T141 HydrophobicContact CB-CG2 3.78Å; E104-T141 HydrophobicContact CG-CG2 3.68Å; E104-Y143 WeakPolarHBondContact CA-OH 3.45Å; E104-Y143 HydrophobicContact CG-CE1 3.94Å
105	H	98.4	Very high	98.5	Very high	16 Å²	16	22.8 Å²	22.8	7%	0.074	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-46.3	171.7	-79.4	-128.7	0	0	0	112.7	H101 I102 L103 V107 L108 E177 E202	H101-H105 AromaticContact CD2-CD2 3.91Å; H101-H105 AromaticContact NE2-CD2 3.94Å; H101-H105 AromaticContact NE2-NE2 3.55Å; H101-H105 PolarHBondContact O-N 3.16Å; I102-H105 PolarHBondContact O-N 2.81Å; L103-H105 VanDerWaalsContact C-N 3.31Å; L103-H105 PolarHBondContact O-N 2.85Å; H105-V107 PolarHBondContact O-N 2.73Å; H105-L108 WeakPolarHBondContact O-CB 3.31Å; H105-L108 PolarHBondContact O-N 2.93Å; H105-L108 VanDerWaalsContact O-N 3.12Å; H105-E177 HydrophobicContact CB-CB 3.73Å; H105-E177 HydrophobicContact CB-CG 3.94Å; H105-E177 IonicContact CE1-OE2 3.96Å; H105-E177 IonicContact CG-OE2 3.26Å; H105-E177 IonicContact ND1-OE2 2.85Å; H105-E177 PolarHBondContact ND1-OE2 2.92Å; H105-E202 IonicContact CE1-OE2 2.69Å; H105-E202 IonicContact NE2-OE2 3.65Å
106	T	98.7	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-32	-169.9	-51.6	0	0	0	0	112.9	I102 L103 L108 C109 L169 D173 L247	I102-T106 WeakPolarHBondContact O-CB 3.27Å; I102-T106 PolarHBondContact O-N 2.95Å; I102-T106 PolarHBondContact O-OG1 3.02Å; L103-T106 PolarHBondContact O-N 3.24Å; L103-T106 VanDerWaalsContact O-N 3.09Å; T106-L108 PolarHBondContact O-N 3.31Å; T106-C109 WeakPolarHBondContact O-CB 3.31Å; T106-C109 PolarHBondContact O-N 3.39Å; T106-C109 VanDerWaalsContact O-N 3.16Å; T106-L169 HydrophobicContact CG2-CD2 3.9Å; T106-D173 HydrophobicContact CG2-CB 4.25Å; T106-L247 HydrophobicContact CG2-CD2 4Å
107	V	98.8	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-23.6	175.7	-62.7	0	0	0	0	112.4	L103 E104 H105 C109 Y143 A163 P167 L169 Y255	L103-V107 HydrophobicContact CD1-CG1 3.61Å; L103-V107 HydrophobicContact CG-CG1 4.01Å; L103-V107 WeakPolarHBondContact O-CG1 3.4Å; L103-V107 PolarHBondContact O-N 2.8Å; E104-V107 VanDerWaalsContact O-CG2 3.28Å; E104-V107 WeakPolarHBondContact O-CG2 3.44Å; H105-V107 PolarHBondContact O-N 2.73Å; V107-C109 VanDerWaalsContact C-N 3.31Å; V107-Y143 HydrophobicContact CG2-CE1 3.58Å; V107-Y143 VanDerWaalsContact CG2-OH 3.24Å; V107-Y143 WeakPolarHBondContact CG2-OH 3.34Å; V107-A163 WeakPolarHBondContact CB-O 3.38Å; V107-A163 WeakPolarHBondContact O-CB 3.43Å; V107-P167 HydrophobicContact CB-CB 4.02Å; V107-P167 HydrophobicContact CG1-CB 3.9Å; V107-P167 HydrophobicContact CG1-CG 3.92Å; V107-L169 HydrophobicContact CG1-CD2 4.13Å; V107-Y255 HydrophobicContact CG1-CE1 4.38Å
108	L	98.3	Very high	97.8	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.084	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.3	179.3	-61.2	179.8	0	0	0	113.5	H105 T106 P119 F120 A134 Y143 A163	H105-L108 WeakPolarHBondContact O-CB 3.31Å; H105-L108 PolarHBondContact O-N 2.93Å; H105-L108 VanDerWaalsContact O-N 3.12Å; T106-L108 PolarHBondContact O-N 3.31Å; L108-P119 WeakPolarHBondContact O-CD 3.47Å; L108-F120 HydrophobicContact CB-CB 3.73Å; L108-F120 HydrophobicContact CB-CG 4.24Å; L108-F120 HydrophobicContact CD1-CB 4.33Å; L108-F120 HydrophobicContact CD1-CD1 4.38Å; L108-F120 HydrophobicContact CD1-CD2 3.81Å; L108-F120 HydrophobicContact CD1-CE2 4.17Å; L108-F120 HydrophobicContact CD1-CG 3.93Å; L108-F120 HydrophobicContact CD2-CB 4.21Å; L108-F120 HydrophobicContact CD2-CD2 4.02Å; L108-F120 HydrophobicContact CD2-CG 4.38Å; L108-F120 HydrophobicContact CG-CB 4.3Å; L108-F120 HydrophobicContact CG-CD2 4.39Å; L108-F120 HydrophobicContact CG-CG 4.41Å; L108-A134 HydrophobicContact CD1-CB 4.18Å; L108-Y143 HydrophobicContact CD2-CD1 4.31Å; L108-Y143 HydrophobicContact CD2-CE1 4.38Å; L108-Y143 HydrophobicContact CG-CE1 4.48Å; L108-A163 HydrophobicContact CD2-CB 4.22Å
109	C	97.9	Very high	97.8	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.014	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.9	-179.3	-69.9	0	0	0	0	114.3	T106 V107 R117 D118 P119 R170 D173	T106-C109 WeakPolarHBondContact O-CB 3.31Å; T106-C109 PolarHBondContact O-N 3.39Å; T106-C109 VanDerWaalsContact O-N 3.16Å; V107-C109 VanDerWaalsContact C-N 3.31Å; C109-R117 CarbonylContact O-C 3.55Å; C109-R117 WeakPolarHBondContact O-CA 3.42Å; C109-D118 PolarHBondContact O-N 2.85Å; C109-D118 PolarHBondContact SG-OD1 2.64Å; C109-D118 VanDerWaalsContact SG-OD1 3.38Å; C109-P119 WeakPolarHBondContact O-CD 3.3Å; C109-R170 PolarHBondContact O-NH2 2.99Å; C109-D173 HydrophobicContact CB-CB 3.71Å; C109-D173 WeakPolarHBondContact CB-OD2 3.41Å
110	G	98	Very high	97.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	10%	0.099	C	C	.	.			trans	160.2	150.8	180	0	0	0	0	0	112.6	C168	G110-C168 VanDerWaalsContact C-SG 3.58Å; G110-C168 PolarHBondContact O-N 3.44Å
111	S	98.6	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-143	170.7	-177.4	50.3	0	0	0	0	112.4	K113 Y114 P115 D162 F166 C168	S111-K113 PolarHBondContact O-N 3.5Å; S111-Y114 PolarHBondContact N-O 3.31Å; S111-Y114 CarbonylContact O-C 3.52Å; S111-Y114 PolarHBondContact O-N 2.82Å; S111-P115 WeakPolarHBondContact O-CA 3.27Å; S111-D162 VanDerWaalsContact CB-O 3.31Å; S111-D162 WeakPolarHBondContact CB-O 3.33Å; S111-D162 WeakPolarHBondContact CB-OD2 3.49Å; S111-D162 PolarHBondContact OG-OD2 3.12Å; S111-F166 CarbonylContact C-O 3.55Å; S111-F166 VanDerWaalsContact CA-O 3.23Å; S111-F166 WeakPolarHBondContact CA-O 3.34Å; S111-F166 VanDerWaalsContact CB-O 3.25Å; S111-F166 WeakPolarHBondContact CB-O 3.41Å; S111-C168 VanDerWaalsContact C-SG 3.56Å; S111-C168 PolarHBondContact N-SG 2.88Å; S111-C168 PolarHBondContact O-SG 2.92Å
112	E	98.2	Very high	97.3	Very high	137 Å²	137	23.9 Å²	23.9	64%	0.64	12%	0.116	S	C	*	.	S	Bend	trans	-56.6	-45.2	-175.4	-73.1	-174.2	178.8	0	0	113	D162 F166	E112-D162 PolarHBondContact N-OD2 3.23Å; E112-F166 HydrophobicContact CB-CB 4.08Å; E112-F166 HydrophobicContact CG-CB 3.9Å; E112-F166 PolarHBondContact N-O 3.42Å
113	K	98.3	Very high	97.2	Very high	92 Å²	92	23.9 Å²	23.9	40%	0.4	12%	0.116	S	C	.	.	S	Bend	trans	-79.2	-31.2	177.9	-168.1	179.2	178.6	-171.3	0	111.7	S111 P115 D162 E280	S111-K113 PolarHBondContact O-N 3.5Å; K113-P115 VanDerWaalsContact O-CD 3.31Å; K113-P115 WeakPolarHBondContact O-CD 3.44Å; K113-D162 WeakPolarHBondContact CA-OD2 3.28Å; K113-D162 HydrophobicContact CB-CB 4.34Å; K113-D162 WeakPolarHBondContact CB-OD1 3.3Å; K113-D162 WeakPolarHBondContact CB-OD2 3.46Å; K113-D162 PolarHBondContact N-OD2 2.92Å; K113-E280 IonicContact NZ-OE1 3.49Å; K113-E280 PolarHBondContact NZ-OE1 3.24Å
114	Y	98.3	Very high	97	Very high	13 Å²	13	25.7 Å²	25.7	5%	0.051	13%	0.126	C	C	.	.			trans	-121.2	69	-179.4	-51.7	-67.9	0	0	0	111.5	S111 C116 P119 S158 V159 D162 C553 L554	S111-Y114 PolarHBondContact N-O 3.31Å; S111-Y114 CarbonylContact O-C 3.52Å; S111-Y114 PolarHBondContact O-N 2.82Å; Y114-C116 PolarHBondContact O-N 3.42Å; Y114-P119 WeakPolarHBondContact O-CG 3.37Å; Y114-S158 VanDerWaalsContact OH-CB 3.32Å; Y114-S158 WeakPolarHBondContact OH-CB 3.45Å; Y114-V159 HydrophobicContact CD2-CG2 4.14Å; Y114-V159 HydrophobicContact CE2-CB 4.41Å; Y114-V159 HydrophobicContact CE2-CG2 3.89Å; Y114-D162 HydrophobicContact CD2-CB 3.95Å; Y114-D162 HydrophobicContact CE2-CB 4.03Å; Y114-C553 VanDerWaalsContact CD1-O 3.3Å; Y114-C553 WeakPolarHBondContact CD1-O 3.19Å; Y114-C553 VanDerWaalsContact CE1-O 3.27Å; Y114-C553 WeakPolarHBondContact CE1-O 2.93Å; Y114-L554 HydrophobicContact CD1-CD2 3.83Å; Y114-L554 HydrophobicContact CG-CD2 3.94Å
115	P	97	Very high	96.8	Very high	69 Å²	69	25.8 Å²	25.8	45%	0.448	13%	0.126	S	C	.	.			trans	-77.4	-7.3	-170.1	31.9	-38.2	0	0	0	113.2	S111 K113 R170	S111-P115 WeakPolarHBondContact O-CA 3.27Å; K113-P115 VanDerWaalsContact O-CD 3.31Å; K113-P115 WeakPolarHBondContact O-CD 3.44Å; P115-R170 PolarHBondContact O-NH1 3.03Å
116	C	95.7	Very high	96.7	Very high	10 Å²	10	26 Å²	26	7%	0.068	13%	0.126	C	C	.	.	S	Bend	trans	-60.5	152.5	175.1	77.9	0	0	0	0	110.1	Y114 P119	Y114-C116 PolarHBondContact O-N 3.42Å; C116-P119 VanDerWaalsContact O-CD 3.3Å; C116-P119 WeakPolarHBondContact O-CD 3.32Å; C116-P119 WeakPolarHBondContact O-CG 3.42Å
117	R	93.7	Very high	96.7	Very high	10 Å²	10	26 Å²	26	4%	0.038	13%	0.126	C	C	.	.	S	Bend	trans	-66.9	140.6	179	-163.5	-171	-178.7	170	8.7	112.8	C109 K122 Q176 A544 Q545	C109-R117 CarbonylContact O-C 3.55Å; C109-R117 WeakPolarHBondContact O-CA 3.42Å; R117-K122 WeakPolarHBondContact O-CD 3.34Å; R117-K122 WeakPolarHBondContact O-CE 3.42Å; R117-K122 PolarHBondContact O-NZ 2.77Å; R117-Q176 VanDerWaalsContact NH2-CD 3.32Å; R117-A544 PolarHBondContact NH1-O 3.36Å; R117-A544 VanDerWaalsContact NH1-O 3.1Å; R117-Q545 VanDerWaalsContact NH2-CG 3.34Å
118	D	93.4	Very high	96.6	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.043	13%	0.133	C	C	.	.			trans	49.7	57.3	176.8	-57.6	-42.1	0	0	0	115.1	C109 F120 F121 K122	C109-D118 PolarHBondContact O-N 2.85Å; C109-D118 PolarHBondContact SG-OD1 2.64Å; C109-D118 VanDerWaalsContact SG-OD1 3.38Å; D118-F120 PolarHBondContact O-N 2.95Å; D118-F121 HydrophobicContact CB-CB 4.39Å; D118-F121 HydrophobicContact CB-CD2 4.36Å; D118-F121 PolarHBondContact O-N 2.87Å; D118-K122 WeakPolarHBondContact O-CG 3.29Å; D118-K122 PolarHBondContact O-N 3.47Å; D118-K122 VanDerWaalsContact O-N 3.12Å
119	P	97.1	Very high	96.5	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-49.8	-43.2	173	-30	38.3	0	0	0	113.3	L108 C109 Y114 C116 K122 M123 V159 L554	L108-P119 WeakPolarHBondContact O-CD 3.47Å; C109-P119 WeakPolarHBondContact O-CD 3.3Å; Y114-P119 WeakPolarHBondContact O-CG 3.37Å; C116-P119 VanDerWaalsContact O-CD 3.3Å; C116-P119 WeakPolarHBondContact O-CD 3.32Å; C116-P119 WeakPolarHBondContact O-CG 3.42Å; P119-K122 PolarHBondContact O-N 2.76Å; P119-M123 WeakPolarHBondContact O-CB 3.23Å; P119-M123 VanDerWaalsContact O-CG 3.25Å; P119-M123 WeakPolarHBondContact O-CG 3.28Å; P119-M123 PolarHBondContact O-N 2.61Å; P119-V159 HydrophobicContact CB-CG1 4.16Å; P119-L554 HydrophobicContact CB-CD2 3.74Å; P119-L554 HydrophobicContact CG-CD2 4.32Å
120	F	96.8	Very high	96.4	Very high	14 Å²	14	27.9 Å²	27.9	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-54	-177.3	174.3	-91.6	0	0	0	112.3	L108 D118 K122 M123 L124 M132 Y160	L108-F120 HydrophobicContact CB-CB 3.73Å; L108-F120 HydrophobicContact CB-CG 4.24Å; L108-F120 HydrophobicContact CD1-CB 4.33Å; L108-F120 HydrophobicContact CD1-CD1 4.38Å; L108-F120 HydrophobicContact CD1-CD2 3.81Å; L108-F120 HydrophobicContact CD1-CE2 4.17Å; L108-F120 HydrophobicContact CD1-CG 3.93Å; L108-F120 HydrophobicContact CD2-CB 4.21Å; L108-F120 HydrophobicContact CD2-CD2 4.02Å; L108-F120 HydrophobicContact CD2-CG 4.38Å; L108-F120 HydrophobicContact CG-CB 4.3Å; L108-F120 HydrophobicContact CG-CD2 4.39Å; L108-F120 HydrophobicContact CG-CG 4.41Å; D118-F120 PolarHBondContact O-N 2.95Å; F120-K122 VanDerWaalsContact C-N 3.3Å; F120-K122 PolarHBondContact O-N 2.72Å; F120-M123 PolarHBondContact O-N 3.09Å; F120-M123 VanDerWaalsContact O-N 3.14Å; F120-L124 HydrophobicContact CE1-CD1 4.13Å; F120-L124 PolarHBondContact O-N 3.49Å; F120-M132 HydrophobicContact CD2-CE 4.25Å; F120-M132 HydrophobicContact CE2-CB 4.32Å; F120-M132 HydrophobicContact CE2-CE 4.33Å; F120-M132 HydrophobicContact CZ-CB 4.49Å; F120-Y160 WeakPolarHBondContact CE2-OH 3.38Å
121	F	93.7	Very high	96.4	Very high	51 Å²	51	30.1 Å²	30.1	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-32.7	-179.4	-74.3	-71.5	0	0	0	112.5	D118 L124 N125 H884	D118-F121 HydrophobicContact CB-CB 4.39Å; D118-F121 HydrophobicContact CB-CD2 4.36Å; D118-F121 PolarHBondContact O-N 2.87Å; F121-L124 HydrophobicContact CD1-CD1 3.87Å; F121-L124 HydrophobicContact CE1-CD1 4.43Å; F121-N125 PolarHBondContact O-ND2 3.3Å; F121-N125 VanDerWaalsContact O-ND2 3.11Å; F121-H884 AromaticContact CD1-CE1 3.53Å; F121-H884 AromaticContact CD1-NE2 3.89Å; F121-H884 AromaticContact CD2-NE2 3.86Å; F121-H884 AromaticContact CE1-CE1 3.43Å; F121-H884 VanDerWaalsContact CE1-CE1 3.43Å; F121-H884 WeakPolarHBondContact CE1-CE1 3.2Å; F121-H884 AromaticContact CG-CE1 3.92Å; F121-H884 AromaticContact CG-NE2 3.79Å; F121-H884 AromaticContact CZ-CE1 3.71Å
122	K	95.5	Very high	96.3	Very high	46 Å²	46	31 Å²	31	20%	0.2	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-41.5	172.1	-72.7	171.5	176.7	169.8	0	111.7	R117 D118 P119 F120 L124 N125 R126 A551 L554	R117-K122 WeakPolarHBondContact O-CD 3.34Å; R117-K122 WeakPolarHBondContact O-CE 3.42Å; R117-K122 PolarHBondContact O-NZ 2.77Å; D118-K122 WeakPolarHBondContact O-CG 3.29Å; D118-K122 PolarHBondContact O-N 3.47Å; D118-K122 VanDerWaalsContact O-N 3.12Å; P119-K122 PolarHBondContact O-N 2.76Å; F120-K122 VanDerWaalsContact C-N 3.3Å; F120-K122 PolarHBondContact O-N 2.72Å; K122-L124 VanDerWaalsContact C-N 3.28Å; K122-L124 PolarHBondContact O-N 2.84Å; K122-N125 PolarHBondContact O-N 2.96Å; K122-N125 VanDerWaalsContact O-N 3.07Å; K122-R126 WeakPolarHBondContact O-CG 3.45Å; K122-R126 PolarHBondContact O-N 2.83Å; K122-A551 HydrophobicContact CD-CB 4.01Å; K122-L554 HydrophobicContact CB-CD1 3.5Å; K122-L554 VanDerWaalsContact CB-CD1 3.5Å; K122-L554 HydrophobicContact CD-CD1 3.73Å; K122-L554 HydrophobicContact CG-CD1 4.27Å
123	M	97.5	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-30	179.1	-76.8	-54.7	-62.7	0	0	113.2	P119 F120 N125 R126 S127 M132 N155 L156 V159 L554 P555	P119-M123 WeakPolarHBondContact O-CB 3.23Å; P119-M123 VanDerWaalsContact O-CG 3.25Å; P119-M123 WeakPolarHBondContact O-CG 3.28Å; P119-M123 PolarHBondContact O-N 2.61Å; F120-M123 PolarHBondContact O-N 3.09Å; F120-M123 VanDerWaalsContact O-N 3.14Å; M123-N125 PolarHBondContact O-N 3.47Å; M123-R126 HydrophobicContact CE-CB 4.5Å; M123-R126 PolarHBondContact O-N 3.37Å; M123-R126 HydrophobicContact SD-CB 4.11Å; M123-S127 WeakPolarHBondContact O-CB 3.47Å; M123-S127 PolarHBondContact O-N 2.86Å; M123-M132 HydrophobicContact CB-CE 3.7Å; M123-N155 HydrophobicContact CE-CB 4.42Å; M123-L156 HydrophobicContact CB-CD2 4.37Å; M123-L156 HydrophobicContact CE-CD2 3.83Å; M123-V159 HydrophobicContact CG-CB 4.49Å; M123-V159 HydrophobicContact CG-CG1 4.12Å; M123-V159 HydrophobicContact CG-CG2 4.08Å; M123-V159 HydrophobicContact SD-CG2 4.25Å; M123-L554 HydrophobicContact SD-CB 4.21Å; M123-P555 HydrophobicContact CE-CG 4Å; M123-P555 HydrophobicContact SD-CG 4.05Å
124	L	94.2	Very high	96.2	Very high	39 Å²	39	23.6 Å²	23.6	20%	0.204	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.8	172	-69.7	173.6	0	0	0	113.8	F120 F121 K122 M132	F120-L124 HydrophobicContact CE1-CD1 4.13Å; F120-L124 PolarHBondContact O-N 3.49Å; F121-L124 HydrophobicContact CD1-CD1 3.87Å; F121-L124 HydrophobicContact CE1-CD1 4.43Å; K122-L124 VanDerWaalsContact C-N 3.28Å; K122-L124 PolarHBondContact O-N 2.84Å; L124-M132 HydrophobicContact CD2-CB 3.68Å; L124-M132 HydrophobicContact CD2-CE 4.06Å; L124-M132 HydrophobicContact CD2-CG 4.38Å; L124-M132 HydrophobicContact CD2-SD 3.88Å; L124-M132 HydrophobicContact CG-CE 4.3Å
125	N	94.5	Very high	96	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-0.3	177.6	-46.9	-72.7	0	0	0	112.8	F121 K122 M123 R876 E942	F121-N125 PolarHBondContact O-ND2 3.3Å; F121-N125 VanDerWaalsContact O-ND2 3.11Å; K122-N125 PolarHBondContact O-N 2.96Å; K122-N125 VanDerWaalsContact O-N 3.07Å; M123-N125 PolarHBondContact O-N 3.47Å; N125-R876 PolarHBondContact OD1-NE 2.88Å; N125-R876 PolarHBondContact OD1-NH2 3.31Å; N125-E942 HydrophobicContact CB-CB 3.87Å; N125-E942 CarbonylContact O-C 3.48Å; N125-E942 WeakPolarHBondContact O-CA 3.3Å; N125-E942 VanDerWaalsContact O-CB 3.22Å; N125-E942 WeakPolarHBondContact O-CB 3.43Å; N125-E942 WeakPolarHBondContact O-CG 3.41Å
126	R	97.5	Very high	96.1	Very high	20 Å²	20	24 Å²	24	8%	0.075	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	8.2	-179.9	-63	168.7	71	85.5	-7	112.4	K122 M123 A551 L554 P555 A556 L557 E942	K122-R126 WeakPolarHBondContact O-CG 3.45Å; K122-R126 PolarHBondContact O-N 2.83Å; M123-R126 HydrophobicContact CE-CB 4.5Å; M123-R126 PolarHBondContact O-N 3.37Å; M123-R126 HydrophobicContact SD-CB 4.11Å; R126-A551 PolarHBondContact NH2-O 3.48Å; R126-L554 PolarHBondContact NH2-O 3.14Å; R126-P555 PolarHBondContact NE-O 3.39Å; R126-A556 HydrophobicContact CB-CB 3.9Å; R126-A556 HydrophobicContact CG-CB 4.26Å; R126-L557 PolarHBondContact O-N 2.78Å; R126-E942 HydrophobicContact CG-CG 3.97Å; R126-E942 IonicContact CZ-OE1 2.93Å; R126-E942 IonicContact NH1-OE1 3.24Å; R126-E942 PolarHBondContact NH1-OE1 3.4Å
127	S	97.2	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.			trans	-131.5	162.8	-171.2	178.6	0	0	0	0	110.9	M123 S129 D152	M123-S127 WeakPolarHBondContact O-CB 3.47Å; M123-S127 PolarHBondContact O-N 2.86Å; S127-S129 WeakPolarHBondContact OG-CB 3.34Å; S127-S129 PolarHBondContact OG-N 3.28Å; S127-D152 WeakPolarHBondContact CA-OD1 3.34Å; S127-D152 VanDerWaalsContact CB-OD1 3.27Å; S127-D152 WeakPolarHBondContact CB-OD1 3.26Å; S127-D152 PolarHBondContact OG-OD1 3.46Å; S127-D152 PolarHBondContact OG-OD2 2.93Å
128	L	96.9	Very high	96.4	Very high	25 Å²	25	25.1 Å²	25.1	13%	0.131	13%	0.131	C	C	.	.			trans	-110.4	30.4	167.1	-69.1	175	0	0	0	110.5	T130 D152 L557 I562 L945 F948	L128-T130 PolarHBondContact O-N 2.88Å; L128-D152 VanDerWaalsContact C-OD2 3.3Å; L128-D152 WeakPolarHBondContact CA-OD2 3.37Å; L128-D152 PolarHBondContact N-OD2 3.47Å; L128-L557 HydrophobicContact CB-CD1 3.94Å; L128-L557 HydrophobicContact CD1-CD1 3.78Å; L128-L557 HydrophobicContact CG-CD1 3.64Å; L128-I562 HydrophobicContact CD1-CG1 4.06Å; L128-I562 HydrophobicContact CD2-CG1 4.2Å; L128-L945 HydrophobicContact CD2-CD2 4.1Å; L128-L945 WeakPolarHBondContact CD2-O 3.4Å; L128-L945 HydrophobicContact CG-CD2 4.19Å; L128-F948 HydrophobicContact CD2-CB 3.89Å
129	S	96.8	Very high	96.7	Very high	10 Å²	10	24.8 Å²	24.8	7%	0.07	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	136	178.7	64	0	0	0	0	111.7	S127 M132 S146 D152	S127-S129 WeakPolarHBondContact OG-CB 3.34Å; S127-S129 PolarHBondContact OG-N 3.28Å; S129-M132 PolarHBondContact OG-SD 3.16Å; S129-M132 VanDerWaalsContact OG-SD 3.4Å; S129-S146 CarbonylContact C-O 3.59Å; S129-S146 VanDerWaalsContact CA-O 3.31Å; S129-S146 WeakPolarHBondContact CA-O 3.33Å; S129-D152 PolarHBondContact N-OD2 3.02Å
130	T	96.1	Very high	96.8	Very high	24 Å²	24	26 Å²	26	15%	0.147	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-23	169.7	57.7	0	0	0	0	111.2	N82 L128 S146 Q148 P954	N82-T130 WeakPolarHBondContact OD1-CB 3.19Å; N82-T130 WeakPolarHBondContact OD1-CG2 3.47Å; N82-T130 PolarHBondContact OD1-OG1 3.22Å; L128-T130 PolarHBondContact O-N 2.88Å; T130-S146 PolarHBondContact N-O 2.94Å; T130-S146 WeakPolarHBondContact OG1-CB 3.45Å; T130-S146 PolarHBondContact OG1-O 3.38Å; T130-S146 VanDerWaalsContact OG1-O 3.1Å; T130-S146 PolarHBondContact OG1-OG 3.3Å; T130-Q148 HydrophobicContact CG2-CG 4.05Å; T130-P954 HydrophobicContact CG2-CG 3.79Å
131	F	97.1	Very high	96.9	Very high	47 Å²	47	25.3 Å²	25.3	21%	0.206	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	140.1	173.2	-172.1	-94.3	0	0	0	110	N133 F135 P144 F145 S146 L442	F131-N133 HydrophobicContact CD1-CB 4.38Å; F131-N133 HydrophobicContact CE1-CB 3.39Å; F131-N133 HydrophobicContact CE2-CB 4.31Å; F131-N133 HydrophobicContact CZ-CB 3.35Å; F131-F135 HydrophobicContact CE1-CE1 4.14Å; F131-F135 AromaticContact CZ-CE1 3.94Å; F131-F135 HydrophobicContact CZ-CE1 3.94Å; F131-P144 HydrophobicContact CE1-CB 4.4Å; F131-P144 HydrophobicContact CE1-CG 4.05Å; F131-F145 CarbonylContact O-C 3.6Å; F131-F145 VanDerWaalsContact O-CA 3.24Å; F131-F145 WeakPolarHBondContact O-CA 3.25Å; F131-F145 WeakPolarHBondContact O-CB 3.46Å; F131-S146 WeakPolarHBondContact CB-OG 3.26Å; F131-S146 PolarHBondContact N-O 2.85Å; F131-S146 PolarHBondContact N-OG 3.01Å; F131-S146 PolarHBondContact O-N 3.01Å; F131-L442 HydrophobicContact CD1-CD1 4.33Å; F131-L442 HydrophobicContact CD1-CD2 4.12Å; F131-L442 HydrophobicContact CD2-CD2 3.91Å; F131-L442 HydrophobicContact CE1-CD1 4.06Å; F131-L442 HydrophobicContact CE1-CD2 4Å; F131-L442 HydrophobicContact CE2-CD2 3.76Å; F131-L442 HydrophobicContact CG-CD2 4.08Å; F131-L442 HydrophobicContact CZ-CD1 4.49Å; F131-L442 HydrophobicContact CZ-CD2 3.8Å
132	M	97.3	Very high	97.1	Very high	19 Å²	19	23 Å²	23	9%	0.094	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	119.1	169.1	-84.8	175.8	67.3	0	0	107.1	F120 M123 L124 S129 F145 L156 Y160	F120-M132 HydrophobicContact CD2-CE 4.25Å; F120-M132 HydrophobicContact CE2-CB 4.32Å; F120-M132 HydrophobicContact CE2-CE 4.33Å; F120-M132 HydrophobicContact CZ-CB 4.49Å; M123-M132 HydrophobicContact CB-CE 3.7Å; L124-M132 HydrophobicContact CD2-CB 3.68Å; L124-M132 HydrophobicContact CD2-CE 4.06Å; L124-M132 HydrophobicContact CD2-CG 4.38Å; L124-M132 HydrophobicContact CD2-SD 3.88Å; L124-M132 HydrophobicContact CG-CE 4.3Å; S129-M132 PolarHBondContact OG-SD 3.16Å; S129-M132 VanDerWaalsContact OG-SD 3.4Å; M132-F145 HydrophobicContact CG-CB 3.92Å; M132-L156 HydrophobicContact CE-CD2 3.77Å; M132-L156 HydrophobicContact CG-CD1 4.35Å; M132-L156 HydrophobicContact CG-CD2 4.33Å; M132-L156 HydrophobicContact SD-CD1 4.27Å; M132-L156 HydrophobicContact SD-CD2 3.51Å; M132-L156 VanDerWaalsContact SD-CD2 3.51Å; M132-Y160 HydrophobicContact CE-CE2 4.2Å
133	N	96.7	Very high	97.2	Very high	67 Å²	67	20.8 Å²	20.8	36%	0.358	11%	0.111	S	C	.	.			trans	-160	-179	175.6	-147.9	-6.3	0	0	0	111.1	F131 F135 P144 Y160	F131-N133 HydrophobicContact CD1-CB 4.38Å; F131-N133 HydrophobicContact CE1-CB 3.39Å; F131-N133 HydrophobicContact CE2-CB 4.31Å; F131-N133 HydrophobicContact CZ-CB 3.35Å; N133-F135 HydrophobicContact CB-CD1 4.42Å; N133-F135 HydrophobicContact CB-CE1 4.2Å; N133-P144 PolarHBondContact N-O 3.19Å; N133-P144 VanDerWaalsContact N-O 3.15Å; N133-P144 VanDerWaalsContact O-CD 3.3Å; N133-P144 WeakPolarHBondContact O-CD 3.28Å; N133-P144 VanDerWaalsContact O-O 3.04Å; N133-Y160 PolarHBondContact N-OH 3.38Å; N133-Y160 PolarHBondContact O-OH 2.87Å
134	A	97	Very high	97.3	Very high	6 Å²	6	20.8 Å²	20.8	5%	0.05	11%	0.111	C	C	.	.			trans	-142.7	160.1	161.1	0	0	0	0	0	108.6	E104 L108 M142 Y143	E104-A134 HydrophobicContact CG-CB 3.67Å; E104-A134 VanDerWaalsContact OE1-CB 3.29Å; E104-A134 WeakPolarHBondContact OE1-CB 3.38Å; L108-A134 HydrophobicContact CD1-CB 4.18Å; A134-M142 WeakPolarHBondContact CA-O 3.18Å; A134-Y143 HydrophobicContact CB-CD1 3.46Å; A134-Y143 VanDerWaalsContact CB-CD1 3.46Å; A134-Y143 HydrophobicContact CB-CE1 3.78Å; A134-Y143 HydrophobicContact CB-CG 4.22Å
135	F	94.9	Very high	97.5	Very high	61 Å²	61	18.9 Å²	18.9	27%	0.268	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146.1	176	17.6	-93.7	0	0	0	111.7	F131 N133 T141 M142 P144 L442	F131-F135 HydrophobicContact CE1-CE1 4.14Å; F131-F135 AromaticContact CZ-CE1 3.94Å; F131-F135 HydrophobicContact CZ-CE1 3.94Å; N133-F135 HydrophobicContact CB-CD1 4.42Å; N133-F135 HydrophobicContact CB-CE1 4.2Å; F135-T141 WeakPolarHBondContact O-CA 3.47Å; F135-M142 HydrophobicContact CD2-CB 4.05Å; F135-M142 HydrophobicContact CE2-CB 4.02Å; F135-M142 HydrophobicContact CE2-CG 4.17Å; F135-M142 HydrophobicContact CE2-SD 3.76Å; F135-M142 HydrophobicContact CZ-SD 4.49Å; F135-M142 PolarHBondContact N-O 3.28Å; F135-M142 PolarHBondContact O-N 2.69Å; F135-P144 HydrophobicContact CE1-CG 3.77Å; F135-P144 HydrophobicContact CE2-CG 3.75Å; F135-P144 HydrophobicContact CZ-CG 3.16Å; F135-L442 HydrophobicContact CZ-CD1 4.08Å
136	T	98.3	Very high	97.7	Very high	30 Å²	30	18.4 Å²	18.4	18%	0.184	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.2	178.4	-61.4	0	0	0	0	109.5	P100 H101 E104	P100-T136 HydrophobicContact CB-CG2 3.84Å; P100-T136 HydrophobicContact CG-CG2 3.96Å; H101-T136 HydrophobicContact CB-CG2 4.17Å; E104-T136 WeakPolarHBondContact CB-OG1 3.31Å
137	A	98.1	Very high	97.7	Very high	27 Å²	27	17.4 Å²	17.4	22%	0.223	10%	0.095	C	C	.	.			trans	-86	-166.5	169.8	0	0	0	0	0	110.5	Y140 S232	A137-Y140 HydrophobicContact CB-CD1 3.71Å; A137-Y140 HydrophobicContact CB-CD2 3.97Å; A137-Y140 HydrophobicContact CB-CE1 3.39Å; A137-Y140 HydrophobicContact CB-CE2 3.67Å; A137-Y140 HydrophobicContact CB-CG 3.98Å; A137-Y140 PolarHBondContact N-O 3.44Å; A137-S232 WeakPolarHBondContact O-CB 3.24Å; A137-S232 PolarHBondContact O-OG 3.31Å
138	S	98.4	Very high	97.6	Very high	17 Å²	17	21.2 Å²	21.2	12%	0.119	11%	0.112	C	C	.	.	S	Bend	trans	-67	-34.9	179.4	-60.1	0	0	0	0	113.3	Q219 S232	S138-Q219 PolarHBondContact OG-NE2 2.73Å; S138-Q219 VanDerWaalsContact OG-NE2 3.11Å; S138-Q219 PolarHBondContact OG-OE1 2.81Å; S138-S232 WeakPolarHBondContact CA-OG 3.26Å
139	D	98.6	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-143.7	13.7	-172.6	69.6	-24.5	0	0	0	114.6	R90 T91 T227 Y228 V294 N453 H454	R90-D139 CarbonylContact C-O 3.55Å; T91-D139 PolarHBondContact N-O 3.02Å; T91-D139 CarbonylContact O-C 3.56Å; T91-D139 VanDerWaalsContact O-C 3.24Å; T91-D139 WeakPolarHBondContact O-CA 3.26Å; D139-T227 HydrophobicContact CB-CG2 3.86Å; D139-Y228 HydrophobicContact CB-CE1 3.72Å; D139-Y228 PolarHBondContact OD2-OH 3.48Å; D139-V294 HydrophobicContact CB-CG2 4.36Å; D139-N453 PolarHBondContact O-ND2 2.9Å; D139-N453 PolarHBondContact OD1-ND2 3.36Å; D139-N453 PolarHBondContact OD2-ND2 3.27Å; D139-H454 IonicContact OD2-CE1 2.76Å; D139-H454 PolarHBondContact OD2-CE1 2.87Å; D139-H454 IonicContact OD2-NE2 2.92Å; D139-H454 PolarHBondContact OD2-NE2 3.43Å; D139-H454 VanDerWaalsContact OD2-NE2 3.12Å
140	Y	98.8	Very high	97.5	Very high	29 Å²	29	22.8 Å²	22.8	11%	0.114	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.8	170.1	68.6	-94.6	0	0	0	112	Q88 F89 T91 A137 A449 P450 N453	Q88-Y140 HydrophobicContact CG-CD2 4.08Å; Q88-Y140 HydrophobicContact CG-CG 4.33Å; F89-Y140 CarbonylContact O-C 3.55Å; F89-Y140 WeakPolarHBondContact O-CA 3.39Å; F89-Y140 WeakPolarHBondContact O-CB 3.41Å; T91-Y140 WeakPolarHBondContact OG1-CA 3.3Å; T91-Y140 PolarHBondContact OG1-N 3.49Å; A137-Y140 HydrophobicContact CB-CD1 3.71Å; A137-Y140 HydrophobicContact CB-CD2 3.97Å; A137-Y140 HydrophobicContact CB-CE1 3.39Å; A137-Y140 HydrophobicContact CB-CE2 3.67Å; A137-Y140 HydrophobicContact CB-CG 3.98Å; A137-Y140 PolarHBondContact N-O 3.44Å; Y140-A449 HydrophobicContact CE2-CB 4.09Å; Y140-P450 HydrophobicContact CE1-CG 4.22Å; Y140-N453 WeakPolarHBondContact CB-OD1 3.39Å
141	T	98.9	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.9	171.9	-54.6	0	0	0	0	108.7	Q88 F89 T91 E104 F135 Y143	Q88-T141 WeakPolarHBondContact CA-O 3.41Å; F89-T141 PolarHBondContact N-O 3.41Å; F89-T141 PolarHBondContact O-N 3.16Å; T91-T141 PolarHBondContact OG1-N 2.81Å; T91-T141 PolarHBondContact OG1-OG1 3.13Å; E104-T141 HydrophobicContact CB-CG2 3.78Å; E104-T141 HydrophobicContact CG-CG2 3.68Å; F135-T141 WeakPolarHBondContact O-CA 3.47Å; T141-Y143 HydrophobicContact CG2-CD2 4.39Å; T141-Y143 HydrophobicContact CG2-CE2 3.56Å
142	M	98.7	Very high	97.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.6	-178.9	-175.7	-173.5	-71.9	0	0	111.3	V87 Q88 A134 F135 P144 A445 A449	V87-M142 WeakPolarHBondContact O-CA 3.39Å; Q88-M142 HydrophobicContact CB-CE 4.49Å; A134-M142 WeakPolarHBondContact CA-O 3.18Å; F135-M142 HydrophobicContact CD2-CB 4.05Å; F135-M142 HydrophobicContact CE2-CB 4.02Å; F135-M142 HydrophobicContact CE2-CG 4.17Å; F135-M142 HydrophobicContact CE2-SD 3.76Å; F135-M142 HydrophobicContact CZ-SD 4.49Å; F135-M142 PolarHBondContact N-O 3.28Å; F135-M142 PolarHBondContact O-N 2.69Å; M142-P144 HydrophobicContact CG-CG 4.18Å; M142-P144 WeakPolarHBondContact O-CD 3.47Å; M142-P144 HydrophobicContact SD-CG 4.11Å; M142-A445 HydrophobicContact SD-CB 4.35Å; M142-A449 HydrophobicContact CE-CB 3.44Å; M142-A449 VanDerWaalsContact CE-CB 3.44Å
143	Y	98.8	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	88.3	177.6	-59.3	-95.2	0	0	0	111.1	S86 V87 F89 E104 V107 L108 A134 T141 V164 Y255	S86-Y143 WeakPolarHBondContact CA-O 3.19Å; V87-Y143 HydrophobicContact CG1-CD2 4.35Å; V87-Y143 PolarHBondContact N-O 2.95Å; V87-Y143 PolarHBondContact O-N 2.86Å; F89-Y143 HydrophobicContact CD2-CD2 4.24Å; F89-Y143 HydrophobicContact CD2-CE2 4Å; F89-Y143 HydrophobicContact CE2-CD2 4.15Å; F89-Y143 HydrophobicContact CE2-CE2 4.12Å; E104-Y143 WeakPolarHBondContact CA-OH 3.45Å; E104-Y143 HydrophobicContact CG-CE1 3.94Å; V107-Y143 HydrophobicContact CG2-CE1 3.58Å; V107-Y143 VanDerWaalsContact CG2-OH 3.24Å; V107-Y143 WeakPolarHBondContact CG2-OH 3.34Å; L108-Y143 HydrophobicContact CD2-CD1 4.31Å; L108-Y143 HydrophobicContact CD2-CE1 4.38Å; L108-Y143 HydrophobicContact CG-CE1 4.48Å; A134-Y143 HydrophobicContact CB-CD1 3.46Å; A134-Y143 VanDerWaalsContact CB-CD1 3.46Å; A134-Y143 HydrophobicContact CB-CE1 3.78Å; A134-Y143 HydrophobicContact CB-CG 4.22Å; T141-Y143 HydrophobicContact CG2-CD2 4.39Å; T141-Y143 HydrophobicContact CG2-CE2 3.56Å; Y143-V164 HydrophobicContact CD1-CG1 3.88Å; Y143-V164 HydrophobicContact CD2-CG1 3.61Å; Y143-V164 HydrophobicContact CE1-CG1 4.06Å; Y143-V164 HydrophobicContact CE2-CG1 3.79Å; Y143-V164 HydrophobicContact CG-CG1 3.66Å; Y143-Y255 AromaticContact CE2-CE1 3.75Å; Y143-Y255 HydrophobicContact CE2-CE1 3.75Å; Y143-Y255 AromaticContact CZ-CE1 3.9Å; Y143-Y255 WeakPolarHBondContact OH-CE1 3.28Å; Y143-Y255 PolarHBondContact OH-OH 3.02Å
144	P	98.6	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	145.2	176.9	22.2	-10.1	0	0	0	114.4	L84 F85 F131 N133 F135 M142 Y160 L442	L84-P144 HydrophobicContact CD1-CB 4.42Å; F85-P144 VanDerWaalsContact O-CA 3.23Å; F85-P144 WeakPolarHBondContact O-CA 3.41Å; F131-P144 HydrophobicContact CE1-CB 4.4Å; F131-P144 HydrophobicContact CE1-CG 4.05Å; N133-P144 PolarHBondContact N-O 3.19Å; N133-P144 VanDerWaalsContact N-O 3.15Å; N133-P144 VanDerWaalsContact O-CD 3.3Å; N133-P144 WeakPolarHBondContact O-CD 3.28Å; N133-P144 VanDerWaalsContact O-O 3.04Å; F135-P144 HydrophobicContact CE1-CG 3.77Å; F135-P144 HydrophobicContact CE2-CG 3.75Å; F135-P144 HydrophobicContact CZ-CG 3.16Å; M142-P144 HydrophobicContact CG-CG 4.18Å; M142-P144 WeakPolarHBondContact O-CD 3.47Å; M142-P144 HydrophobicContact SD-CG 4.11Å; P144-Y160 PolarHBondContact O-OH 2.86Å; P144-L442 HydrophobicContact CB-CD1 3.81Å; P144-L442 HydrophobicContact CG-CD1 3.81Å
145	F	98.7	Very high	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.4	160	70.7	-97.6	0	0	0	110.7	L84 F85 F131 M132 F153 L156 L157 Y160	L84-F145 WeakPolarHBondContact CA-O 3.45Å; L84-F145 WeakPolarHBondContact CG-O 3.47Å; F85-F145 HydrophobicContact CB-CD1 4.25Å; F85-F145 HydrophobicContact CB-CE1 3.66Å; F85-F145 HydrophobicContact CB-CE2 4.09Å; F85-F145 HydrophobicContact CB-CZ 3.55Å; F85-F145 AromaticContact CD1-CD1 3.86Å; F85-F145 HydrophobicContact CD1-CD1 3.86Å; F85-F145 AromaticContact CD1-CE1 3.34Å; F85-F145 HydrophobicContact CD1-CE1 3.34Å; F85-F145 HydrophobicContact CD1-CZ 4.08Å; F85-F145 HydrophobicContact CE1-CE1 4.25Å; F85-F145 AromaticContact CG-CE1 3.8Å; F85-F145 HydrophobicContact CG-CE1 3.8Å; F85-F145 HydrophobicContact CG-CZ 4.07Å; F85-F145 PolarHBondContact N-O 3.41Å; F85-F145 PolarHBondContact O-N 3.27Å; F131-F145 CarbonylContact O-C 3.6Å; F131-F145 VanDerWaalsContact O-CA 3.24Å; F131-F145 WeakPolarHBondContact O-CA 3.25Å; F131-F145 WeakPolarHBondContact O-CB 3.46Å; M132-F145 HydrophobicContact CG-CB 3.92Å; F145-F153 HydrophobicContact CE2-CD1 4.37Å; F145-F153 AromaticContact CE2-CD2 3.77Å; F145-F153 HydrophobicContact CE2-CD2 3.77Å; F145-F153 AromaticContact CE2-CE2 3.95Å; F145-F153 HydrophobicContact CE2-CE2 3.95Å; F145-F153 HydrophobicContact CE2-CG 4.01Å; F145-F153 HydrophobicContact CE2-CZ 4.34Å; F145-F153 HydrophobicContact CZ-CD1 4.41Å; F145-F153 HydrophobicContact CZ-CD2 4.5Å; F145-F153 HydrophobicContact CZ-CE1 4.35Å; F145-F153 HydrophobicContact CZ-CE2 4.45Å; F145-F153 HydrophobicContact CZ-CG 4.49Å; F145-F153 HydrophobicContact CZ-CZ 4.4Å; F145-L156 HydrophobicContact CB-CD1 4.29Å; F145-L156 HydrophobicContact CD1-CB 3.96Å; F145-L156 HydrophobicContact CD2-CB 3.62Å; F145-L156 HydrophobicContact CD2-CD1 3.48Å; F145-L156 VanDerWaalsContact CD2-CD1 3.48Å; F145-L156 HydrophobicContact CD2-CG 4.21Å; F145-L156 HydrophobicContact CE1-CB 3.85Å; F145-L156 HydrophobicContact CE2-CB 3.53Å; F145-L156 HydrophobicContact CE2-CD1 4.03Å; F145-L156 HydrophobicContact CE2-CG 4.44Å; F145-L156 HydrophobicContact CG-CB 3.85Å; F145-L156 HydrophobicContact CG-CD1 3.99Å; F145-L156 HydrophobicContact CZ-CB 3.65Å; F145-L157 HydrophobicContact CE1-CB 4.34Å; F145-L157 HydrophobicContact CZ-CB 3.89Å; F145-L157 VanDerWaalsContact CZ-N 3.31Å; F145-Y160 HydrophobicContact CB-CE1 4.37Å; F145-Y160 HydrophobicContact CB-CE2 4.11Å; F145-Y160 AromaticContact CD1-CD1 3.92Å; F145-Y160 HydrophobicContact CD1-CD1 3.92Å; F145-Y160 AromaticContact CD1-CD2 3.68Å; F145-Y160 HydrophobicContact CD1-CD2 3.68Å; F145-Y160 HydrophobicContact CD1-CE1 4.09Å; F145-Y160 AromaticContact CD1-CE2 3.84Å; F145-Y160 HydrophobicContact CD1-CE2 3.84Å; F145-Y160 AromaticContact CD1-CG 3.72Å; F145-Y160 HydrophobicContact CD1-CG 3.72Å; F145-Y160 HydrophobicContact CE1-CD2 4.21Å; F145-Y160 HydrophobicContact CE1-CG 4.11Å; F145-Y160 HydrophobicContact CG-CE2 4.3Å
146	S	98.3	Very high	97.9	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.6	169.2	60	0	0	0	0	112.6	N83 S129 T130 F131	N83-S146 CarbonylContact O-C 3.52Å; N83-S146 WeakPolarHBondContact O-CA 3.17Å; N83-S146 WeakPolarHBondContact O-CB 3.14Å; S129-S146 CarbonylContact C-O 3.59Å; S129-S146 VanDerWaalsContact CA-O 3.31Å; S129-S146 WeakPolarHBondContact CA-O 3.33Å; T130-S146 PolarHBondContact N-O 2.94Å; T130-S146 WeakPolarHBondContact OG1-CB 3.45Å; T130-S146 PolarHBondContact OG1-O 3.38Å; T130-S146 VanDerWaalsContact OG1-O 3.1Å; T130-S146 PolarHBondContact OG1-OG 3.3Å; F131-S146 WeakPolarHBondContact CB-OG 3.26Å; F131-S146 PolarHBondContact N-O 2.85Å; F131-S146 PolarHBondContact N-OG 3.01Å; F131-S146 PolarHBondContact O-N 3.01Å
147	T	97.8	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	154.9	177.6	-177.6	0	0	0	0	110.7	N83 N149 D152 F153 L156	N83-T147 PolarHBondContact N-O 2.92Å; N83-T147 PolarHBondContact O-N 3.43Å; T147-N149 PolarHBondContact OG1-N 3.28Å; T147-D152 WeakPolarHBondContact CB-OD2 3.25Å; T147-D152 HydrophobicContact CG2-CB 4.07Å; T147-D152 PolarHBondContact OG1-OD2 3.23Å; T147-F153 HydrophobicContact CG2-CB 3.65Å; T147-F153 HydrophobicContact CG2-CD2 3.99Å; T147-F153 HydrophobicContact CG2-CG 4.29Å; T147-L156 HydrophobicContact CG2-CD1 4.35Å
148	Q	95.1	Very high	98	Very high	80 Å²	80	19.3 Å²	19.3	37%	0.374	10%	0.1	S	C	.	.	S	Bend	trans	-90.9	-5.9	174.6	-64.4	177.4	105.1	0	0	113.4	S81 N82 T130 D952 P954	S81-Q148 VanDerWaalsContact O-CA 3.29Å; S81-Q148 WeakPolarHBondContact O-CA 3.35Å; S81-Q148 PolarHBondContact OG-OE1 2.76Å; N82-Q148 HydrophobicContact CB-CG 4.32Å; T130-Q148 HydrophobicContact CG2-CG 4.05Å; Q148-D952 PolarHBondContact NE2-O 3.4Å; Q148-P954 HydrophobicContact CG-CG 4.13Å
149	N	95.9	Very high	98	Very high	41 Å²	41	18.8 Å²	18.8	22%	0.219	10%	0.096	C	C	.	.			trans	-107.3	119.6	-175.6	-178.6	-53.9	0	0	0	110.4	T147 K151 D152 F153	T147-N149 PolarHBondContact OG1-N 3.28Å; N149-K151 VanDerWaalsContact C-N 3.29Å; N149-K151 PolarHBondContact O-N 3.2Å; N149-K151 WeakPolarHBondContact OD1-CA 3.39Å; N149-K151 WeakPolarHBondContact OD1-CB 3.49Å; N149-K151 PolarHBondContact OD1-N 3.3Å; N149-D152 HydrophobicContact CB-CB 3.69Å; N149-D152 WeakPolarHBondContact O-CB 3.14Å; N149-D152 PolarHBondContact O-N 2.68Å; N149-D152 VanDerWaalsContact O-N 3.17Å; N149-D152 PolarHBondContact OD1-N 3.19Å; N149-F153 PolarHBondContact O-N 3.44Å
150	G	95.4	Very high	98	Very high	26 Å²	26	18.9 Å²	18.9	27%	0.268	10%	0.096	S	C	.	.	H	α-helix	trans	-62.2	-30.8	-177.6	0	0	0	0	0	114.5	Q154	G150-Q154 WeakPolarHBondContact O-CG 3.33Å; G150-Q154 PolarHBondContact O-N 2.86Å
151	K	96.1	Very high	98	Very high	115 Å²	115	17.6 Å²	17.6	50%	0.5	9%	0.091	S	C	.	.	H	α-helix	trans	-74.1	-40.9	175.2	179	56.9	-175.4	162.9	0	111.4	N149 F153 Q154 N155 L557	N149-K151 VanDerWaalsContact C-N 3.29Å; N149-K151 PolarHBondContact O-N 3.2Å; N149-K151 WeakPolarHBondContact OD1-CA 3.39Å; N149-K151 WeakPolarHBondContact OD1-CB 3.49Å; N149-K151 PolarHBondContact OD1-N 3.3Å; K151-F153 VanDerWaalsContact C-N 3.28Å; K151-F153 PolarHBondContact O-N 2.94Å; K151-Q154 PolarHBondContact O-N 3.15Å; K151-N155 WeakPolarHBondContact CE-OD1 3.33Å; K151-N155 PolarHBondContact NZ-OD1 3.15Å; K151-N155 PolarHBondContact O-N 3.12Å; K151-N155 PolarHBondContact O-ND2 3.29Å; K151-N155 PolarHBondContact O-OD1 3.15Å; K151-L557 HydrophobicContact CB-CD2 4.47Å; K151-L557 HydrophobicContact CG-CD2 4.27Å
152	D	97.8	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-40.8	173.9	-163.1	27.4	0	0	0	111.4	S127 L128 S129 T147 N149 Q154 N155 L156 L557	S127-D152 WeakPolarHBondContact CA-OD1 3.34Å; S127-D152 VanDerWaalsContact CB-OD1 3.27Å; S127-D152 WeakPolarHBondContact CB-OD1 3.26Å; S127-D152 PolarHBondContact OG-OD1 3.46Å; S127-D152 PolarHBondContact OG-OD2 2.93Å; L128-D152 VanDerWaalsContact C-OD2 3.3Å; L128-D152 WeakPolarHBondContact CA-OD2 3.37Å; L128-D152 PolarHBondContact N-OD2 3.47Å; S129-D152 PolarHBondContact N-OD2 3.02Å; T147-D152 WeakPolarHBondContact CB-OD2 3.25Å; T147-D152 HydrophobicContact CG2-CB 4.07Å; T147-D152 PolarHBondContact OG1-OD2 3.23Å; N149-D152 HydrophobicContact CB-CB 3.69Å; N149-D152 WeakPolarHBondContact O-CB 3.14Å; N149-D152 PolarHBondContact O-N 2.68Å; N149-D152 VanDerWaalsContact O-N 3.17Å; N149-D152 PolarHBondContact OD1-N 3.19Å; D152-Q154 VanDerWaalsContact C-N 3.34Å; D152-Q154 PolarHBondContact O-N 3.5Å; D152-N155 WeakPolarHBondContact O-CB 3.31Å; D152-N155 PolarHBondContact O-N 2.88Å; D152-N155 VanDerWaalsContact O-N 3.14Å; D152-L156 WeakPolarHBondContact O-CG 3.35Å; D152-L156 PolarHBondContact O-N 3.49Å; D152-L557 HydrophobicContact CB-CD1 3.87Å; D152-L557 HydrophobicContact CB-CD2 4.29Å; D152-L557 HydrophobicContact CB-CG 4.25Å
153	F	98.5	Very high	98	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-47.1	177.1	-168.9	-78.3	0	0	0	111.2	N83 F85 F145 T147 N149 K151 N155 L156 L157 T264 L268 H273	N83-F153 HydrophobicContact CB-CD2 3.78Å; N83-F153 HydrophobicContact CB-CE2 3.77Å; F85-F153 HydrophobicContact CB-CE1 4.33Å; F85-F153 HydrophobicContact CB-CE2 4.18Å; F85-F153 HydrophobicContact CB-CZ 3.66Å; F145-F153 HydrophobicContact CE2-CD1 4.37Å; F145-F153 AromaticContact CE2-CD2 3.77Å; F145-F153 HydrophobicContact CE2-CD2 3.77Å; F145-F153 AromaticContact CE2-CE2 3.95Å; F145-F153 HydrophobicContact CE2-CE2 3.95Å; F145-F153 HydrophobicContact CE2-CG 4.01Å; F145-F153 HydrophobicContact CE2-CZ 4.34Å; F145-F153 HydrophobicContact CZ-CD1 4.41Å; F145-F153 HydrophobicContact CZ-CD2 4.5Å; F145-F153 HydrophobicContact CZ-CE1 4.35Å; F145-F153 HydrophobicContact CZ-CE2 4.45Å; F145-F153 HydrophobicContact CZ-CG 4.49Å; F145-F153 HydrophobicContact CZ-CZ 4.4Å; T147-F153 HydrophobicContact CG2-CB 3.65Å; T147-F153 HydrophobicContact CG2-CD2 3.99Å; T147-F153 HydrophobicContact CG2-CG 4.29Å; N149-F153 PolarHBondContact O-N 3.44Å; K151-F153 VanDerWaalsContact C-N 3.28Å; K151-F153 PolarHBondContact O-N 2.94Å; F153-N155 PolarHBondContact O-N 3.41Å; F153-L156 PolarHBondContact O-N 3.13Å; F153-L157 HydrophobicContact CE1-CD2 4.29Å; F153-L157 WeakPolarHBondContact O-CB 3.47Å; F153-L157 PolarHBondContact O-N 3.46Å; F153-T264 HydrophobicContact CZ-CG2 4.2Å; F153-L268 HydrophobicContact CB-CD1 3.84Å; F153-L268 HydrophobicContact CD1-CD1 4.34Å; F153-L268 HydrophobicContact CD2-CD1 3.89Å; F153-L268 HydrophobicContact CG-CD1 3.76Å; F153-H273 AromaticContact CD1-CE1 3.59Å; F153-H273 AromaticContact CD1-ND1 3.84Å; F153-H273 AromaticContact CE1-CE1 3.2Å; F153-H273 WeakPolarHBondContact CE1-CE1 3.44Å; F153-H273 AromaticContact CE1-ND1 3.34Å; F153-H273 VanDerWaalsContact CE1-ND1 3.34Å; F153-H273 WeakPolarHBondContact CE1-ND1 3.31Å; F153-H273 AromaticContact CE1-NE2 3.84Å; F153-H273 AromaticContact CZ-CE1 3.74Å; F153-H273 AromaticContact CZ-NE2 3.94Å
154	Q	98.4	Very high	98	Very high	70 Å²	70	18.1 Å²	18.1	33%	0.327	9%	0.094	S	C	.	.	H	α-helix	trans	-63.3	-41.3	176.7	-67.9	171.8	5.1	0	0	112.1	G150 K151 D152 L157 S158 Q276	G150-Q154 WeakPolarHBondContact O-CG 3.33Å; G150-Q154 PolarHBondContact O-N 2.86Å; K151-Q154 PolarHBondContact O-N 3.15Å; D152-Q154 VanDerWaalsContact C-N 3.34Å; D152-Q154 PolarHBondContact O-N 3.5Å; Q154-L157 PolarHBondContact O-N 3.38Å; Q154-S158 PolarHBondContact O-N 3.16Å; Q154-S158 PolarHBondContact O-OG 2.91Å; Q154-Q276 PolarHBondContact O-NE2 3.36Å
155	N	98.5	Very high	98	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.059	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-48.8	178	-67.8	-16.2	0	0	0	111.2	M123 K151 D152 F153 S158 V159 P555	M123-N155 HydrophobicContact CE-CB 4.42Å; K151-N155 WeakPolarHBondContact CE-OD1 3.33Å; K151-N155 PolarHBondContact NZ-OD1 3.15Å; K151-N155 PolarHBondContact O-N 3.12Å; K151-N155 PolarHBondContact O-ND2 3.29Å; K151-N155 PolarHBondContact O-OD1 3.15Å; D152-N155 WeakPolarHBondContact O-CB 3.31Å; D152-N155 PolarHBondContact O-N 2.88Å; D152-N155 VanDerWaalsContact O-N 3.14Å; F153-N155 PolarHBondContact O-N 3.41Å; N155-S158 PolarHBondContact O-N 2.82Å; N155-V159 WeakPolarHBondContact O-CG2 3.43Å; N155-V159 PolarHBondContact O-N 3.46Å; N155-P555 HydrophobicContact CB-CB 3.76Å; N155-P555 HydrophobicContact CB-CG 3.82Å
156	L	98.8	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-41.2	177.9	-67.4	175.6	0	0	0	111.4	M123 M132 F145 T147 D152 F153 S158 V159 Y160	M123-L156 HydrophobicContact CB-CD2 4.37Å; M123-L156 HydrophobicContact CE-CD2 3.83Å; M132-L156 HydrophobicContact CE-CD2 3.77Å; M132-L156 HydrophobicContact CG-CD1 4.35Å; M132-L156 HydrophobicContact CG-CD2 4.33Å; M132-L156 HydrophobicContact SD-CD1 4.27Å; M132-L156 HydrophobicContact SD-CD2 3.51Å; M132-L156 VanDerWaalsContact SD-CD2 3.51Å; F145-L156 HydrophobicContact CB-CD1 4.29Å; F145-L156 HydrophobicContact CD1-CB 3.96Å; F145-L156 HydrophobicContact CD2-CB 3.62Å; F145-L156 HydrophobicContact CD2-CD1 3.48Å; F145-L156 VanDerWaalsContact CD2-CD1 3.48Å; F145-L156 HydrophobicContact CD2-CG 4.21Å; F145-L156 HydrophobicContact CE1-CB 3.85Å; F145-L156 HydrophobicContact CE2-CB 3.53Å; F145-L156 HydrophobicContact CE2-CD1 4.03Å; F145-L156 HydrophobicContact CE2-CG 4.44Å; F145-L156 HydrophobicContact CG-CB 3.85Å; F145-L156 HydrophobicContact CG-CD1 3.99Å; F145-L156 HydrophobicContact CZ-CB 3.65Å; T147-L156 HydrophobicContact CG2-CD1 4.35Å; D152-L156 WeakPolarHBondContact O-CG 3.35Å; D152-L156 PolarHBondContact O-N 3.49Å; F153-L156 PolarHBondContact O-N 3.13Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 3.44Å; L156-V159 PolarHBondContact O-N 2.97Å; L156-Y160 WeakPolarHBondContact O-CB 3.39Å; L156-Y160 VanDerWaalsContact O-CD2 3.31Å; L156-Y160 WeakPolarHBondContact O-CD2 3.18Å; L156-Y160 PolarHBondContact O-N 3.1Å
157	L	98.8	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-45.4	176.4	-177.9	58.1	0	0	0	111.2	F85 F145 F153 Q154 V159 Y160 L161 Q276 I277	F85-L157 HydrophobicContact CD1-CD1 3.99Å; F85-L157 HydrophobicContact CD2-CD1 3.56Å; F85-L157 HydrophobicContact CE1-CD1 3.88Å; F85-L157 HydrophobicContact CE2-CD1 3.45Å; F85-L157 VanDerWaalsContact CE2-CD1 3.45Å; F85-L157 HydrophobicContact CG-CD1 3.82Å; F85-L157 HydrophobicContact CZ-CD1 3.6Å; F145-L157 HydrophobicContact CE1-CB 4.34Å; F145-L157 HydrophobicContact CZ-CB 3.89Å; F145-L157 VanDerWaalsContact CZ-N 3.31Å; F153-L157 HydrophobicContact CE1-CD2 4.29Å; F153-L157 WeakPolarHBondContact O-CB 3.47Å; F153-L157 PolarHBondContact O-N 3.46Å; Q154-L157 PolarHBondContact O-N 3.38Å; L157-V159 PolarHBondContact O-N 2.64Å; L157-Y160 PolarHBondContact O-N 2.79Å; L157-L161 HydrophobicContact CD1-CD1 3.83Å; L157-L161 HydrophobicContact CD1-CD2 4.41Å; L157-L161 HydrophobicContact CD1-CG 3.88Å; L157-L161 HydrophobicContact CG-CD1 3.81Å; L157-L161 HydrophobicContact CG-CG 4.31Å; L157-L161 WeakPolarHBondContact O-CB 3.13Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.41Å; L157-Q276 HydrophobicContact CD2-CB 4.05Å; L157-Q276 HydrophobicContact CD2-CG 4.15Å; L157-Q276 HydrophobicContact CG-CG 4.45Å; L157-I277 HydrophobicContact CD1-CD1 4.45Å; L157-I277 HydrophobicContact CD1-CG1 4.18Å; L157-I277 HydrophobicContact CD2-CG1 4.32Å
158	S	98.8	Very high	98.1	Very high	12 Å²	12	22.5 Å²	22.5	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-44.6	177.8	-69.7	0	0	0	0	112	Y114 Q154 N155 L156 D162 Q276 E280	Y114-S158 VanDerWaalsContact OH-CB 3.32Å; Y114-S158 WeakPolarHBondContact OH-CB 3.45Å; Q154-S158 PolarHBondContact O-N 3.16Å; Q154-S158 PolarHBondContact O-OG 2.91Å; N155-S158 PolarHBondContact O-N 2.82Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 3.44Å; S158-D162 WeakPolarHBondContact O-CB 3.21Å; S158-D162 PolarHBondContact O-N 2.9Å; S158-Q276 PolarHBondContact OG-NE2 2.97Å; S158-E280 VanDerWaalsContact CA-OE2 3.25Å; S158-E280 WeakPolarHBondContact CA-OE2 3.36Å; S158-E280 VanDerWaalsContact CB-OE2 3.27Å; S158-E280 WeakPolarHBondContact CB-OE2 3.47Å; S158-E280 VanDerWaalsContact OG-CD 3.27Å; S158-E280 PolarHBondContact OG-OE1 3.45Å; S158-E280 VanDerWaalsContact OG-OE1 3.05Å; S158-E280 PolarHBondContact OG-OE2 3.09Å
159	V	98.8	Very high	98.2	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-43.9	-178.5	174.8	0	0	0	0	110.8	Y114 P119 M123 N155 L156 L157 A163 P555	Y114-V159 HydrophobicContact CD2-CG2 4.14Å; Y114-V159 HydrophobicContact CE2-CB 4.41Å; Y114-V159 HydrophobicContact CE2-CG2 3.89Å; P119-V159 HydrophobicContact CB-CG1 4.16Å; M123-V159 HydrophobicContact CG-CB 4.49Å; M123-V159 HydrophobicContact CG-CG1 4.12Å; M123-V159 HydrophobicContact CG-CG2 4.08Å; M123-V159 HydrophobicContact SD-CG2 4.25Å; N155-V159 WeakPolarHBondContact O-CG2 3.43Å; N155-V159 PolarHBondContact O-N 3.46Å; L156-V159 PolarHBondContact O-N 2.97Å; L157-V159 PolarHBondContact O-N 2.64Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 2.62Å; V159-P555 HydrophobicContact CG2-CG 3.82Å
160	Y	98.8	Very high	98.4	Very high	2 Å²	2	20 Å²	20	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-44.3	178.6	-87.7	-116.1	0	0	0	111.9	F120 M132 N133 P144 F145 L156 L157 D162 A163 V164	F120-Y160 WeakPolarHBondContact CE2-OH 3.38Å; M132-Y160 HydrophobicContact CE-CE2 4.2Å; N133-Y160 PolarHBondContact N-OH 3.38Å; N133-Y160 PolarHBondContact O-OH 2.87Å; P144-Y160 PolarHBondContact O-OH 2.86Å; F145-Y160 HydrophobicContact CB-CE1 4.37Å; F145-Y160 HydrophobicContact CB-CE2 4.11Å; F145-Y160 AromaticContact CD1-CD1 3.92Å; F145-Y160 HydrophobicContact CD1-CD1 3.92Å; F145-Y160 AromaticContact CD1-CD2 3.68Å; F145-Y160 HydrophobicContact CD1-CD2 3.68Å; F145-Y160 HydrophobicContact CD1-CE1 4.09Å; F145-Y160 AromaticContact CD1-CE2 3.84Å; F145-Y160 HydrophobicContact CD1-CE2 3.84Å; F145-Y160 AromaticContact CD1-CG 3.72Å; F145-Y160 HydrophobicContact CD1-CG 3.72Å; F145-Y160 HydrophobicContact CE1-CD2 4.21Å; F145-Y160 HydrophobicContact CE1-CG 4.11Å; F145-Y160 HydrophobicContact CG-CE2 4.3Å; L156-Y160 WeakPolarHBondContact O-CB 3.39Å; L156-Y160 VanDerWaalsContact O-CD2 3.31Å; L156-Y160 WeakPolarHBondContact O-CD2 3.18Å; L156-Y160 PolarHBondContact O-N 3.1Å; L157-Y160 PolarHBondContact O-N 2.79Å; Y160-D162 PolarHBondContact O-N 3.17Å; Y160-A163 PolarHBondContact O-N 2.99Å; Y160-V164 WeakPolarHBondContact O-CG1 3.36Å; Y160-V164 WeakPolarHBondContact O-CG2 3.47Å; Y160-V164 PolarHBondContact O-N 3.17Å
161	L	98.9	Very high	98.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-47.1	177.4	-72.8	172.7	0	0	0	111.5	F85 L157 F165 F262 I277 E280 A281	F85-L161 HydrophobicContact CZ-CD2 4.18Å; L157-L161 HydrophobicContact CD1-CD1 3.83Å; L157-L161 HydrophobicContact CD1-CD2 4.41Å; L157-L161 HydrophobicContact CD1-CG 3.88Å; L157-L161 HydrophobicContact CG-CD1 3.81Å; L157-L161 HydrophobicContact CG-CG 4.31Å; L157-L161 WeakPolarHBondContact O-CB 3.13Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.41Å; L161-F165 HydrophobicContact CD2-CD2 4.22Å; L161-F165 HydrophobicContact CD2-CE2 3.9Å; L161-F165 WeakPolarHBondContact O-CB 3.08Å; L161-F165 VanDerWaalsContact O-CD2 3.3Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 PolarHBondContact O-N 2.68Å; L161-F262 HydrophobicContact CD2-CE1 3.95Å; L161-I277 HydrophobicContact CD1-CB 4.44Å; L161-I277 HydrophobicContact CD1-CG1 3.89Å; L161-I277 HydrophobicContact CD2-CG1 4.16Å; L161-E280 HydrophobicContact CD1-CB 4.5Å; L161-A281 HydrophobicContact CD2-CB 4.42Å
162	D	98.9	Very high	98.5	Very high	9 Å²	9	19.4 Å²	19.4	5%	0.048	10%	0.097	C	C	.	.	H	α-helix	trans	-69.4	-37.9	-178.7	-154	75.2	0	0	0	111.8	S111 E112 K113 Y114 S158 Y160 F166	S111-D162 VanDerWaalsContact CB-O 3.31Å; S111-D162 WeakPolarHBondContact CB-O 3.33Å; S111-D162 WeakPolarHBondContact CB-OD2 3.49Å; S111-D162 PolarHBondContact OG-OD2 3.12Å; E112-D162 PolarHBondContact N-OD2 3.23Å; K113-D162 WeakPolarHBondContact CA-OD2 3.28Å; K113-D162 HydrophobicContact CB-CB 4.34Å; K113-D162 WeakPolarHBondContact CB-OD1 3.3Å; K113-D162 WeakPolarHBondContact CB-OD2 3.46Å; K113-D162 PolarHBondContact N-OD2 2.92Å; Y114-D162 HydrophobicContact CD2-CB 3.95Å; Y114-D162 HydrophobicContact CE2-CB 4.03Å; S158-D162 WeakPolarHBondContact O-CB 3.21Å; S158-D162 PolarHBondContact O-N 2.9Å; Y160-D162 PolarHBondContact O-N 3.17Å; D162-F166 CarbonylContact O-C 3.39Å; D162-F166 WeakPolarHBondContact O-CA 3.44Å; D162-F166 PolarHBondContact O-N 3.47Å; D162-F166 WeakPolarHBondContact OD1-CD2 3.36Å
163	A	98.8	Very high	98.4	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-58.3	-52.3	174.3	0	0	0	0	0	111.8	V107 L108 V159 Y160 P167	V107-A163 WeakPolarHBondContact CB-O 3.38Å; V107-A163 WeakPolarHBondContact O-CB 3.43Å; L108-A163 HydrophobicContact CD2-CB 4.22Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 2.62Å; Y160-A163 PolarHBondContact O-N 2.99Å; A163-P167 VanDerWaalsContact O-CB 3.3Å; A163-P167 WeakPolarHBondContact O-CB 3.48Å; A163-P167 WeakPolarHBondContact O-CD 3.37Å
164	V	98.7	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-75.7	-36.9	-174	-56.6	0	0	0	0	112.9	V87 F89 Y143 Y160 H251 Y255	V87-V164 HydrophobicContact CG1-CG1 4.3Å; V87-V164 HydrophobicContact CG1-CG2 4.1Å; F89-V164 HydrophobicContact CE2-CB 3.77Å; F89-V164 HydrophobicContact CE2-CG1 4.16Å; F89-V164 HydrophobicContact CE2-CG2 3.94Å; F89-V164 HydrophobicContact CZ-CB 3.93Å; F89-V164 HydrophobicContact CZ-CG2 3.73Å; Y143-V164 HydrophobicContact CD1-CG1 3.88Å; Y143-V164 HydrophobicContact CD2-CG1 3.61Å; Y143-V164 HydrophobicContact CE1-CG1 4.06Å; Y143-V164 HydrophobicContact CE2-CG1 3.79Å; Y143-V164 HydrophobicContact CG-CG1 3.66Å; Y160-V164 WeakPolarHBondContact O-CG1 3.36Å; Y160-V164 WeakPolarHBondContact O-CG2 3.47Å; Y160-V164 PolarHBondContact O-N 3.17Å; V164-H251 PolarHBondContact O-NE2 3.35Å; V164-Y255 HydrophobicContact CB-CD1 4.2Å; V164-Y255 HydrophobicContact CB-CE1 4.41Å; V164-Y255 VanDerWaalsContact O-CD1 3.31Å; V164-Y255 WeakPolarHBondContact O-CD1 3.33Å
165	F	98.8	Very high	98.4	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.039	9%	0.089	C	C	.	.	H	α-helix	trans	-91.2	-32.1	-175.2	-70.5	-65.6	0	0	0	113.7	F89 L161 Y255 P257 A260 F262 A281 L282 F285	F89-F165 AromaticContact CE1-CE1 3.73Å; F89-F165 HydrophobicContact CE1-CE1 3.73Å; F89-F165 AromaticContact CE1-CZ 3.98Å; F89-F165 HydrophobicContact CE1-CZ 3.98Å; F89-F165 AromaticContact CZ-CE1 3.85Å; F89-F165 HydrophobicContact CZ-CE1 3.85Å; F89-F165 HydrophobicContact CZ-CE2 4.44Å; F89-F165 AromaticContact CZ-CZ 3.78Å; F89-F165 HydrophobicContact CZ-CZ 3.78Å; L161-F165 HydrophobicContact CD2-CD2 4.22Å; L161-F165 HydrophobicContact CD2-CE2 3.9Å; L161-F165 WeakPolarHBondContact O-CB 3.08Å; L161-F165 VanDerWaalsContact O-CD2 3.3Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 PolarHBondContact O-N 2.68Å; F165-Y255 WeakPolarHBondContact CD1-O 3.3Å; F165-Y255 WeakPolarHBondContact CE1-O 3.4Å; F165-P257 HydrophobicContact CE1-CB 4.01Å; F165-P257 HydrophobicContact CE1-CG 4.48Å; F165-P257 HydrophobicContact CZ-CB 4.38Å; F165-A260 HydrophobicContact CZ-CB 4.48Å; F165-F262 HydrophobicContact CE2-CE1 4.04Å; F165-F262 AromaticContact CE2-CZ 3.76Å; F165-F262 HydrophobicContact CE2-CZ 3.76Å; F165-F262 HydrophobicContact CZ-CE1 4.21Å; F165-F262 HydrophobicContact CZ-CE2 4.48Å; F165-F262 AromaticContact CZ-CZ 3.56Å; F165-F262 HydrophobicContact CZ-CZ 3.56Å; F165-A281 HydrophobicContact CD2-CB 3.67Å; F165-A281 HydrophobicContact CE2-CB 4.17Å; F165-A281 HydrophobicContact CG-CB 4.25Å; F165-L282 HydrophobicContact CZ-CD2 4.45Å; F165-F285 HydrophobicContact CB-CE2 4.45Å; F165-F285 HydrophobicContact CB-CZ 4.41Å; F165-F285 HydrophobicContact CD1-CE2 4.24Å; F165-F285 HydrophobicContact CD1-CZ 4.23Å
166	F	98.8	Very high	98.3	Very high	21 Å²	21	17.4 Å²	17.4	9%	0.092	9%	0.086	C	C	.	.	S	Bend	trans	-131.1	50	-174.6	-44.1	-67.4	0	0	0	112.7	S111 E112 D162 E280 A281 K284 F285	S111-F166 CarbonylContact C-O 3.55Å; S111-F166 VanDerWaalsContact CA-O 3.23Å; S111-F166 WeakPolarHBondContact CA-O 3.34Å; S111-F166 VanDerWaalsContact CB-O 3.25Å; S111-F166 WeakPolarHBondContact CB-O 3.41Å; E112-F166 HydrophobicContact CB-CB 4.08Å; E112-F166 HydrophobicContact CG-CB 3.9Å; E112-F166 PolarHBondContact N-O 3.42Å; D162-F166 CarbonylContact O-C 3.39Å; D162-F166 WeakPolarHBondContact O-CA 3.44Å; D162-F166 PolarHBondContact O-N 3.47Å; D162-F166 WeakPolarHBondContact OD1-CD2 3.36Å; F166-E280 WeakPolarHBondContact CE2-O 3.37Å; F166-A281 HydrophobicContact CE2-CB 4.17Å; F166-A281 HydrophobicContact CZ-CB 4.48Å; F166-K284 HydrophobicContact CE1-CD 3.89Å; F166-K284 HydrophobicContact CE2-CD 4.26Å; F166-K284 VanDerWaalsContact CE2-NZ 3.28Å; F166-K284 HydrophobicContact CZ-CB 4.41Å; F166-K284 HydrophobicContact CZ-CD 3.55Å; F166-K284 HydrophobicContact CZ-CG 4.35Å; F166-F285 AromaticContact CE1-CE2 3.72Å; F166-F285 HydrophobicContact CE1-CE2 3.72Å; F166-F285 AromaticContact CE1-CZ 3.64Å; F166-F285 HydrophobicContact CE1-CZ 3.64Å; F166-F285 AromaticContact CZ-CE2 3.63Å; F166-F285 HydrophobicContact CZ-CE2 3.63Å; F166-F285 HydrophobicContact CZ-CZ 4.03Å
167	P	98.8	Very high	98.3	Very high	18 Å²	18	17.6 Å²	17.6	12%	0.117	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-68	148.6	179.4	29.6	-35	0	0	0	111.8	V107 A163 L169 H251	V107-P167 HydrophobicContact CB-CB 4.02Å; V107-P167 HydrophobicContact CG1-CB 3.9Å; V107-P167 HydrophobicContact CG1-CG 3.92Å; A163-P167 VanDerWaalsContact O-CB 3.3Å; A163-P167 WeakPolarHBondContact O-CB 3.48Å; A163-P167 WeakPolarHBondContact O-CD 3.37Å; P167-L169 VanDerWaalsContact C-N 3.34Å; P167-L169 HydrophobicContact CB-CD2 3.8Å; P167-L169 HydrophobicContact CB-CG 3.84Å; P167-L169 HydrophobicContact CG-CD1 4.06Å; P167-L169 HydrophobicContact CG-CD2 3.92Å; P167-L169 HydrophobicContact CG-CG 3.73Å; P167-H251 WeakPolarHBondContact CD-NE2 3.28Å; P167-H251 VanDerWaalsContact CG-NE2 3.32Å; P167-H251 WeakPolarHBondContact CG-NE2 3.36Å
168	C	98.5	Very high	98.2	Very high	47 Å²	47	17.6 Å²	17.6	32%	0.318	9%	0.087	S	C	.	.			trans	-68.8	-33.2	173.4	-66.5	0	0	0	0	112.7	G110 S111 R170	G110-C168 VanDerWaalsContact C-SG 3.58Å; G110-C168 PolarHBondContact O-N 3.44Å; S111-C168 VanDerWaalsContact C-SG 3.56Å; S111-C168 PolarHBondContact N-SG 2.88Å; S111-C168 PolarHBondContact O-SG 2.92Å; C168-R170 VanDerWaalsContact C-N 3.33Å; C168-R170 HydrophobicContact CB-CG 3.96Å; C168-R170 PolarHBondContact O-N 3.29Å
169	L	98.4	Very high	98.2	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.063	9%	0.089	C	C	.	.			trans	44.6	52.3	-175.3	-57	-179.9	0	0	0	112.8	L103 T106 V107 P167 W244 K248 H251	L103-L169 HydrophobicContact CD1-CD1 4.4Å; L103-L169 HydrophobicContact CD1-CD2 3.63Å; T106-L169 HydrophobicContact CG2-CD2 3.9Å; V107-L169 HydrophobicContact CG1-CD2 4.13Å; P167-L169 VanDerWaalsContact C-N 3.34Å; P167-L169 HydrophobicContact CB-CD2 3.8Å; P167-L169 HydrophobicContact CB-CG 3.84Å; P167-L169 HydrophobicContact CG-CD1 4.06Å; P167-L169 HydrophobicContact CG-CD2 3.92Å; P167-L169 HydrophobicContact CG-CG 3.73Å; L169-W244 WeakPolarHBondContact O-CZ2 3.36Å; L169-W244 PolarHBondContact O-NE1 2.89Å; L169-K248 HydrophobicContact CB-CG 4.26Å; L169-K248 HydrophobicContact CD1-CG 4.06Å; L169-H251 HydrophobicContact CD1-CB 3.88Å
170	R	98.3	Very high	98.1	Very high	57 Å²	57	18.5 Å²	18.5	22%	0.215	9%	0.088	C	C	.	.			trans	-70.1	143.9	-178.7	-65.3	170.8	-69.6	-122.9	1.1	110.4	C109 P115 C168 Q172 D173 F174	C109-R170 PolarHBondContact O-NH2 2.99Å; P115-R170 PolarHBondContact O-NH1 3.03Å; C168-R170 VanDerWaalsContact C-N 3.33Å; C168-R170 HydrophobicContact CB-CG 3.96Å; C168-R170 PolarHBondContact O-N 3.29Å; R170-Q172 VanDerWaalsContact C-N 3.27Å; R170-Q172 HydrophobicContact CB-CG 4.16Å; R170-Q172 PolarHBondContact O-N 2.75Å; R170-D173 HydrophobicContact CB-CB 4.46Å; R170-D173 IonicContact CZ-OD2 3.61Å; R170-D173 IonicContact NE-OD1 3.68Å; R170-D173 IonicContact NE-OD2 2.69Å; R170-D173 PolarHBondContact NE-OD2 2.61Å; R170-D173 IonicContact NH2-OD1 3.62Å; R170-D173 IonicContact NH2-OD2 3.59Å; R170-D173 PolarHBondContact NH2-OD2 2.87Å; R170-D173 PolarHBondContact O-N 3.35Å; R170-F174 PolarHBondContact O-N 3.4Å; R170-F174 VanDerWaalsContact O-N 3.12Å
171	E	97.8	Very high	98.1	Very high	61 Å²	61	19.2 Å²	19.2	29%	0.285	9%	0.092	S	C	.	.	H	α-helix	trans	-56.4	-41.4	179.5	-169.9	-177.1	-176.1	0	0	112	D173 F174 W175 W244 K537	E171-D173 VanDerWaalsContact C-N 3.31Å; E171-D173 PolarHBondContact O-N 2.9Å; E171-F174 WeakPolarHBondContact O-CB 3.48Å; E171-F174 PolarHBondContact O-N 3.17Å; E171-W175 PolarHBondContact O-N 2.98Å; E171-W244 HydrophobicContact CB-CD2 3.97Å; E171-W244 HydrophobicContact CB-CE3 4.25Å; E171-W244 HydrophobicContact CB-CG 4.33Å; E171-W244 HydrophobicContact CB-CZ2 4.43Å; E171-W244 HydrophobicContact CG-CD2 4.18Å; E171-W244 HydrophobicContact CG-CE3 4.33Å; E171-W244 HydrophobicContact CG-CG 4.26Å; E171-K537 VanDerWaalsContact CD-NZ 3.26Å; E171-K537 IonicContact OE1-NZ 3.48Å; E171-K537 PolarHBondContact OE1-NZ 3.47Å; E171-K537 WeakPolarHBondContact OE2-CE 3.42Å; E171-K537 IonicContact OE2-NZ 2.69Å; E171-K537 PolarHBondContact OE2-NZ 2.95Å
172	Q	96.1	Very high	97.9	Very high	66 Å²	66	19.6 Å²	19.6	31%	0.308	9%	0.094	S	C	.	.	H	α-helix	trans	-64.2	-31.4	177.6	72.3	-173.4	-0.4	0	0	113.7	R170 W175 Q176 L541	R170-Q172 VanDerWaalsContact C-N 3.27Å; R170-Q172 HydrophobicContact CB-CG 4.16Å; R170-Q172 PolarHBondContact O-N 2.75Å; Q172-W175 PolarHBondContact O-N 2.72Å; Q172-Q176 PolarHBondContact O-N 3.28Å; Q172-Q176 VanDerWaalsContact O-N 3.1Å; Q172-L541 HydrophobicContact CB-CD1 4.25Å
173	D	97.2	Very high	97.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-76.3	-39.8	179.1	-62.8	-18.5	0	0	0	109.4	T106 C109 R170 E171 W175 Q176 E177	T106-D173 HydrophobicContact CG2-CB 4.25Å; C109-D173 HydrophobicContact CB-CB 3.71Å; C109-D173 WeakPolarHBondContact CB-OD2 3.41Å; R170-D173 HydrophobicContact CB-CB 4.46Å; R170-D173 IonicContact CZ-OD2 3.61Å; R170-D173 IonicContact NE-OD1 3.68Å; R170-D173 IonicContact NE-OD2 2.69Å; R170-D173 PolarHBondContact NE-OD2 2.61Å; R170-D173 IonicContact NH2-OD1 3.62Å; R170-D173 IonicContact NH2-OD2 3.59Å; R170-D173 PolarHBondContact NH2-OD2 2.87Å; R170-D173 PolarHBondContact O-N 3.35Å; E171-D173 VanDerWaalsContact C-N 3.31Å; E171-D173 PolarHBondContact O-N 2.9Å; D173-W175 VanDerWaalsContact C-N 3.31Å; D173-W175 PolarHBondContact O-N 3.24Å; D173-Q176 PolarHBondContact O-N 3.47Å; D173-E177 PolarHBondContact O-N 3.41Å
174	F	98.4	Very high	97.3	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-41.9	169.1	163.8	-112.7	0	0	0	112	I102 R170 E171 Q176 G178 W179 L242 W244 L247	I102-F174 HydrophobicContact CG2-CD2 3.8Å; I102-F174 HydrophobicContact CG2-CE2 4.02Å; R170-F174 PolarHBondContact O-N 3.4Å; R170-F174 VanDerWaalsContact O-N 3.12Å; E171-F174 WeakPolarHBondContact O-CB 3.48Å; E171-F174 PolarHBondContact O-N 3.17Å; F174-Q176 VanDerWaalsContact C-N 3.33Å; F174-Q176 PolarHBondContact O-N 3.05Å; F174-G178 VanDerWaalsContact O-CA 3.31Å; F174-G178 WeakPolarHBondContact O-CA 3.11Å; F174-G178 PolarHBondContact O-N 2.92Å; F174-W179 AromaticContact CZ-NE1 3.74Å; F174-L242 HydrophobicContact CE2-CD2 3.87Å; F174-L242 HydrophobicContact CE2-CG 4.03Å; F174-L242 HydrophobicContact CZ-CB 4.48Å; F174-L242 HydrophobicContact CZ-CG 4.27Å; F174-W244 HydrophobicContact CD1-CB 3.9Å; F174-W244 HydrophobicContact CD1-CG 4.43Å; F174-W244 HydrophobicContact CE1-CB 4.16Å; F174-L247 HydrophobicContact CB-CD2 4.03Å; F174-L247 HydrophobicContact CD2-CD2 3.84Å; F174-L247 HydrophobicContact CG-CD2 4.16Å
175	W	97.9	Very high	97	Very high	32 Å²	32	28.8 Å²	28.8	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-34.1	176	-82.4	30.1	0	0	0	113.5	E171 Q172 D173 R180 K537 L541	E171-W175 PolarHBondContact O-N 2.98Å; Q172-W175 PolarHBondContact O-N 2.72Å; D173-W175 VanDerWaalsContact C-N 3.31Å; D173-W175 PolarHBondContact O-N 3.24Å; W175-R180 HydrophobicContact CB-CB 3.96Å; W175-R180 HydrophobicContact CD2-CB 3.91Å; W175-R180 HydrophobicContact CE3-CB 3.99Å; W175-R180 HydrophobicContact CG-CB 3.91Å; W175-R180 WeakPolarHBondContact O-CD 3.32Å; W175-R180 PolarHBondContact O-NH1 2.83Å; W175-K537 HydrophobicContact CE3-CB 4.2Å; W175-K537 HydrophobicContact CH2-CB 3.38Å; W175-K537 HydrophobicContact CH2-CD 3.38Å; W175-K537 HydrophobicContact CH2-CG 4Å; W175-K537 HydrophobicContact CZ2-CB 4.31Å; W175-K537 HydrophobicContact CZ2-CD 3.55Å; W175-K537 HydrophobicContact CZ3-CB 3.31Å; W175-K537 HydrophobicContact CZ3-CD 4.16Å; W175-K537 HydrophobicContact CZ3-CG 4.36Å; W175-L541 HydrophobicContact CB-CD2 4.32Å
176	Q	96.6	Very high	96.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-72.5	-57.6	175.1	178.8	174	-80.4	0	0	111.1	R117 Q172 D173 F174 V198 L541	R117-Q176 VanDerWaalsContact NH2-CD 3.32Å; Q172-Q176 PolarHBondContact O-N 3.28Å; Q172-Q176 VanDerWaalsContact O-N 3.1Å; D173-Q176 PolarHBondContact O-N 3.47Å; F174-Q176 VanDerWaalsContact C-N 3.33Å; F174-Q176 PolarHBondContact O-N 3.05Å; Q176-V198 PolarHBondContact O-N 2.81Å; Q176-V198 VanDerWaalsContact O-N 3.07Å; Q176-L541 HydrophobicContact CB-CD1 4.42Å
177	E	97.8	Very high	96.3	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-79.7	-36.6	-168.9	-64.8	-55.9	122.8	0	0	112.5	H105 D173 V198 V199 R888	H105-E177 HydrophobicContact CB-CB 3.73Å; H105-E177 HydrophobicContact CB-CG 3.94Å; H105-E177 IonicContact CE1-OE2 3.96Å; H105-E177 IonicContact CG-OE2 3.26Å; H105-E177 IonicContact ND1-OE2 2.85Å; H105-E177 PolarHBondContact ND1-OE2 2.92Å; D173-E177 PolarHBondContact O-N 3.41Å; E177-V198 PolarHBondContact O-N 3.2Å; E177-V199 WeakPolarHBondContact O-CB 3.36Å; E177-V199 VanDerWaalsContact O-CG2 3.31Å; E177-V199 WeakPolarHBondContact O-CG2 3.29Å; E177-V199 PolarHBondContact O-N 3.01Å; E177-R888 IonicContact OE2-NH2 2.69Å; E177-R888 PolarHBondContact OE2-NH2 2.91Å
178	G	98.2	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-95.8	179.7	0	0	0	0	0	112.5	F174 G197	F174-G178 VanDerWaalsContact O-CA 3.31Å; F174-G178 WeakPolarHBondContact O-CA 3.11Å; F174-G178 PolarHBondContact O-N 2.92Å; G178-G197 VanDerWaalsContact O-CA 3.32Å; G178-G197 WeakPolarHBondContact O-CA 3.38Å
179	W	98.2	Very high	95.8	Very high	34 Å²	34	36.2 Å²	36.2	13%	0.129	18%	0.184	C	C	.	.			trans	-153	157.7	178	76.7	-82.6	0	0	0	111.5	F174 L181 F195 K196 I239 P240 L242 K522	F174-W179 AromaticContact CZ-NE1 3.74Å; W179-L181 HydrophobicContact CZ3-CG 4.33Å; W179-F195 AromaticContact CE3-CD1 3.97Å; W179-F195 HydrophobicContact CE3-CD1 3.97Å; W179-F195 HydrophobicContact CE3-CE1 4.01Å; W179-F195 HydrophobicContact CZ3-CD1 4.22Å; W179-F195 AromaticContact CZ3-CE1 3.87Å; W179-F195 HydrophobicContact CZ3-CE1 3.87Å; W179-K196 CarbonylContact C-O 3.56Å; W179-K196 VanDerWaalsContact CA-O 3.22Å; W179-K196 WeakPolarHBondContact CA-O 3.46Å; W179-I239 HydrophobicContact CB-CG2 3.74Å; W179-I239 HydrophobicContact CG-CG2 3.95Å; W179-I239 PolarHBondContact NE1-O 3.08Å; W179-I239 VanDerWaalsContact NE1-O 3.1Å; W179-P240 HydrophobicContact CD2-CB 4.1Å; W179-P240 VanDerWaalsContact CE2-CA 3.44Å; W179-P240 HydrophobicContact CE3-CB 3.97Å; W179-P240 HydrophobicContact CH2-CB 4.4Å; W179-P240 WeakPolarHBondContact CH2-O 3.45Å; W179-P240 WeakPolarHBondContact CZ2-O 3.47Å; W179-P240 HydrophobicContact CZ3-CB 4.12Å; W179-L242 PolarHBondContact NE1-O 3.47Å; W179-K522 HydrophobicContact CH2-CD 4Å; W179-K522 HydrophobicContact CZ3-CD 4.06Å
180	R	97.3	Very high	95.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	162.6	171.9	66.6	-174	-177.8	-78.7	2.2	111.8	W175 E182 F195 K196	W175-R180 HydrophobicContact CB-CB 3.96Å; W175-R180 HydrophobicContact CD2-CB 3.91Å; W175-R180 HydrophobicContact CE3-CB 3.99Å; W175-R180 HydrophobicContact CG-CB 3.91Å; W175-R180 WeakPolarHBondContact O-CD 3.32Å; W175-R180 PolarHBondContact O-NH1 2.83Å; R180-E182 HydrophobicContact CG-CB 4.44Å; R180-E182 IonicContact CZ-OE2 3.62Å; R180-E182 VanDerWaalsContact CZ-OE2 3.25Å; R180-E182 IonicContact NE-OE2 3.82Å; R180-E182 PolarHBondContact NE-OE2 3.43Å; R180-E182 IonicContact NH2-OE1 3.89Å; R180-E182 IonicContact NH2-OE2 2.63Å; R180-E182 PolarHBondContact NH2-OE2 3.41Å; R180-F195 WeakPolarHBondContact O-CA 3.22Å; R180-K196 HydrophobicContact CG-CB 4.29Å; R180-K196 PolarHBondContact N-O 2.91Å; R180-K196 PolarHBondContact O-N 3.45Å
181	L	97.4	Very high	95.4	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.6	158.5	-68	175.7	0	0	0	108.7	W179 V194 F195 L519 K522 L526 I534	W179-L181 HydrophobicContact CZ3-CG 4.33Å; L181-V194 WeakPolarHBondContact CA-O 3.29Å; L181-F195 HydrophobicContact CD2-CD1 3.84Å; L181-F195 HydrophobicContact CD2-CE1 3.71Å; L181-L519 HydrophobicContact CD2-CD1 3.47Å; L181-L519 VanDerWaalsContact CD2-CD1 3.47Å; L181-K522 HydrophobicContact CD1-CB 4.48Å; L181-L526 HydrophobicContact CD1-CD1 4.13Å; L181-I534 HydrophobicContact CB-CD1 4.49Å; L181-I534 HydrophobicContact CB-CG2 4.24Å; L181-I534 HydrophobicContact CD1-CD1 4.13Å; L181-I534 WeakPolarHBondContact O-CG2 3.24Å
182	E	95.6	Very high	95.3	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.7	175.8	-166.3	176	88.2	0	0	109.9	R180 E184 P186 L193 V194 K196	R180-E182 HydrophobicContact CG-CB 4.44Å; R180-E182 IonicContact CZ-OE2 3.62Å; R180-E182 VanDerWaalsContact CZ-OE2 3.25Å; R180-E182 IonicContact NE-OE2 3.82Å; R180-E182 PolarHBondContact NE-OE2 3.43Å; R180-E182 IonicContact NH2-OE1 3.89Å; R180-E182 IonicContact NH2-OE2 2.63Å; R180-E182 PolarHBondContact NH2-OE2 3.41Å; E182-E184 PolarHBondContact O-N 3.05Å; E182-P186 HydrophobicContact CG-CB 4.48Å; E182-P186 HydrophobicContact CG-CG 4.21Å; E182-L193 CarbonylContact O-C 3.48Å; E182-L193 WeakPolarHBondContact O-CA 3.32Å; E182-V194 PolarHBondContact N-O 2.97Å; E182-V194 WeakPolarHBondContact O-CG2 3.46Å; E182-V194 PolarHBondContact O-N 2.93Å; E182-K196 HydrophobicContact CB-CD 4.18Å; E182-K196 VanDerWaalsContact OE1-CD 3.22Å; E182-K196 WeakPolarHBondContact OE1-CD 3.4Å; E182-K196 WeakPolarHBondContact OE1-CE 3.49Å; E182-K196 IonicContact OE1-NZ 3.69Å; E182-K196 PolarHBondContact OE1-NZ 3.45Å
183	N	95.6	Very high	95.4	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.059	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	133.1	168	-73.6	102.1	0	0	0	109.4	D185 P189 S191 P192	N183-D185 WeakPolarHBondContact CB-O 3.44Å; N183-D185 CarbonylContact O-C 3.55Å; N183-D185 PolarHBondContact O-N 3.05Å; N183-D185 VanDerWaalsContact O-N 3.16Å; N183-P189 PolarHBondContact ND2-O 3.33Å; N183-S191 WeakPolarHBondContact CB-OG 3.43Å; N183-S191 PolarHBondContact ND2-O 3.48Å; N183-P192 CarbonylContact C-O 3.24Å; N183-P192 WeakPolarHBondContact CA-O 3.25Å
184	E	90.2	Very high	95.3	Very high	128 Å²	128	39.6 Å²	39.6	60%	0.598	23%	0.226	S	C	*	.	S	Bend	trans	-50.5	-43	-179.9	-174.2	-175.8	-177	0	0	111.4	E182 S191 P192	E182-E184 PolarHBondContact O-N 3.05Å; E184-S191 PolarHBondContact N-OG 3.4Å; E184-P192 PolarHBondContact N-O 3.32Å
185	D	90.5	Very high	95.2	Very high	67 Å²	67	40.2 Å²	40.2	36%	0.358	23%	0.229	S	C	.	.	S	Bend	trans	-101.7	106.1	160	175.1	-1.4	0	0	0	108.8	N183 T187 N188 S191	N183-D185 WeakPolarHBondContact CB-O 3.44Å; N183-D185 CarbonylContact O-C 3.55Å; N183-D185 PolarHBondContact O-N 3.05Å; N183-D185 VanDerWaalsContact O-N 3.16Å; D185-T187 PolarHBondContact O-N 3.21Å; D185-T187 PolarHBondContact OD1-N 3.38Å; D185-T187 PolarHBondContact OD1-OG1 2.98Å; D185-N188 HydrophobicContact CB-CB 3.94Å; D185-N188 PolarHBondContact O-N 2.96Å; D185-N188 WeakPolarHBondContact OD2-CB 3.31Å; D185-S191 PolarHBondContact N-OG 3.5Å; D185-S191 VanDerWaalsContact N-OG 3.11Å; D185-S191 PolarHBondContact O-OG 2.68Å; D185-S191 VanDerWaalsContact O-OG 3.11Å
186	P	91	Very high	95	Very high	25 Å²	25	40.6 Å²	40.6	16%	0.162	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.1	-177.5	-24.3	34.3	0	0	0	114.2	E182 Y535 L539 L542	E182-P186 HydrophobicContact CG-CB 4.48Å; E182-P186 HydrophobicContact CG-CG 4.21Å; P186-Y535 WeakPolarHBondContact O-CE2 3.43Å; P186-L539 VanDerWaalsContact O-CD2 3.26Å; P186-L539 WeakPolarHBondContact O-CD2 3.37Å; P186-L542 HydrophobicContact CB-CD2 4.15Å
187	T	93	Very high	95	Very high	85 Å²	85	40.6 Å²	40.6	52%	0.521	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.4	178.4	68.2	0	0	0	0	113.5	D185 Y535 L539 L542	D185-T187 PolarHBondContact O-N 3.21Å; D185-T187 PolarHBondContact OD1-N 3.38Å; D185-T187 PolarHBondContact OD1-OG1 2.98Å; T187-Y535 PolarHBondContact O-OH 3.26Å; T187-L539 HydrophobicContact CG2-CD2 4.45Å; T187-L542 HydrophobicContact CG2-CD2 4.12Å
188	N	94.4	Very high	94.8	Very high	63 Å²	63	40.4 Å²	40.4	34%	0.337	23%	0.231	S	C	.	.			trans	-125.1	104.1	179.6	180	4.7	0	0	0	110.6	D185 S190 S191	D185-N188 HydrophobicContact CB-CB 3.94Å; D185-N188 PolarHBondContact O-N 2.96Å; D185-N188 WeakPolarHBondContact OD2-CB 3.31Å; N188-S190 PolarHBondContact O-N 3.02Å; N188-S190 VanDerWaalsContact O-N 3.12Å; N188-S190 WeakPolarHBondContact OD1-CB 3.29Å; N188-S190 PolarHBondContact OD1-N 3Å; N188-S190 VanDerWaalsContact OD1-N 3.08Å; N188-S191 WeakPolarHBondContact O-CB 3.36Å; N188-S191 PolarHBondContact O-N 3.05Å; N188-S191 PolarHBondContact O-OG 2.8Å
189	P	93	Very high	94.8	Very high	77 Å²	77	40.4 Å²	40.4	50%	0.5	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.6	-177.4	28.5	-34.4	0	0	0	113.4	N183 Y535	N183-P189 PolarHBondContact ND2-O 3.33Å; P189-Y535 HydrophobicContact CB-CD1 4.2Å; P189-Y535 HydrophobicContact CB-CD2 3.71Å; P189-Y535 HydrophobicContact CB-CE1 4.24Å; P189-Y535 HydrophobicContact CB-CE2 3.75Å; P189-Y535 HydrophobicContact CB-CG 3.93Å; P189-Y535 HydrophobicContact CG-CE1 4.39Å; P189-Y535 HydrophobicContact CG-CE2 4.16Å
190	S	92.8	Very high	94.7	Very high	110 Å²	110	38.9 Å²	38.9	77%	0.769	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.9	176.4	-55.3	0	0	0	0	113	N188	N188-S190 PolarHBondContact O-N 3.02Å; N188-S190 VanDerWaalsContact O-N 3.12Å; N188-S190 WeakPolarHBondContact OD1-CB 3.29Å; N188-S190 PolarHBondContact OD1-N 3Å; N188-S190 VanDerWaalsContact OD1-N 3.08Å
191	S	95.6	Very high	94.4	Very high	16 Å²	16	39.1 Å²	39.1	11%	0.112	23%	0.226	C	C	.	.	S	Bend	trans	-72.3	151.4	174.8	69.6	0	0	0	0	110.6	N183 E184 D185 N188	N183-S191 WeakPolarHBondContact CB-OG 3.43Å; N183-S191 PolarHBondContact ND2-O 3.48Å; E184-S191 PolarHBondContact N-OG 3.4Å; D185-S191 PolarHBondContact N-OG 3.5Å; D185-S191 VanDerWaalsContact N-OG 3.11Å; D185-S191 PolarHBondContact O-OG 2.68Å; D185-S191 VanDerWaalsContact O-OG 3.11Å; N188-S191 WeakPolarHBondContact O-CB 3.36Å; N188-S191 PolarHBondContact O-N 3.05Å; N188-S191 PolarHBondContact O-OG 2.8Å
192	P	95.5	Very high	94.2	Very high	81 Å²	81	39.3 Å²	39.3	53%	0.526	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-58	147.1	-178.1	-23.3	34.4	0	0	0	112.4	N183 E184	N183-P192 CarbonylContact C-O 3.24Å; N183-P192 WeakPolarHBondContact CA-O 3.25Å; E184-P192 PolarHBondContact N-O 3.32Å
193	L	96.7	Very high	94.2	Very high	18 Å²	18	39.6 Å²	39.6	9%	0.094	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	136.9	169	-70.9	173.3	0	0	0	109.4	E182 I523 L526 I534	E182-L193 CarbonylContact O-C 3.48Å; E182-L193 WeakPolarHBondContact O-CA 3.32Å; L193-I523 HydrophobicContact CB-CD1 3.84Å; L193-I523 HydrophobicContact CB-CG1 4.24Å; L193-I523 HydrophobicContact CD1-CG1 4.24Å; L193-L526 HydrophobicContact CD1-CD1 3.82Å; L193-I534 HydrophobicContact CD2-CG2 3.96Å
194	V	96.3	Very high	94	Very high	44 Å²	44	41 Å²	41	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.6	178.5	-61.2	0	0	0	0	110.8	L181 E182 K196	L181-V194 WeakPolarHBondContact CA-O 3.29Å; E182-V194 PolarHBondContact N-O 2.97Å; E182-V194 WeakPolarHBondContact O-CG2 3.46Å; E182-V194 PolarHBondContact O-N 2.93Å; V194-K196 HydrophobicContact CG2-CG 4.24Å
195	F	96	Very high	93.8	Very high	19 Å²	19	35 Å²	35	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.8	167.7	-70	-53.7	0	0	0	111.3	W179 R180 L181 F200 P240 E515 K518 L519 K522	W179-F195 AromaticContact CE3-CD1 3.97Å; W179-F195 HydrophobicContact CE3-CD1 3.97Å; W179-F195 HydrophobicContact CE3-CE1 4.01Å; W179-F195 HydrophobicContact CZ3-CD1 4.22Å; W179-F195 AromaticContact CZ3-CE1 3.87Å; W179-F195 HydrophobicContact CZ3-CE1 3.87Å; R180-F195 WeakPolarHBondContact O-CA 3.22Å; L181-F195 HydrophobicContact CD2-CD1 3.84Å; L181-F195 HydrophobicContact CD2-CE1 3.71Å; F195-F200 HydrophobicContact CB-CE1 3.92Å; F195-F200 HydrophobicContact CB-CZ 3.9Å; F195-F200 HydrophobicContact CD2-CZ 4.36Å; F195-F200 HydrophobicContact CG-CZ 4.38Å; F195-P240 HydrophobicContact CD1-CB 4.48Å; F195-P240 HydrophobicContact CD1-CG 4.31Å; F195-P240 HydrophobicContact CE1-CB 3.79Å; F195-P240 HydrophobicContact CE1-CG 3.97Å; F195-P240 HydrophobicContact CE2-CG 4.37Å; F195-P240 HydrophobicContact CZ-CB 3.96Å; F195-P240 HydrophobicContact CZ-CG 4Å; F195-E515 HydrophobicContact CD2-CG 4.07Å; F195-E515 HydrophobicContact CE2-CG 4.42Å; F195-K518 HydrophobicContact CZ-CG 4.39Å; F195-L519 HydrophobicContact CD1-CD1 4.36Å; F195-L519 HydrophobicContact CD2-CB 4.16Å; F195-L519 HydrophobicContact CD2-CD1 4.11Å; F195-L519 HydrophobicContact CE1-CD1 4.21Å; F195-L519 HydrophobicContact CE2-CB 3.6Å; F195-L519 HydrophobicContact CE2-CD1 3.97Å; F195-L519 HydrophobicContact CE2-CG 4.35Å; F195-L519 HydrophobicContact CG-CD1 4.3Å; F195-L519 HydrophobicContact CZ-CB 4.13Å; F195-L519 HydrophobicContact CZ-CD1 4.01Å; F195-K522 HydrophobicContact CE1-CD 3.9Å; F195-K522 HydrophobicContact CZ-CD 4Å
196	K	94.2	Very high	93.7	Very high	40 Å²	40	32.3 Å²	32.3	17%	0.174	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.9	168.8	-69.9	-171.7	-175	176.3	0	110.7	W179 R180 E182 V194	W179-K196 CarbonylContact C-O 3.56Å; W179-K196 VanDerWaalsContact CA-O 3.22Å; W179-K196 WeakPolarHBondContact CA-O 3.46Å; R180-K196 HydrophobicContact CG-CB 4.29Å; R180-K196 PolarHBondContact N-O 2.91Å; R180-K196 PolarHBondContact O-N 3.45Å; E182-K196 HydrophobicContact CB-CD 4.18Å; E182-K196 VanDerWaalsContact OE1-CD 3.22Å; E182-K196 WeakPolarHBondContact OE1-CD 3.4Å; E182-K196 WeakPolarHBondContact OE1-CE 3.49Å; E182-K196 IonicContact OE1-NZ 3.69Å; E182-K196 PolarHBondContact OE1-NZ 3.45Å; V194-K196 HydrophobicContact CG2-CG 4.24Å
197	G	95.2	Very high	93.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.			trans	164.1	148	175.2	0	0	0	0	0	111.5	G178 N201	G178-G197 VanDerWaalsContact O-CA 3.32Å; G178-G197 WeakPolarHBondContact O-CA 3.38Å; G197-N201 PolarHBondContact O-N 3.41Å; G197-N201 PolarHBondContact O-ND2 3.12Å
198	V	94.5	Very high	93.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-56.6	-178.9	175.9	0	0	0	0	110.7	Q176 E177 F200 N201 E202 R888	Q176-V198 PolarHBondContact O-N 2.81Å; Q176-V198 VanDerWaalsContact O-N 3.07Å; E177-V198 PolarHBondContact O-N 3.2Å; V198-F200 VanDerWaalsContact C-N 3.29Å; V198-F200 PolarHBondContact O-N 3.3Å; V198-N201 PolarHBondContact O-N 2.9Å; V198-E202 WeakPolarHBondContact O-CB 3.43Å; V198-E202 PolarHBondContact O-N 2.65Å; V198-R888 HydrophobicContact CG2-CG 4.15Å
199	V	97.2	Very high	92.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-37	179.7	170.8	0	0	0	0	110.9	H101 I102 E177 N201 E202 M203 I239	H101-V199 WeakPolarHBondContact ND1-CG1 3.31Å; I102-V199 HydrophobicContact CD1-CG1 4.4Å; I102-V199 HydrophobicContact CG1-CB 3.97Å; I102-V199 HydrophobicContact CG1-CG1 3.77Å; I102-V199 HydrophobicContact CG1-CG2 4.14Å; E177-V199 WeakPolarHBondContact O-CB 3.36Å; E177-V199 VanDerWaalsContact O-CG2 3.31Å; E177-V199 WeakPolarHBondContact O-CG2 3.29Å; E177-V199 PolarHBondContact O-N 3.01Å; V199-N201 PolarHBondContact O-N 3.35Å; V199-E202 WeakPolarHBondContact O-CB 3.43Å; V199-E202 PolarHBondContact O-N 3.32Å; V199-M203 HydrophobicContact CG1-CG 4.1Å; V199-M203 WeakPolarHBondContact O-CB 3.38Å; V199-M203 WeakPolarHBondContact O-CG 3.18Å; V199-M203 PolarHBondContact O-N 3.15Å; V199-I239 HydrophobicContact CG1-CD1 4.27Å
200	F	96.4	Very high	92.8	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-54.6	-50.9	174.3	179.6	-100.4	0	0	0	112.3	F195 V198 K204 P236 I239 P240 E515	F195-F200 HydrophobicContact CB-CE1 3.92Å; F195-F200 HydrophobicContact CB-CZ 3.9Å; F195-F200 HydrophobicContact CD2-CZ 4.36Å; F195-F200 HydrophobicContact CG-CZ 4.38Å; V198-F200 VanDerWaalsContact C-N 3.29Å; V198-F200 PolarHBondContact O-N 3.3Å; F200-K204 HydrophobicContact CD1-CD 4.08Å; F200-K204 HydrophobicContact CE1-CD 3.54Å; F200-K204 HydrophobicContact CZ-CD 3.79Å; F200-K204 WeakPolarHBondContact O-CG 3.45Å; F200-K204 PolarHBondContact O-N 2.77Å; F200-K204 VanDerWaalsContact O-N 3.13Å; F200-P236 HydrophobicContact CE2-CB 4.29Å; F200-P236 WeakPolarHBondContact CE2-O 3.13Å; F200-I239 HydrophobicContact CB-CG2 4.39Å; F200-I239 HydrophobicContact CD2-CB 4.39Å; F200-I239 HydrophobicContact CD2-CG2 4.15Å; F200-P240 HydrophobicContact CE2-CG 4.29Å; F200-E515 HydrophobicContact CZ-CG 4.39Å
201	N	92.1	Very high	92.7	Very high	9 Å²	9	22 Å²	22	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-74.9	-30.9	179	-72.4	-41.1	0	0	0	113.1	G197 V198 V199 G205 G892	G197-N201 PolarHBondContact O-N 3.41Å; G197-N201 PolarHBondContact O-ND2 3.12Å; V198-N201 PolarHBondContact O-N 2.9Å; V199-N201 PolarHBondContact O-N 3.35Å; N201-G205 PolarHBondContact O-N 3.28Å; N201-G892 WeakPolarHBondContact CB-O 3.49Å; N201-G892 PolarHBondContact ND2-O 3.24Å
202	E	93.2	Very high	92.5	Very high	20 Å²	20	25.6 Å²	25.6	9%	0.093	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-48.7	172.6	-179.4	178.4	-178.7	0	0	111.5	H101 H105 V198 V199 G205 A206 Y894 R912	H101-E202 IonicContact CE1-OE1 3.17Å; H101-E202 IonicContact CE1-OE2 3.14Å; H101-E202 PolarHBondContact CE1-OE2 2.83Å; H101-E202 IonicContact NE2-OE1 2.83Å; H101-E202 IonicContact NE2-OE2 2.82Å; H101-E202 PolarHBondContact NE2-OE2 3.5Å; H105-E202 IonicContact CE1-OE2 2.69Å; H105-E202 IonicContact NE2-OE2 3.65Å; V198-E202 WeakPolarHBondContact O-CB 3.43Å; V198-E202 PolarHBondContact O-N 2.65Å; V199-E202 WeakPolarHBondContact O-CB 3.43Å; V199-E202 PolarHBondContact O-N 3.32Å; E202-G205 CarbonylContact O-C 3.52Å; E202-G205 PolarHBondContact O-N 2.64Å; E202-A206 WeakPolarHBondContact O-CB 3.36Å; E202-A206 PolarHBondContact O-N 2.9Å; E202-Y894 HydrophobicContact CB-CD2 3.74Å; E202-Y894 HydrophobicContact CB-CE2 4.27Å; E202-Y894 HydrophobicContact CB-CG 4.44Å; E202-Y894 VanDerWaalsContact CD-CD2 3.48Å; E202-Y894 HydrophobicContact CG-CD2 3.59Å; E202-Y894 HydrophobicContact CG-CE2 3.7Å; E202-Y894 HydrophobicContact CG-CG 4.28Å; E202-Y894 VanDerWaalsContact OE1-CE2 3.22Å; E202-Y894 WeakPolarHBondContact OE1-CE2 3.47Å; E202-Y894 PolarHBondContact OE1-OH 2.81Å; E202-Y894 WeakPolarHBondContact OE2-CD2 3.07Å; E202-Y894 WeakPolarHBondContact OE2-CE2 3.37Å; E202-R912 PolarHBondContact O-NH1 3.31Å
203	M	94.8	Very high	92.5	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-72.3	-34.2	-178.1	-65.5	-50.8	-61.7	0	0	112.2	V199 G205 A206 F207 V231 G233 G234 P236 I239	V199-M203 HydrophobicContact CG1-CG 4.1Å; V199-M203 WeakPolarHBondContact O-CB 3.38Å; V199-M203 WeakPolarHBondContact O-CG 3.18Å; V199-M203 PolarHBondContact O-N 3.15Å; M203-G205 VanDerWaalsContact C-N 3.29Å; M203-G205 PolarHBondContact O-N 2.96Å; M203-A206 HydrophobicContact CE-CB 4.36Å; M203-A206 PolarHBondContact O-N 3.06Å; M203-A206 HydrophobicContact SD-CB 4.39Å; M203-F207 HydrophobicContact CE-CD2 4.42Å; M203-F207 HydrophobicContact CE-CE2 3.66Å; M203-F207 HydrophobicContact CE-CZ 3.74Å; M203-F207 WeakPolarHBondContact O-CD2 3.2Å; M203-F207 PolarHBondContact O-N 2.86Å; M203-V231 HydrophobicContact CE-CG1 4.42Å; M203-G233 VanDerWaalsContact CG-O 3.28Å; M203-G233 WeakPolarHBondContact CG-O 3.19Å; M203-G234 WeakPolarHBondContact CB-O 3.43Å; M203-G234 WeakPolarHBondContact CE-O 2.96Å; M203-G234 WeakPolarHBondContact CG-O 3.44Å; M203-P236 HydrophobicContact CB-CG 4.12Å; M203-I239 HydrophobicContact CB-CD1 4.18Å; M203-I239 HydrophobicContact CG-CD1 4.14Å
204	K	90.9	Very high	92.4	Very high	39 Å²	39	21.3 Å²	21.3	17%	0.17	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-42.8	167.4	-74.3	-179.8	69.1	160	0	111.6	F200 S208 P236 E515 P850	F200-K204 HydrophobicContact CD1-CD 4.08Å; F200-K204 HydrophobicContact CE1-CD 3.54Å; F200-K204 HydrophobicContact CZ-CD 3.79Å; F200-K204 WeakPolarHBondContact O-CG 3.45Å; F200-K204 PolarHBondContact O-N 2.77Å; F200-K204 VanDerWaalsContact O-N 3.13Å; K204-S208 PolarHBondContact O-N 3.11Å; K204-P236 HydrophobicContact CG-CB 3.87Å; K204-P236 HydrophobicContact CG-CG 3.84Å; K204-E515 WeakPolarHBondContact CE-OE2 3.48Å; K204-E515 IonicContact NZ-OE1 3.95Å; K204-E515 PolarHBondContact NZ-OE1 2.71Å; K204-E515 IonicContact NZ-OE2 2.79Å; K204-E515 PolarHBondContact NZ-OE2 2.74Å; K204-P850 WeakPolarHBondContact O-CG 3.4Å
205	G	87.4	Confident	92.5	Very high	4 Å²	4	21 Å²	21	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-69.6	-37.5	174.2	0	0	0	0	0	113.1	N201 E202 M203 S208	N201-G205 PolarHBondContact O-N 3.28Å; E202-G205 CarbonylContact O-C 3.52Å; E202-G205 PolarHBondContact O-N 2.64Å; M203-G205 VanDerWaalsContact C-N 3.29Å; M203-G205 PolarHBondContact O-N 2.96Å; G205-S208 WeakPolarHBondContact O-CB 3.42Å; G205-S208 PolarHBondContact O-N 2.85Å; G205-S208 PolarHBondContact O-OG 2.89Å
206	A	88.4	Confident	92.6	Very high	10 Å²	10	21.7 Å²	21.7	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-42.2	179	0	0	0	0	0	112.1	E202 M203 S208 D209	E202-A206 WeakPolarHBondContact O-CB 3.36Å; E202-A206 PolarHBondContact O-N 2.9Å; M203-A206 HydrophobicContact CE-CB 4.36Å; M203-A206 PolarHBondContact O-N 3.06Å; M203-A206 HydrophobicContact SD-CB 4.39Å; A206-S208 VanDerWaalsContact C-N 3.3Å; A206-S208 PolarHBondContact O-N 2.91Å; A206-D209 WeakPolarHBondContact O-CB 3.09Å; A206-D209 PolarHBondContact O-N 2.85Å
207	F	89.3	Confident	92.7	Very high	16 Å²	16	22.1 Å²	22.1	7%	0.07	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.4	177.4	-65	-46.2	0	0	0	114.7	M203 L213 Q216 V231 P236	M203-F207 HydrophobicContact CE-CD2 4.42Å; M203-F207 HydrophobicContact CE-CE2 3.66Å; M203-F207 HydrophobicContact CE-CZ 3.74Å; M203-F207 WeakPolarHBondContact O-CD2 3.2Å; M203-F207 PolarHBondContact O-N 2.86Å; F207-L213 HydrophobicContact CD1-CB 4.37Å; F207-L213 HydrophobicContact CD1-CD1 4.09Å; F207-L213 HydrophobicContact CG-CD1 4.42Å; F207-Q216 HydrophobicContact CE1-CB 4.01Å; F207-Q216 HydrophobicContact CE1-CG 4.04Å; F207-Q216 HydrophobicContact CZ-CG 4.09Å; F207-V231 HydrophobicContact CE2-CG1 4.01Å; F207-V231 HydrophobicContact CZ-CG1 3.59Å; F207-P236 HydrophobicContact CD2-CG 4.31Å
208	S	83.9	Confident	92.9	Very high	20 Å²	20	22.5 Å²	22.5	14%	0.14	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.2	162.5	76.7	0	0	0	0	112.5	K204 G205 A206	K204-S208 PolarHBondContact O-N 3.11Å; G205-S208 WeakPolarHBondContact O-CB 3.42Å; G205-S208 PolarHBondContact O-N 2.85Å; G205-S208 PolarHBondContact O-OG 2.89Å; A206-S208 VanDerWaalsContact C-N 3.3Å; A206-S208 PolarHBondContact O-N 2.91Å
209	D	87.4	Confident	93.1	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	-87	109.8	169.4	-179	-3.9	0	0	0	109.9	A206 E211 R212 L213	A206-D209 WeakPolarHBondContact O-CB 3.09Å; A206-D209 PolarHBondContact O-N 2.85Å; D209-E211 PolarHBondContact O-N 2.88Å; D209-E211 WeakPolarHBondContact OD1-CB 3.46Å; D209-E211 PolarHBondContact OD1-N 2.94Å; D209-R212 HydrophobicContact CB-CB 4.23Å; D209-R212 HydrophobicContact CB-CG 4.25Å; D209-R212 PolarHBondContact O-N 2.8Å; D209-R212 VanDerWaalsContact O-N 3.16Å; D209-R212 IonicContact OD2-NE 3.72Å; D209-L213 PolarHBondContact O-N 3.34Å; D209-L213 VanDerWaalsContact O-N 3.07Å
210	S	89.9	Confident	93.2	Very high	36 Å²	36	24.4 Å²	24.4	25%	0.252	13%	0.126	S	C	.	.	H	α-helix	trans	-59	-30	178.4	-62.4	0	0	0	0	112.7	L213 Y214 M501	S210-L213 PolarHBondContact O-N 3.03Å; S210-Y214 WeakPolarHBondContact O-CB 3.37Å; S210-Y214 PolarHBondContact O-N 2.85Å; S210-M501 WeakPolarHBondContact O-CE 3.12Å
211	E	91.7	Very high	93.3	Very high	53 Å²	53	26.8 Å²	26.8	25%	0.248	14%	0.137	C	C	.	.	H	α-helix	trans	-68.7	-39.4	177.7	-69.3	-164.1	153.2	0	0	111.8	D209 Y214 A215 S373 Q391 N708	D209-E211 PolarHBondContact O-N 2.88Å; D209-E211 WeakPolarHBondContact OD1-CB 3.46Å; D209-E211 PolarHBondContact OD1-N 2.94Å; E211-Y214 PolarHBondContact O-N 2.87Å; E211-A215 WeakPolarHBondContact O-CB 3.2Å; E211-A215 PolarHBondContact O-N 3.27Å; E211-S373 VanDerWaalsContact CD-CB 3.45Å; E211-S373 PolarHBondContact O-OG 3.47Å; E211-Q391 PolarHBondContact OE1-NE2 3.38Å; E211-Q391 PolarHBondContact OE1-OE1 3.13Å; E211-N708 VanDerWaalsContact CD-ND2 3.31Å; E211-N708 PolarHBondContact OE1-ND2 2.81Å
212	R	92.2	Very high	93.6	Very high	92 Å²	92	26.4 Å²	26.4	35%	0.347	14%	0.135	S	C	.	.	H	α-helix	trans	-68.6	-41.9	174.6	-74.7	-176.4	179.3	151.8	6.8	112	D209 Y214 A215 Q216 D712	D209-R212 HydrophobicContact CB-CB 4.23Å; D209-R212 HydrophobicContact CB-CG 4.25Å; D209-R212 PolarHBondContact O-N 2.8Å; D209-R212 VanDerWaalsContact O-N 3.16Å; D209-R212 IonicContact OD2-NE 3.72Å; R212-Y214 VanDerWaalsContact C-N 3.3Å; R212-Y214 PolarHBondContact O-N 3.22Å; R212-A215 PolarHBondContact O-N 3.01Å; R212-Q216 WeakPolarHBondContact O-CB 3.45Å; R212-Q216 PolarHBondContact O-N 3.17Å; R212-D712 IonicContact CZ-OD1 2.74Å; R212-D712 IonicContact NH1-OD1 2.91Å; R212-D712 IonicContact NH2-OD1 3.62Å; R212-D712 PolarHBondContact NH2-OD1 3.42Å
213	L	93.9	Very high	93.8	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-45.1	174.9	-178	65.7	0	0	0	110.9	F207 D209 S210 Q216 H217 C310 F507	F207-L213 HydrophobicContact CD1-CB 4.37Å; F207-L213 HydrophobicContact CD1-CD1 4.09Å; F207-L213 HydrophobicContact CG-CD1 4.42Å; D209-L213 PolarHBondContact O-N 3.34Å; D209-L213 VanDerWaalsContact O-N 3.07Å; S210-L213 PolarHBondContact O-N 3.03Å; L213-Q216 PolarHBondContact O-N 3.34Å; L213-H217 PolarHBondContact O-CD2 3.45Å; L213-H217 VanDerWaalsContact O-CD2 3.28Å; L213-H217 PolarHBondContact O-N 3.12Å; L213-H217 VanDerWaalsContact O-N 3.09Å; L213-C310 HydrophobicContact CD2-CB 4.17Å; L213-F507 HydrophobicContact CD2-CE1 4.46Å; L213-F507 HydrophobicContact CD2-CE2 4.21Å; L213-F507 HydrophobicContact CD2-CZ 3.63Å
214	Y	96.3	Very high	94	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-50.9	176.3	-170.7	-88.9	0	0	0	112.1	S210 E211 R212 Q216 H217 L218 T324 C326 V374 L499 M501	S210-Y214 WeakPolarHBondContact O-CB 3.37Å; S210-Y214 PolarHBondContact O-N 2.85Å; E211-Y214 PolarHBondContact O-N 2.87Å; R212-Y214 VanDerWaalsContact C-N 3.3Å; R212-Y214 PolarHBondContact O-N 3.22Å; Y214-Q216 VanDerWaalsContact C-N 3.31Å; Y214-Q216 PolarHBondContact O-N 3.34Å; Y214-H217 PolarHBondContact O-N 3.42Å; Y214-L218 HydrophobicContact CD1-CD1 4.39Å; Y214-L218 HydrophobicContact CE1-CD1 3.69Å; Y214-L218 WeakPolarHBondContact O-CB 3.46Å; Y214-L218 PolarHBondContact O-N 3.49Å; Y214-T324 HydrophobicContact CD2-CG2 3.97Å; Y214-T324 HydrophobicContact CE1-CG2 4.38Å; Y214-T324 HydrophobicContact CE2-CG2 3.75Å; Y214-T324 HydrophobicContact CG-CG2 4.38Å; Y214-C326 HydrophobicContact CE1-CB 4.17Å; Y214-C326 VanDerWaalsContact CE1-SG 3.56Å; Y214-C326 WeakPolarHBondContact OH-CB 3.37Å; Y214-C326 PolarHBondContact OH-N 3.41Å; Y214-C326 PolarHBondContact OH-SG 3.07Å; Y214-V374 HydrophobicContact CD1-CG1 4.15Å; Y214-V374 HydrophobicContact CD1-CG2 4.14Å; Y214-V374 HydrophobicContact CE1-CG2 3.8Å; Y214-L499 HydrophobicContact CD2-CD2 4.27Å; Y214-L499 HydrophobicContact CE1-CD2 4.23Å; Y214-L499 HydrophobicContact CE2-CD2 3.86Å; Y214-L499 HydrophobicContact CE2-CG 3.87Å; Y214-L499 PolarHBondContact OH-O 3.38Å; Y214-M501 HydrophobicContact CD2-CB 3.54Å; Y214-M501 HydrophobicContact CD2-CE 3.87Å; Y214-M501 HydrophobicContact CD2-CG 4.32Å; Y214-M501 HydrophobicContact CD2-SD 3.83Å; Y214-M501 HydrophobicContact CE2-CB 3.81Å; Y214-M501 HydrophobicContact CG-CE 4.28Å; Y214-M501 HydrophobicContact CG-SD 4.41Å
215	A	97.2	Very high	94.3	Very high	37 Å²	37	29.1 Å²	29.1	31%	0.306	15%	0.154	S	C	.	.	H	α-helix	trans	-59.2	-42	-179.5	0	0	0	0	0	112.2	E211 R212 L218 Q219 V374	E211-A215 WeakPolarHBondContact O-CB 3.2Å; E211-A215 PolarHBondContact O-N 3.27Å; R212-A215 PolarHBondContact O-N 3.01Å; A215-L218 PolarHBondContact O-N 2.93Å; A215-Q219 PolarHBondContact O-N 3.1Å; A215-V374 HydrophobicContact CB-CG1 3.58Å
216	Q	97.6	Very high	94.8	Very high	34 Å²	34	30.1 Å²	30.1	16%	0.159	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-49.8	177.5	-174.9	59.2	69.4	0	0	111.7	F207 R212 L213 Y214 L218 Q219 N220 V230 V231	F207-Q216 HydrophobicContact CE1-CB 4.01Å; F207-Q216 HydrophobicContact CE1-CG 4.04Å; F207-Q216 HydrophobicContact CZ-CG 4.09Å; R212-Q216 WeakPolarHBondContact O-CB 3.45Å; R212-Q216 PolarHBondContact O-N 3.17Å; L213-Q216 PolarHBondContact O-N 3.34Å; Y214-Q216 VanDerWaalsContact C-N 3.31Å; Y214-Q216 PolarHBondContact O-N 3.34Å; Q216-L218 VanDerWaalsContact C-N 3.3Å; Q216-L218 PolarHBondContact O-N 3.3Å; Q216-Q219 PolarHBondContact O-N 2.67Å; Q216-N220 PolarHBondContact NE2-ND2 3.14Å; Q216-N220 PolarHBondContact NE2-OD1 3.32Å; Q216-N220 PolarHBondContact O-N 2.98Å; Q216-N220 PolarHBondContact O-OD1 3.21Å; Q216-V230 PolarHBondContact NE2-O 3.23Å; Q216-V231 HydrophobicContact CG-CG1 4.22Å; Q216-V231 HydrophobicContact CG-CG2 3.81Å
217	H	97.9	Very high	95.3	Very high	49 Å²	49	29.7 Å²	29.7	23%	0.227	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-36	177.7	-78.5	-52.5	0	0	0	113	L213 Y214 N220 K221 V308 L499	L213-H217 PolarHBondContact O-CD2 3.45Å; L213-H217 VanDerWaalsContact O-CD2 3.28Å; L213-H217 PolarHBondContact O-N 3.12Å; L213-H217 VanDerWaalsContact O-N 3.09Å; Y214-H217 PolarHBondContact O-N 3.42Å; H217-N220 PolarHBondContact O-N 3.22Å; H217-K221 WeakPolarHBondContact O-CB 3.03Å; H217-K221 VanDerWaalsContact O-CG 3.3Å; H217-K221 WeakPolarHBondContact O-CG 3.19Å; H217-K221 PolarHBondContact O-N 3Å; H217-V308 HydrophobicContact CB-CG1 4.2Å; H217-L499 HydrophobicContact CB-CD2 4.22Å
218	L	98.6	Very high	95.7	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-49.9	175.9	-175.8	151.7	0	0	0	111.3	Y214 A215 Q216 N220 K221 L222 C326 S328 V374 L499	Y214-L218 HydrophobicContact CD1-CD1 4.39Å; Y214-L218 HydrophobicContact CE1-CD1 3.69Å; Y214-L218 WeakPolarHBondContact O-CB 3.46Å; Y214-L218 PolarHBondContact O-N 3.49Å; A215-L218 PolarHBondContact O-N 2.93Å; Q216-L218 VanDerWaalsContact C-N 3.3Å; Q216-L218 PolarHBondContact O-N 3.3Å; L218-N220 PolarHBondContact O-N 3.15Å; L218-K221 PolarHBondContact O-N 3.02Å; L218-L222 HydrophobicContact CD2-CD2 4.46Å; L218-L222 WeakPolarHBondContact O-CB 3.39Å; L218-L222 PolarHBondContact O-N 3.33Å; L218-C326 HydrophobicContact CD1-CB 4.38Å; L218-S328 VanDerWaalsContact CD1-OG 3.28Å; L218-S328 WeakPolarHBondContact CD1-OG 3.38Å; L218-V374 HydrophobicContact CD1-CB 4.19Å; L218-V374 HydrophobicContact CD1-CG1 4.26Å; L218-V374 HydrophobicContact CD1-CG2 3.68Å; L218-L499 HydrophobicContact CB-CD2 3.8Å
219	Q	98.5	Very high	96.4	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.093	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-49.5	174.9	-176.3	179.6	93.2	0	0	110.4	S138 A215 Q216 K221 L222 Y223 T381	S138-Q219 PolarHBondContact OG-NE2 2.73Å; S138-Q219 VanDerWaalsContact OG-NE2 3.11Å; S138-Q219 PolarHBondContact OG-OE1 2.81Å; A215-Q219 PolarHBondContact O-N 3.1Å; Q216-Q219 PolarHBondContact O-N 2.67Å; Q219-K221 VanDerWaalsContact C-N 3.29Å; Q219-K221 PolarHBondContact O-N 2.74Å; Q219-L222 PolarHBondContact O-N 2.88Å; Q219-Y223 HydrophobicContact CG-CD2 4.13Å; Q219-Y223 WeakPolarHBondContact O-CD2 3.42Å; Q219-Y223 PolarHBondContact O-N 3.04Å; Q219-T381 HydrophobicContact CG-CG2 4.45Å
220	N	98.5	Very high	97	Very high	21 Å²	21	30.1 Å²	30.1	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-37.1	-176.4	-62.4	145.3	0	0	0	113.8	Q216 H217 L218 Y228 S229 V230	Q216-N220 PolarHBondContact NE2-ND2 3.14Å; Q216-N220 PolarHBondContact NE2-OD1 3.32Å; Q216-N220 PolarHBondContact O-N 2.98Å; Q216-N220 PolarHBondContact O-OD1 3.21Å; H217-N220 PolarHBondContact O-N 3.22Å; L218-N220 PolarHBondContact O-N 3.15Å; N220-Y228 VanDerWaalsContact CA-O 3.31Å; N220-Y228 WeakPolarHBondContact CA-O 3.39Å; N220-Y228 PolarHBondContact ND2-O 2.86Å; N220-S229 PolarHBondContact ND2-O 3Å; N220-V230 VanDerWaalsContact ND2-C 3.3Å; N220-V230 PolarHBondContact ND2-N 2.97Å; N220-V230 VanDerWaalsContact ND2-N 3.2Å; N220-V230 PolarHBondContact ND2-O 3.04Å
221	K	98.5	Very high	97.4	Very high	53 Å²	53	28.6 Å²	28.6	23%	0.23	15%	0.148	C	C	.	.	H	α-helix	trans	-85.1	-27.6	-178.2	-68.5	169.1	-175.6	-83.6	0	112.7	H217 L218 Q219 W300 D306 L497 L499	H217-K221 WeakPolarHBondContact O-CB 3.03Å; H217-K221 VanDerWaalsContact O-CG 3.3Å; H217-K221 WeakPolarHBondContact O-CG 3.19Å; H217-K221 PolarHBondContact O-N 3Å; L218-K221 PolarHBondContact O-N 3.02Å; Q219-K221 VanDerWaalsContact C-N 3.29Å; Q219-K221 PolarHBondContact O-N 2.74Å; K221-W300 WeakPolarHBondContact O-CH2 3.49Å; K221-W300 VanDerWaalsContact O-CZ2 3.31Å; K221-W300 WeakPolarHBondContact O-CZ2 3.32Å; K221-D306 HydrophobicContact CD-CB 3.91Å; K221-D306 WeakPolarHBondContact CD-OD2 3.48Å; K221-D306 IonicContact NZ-OD1 3.7Å; K221-D306 PolarHBondContact NZ-OD1 3.26Å; K221-D306 IonicContact NZ-OD2 3.35Å; K221-D306 PolarHBondContact NZ-OD2 2.89Å; K221-L497 HydrophobicContact CB-CD1 4.38Å; K221-L497 HydrophobicContact CB-CD2 3.64Å; K221-L499 HydrophobicContact CD-CD1 3.93Å
222	L	98.6	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-76.8	-31.8	177.1	-173.4	62.2	0	0	0	112.2	L218 Q219 P224 W300 H495 L497	L218-L222 HydrophobicContact CD2-CD2 4.46Å; L218-L222 WeakPolarHBondContact O-CB 3.39Å; L218-L222 PolarHBondContact O-N 3.33Å; Q219-L222 PolarHBondContact O-N 2.88Å; L222-P224 VanDerWaalsContact C-CD 3.41Å; L222-P224 VanDerWaalsContact O-CD 3.3Å; L222-P224 WeakPolarHBondContact O-CD 3.34Å; L222-W300 HydrophobicContact CD1-CH2 4.27Å; L222-H495 PolarHBondContact O-NE2 3.35Å; L222-L497 HydrophobicContact CB-CD2 4.23Å; L222-L497 HydrophobicContact CD1-CB 3.99Å
223	Y	98.3	Very high	98	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	13%	0.129	C	C	.	.	S	Bend	trans	-121	65.6	-178.7	-55.5	-92.8	0	0	0	112.4	Q219 D225 Y228 S229 Q297 L330 T381 E383 A384 S385	Q219-Y223 HydrophobicContact CG-CD2 4.13Å; Q219-Y223 WeakPolarHBondContact O-CD2 3.42Å; Q219-Y223 PolarHBondContact O-N 3.04Å; Y223-D225 VanDerWaalsContact C-N 3.33Å; Y223-D225 PolarHBondContact O-N 3.3Å; Y223-Y228 VanDerWaalsContact CB-CB 3.45Å; Y223-Y228 HydrophobicContact CD1-CD2 4.09Å; Y223-Y228 HydrophobicContact CG-CD2 4.17Å; Y223-Y228 HydrophobicContact CG-CG 4.48Å; Y223-S229 WeakPolarHBondContact O-CB 3.37Å; Y223-S229 PolarHBondContact O-N 3.41Å; Y223-Q297 HydrophobicContact CD1-CB 4.32Å; Y223-Q297 HydrophobicContact CD1-CG 4.38Å; Y223-L330 HydrophobicContact CD1-CD1 3.86Å; Y223-L330 HydrophobicContact CE1-CD1 3.2Å; Y223-T381 PolarHBondContact OH-OG1 2.9Å; Y223-E383 HydrophobicContact CE1-CB 4.19Å; Y223-E383 WeakPolarHBondContact CE1-O 3.33Å; Y223-E383 VanDerWaalsContact CZ-O 3.25Å; Y223-E383 PolarHBondContact OH-O 3.47Å; Y223-A384 VanDerWaalsContact OH-C 3.3Å; Y223-A384 PolarHBondContact OH-O 2.8Å; Y223-S385 WeakPolarHBondContact OH-CB 3.48Å; Y223-S385 PolarHBondContact OH-N 3.45Å
224	P	97.9	Very high	98.2	Very high	38 Å²	38	22.3 Å²	22.3	25%	0.247	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.9	-166.2	31.2	-38	0	0	0	115.6	L222 S229 W300	L222-P224 VanDerWaalsContact C-CD 3.41Å; L222-P224 VanDerWaalsContact O-CD 3.3Å; L222-P224 WeakPolarHBondContact O-CD 3.34Å; P224-S229 WeakPolarHBondContact O-CB 3.19Å; P224-W300 HydrophobicContact CG-CZ2 4.12Å
225	D	98.1	Very high	98.2	Very high	92 Å²	92	24.5 Å²	24.5	49%	0.492	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-5.8	-162.4	-63.2	-26.1	0	0	0	114.8	Y223 Q297 P298	Y223-D225 VanDerWaalsContact C-N 3.33Å; Y223-D225 PolarHBondContact O-N 3.3Å; D225-Q297 PolarHBondContact OD2-NE2 2.93Å; D225-P298 VanDerWaalsContact OD2-CD 3.3Å; D225-P298 WeakPolarHBondContact OD2-CD 3.35Å
226	H	98.4	Very high	98.2	Very high	26 Å²	26	23.1 Å²	23.1	12%	0.12	13%	0.125	C	C	.	.	S	Bend	trans	-152	-154.3	-175.4	-156.5	-100.3	0	0	0	112.6	R94 Y228 S229 P295	R94-H226 PolarHBondContact NH1-CD2 2.98Å; R94-H226 PolarHBondContact NH1-CE1 3.42Å; R94-H226 PolarHBondContact NH1-NE2 3.35Å; R94-H226 PolarHBondContact NH2-CE1 2.99Å; R94-H226 VanDerWaalsContact NH2-CE1 3.25Å; R94-H226 PolarHBondContact NH2-NE2 2.93Å; H226-Y228 PolarHBondContact O-N 3.46Å; H226-S229 VanDerWaalsContact O-CB 3.3Å; H226-S229 WeakPolarHBondContact O-CB 3.48Å; H226-S229 PolarHBondContact O-N 3.44Å; H226-S229 PolarHBondContact O-OG 3.26Å; H226-P295 HydrophobicContact CB-CG 4.28Å; H226-P295 WeakPolarHBondContact CD2-CD 3.42Å; H226-P295 WeakPolarHBondContact CD2-CG 3.32Å; H226-P295 WeakPolarHBondContact CE1-CD 3.34Å; H226-P295 WeakPolarHBondContact NE2-CD 3.49Å
227	T	98.6	Very high	98.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-54.2	-24.2	-176.9	-164.2	0	0	0	0	115.5	T92 P93 D139 S229 V230 V294	T92-T227 WeakPolarHBondContact CA-OG1 3.41Å; T92-T227 HydrophobicContact CG2-CG2 4.36Å; P93-T227 WeakPolarHBondContact CD-OG1 3.4Å; P93-T227 WeakPolarHBondContact O-CA 3.4Å; P93-T227 WeakPolarHBondContact O-CB 3.16Å; P93-T227 PolarHBondContact O-OG1 3.39Å; P93-T227 VanDerWaalsContact O-OG1 3.05Å; D139-T227 HydrophobicContact CB-CG2 3.86Å; T227-S229 VanDerWaalsContact C-N 3.25Å; T227-S229 PolarHBondContact O-N 3.14Å; T227-V230 WeakPolarHBondContact O-CG2 3.37Å; T227-V294 HydrophobicContact CG2-CG1 4.35Å; T227-V294 HydrophobicContact CG2-CG2 4.06Å
228	Y	98.7	Very high	98.1	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.02	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-78.8	-10.2	177.6	-58.4	-46.2	0	0	0	112.7	D139 N220 Y223 H226 V230 V294 T381 K382 H454	D139-Y228 HydrophobicContact CB-CE1 3.72Å; D139-Y228 PolarHBondContact OD2-OH 3.48Å; N220-Y228 VanDerWaalsContact CA-O 3.31Å; N220-Y228 WeakPolarHBondContact CA-O 3.39Å; N220-Y228 PolarHBondContact ND2-O 2.86Å; Y223-Y228 VanDerWaalsContact CB-CB 3.45Å; Y223-Y228 HydrophobicContact CD1-CD2 4.09Å; Y223-Y228 HydrophobicContact CG-CD2 4.17Å; Y223-Y228 HydrophobicContact CG-CG 4.48Å; H226-Y228 PolarHBondContact O-N 3.46Å; Y228-V230 PolarHBondContact O-N 2.93Å; Y228-V294 HydrophobicContact CE2-CG1 3.84Å; Y228-T381 HydrophobicContact CD1-CG2 3.67Å; Y228-T381 HydrophobicContact CD2-CG2 4.25Å; Y228-T381 HydrophobicContact CE1-CG2 3.6Å; Y228-T381 HydrophobicContact CE2-CG2 4.18Å; Y228-T381 HydrophobicContact CG-CG2 4.02Å; Y228-K382 HydrophobicContact CE2-CB 4.12Å; Y228-K382 PolarHBondContact OH-N 3.44Å; Y228-H454 PolarHBondContact OH-CE1 2.73Å; Y228-H454 VanDerWaalsContact OH-CE1 3.23Å; Y228-H454 PolarHBondContact OH-NE2 2.9Å
229	S	98.4	Very high	98.1	Very high	43 Å²	43	23 Å²	23	30%	0.301	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-79.3	-4.1	176.8	82.4	0	0	0	0	113.6	N220 Y223 P224 H226 T227	N220-S229 PolarHBondContact ND2-O 3Å; Y223-S229 WeakPolarHBondContact O-CB 3.37Å; Y223-S229 PolarHBondContact O-N 3.41Å; P224-S229 WeakPolarHBondContact O-CB 3.19Å; H226-S229 VanDerWaalsContact O-CB 3.3Å; H226-S229 WeakPolarHBondContact O-CB 3.48Å; H226-S229 PolarHBondContact O-N 3.44Å; H226-S229 PolarHBondContact O-OG 3.26Å; T227-S229 VanDerWaalsContact C-N 3.25Å; T227-S229 PolarHBondContact O-N 3.14Å
230	V	98.6	Very high	98.1	Very high	14 Å²	14	22.1 Å²	22.1	9%	0.085	13%	0.126	C	C	.	.	S	Bend	trans	-120.2	167.6	-175.9	-59	0	0	0	0	112	P93 D95 Q216 N220 T227 Y228 S232	P93-V230 HydrophobicContact CB-CG2 4.12Å; P93-V230 HydrophobicContact CG-CG2 3.99Å; D95-V230 WeakPolarHBondContact O-CG2 3.25Å; Q216-V230 PolarHBondContact NE2-O 3.23Å; N220-V230 VanDerWaalsContact ND2-C 3.3Å; N220-V230 PolarHBondContact ND2-N 2.97Å; N220-V230 VanDerWaalsContact ND2-N 3.2Å; N220-V230 PolarHBondContact ND2-O 3.04Å; T227-V230 WeakPolarHBondContact O-CG2 3.37Å; Y228-V230 PolarHBondContact O-N 2.93Å; V230-S232 PolarHBondContact O-N 3.18Å
231	V	98.7	Very high	98.1	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	14%	0.138	C	C	.	.			trans	-92.7	98.4	178	-175.2	0	0	0	0	109.2	S96 M203 F207 Q216 G233 G234 E235	S96-V231 PolarHBondContact OG-N 2.95Å; M203-V231 HydrophobicContact CE-CG1 4.42Å; F207-V231 HydrophobicContact CE2-CG1 4.01Å; F207-V231 HydrophobicContact CZ-CG1 3.59Å; Q216-V231 HydrophobicContact CG-CG1 4.22Å; Q216-V231 HydrophobicContact CG-CG2 3.81Å; V231-G233 VanDerWaalsContact C-N 3.29Å; V231-G233 PolarHBondContact O-N 3.48Å; V231-G234 PolarHBondContact O-N 2.88Å; V231-E235 HydrophobicContact CB-CB 4.31Å; V231-E235 HydrophobicContact CG2-CB 4.29Å
232	S	98.5	Very high	98.1	Very high	10 Å²	10	22 Å²	22	7%	0.07	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.7	-176.4	68.6	0	0	0	0	113.3	G98 P100 A137 S138 V230 G234	G98-S232 WeakPolarHBondContact CA-O 3.37Å; P100-S232 WeakPolarHBondContact CG-O 3.41Å; A137-S232 WeakPolarHBondContact O-CB 3.24Å; A137-S232 PolarHBondContact O-OG 3.31Å; S138-S232 WeakPolarHBondContact CA-OG 3.26Å; V230-S232 PolarHBondContact O-N 3.18Å; S232-G234 PolarHBondContact O-N 2.93Å
233	G	97.8	Very high	98.1	Very high	12 Å²	12	24.8 Å²	24.8	12%	0.124	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.7	173.7	0	0	0	0	0	113.8	H101 M203 V231	H101-G233 PolarHBondContact ND1-O 3.04Å; M203-G233 VanDerWaalsContact CG-O 3.28Å; M203-G233 WeakPolarHBondContact CG-O 3.19Å; V231-G233 VanDerWaalsContact C-N 3.29Å; V231-G233 PolarHBondContact O-N 3.48Å
234	G	98.3	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.			trans	103.6	123.8	-175.7	0	0	0	0	0	113.2	S96 M203 V231 S232	S96-G234 WeakPolarHBondContact O-CA 3.42Å; M203-G234 WeakPolarHBondContact CB-O 3.43Å; M203-G234 WeakPolarHBondContact CE-O 2.96Å; M203-G234 WeakPolarHBondContact CG-O 3.44Å; V231-G234 PolarHBondContact O-N 2.88Å; S232-G234 PolarHBondContact O-N 2.93Å
235	E	97.4	Very high	98.2	Very high	47 Å²	47	30.9 Å²	30.9	22%	0.22	17%	0.167	C	C	.	.			trans	-79.6	123.2	167.6	175.9	68.8	-113.8	0	0	108.1	S96 V231 L237 A238 I239	S96-E235 PolarHBondContact O-N 3.06Å; V231-E235 HydrophobicContact CB-CB 4.31Å; V231-E235 HydrophobicContact CG2-CB 4.29Å; E235-L237 PolarHBondContact O-N 3.32Å; E235-A238 HydrophobicContact CB-CB 4.16Å; E235-A238 CarbonylContact O-C 3.6Å; E235-A238 WeakPolarHBondContact O-CA 3.39Å; E235-A238 PolarHBondContact O-N 2.81Å; E235-I239 WeakPolarHBondContact O-CG1 3.43Å; E235-I239 PolarHBondContact O-N 3.08Å
236	P	95.8	Very high	98.2	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-34.9	-177.3	-33.4	36.9	0	0	0	115.2	F200 M203 K204 F207 P240	F200-P236 HydrophobicContact CE2-CB 4.29Å; F200-P236 WeakPolarHBondContact CE2-O 3.13Å; M203-P236 HydrophobicContact CB-CG 4.12Å; K204-P236 HydrophobicContact CG-CB 3.87Å; K204-P236 HydrophobicContact CG-CG 3.84Å; F207-P236 HydrophobicContact CD2-CG 4.31Å; P236-P240 WeakPolarHBondContact O-CD 3.37Å
237	L	96.7	Very high	98.3	Very high	65 Å²	65	29.3 Å²	29.3	34%	0.34	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.2	178	-63.8	178.7	0	0	0	114.3	E235 A514 E515	E235-L237 PolarHBondContact O-N 3.32Å; L237-A514 HydrophobicContact CD1-CB 3.84Å; L237-A514 HydrophobicContact CD2-CB 4.12Å; L237-E515 HydrophobicContact CD2-CB 4.06Å
238	A	98.2	Very high	98.3	Very high	22 Å²	22	32.4 Å²	32.4	18%	0.182	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-21.7	178	0	0	0	0	0	113.5	S96 E235 P240 D241	S96-A238 WeakPolarHBondContact O-CB 3.47Å; E235-A238 HydrophobicContact CB-CB 4.16Å; E235-A238 CarbonylContact O-C 3.6Å; E235-A238 WeakPolarHBondContact O-CA 3.39Å; E235-A238 PolarHBondContact O-N 2.81Å; A238-P240 VanDerWaalsContact C-CD 3.49Å; A238-P240 VanDerWaalsContact C-N 3.26Å; A238-D241 WeakPolarHBondContact O-CB 3.46Å; A238-D241 PolarHBondContact O-N 3.12Å
239	I	98.6	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-49	-46	173.1	-75.2	170	0	0	0	111.1	T97 I102 W179 V199 F200 M203 E235 D241 L242	T97-I239 WeakPolarHBondContact O-CG1 3.49Å; I102-I239 HydrophobicContact CD1-CG2 4.11Å; W179-I239 HydrophobicContact CB-CG2 3.74Å; W179-I239 HydrophobicContact CG-CG2 3.95Å; W179-I239 PolarHBondContact NE1-O 3.08Å; W179-I239 VanDerWaalsContact NE1-O 3.1Å; V199-I239 HydrophobicContact CG1-CD1 4.27Å; F200-I239 HydrophobicContact CB-CG2 4.39Å; F200-I239 HydrophobicContact CD2-CB 4.39Å; F200-I239 HydrophobicContact CD2-CG2 4.15Å; M203-I239 HydrophobicContact CB-CD1 4.18Å; M203-I239 HydrophobicContact CG-CD1 4.14Å; E235-I239 WeakPolarHBondContact O-CG1 3.43Å; E235-I239 PolarHBondContact O-N 3.08Å; I239-D241 PolarHBondContact O-N 3.04Å; I239-L242 WeakPolarHBondContact O-CB 3.4Å; I239-L242 PolarHBondContact O-N 3.44Å
240	P	98.4	Very high	98.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.013	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63	-7.5	178.2	-25.2	35.8	0	0	0	115.6	W179 F195 F200 P236 A238 K522	W179-P240 HydrophobicContact CD2-CB 4.1Å; W179-P240 VanDerWaalsContact CE2-CA 3.44Å; W179-P240 HydrophobicContact CE3-CB 3.97Å; W179-P240 HydrophobicContact CH2-CB 4.4Å; W179-P240 WeakPolarHBondContact CH2-O 3.45Å; W179-P240 WeakPolarHBondContact CZ2-O 3.47Å; W179-P240 HydrophobicContact CZ3-CB 4.12Å; F195-P240 HydrophobicContact CD1-CB 4.48Å; F195-P240 HydrophobicContact CD1-CG 4.31Å; F195-P240 HydrophobicContact CE1-CB 3.79Å; F195-P240 HydrophobicContact CE1-CG 3.97Å; F195-P240 HydrophobicContact CE2-CG 4.37Å; F195-P240 HydrophobicContact CZ-CB 3.96Å; F195-P240 HydrophobicContact CZ-CG 4Å; F200-P240 HydrophobicContact CE2-CG 4.29Å; P236-P240 WeakPolarHBondContact O-CD 3.37Å; A238-P240 VanDerWaalsContact C-CD 3.49Å; A238-P240 VanDerWaalsContact C-N 3.26Å; P240-K522 HydrophobicContact CB-CD 4.37Å; P240-K522 WeakPolarHBondContact O-CE 3.3Å; P240-K522 PolarHBondContact O-NZ 3.46Å
241	D	98.3	Very high	98.3	Very high	70 Å²	70	37.3 Å²	37.3	37%	0.374	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-91	-8.5	176.3	-64.2	-26.5	0	0	0	112.8	A238 I239 Q246 K518 K522	A238-D241 WeakPolarHBondContact O-CB 3.46Å; A238-D241 PolarHBondContact O-N 3.12Å; I239-D241 PolarHBondContact O-N 3.04Å; D241-Q246 PolarHBondContact O-OE1 3.36Å; D241-K518 WeakPolarHBondContact OD1-CE 3.46Å; D241-K518 IonicContact OD1-NZ 2.87Å; D241-K518 PolarHBondContact OD1-NZ 3.38Å; D241-K518 IonicContact OD2-NZ 3.43Å; D241-K518 PolarHBondContact OD2-NZ 3.07Å; D241-K522 IonicContact OD1-NZ 3.68Å; D241-K522 PolarHBondContact OD1-NZ 3.34Å; D241-K522 VanDerWaalsContact OD1-NZ 3.14Å
242	L	98.8	Very high	98.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.212	C	C	.	.			trans	-69.4	130.3	174.8	-170.9	55	0	0	0	111.6	T97 V99 I102 F174 W179 I239 Q246 L247	T97-L242 HydrophobicContact CG2-CB 4.36Å; V99-L242 HydrophobicContact CB-CD1 3.78Å; V99-L242 HydrophobicContact CB-CD2 4.08Å; V99-L242 HydrophobicContact CG2-CD1 3.76Å; V99-L242 HydrophobicContact CG2-CD2 4.23Å; I102-L242 HydrophobicContact CB-CD2 4.14Å; I102-L242 HydrophobicContact CD1-CD2 3.55Å; I102-L242 HydrophobicContact CG1-CD2 4.38Å; I102-L242 HydrophobicContact CG2-CD2 4.23Å; F174-L242 HydrophobicContact CE2-CD2 3.87Å; F174-L242 HydrophobicContact CE2-CG 4.03Å; F174-L242 HydrophobicContact CZ-CB 4.48Å; F174-L242 HydrophobicContact CZ-CG 4.27Å; W179-L242 PolarHBondContact NE1-O 3.47Å; I239-L242 WeakPolarHBondContact O-CB 3.4Å; I239-L242 PolarHBondContact O-N 3.44Å; L242-Q246 HydrophobicContact CD1-CB 3.76Å; L242-L247 HydrophobicContact CD2-CD1 4.42Å
243	T	98.7	Very high	98.3	Very high	58 Å²	58	42.3 Å²	42.3	36%	0.356	22%	0.224	S	C	.	.			trans	-102.1	158.5	170.7	76.2	0	0	0	0	112.5	E245 Q246 L247	T243-E245 VanDerWaalsContact C-N 3.26Å; T243-E245 PolarHBondContact O-N 3.34Å; T243-Q246 PolarHBondContact O-N 2.8Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.48Å; T243-Q246 PolarHBondContact OG1-N 2.8Å; T243-Q246 PolarHBondContact OG1-OE1 3Å; T243-L247 PolarHBondContact O-N 3.14Å; T243-L247 VanDerWaalsContact O-N 3.1Å
244	W	98.6	Very high	98.3	Very high	65 Å²	65	42.2 Å²	42.2	25%	0.246	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-35.1	175.8	179	49.5	0	0	0	112.4	L169 E171 F174 L247 K248	L169-W244 WeakPolarHBondContact O-CZ2 3.36Å; L169-W244 PolarHBondContact O-NE1 2.89Å; E171-W244 HydrophobicContact CB-CD2 3.97Å; E171-W244 HydrophobicContact CB-CE3 4.25Å; E171-W244 HydrophobicContact CB-CG 4.33Å; E171-W244 HydrophobicContact CB-CZ2 4.43Å; E171-W244 HydrophobicContact CG-CD2 4.18Å; E171-W244 HydrophobicContact CG-CE3 4.33Å; E171-W244 HydrophobicContact CG-CG 4.26Å; F174-W244 HydrophobicContact CD1-CB 3.9Å; F174-W244 HydrophobicContact CD1-CG 4.43Å; F174-W244 HydrophobicContact CE1-CB 4.16Å; W244-L247 WeakPolarHBondContact O-CB 3.13Å; W244-L247 PolarHBondContact O-N 3.33Å; W244-K248 HydrophobicContact CD2-CD 4.24Å; W244-K248 HydrophobicContact CH2-CD 4.37Å; W244-K248 HydrophobicContact CZ2-CD 3.75Å; W244-K248 WeakPolarHBondContact O-CE 3.4Å; W244-K248 PolarHBondContact O-N 3.33Å; W244-K248 VanDerWaalsContact O-N 3.1Å
245	E	98.8	Very high	98.3	Very high	104 Å²	104	42.5 Å²	42.5	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-64	-43.5	174.7	-73.6	58.6	-131.2	0	0	111.9	T243 L247 K248 Q249	T243-E245 VanDerWaalsContact C-N 3.26Å; T243-E245 PolarHBondContact O-N 3.34Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 3.1Å; E245-K248 PolarHBondContact O-N 3.5Å; E245-K248 IonicContact OE1-NZ 2.87Å; E245-K248 PolarHBondContact OE1-NZ 3.17Å; E245-Q249 WeakPolarHBondContact O-CB 3.37Å; E245-Q249 PolarHBondContact O-N 3.01Å
246	Q	98.8	Very high	98.4	Very high	84 Å²	84	41.4 Å²	41.4	39%	0.393	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-40.6	176.4	-75	169.3	-29.6	0	0	111.3	D241 L242 T243 Q249 F250	D241-Q246 PolarHBondContact O-OE1 3.36Å; L242-Q246 HydrophobicContact CD1-CB 3.76Å; T243-Q246 PolarHBondContact O-N 2.8Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.48Å; T243-Q246 PolarHBondContact OG1-N 2.8Å; T243-Q246 PolarHBondContact OG1-OE1 3Å; Q246-Q249 PolarHBondContact O-N 2.68Å; Q246-F250 WeakPolarHBondContact O-CB 3.46Å; Q246-F250 PolarHBondContact O-N 2.74Å
247	L	98.8	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-51.6	174.3	-172.3	80.7	0	0	0	111.8	V99 I102 L103 T106 F174 L242 T243 W244 E245 Q249 F250 H251	V99-L247 HydrophobicContact CG2-CD1 4.18Å; I102-L247 HydrophobicContact CB-CD1 4.31Å; I102-L247 HydrophobicContact CG2-CD1 3.92Å; L103-L247 HydrophobicContact CB-CD1 3.76Å; L103-L247 HydrophobicContact CD1-CD1 4.24Å; L103-L247 HydrophobicContact CD1-CG 4.19Å; T106-L247 HydrophobicContact CG2-CD2 4Å; F174-L247 HydrophobicContact CB-CD2 4.03Å; F174-L247 HydrophobicContact CD2-CD2 3.84Å; F174-L247 HydrophobicContact CG-CD2 4.16Å; L242-L247 HydrophobicContact CD2-CD1 4.42Å; T243-L247 PolarHBondContact O-N 3.14Å; T243-L247 VanDerWaalsContact O-N 3.1Å; W244-L247 WeakPolarHBondContact O-CB 3.13Å; W244-L247 PolarHBondContact O-N 3.33Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 3.1Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-Q249 PolarHBondContact O-N 3.14Å; L247-F250 PolarHBondContact O-N 3.11Å; L247-H251 PolarHBondContact O-N 3.29Å
248	K	98.8	Very high	98.6	Very high	67 Å²	67	38.9 Å²	38.9	29%	0.291	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-41.7	178.1	-71.4	177.6	-64.9	-167.1	0	111.9	L169 W244 E245 H251 A252	L169-K248 HydrophobicContact CB-CG 4.26Å; L169-K248 HydrophobicContact CD1-CG 4.06Å; W244-K248 HydrophobicContact CD2-CD 4.24Å; W244-K248 HydrophobicContact CH2-CD 4.37Å; W244-K248 HydrophobicContact CZ2-CD 3.75Å; W244-K248 WeakPolarHBondContact O-CE 3.4Å; W244-K248 PolarHBondContact O-N 3.33Å; W244-K248 VanDerWaalsContact O-N 3.1Å; E245-K248 PolarHBondContact O-N 3.5Å; E245-K248 IonicContact OE1-NZ 2.87Å; E245-K248 PolarHBondContact OE1-NZ 3.17Å; K248-H251 PolarHBondContact O-N 2.86Å; K248-A252 PolarHBondContact O-N 2.91Å
249	Q	98.7	Very high	98.7	Very high	121 Å²	121	38 Å²	38	57%	0.565	20%	0.197	S	C	*	.	H	α-helix	trans	-67	-38.4	178.7	-175	57.2	46	0	0	111.9	E245 Q246 L247 A252 T253	E245-Q249 WeakPolarHBondContact O-CB 3.37Å; E245-Q249 PolarHBondContact O-N 3.01Å; Q246-Q249 PolarHBondContact O-N 2.68Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-Q249 PolarHBondContact O-N 3.14Å; Q249-A252 PolarHBondContact O-N 3.35Å; Q249-T253 PolarHBondContact NE2-OG1 3.01Å; Q249-T253 WeakPolarHBondContact O-CB 3.21Å; Q249-T253 PolarHBondContact O-N 3.48Å; Q249-T253 PolarHBondContact O-OG1 3.33Å
250	F	98.8	Very high	98.6	Very high	21 Å²	21	38 Å²	38	9%	0.092	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.9	-167.4	-87.8	0	0	0	110.9	T91 V99 P100 L103 Q246 L247 T253 H254	T91-F250 HydrophobicContact CG2-CE1 3.93Å; T91-F250 HydrophobicContact CG2-CZ 4.41Å; V99-F250 HydrophobicContact CB-CD2 4.49Å; V99-F250 HydrophobicContact CB-CG 4.48Å; V99-F250 HydrophobicContact CG1-CD1 4.43Å; V99-F250 HydrophobicContact CG1-CD2 3.5Å; V99-F250 HydrophobicContact CG1-CE2 3.67Å; V99-F250 HydrophobicContact CG1-CG 3.92Å; V99-F250 HydrophobicContact CG1-CZ 4.22Å; V99-F250 HydrophobicContact CG2-CB 3.61Å; V99-F250 HydrophobicContact CG2-CD1 4.24Å; V99-F250 HydrophobicContact CG2-CD2 4.14Å; V99-F250 HydrophobicContact CG2-CG 3.74Å; P100-F250 HydrophobicContact CB-CE1 3.78Å; P100-F250 HydrophobicContact CB-CZ 3.91Å; P100-F250 HydrophobicContact CG-CZ 4.42Å; L103-F250 HydrophobicContact CD2-CD1 3.76Å; L103-F250 HydrophobicContact CD2-CE1 4.48Å; Q246-F250 WeakPolarHBondContact O-CB 3.46Å; Q246-F250 PolarHBondContact O-N 2.74Å; L247-F250 PolarHBondContact O-N 3.11Å; F250-T253 PolarHBondContact O-N 2.89Å; F250-H254 AromaticContact CD1-ND1 3.57Å; F250-H254 AromaticContact CD2-CE1 3.39Å; F250-H254 WeakPolarHBondContact CD2-CE1 3.27Å; F250-H254 AromaticContact CD2-ND1 3.62Å; F250-H254 HydrophobicContact CE1-CB 4.49Å; F250-H254 AromaticContact CE1-CE1 3.98Å; F250-H254 AromaticContact CE1-ND1 3.57Å; F250-H254 AromaticContact CE2-CE1 3.18Å; F250-H254 WeakPolarHBondContact CE2-CE1 3.44Å; F250-H254 AromaticContact CE2-ND1 3.61Å; F250-H254 AromaticContact CE2-NE2 3.89Å; F250-H254 AromaticContact CG-CE1 3.88Å; F250-H254 AromaticContact CG-ND1 3.61Å; F250-H254 AromaticContact CZ-CE1 3.51Å; F250-H254 AromaticContact CZ-ND1 3.59Å; F250-H254 AromaticContact CZ-NE2 3.99Å; F250-H254 PolarHBondContact O-N 3.36Å; F250-H254 VanDerWaalsContact O-N 3.08Å; F250-H254 PolarHBondContact O-ND1 3.29Å
251	H	98.8	Very high	98.7	Very high	23 Å²	23	38.5 Å²	38.5	11%	0.106	20%	0.199	C	C	.	.	H	α-helix	trans	-57.7	-54.4	172.7	178.6	-90.7	0	0	0	111.8	L103 V164 P167 L169 L247 K248 T253 H254 Y255	L103-H251 HydrophobicContact CD1-CB 3.87Å; L103-H251 HydrophobicContact CD2-CB 3.71Å; L103-H251 HydrophobicContact CG-CB 4.46Å; V164-H251 PolarHBondContact O-NE2 3.35Å; P167-H251 WeakPolarHBondContact CD-NE2 3.28Å; P167-H251 VanDerWaalsContact CG-NE2 3.32Å; P167-H251 WeakPolarHBondContact CG-NE2 3.36Å; L169-H251 HydrophobicContact CD1-CB 3.88Å; L247-H251 PolarHBondContact O-N 3.29Å; K248-H251 PolarHBondContact O-N 2.86Å; H251-T253 PolarHBondContact O-N 3.45Å; H251-T253 VanDerWaalsContact O-N 3.08Å; H251-H254 PolarHBondContact O-N 3.22Å; H251-H254 VanDerWaalsContact O-N 3.12Å; H251-Y255 VanDerWaalsContact CD2-CB 3.49Å; H251-Y255 WeakPolarHBondContact CD2-CB 3.42Å; H251-Y255 AromaticContact CD2-CD1 3.69Å; H251-Y255 AromaticContact CD2-CD2 3.84Å; H251-Y255 AromaticContact CD2-CG 3.38Å; H251-Y255 VanDerWaalsContact NE2-CB 3.34Å; H251-Y255 WeakPolarHBondContact NE2-CB 3.44Å; H251-Y255 AromaticContact NE2-CD1 3.8Å; H251-Y255 AromaticContact NE2-CG 3.64Å; H251-Y255 WeakPolarHBondContact O-CB 3.23Å; H251-Y255 PolarHBondContact O-N 2.9Å
252	A	98.4	Very high	98.7	Very high	65 Å²	65	35.2 Å²	35.2	54%	0.537	18%	0.181	S	C	.	.	H	α-helix	trans	-56.7	-31.2	-178.8	0	0	0	0	0	113.2	K248 Q249	K248-A252 PolarHBondContact O-N 2.91Å; Q249-A252 PolarHBondContact O-N 3.35Å
253	T	98.4	Very high	98.7	Very high	52 Å²	52	35.3 Å²	35.3	32%	0.319	18%	0.181	S	C	.	.	H	α-helix	trans	-78.3	-41.9	179.5	-54	0	0	0	0	112.2	Q249 F250 H251	Q249-T253 PolarHBondContact NE2-OG1 3.01Å; Q249-T253 WeakPolarHBondContact O-CB 3.21Å; Q249-T253 PolarHBondContact O-N 3.48Å; Q249-T253 PolarHBondContact O-OG1 3.33Å; F250-T253 PolarHBondContact O-N 2.89Å; H251-T253 PolarHBondContact O-N 3.45Å; H251-T253 VanDerWaalsContact O-N 3.08Å
254	H	98.8	Very high	98.7	Very high	11 Å²	11	32.5 Å²	32.5	5%	0.051	16%	0.164	C	C	.	.	H	α-helix	trans	-105	-24.1	-167.1	-57.7	92.6	0	0	0	114.6	R90 T91 T92 F250 H251 H256 N259	R90-H254 PolarHBondContact O-CD2 3.17Å; R90-H254 VanDerWaalsContact O-CD2 3.29Å; T91-H254 HydrophobicContact CG2-CB 3.95Å; T92-H254 PolarHBondContact N-NE2 3.34Å; T92-H254 PolarHBondContact OG1-NE2 3.1Å; F250-H254 AromaticContact CD1-ND1 3.57Å; F250-H254 AromaticContact CD2-CE1 3.39Å; F250-H254 WeakPolarHBondContact CD2-CE1 3.27Å; F250-H254 AromaticContact CD2-ND1 3.62Å; F250-H254 HydrophobicContact CE1-CB 4.49Å; F250-H254 AromaticContact CE1-CE1 3.98Å; F250-H254 AromaticContact CE1-ND1 3.57Å; F250-H254 AromaticContact CE2-CE1 3.18Å; F250-H254 WeakPolarHBondContact CE2-CE1 3.44Å; F250-H254 AromaticContact CE2-ND1 3.61Å; F250-H254 AromaticContact CE2-NE2 3.89Å; F250-H254 AromaticContact CG-CE1 3.88Å; F250-H254 AromaticContact CG-ND1 3.61Å; F250-H254 AromaticContact CZ-CE1 3.51Å; F250-H254 AromaticContact CZ-ND1 3.59Å; F250-H254 AromaticContact CZ-NE2 3.99Å; F250-H254 PolarHBondContact O-N 3.36Å; F250-H254 VanDerWaalsContact O-N 3.08Å; F250-H254 PolarHBondContact O-ND1 3.29Å; H251-H254 PolarHBondContact O-N 3.22Å; H251-H254 VanDerWaalsContact O-N 3.12Å; H254-H256 VanDerWaalsContact C-N 3.32Å; H254-H256 PolarHBondContact O-N 3.11Å; H254-N259 PolarHBondContact O-ND2 2.56Å
255	Y	98.7	Very high	98.7	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.02	15%	0.153	C	C	.	.			trans	-94.5	18.4	-171.6	-76.3	-116.6	0	0	0	113.5	F89 T91 L103 V107 Y143 V164 F165 H251	F89-Y255 HydrophobicContact CD1-CD1 4.43Å; F89-Y255 HydrophobicContact CD1-CG 4.35Å; F89-Y255 AromaticContact CD2-CD1 3.92Å; F89-Y255 HydrophobicContact CD2-CD1 3.92Å; F89-Y255 AromaticContact CD2-CE1 3.87Å; F89-Y255 HydrophobicContact CD2-CE1 3.87Å; F89-Y255 HydrophobicContact CE1-CD1 4.31Å; F89-Y255 HydrophobicContact CE1-CG 4.44Å; F89-Y255 AromaticContact CE2-CD1 3.81Å; F89-Y255 HydrophobicContact CE2-CD1 3.81Å; F89-Y255 AromaticContact CE2-CE1 3.99Å; F89-Y255 HydrophobicContact CE2-CE1 3.99Å; F89-Y255 HydrophobicContact CG-CD1 4.23Å; F89-Y255 HydrophobicContact CG-CE1 4.42Å; F89-Y255 HydrophobicContact CG-CG 4.36Å; F89-Y255 HydrophobicContact CZ-CD1 4.01Å; T91-Y255 HydrophobicContact CG2-CE2 3.9Å; L103-Y255 HydrophobicContact CD2-CD2 3.81Å; L103-Y255 HydrophobicContact CD2-CE2 3.3Å; L103-Y255 HydrophobicContact CG-CE2 4.16Å; V107-Y255 HydrophobicContact CG1-CE1 4.38Å; Y143-Y255 AromaticContact CE2-CE1 3.75Å; Y143-Y255 HydrophobicContact CE2-CE1 3.75Å; Y143-Y255 AromaticContact CZ-CE1 3.9Å; Y143-Y255 WeakPolarHBondContact OH-CE1 3.28Å; Y143-Y255 PolarHBondContact OH-OH 3.02Å; V164-Y255 HydrophobicContact CB-CD1 4.2Å; V164-Y255 HydrophobicContact CB-CE1 4.41Å; V164-Y255 VanDerWaalsContact O-CD1 3.31Å; V164-Y255 WeakPolarHBondContact O-CD1 3.33Å; F165-Y255 WeakPolarHBondContact CD1-O 3.3Å; F165-Y255 WeakPolarHBondContact CE1-O 3.4Å; H251-Y255 VanDerWaalsContact CD2-CB 3.49Å; H251-Y255 WeakPolarHBondContact CD2-CB 3.42Å; H251-Y255 AromaticContact CD2-CD1 3.69Å; H251-Y255 AromaticContact CD2-CD2 3.84Å; H251-Y255 AromaticContact CD2-CG 3.38Å; H251-Y255 VanDerWaalsContact NE2-CB 3.34Å; H251-Y255 WeakPolarHBondContact NE2-CB 3.44Å; H251-Y255 AromaticContact NE2-CD1 3.8Å; H251-Y255 AromaticContact NE2-CG 3.64Å; H251-Y255 WeakPolarHBondContact O-CB 3.23Å; H251-Y255 PolarHBondContact O-N 2.9Å
256	H	98.8	Very high	98.6	Very high	24 Å²	24	24.5 Å²	24.5	11%	0.111	13%	0.129	C	C	.	.	S	Bend	trans	-77	140.2	172.3	-170.3	-83.2	0	0	0	111	H254 S258 N259 F285 D286 I288	H254-H256 VanDerWaalsContact C-N 3.32Å; H254-H256 PolarHBondContact O-N 3.11Å; H256-S258 VanDerWaalsContact C-N 3.28Å; H256-S258 PolarHBondContact CE1-OG 3.02Å; H256-S258 VanDerWaalsContact CE1-OG 3.3Å; H256-S258 PolarHBondContact ND1-N 3.08Å; H256-S258 VanDerWaalsContact ND1-N 3.15Å; H256-S258 PolarHBondContact ND1-OG 3.49Å; H256-S258 PolarHBondContact O-N 2.86Å; H256-S258 VanDerWaalsContact O-N 3.15Å; H256-N259 WeakPolarHBondContact O-CA 3.15Å; H256-N259 WeakPolarHBondContact O-CB 3.34Å; H256-N259 PolarHBondContact O-N 3.36Å; H256-F285 AromaticContact CD2-CD1 3.57Å; H256-F285 AromaticContact NE2-CD1 3.47Å; H256-F285 WeakPolarHBondContact NE2-CD1 3.44Å; H256-D286 PolarHBondContact CE1-O 3.31Å; H256-D286 PolarHBondContact NE2-O 3.43Å; H256-I288 HydrophobicContact CB-CD1 3.66Å; H256-I288 HydrophobicContact CB-CG1 4.44Å; H256-I288 WeakPolarHBondContact ND1-CG1 3.42Å
257	P	98.5	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.9	-26.2	-175.8	22.5	-35.6	0	0	0	115.7	T69 A71 F165 N259 A260 L282 F285	T69-P257 HydrophobicContact CG2-CB 4.32Å; T69-P257 HydrophobicContact CG2-CG 3.81Å; A71-P257 HydrophobicContact CB-CB 4.43Å; A71-P257 VanDerWaalsContact CB-O 3.24Å; A71-P257 WeakPolarHBondContact CB-O 3.31Å; F165-P257 HydrophobicContact CE1-CB 4.01Å; F165-P257 HydrophobicContact CE1-CG 4.48Å; F165-P257 HydrophobicContact CZ-CB 4.38Å; P257-N259 PolarHBondContact O-N 3.45Å; P257-A260 WeakPolarHBondContact O-CB 3.34Å; P257-A260 PolarHBondContact O-N 3.44Å; P257-L282 HydrophobicContact CB-CD2 3.29Å; P257-L282 HydrophobicContact CG-CD2 4Å; P257-F285 HydrophobicContact CG-CB 3.6Å; P257-F285 HydrophobicContact CG-CD1 4.08Å; P257-F285 HydrophobicContact CG-CD2 3.69Å; P257-F285 HydrophobicContact CG-CE2 4.33Å; P257-F285 HydrophobicContact CG-CG 3.53Å
258	S	98.6	Very high	98.4	Very high	21 Å²	21	25.6 Å²	25.6	15%	0.147	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60.7	-20.7	170.4	-55.4	0	0	0	0	113.5	T69 H256 I288	T69-S258 WeakPolarHBondContact O-CB 3.32Å; T69-S258 PolarHBondContact O-OG 2.66Å; H256-S258 VanDerWaalsContact C-N 3.28Å; H256-S258 PolarHBondContact CE1-OG 3.02Å; H256-S258 VanDerWaalsContact CE1-OG 3.3Å; H256-S258 PolarHBondContact ND1-N 3.08Å; H256-S258 VanDerWaalsContact ND1-N 3.15Å; H256-S258 PolarHBondContact ND1-OG 3.49Å; H256-S258 PolarHBondContact O-N 2.86Å; H256-S258 VanDerWaalsContact O-N 3.15Å; S258-I288 PolarHBondContact OG-N 3.11Å
259	N	98.7	Very high	98.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-96.4	-2.4	174.4	-165.8	48.9	0	0	0	112.9	R90 H254 H256 P257 A290 T292	R90-N259 PolarHBondContact N-ND2 2.84Å; R90-N259 PolarHBondContact O-ND2 3.18Å; H254-N259 PolarHBondContact O-ND2 2.56Å; H256-N259 WeakPolarHBondContact O-CA 3.15Å; H256-N259 WeakPolarHBondContact O-CB 3.34Å; H256-N259 PolarHBondContact O-N 3.36Å; P257-N259 PolarHBondContact O-N 3.45Å; N259-A290 HydrophobicContact CB-CB 3.82Å; N259-T292 PolarHBondContact OD1-OG1 3.15Å
260	A	98.6	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152.7	-173.1	0	0	0	0	0	112.8	V87 Q88 F89 F165 P257 F262	V87-A260 HydrophobicContact CG2-CB 4.15Å; Q88-A260 CarbonylContact O-C 3.59Å; Q88-A260 VanDerWaalsContact O-CA 3.25Å; Q88-A260 WeakPolarHBondContact O-CA 3.35Å; F89-A260 HydrophobicContact CD1-CB 3.96Å; F89-A260 HydrophobicContact CE1-CB 3.71Å; F89-A260 HydrophobicContact CZ-CB 4.44Å; F165-A260 HydrophobicContact CZ-CB 4.48Å; P257-A260 WeakPolarHBondContact O-CB 3.34Å; P257-A260 PolarHBondContact O-N 3.44Å; A260-F262 HydrophobicContact CB-CE2 3.97Å; A260-F262 HydrophobicContact CB-CZ 4.41Å
261	R	98.8	Very high	98.3	Very high	13 Å²	13	21.4 Å²	21.4	5%	0.049	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.6	167.8	-52.9	-63.8	177	-88.4	-0.8	108.5	Q72 V87 Q88 W452 D455	Q72-R261 VanDerWaalsContact CD-NE 3.32Å; V87-R261 WeakPolarHBondContact CA-O 3.39Å; Q88-R261 HydrophobicContact CB-CB 4.36Å; Q88-R261 PolarHBondContact N-O 3.1Å; Q88-R261 PolarHBondContact O-N 3.38Å; R261-W452 HydrophobicContact CB-CD2 3.98Å; R261-W452 HydrophobicContact CB-CE3 3.96Å; R261-W452 HydrophobicContact CB-CH2 4.06Å; R261-W452 HydrophobicContact CB-CZ2 4.08Å; R261-W452 HydrophobicContact CB-CZ3 4Å; R261-W452 HydrophobicContact CG-CD2 4.04Å; R261-W452 HydrophobicContact CG-CE3 4.47Å; R261-W452 HydrophobicContact CG-CG 4.25Å; R261-D455 IonicContact CZ-OD1 2.71Å; R261-D455 IonicContact NH2-OD1 2.66Å; R261-D455 PolarHBondContact NH2-OD1 3.49Å
262	F	98.9	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.2	-179.7	-68.1	-87.7	0	0	0	110.8	A71 Q72 Y73 L74 F85 V87 L161 F165 A260 I277 L282 W452	A71-F262 HydrophobicContact CB-CD2 4.21Å; A71-F262 HydrophobicContact CB-CE2 3.9Å; Q72-F262 PolarHBondContact O-N 3.2Å; Y73-F262 CarbonylContact C-O 3.04Å; Y73-F262 VanDerWaalsContact CA-O 3.29Å; Y73-F262 WeakPolarHBondContact CA-O 3.41Å; Y73-F262 HydrophobicContact CD2-CB 3.39Å; Y73-F262 HydrophobicContact CD2-CG 4.19Å; Y73-F262 HydrophobicContact CE2-CB 3.69Å; Y73-F262 HydrophobicContact CE2-CG 4.47Å; Y73-F262 HydrophobicContact CG-CB 4.05Å; L74-F262 PolarHBondContact N-O 3.28Å; F85-F262 AromaticContact CE2-CD1 3.89Å; F85-F262 HydrophobicContact CE2-CD1 3.89Å; F85-F262 AromaticContact CZ-CD1 3.98Å; F85-F262 HydrophobicContact CZ-CD1 3.98Å; F85-F262 HydrophobicContact CZ-CE1 4.31Å; V87-F262 HydrophobicContact CB-CD1 4.05Å; V87-F262 HydrophobicContact CB-CE1 4.11Å; V87-F262 HydrophobicContact CG2-CD1 3.9Å; V87-F262 HydrophobicContact CG2-CE1 3.69Å; V87-F262 HydrophobicContact CG2-CG 4.5Å; V87-F262 HydrophobicContact CG2-CZ 4.11Å; L161-F262 HydrophobicContact CD2-CE1 3.95Å; F165-F262 HydrophobicContact CE2-CE1 4.04Å; F165-F262 AromaticContact CE2-CZ 3.76Å; F165-F262 HydrophobicContact CE2-CZ 3.76Å; F165-F262 HydrophobicContact CZ-CE1 4.21Å; F165-F262 HydrophobicContact CZ-CE2 4.48Å; F165-F262 AromaticContact CZ-CZ 3.56Å; F165-F262 HydrophobicContact CZ-CZ 3.56Å; A260-F262 HydrophobicContact CB-CE2 3.97Å; A260-F262 HydrophobicContact CB-CZ 4.41Å; F262-I277 HydrophobicContact CD1-CD1 4.23Å; F262-I277 HydrophobicContact CD1-CG2 4.38Å; F262-I277 HydrophobicContact CE1-CG2 3.99Å; F262-I277 HydrophobicContact CZ-CG2 4.1Å; F262-L282 HydrophobicContact CE2-CD1 4.16Å; F262-L282 HydrophobicContact CE2-CD2 4.04Å; F262-L282 HydrophobicContact CZ-CD1 4.43Å; F262-L282 HydrophobicContact CZ-CD2 3.86Å; F262-L282 HydrophobicContact CZ-CG 4.45Å; F262-W452 VanDerWaalsContact O-CH2 3.32Å; F262-W452 WeakPolarHBondContact O-CH2 3.49Å
263	F	98.9	Very high	98.2	Very high	4 Å²	4	21 Å²	21	2%	0.018	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.9	178	179.9	-100.8	0	0	0	110.7	L74 A76 L84 F85 S86 L444 A445 I448 W452	L74-F263 HydrophobicContact CB-CD2 4.15Å; L74-F263 HydrophobicContact CD2-CD2 4Å; L74-F263 HydrophobicContact CD2-CE2 3.98Å; L74-F263 HydrophobicContact CG-CD2 4.11Å; L74-F263 HydrophobicContact CG-CE2 4.24Å; L74-F263 VanDerWaalsContact O-CA 3.32Å; L74-F263 WeakPolarHBondContact O-CA 3.34Å; L74-F263 WeakPolarHBondContact O-CD2 3.5Å; A76-F263 HydrophobicContact CB-CE2 4.12Å; A76-F263 HydrophobicContact CB-CZ 4.1Å; L84-F263 HydrophobicContact CD2-CD1 3.67Å; L84-F263 HydrophobicContact CD2-CE1 3.8Å; F85-F263 CarbonylContact C-O 3.59Å; F85-F263 WeakPolarHBondContact CA-O 3.34Å; S86-F263 PolarHBondContact N-O 3.21Å; S86-F263 PolarHBondContact O-N 3.2Å; S86-F263 WeakPolarHBondContact OG-CB 3.5Å; F263-L444 HydrophobicContact CZ-CB 4.14Å; F263-A445 HydrophobicContact CD1-CB 3.66Å; F263-A445 HydrophobicContact CE1-CB 3.81Å; F263-A445 HydrophobicContact CG-CB 4.36Å; F263-I448 HydrophobicContact CD2-CD1 3.94Å; F263-I448 HydrophobicContact CE2-CD1 4.07Å; F263-W452 HydrophobicContact CB-CZ3 4.26Å
264	T	98.9	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.6	165.2	50.1	0	0	0	0	111.7	Y73 L74 H75 A76 L84 F85 F153 H273	Y73-T264 WeakPolarHBondContact CE1-OG1 3.47Å; Y73-T264 WeakPolarHBondContact OH-CG2 3.4Å; Y73-T264 PolarHBondContact OH-OG1 3.49Å; L74-T264 PolarHBondContact O-N 3.19Å; H75-T264 CarbonylContact C-O 3.59Å; H75-T264 WeakPolarHBondContact CA-O 3.42Å; H75-T264 PolarHBondContact ND1-OG1 3.45Å; A76-T264 PolarHBondContact N-O 2.86Å; L84-T264 CarbonylContact O-C 3.37Å; L84-T264 VanDerWaalsContact O-CA 3.23Å; L84-T264 WeakPolarHBondContact O-CA 3.34Å; F85-T264 HydrophobicContact CB-CG2 4.32Å; F85-T264 HydrophobicContact CD2-CG2 3.84Å; F153-T264 HydrophobicContact CZ-CG2 4.2Å; T264-H273 HydrophobicContact CG2-CB 4.4Å
265	Y	98.6	Very high	98.2	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.7	-178.5	166.5	-89.9	0	0	0	110.6	A76 R78 D80 N83 L84 F440 G441 L444	A76-Y265 HydrophobicContact CB-CD2 3.96Å; A76-Y265 WeakPolarHBondContact O-CA 3.35Å; R78-Y265 HydrophobicContact CB-CE2 3.93Å; R78-Y265 VanDerWaalsContact CD-OH 3.28Å; R78-Y265 WeakPolarHBondContact CD-OH 3.3Å; R78-Y265 HydrophobicContact CG-CE2 4.36Å; R78-Y265 PolarHBondContact NE-OH 3.04Å; R78-Y265 VanDerWaalsContact NE-OH 3.09Å; D80-Y265 HydrophobicContact CB-CE1 3.98Å; D80-Y265 WeakPolarHBondContact CB-OH 3.47Å; D80-Y265 WeakPolarHBondContact OD2-CE1 3.37Å; D80-Y265 PolarHBondContact OD2-OH 3.41Å; N83-Y265 CarbonylContact C-O 3.55Å; N83-Y265 WeakPolarHBondContact CA-O 3.42Å; N83-Y265 PolarHBondContact OD1-O 2.73Å; L84-Y265 PolarHBondContact N-O 3.42Å; L84-Y265 PolarHBondContact O-N 3.36Å; Y265-F440 AromaticContact CE2-CD1 3.56Å; Y265-F440 HydrophobicContact CE2-CD1 3.56Å; Y265-F440 HydrophobicContact CE2-CE1 4.07Å; Y265-F440 AromaticContact CZ-CD1 3.65Å; Y265-F440 WeakPolarHBondContact OH-CD1 3.42Å; Y265-G441 VanDerWaalsContact CD1-CA 3.41Å; Y265-G441 VanDerWaalsContact CG-CA 3.47Å; Y265-L444 HydrophobicContact CD2-CD1 4.24Å; Y265-L444 HydrophobicContact CE2-CD1 4.33Å
266	G	96.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-156.9	169	0	0	0	0	0	113.5	A76 R78 D80 N83	A76-G266 PolarHBondContact O-N 2.95Å; R78-G266 PolarHBondContact N-O 2.88Å; R78-G266 VanDerWaalsContact N-O 3.08Å; R78-G266 CarbonylContact O-C 3.59Å; D80-G266 WeakPolarHBondContact O-CA 3.26Å; N83-G266 VanDerWaalsContact OD1-CA 3.31Å; N83-G266 WeakPolarHBondContact OD1-CA 3.27Å
267	D	96.3	Very high	98.2	Very high	69 Å²	69	20.9 Å²	20.9	37%	0.369	11%	0.11	S	C	.	.	S	Bend	trans	-100.8	-2.1	-173.8	67.3	-1.1	0	0	0	114.9	A30 R78 D80 S81 N83	A30-D267 HydrophobicContact CB-CB 4.13Å; R78-D267 WeakPolarHBondContact O-CA 3.3Å; R78-D267 PolarHBondContact O-N 3.2Å; D80-D267 PolarHBondContact O-N 2.87Å; S81-D267 WeakPolarHBondContact CA-OD2 3.49Å; N83-D267 PolarHBondContact ND2-OD1 3.02Å; N83-D267 PolarHBondContact OD1-N 3.23Å
268	L	97.1	Very high	98.3	Very high	37 Å²	37	22.6 Å²	22.6	19%	0.194	12%	0.118	C	C	.	.	S	Bend	trans	-73.2	144.3	175.4	-70	173.5	0	0	0	111.6	N83 F153 L270	N83-L268 HydrophobicContact CB-CD1 3.77Å; N83-L268 HydrophobicContact CB-CG 4.21Å; N83-L268 VanDerWaalsContact CG-CG 3.43Å; N83-L268 VanDerWaalsContact OD1-CB 3.31Å; N83-L268 WeakPolarHBondContact OD1-CB 3.39Å; N83-L268 WeakPolarHBondContact OD1-CG 3.23Å; N83-L268 PolarHBondContact OD1-N 3.25Å; F153-L268 HydrophobicContact CB-CD1 3.84Å; F153-L268 HydrophobicContact CD1-CD1 4.34Å; F153-L268 HydrophobicContact CD2-CD1 3.89Å; F153-L268 HydrophobicContact CG-CD1 3.76Å; L268-L270 PolarHBondContact O-N 3.39Å
269	P	97.2	Very high	98.2	Very high	57 Å²	57	27.2 Å²	27.2	37%	0.37	14%	0.137	S	C	.	.			trans	-62.1	127.7	-179.6	-23.4	33.3	0	0	0	113.3	E271 N272	P269-E271 VanDerWaalsContact C-N 3.3Å; P269-E271 PolarHBondContact O-N 3.32Å; P269-N272 PolarHBondContact O-N 3.05Å
270	L	98.1	Very high	98.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-39	-179.8	173.1	58.2	0	0	0	112.7	Y37 V62 L64 Y73 H75 L268 N272 H273 L274	Y37-L270 HydrophobicContact CE2-CD2 3.98Å; V62-L270 HydrophobicContact CG1-CD2 4.35Å; L64-L270 HydrophobicContact CD1-CD2 4.18Å; L64-L270 HydrophobicContact CD2-CD2 4.45Å; Y73-L270 HydrophobicContact CE1-CD1 3.76Å; H75-L270 HydrophobicContact CB-CD1 3.74Å; H75-L270 HydrophobicContact CB-CD2 3.98Å; H75-L270 HydrophobicContact CB-CG 4.41Å; L268-L270 PolarHBondContact O-N 3.39Å; L270-N272 PolarHBondContact O-N 3Å; L270-H273 WeakPolarHBondContact O-CB 3.4Å; L270-H273 PolarHBondContact O-N 2.92Å; L270-L274 HydrophobicContact CD1-CD1 4.04Å; L270-L274 HydrophobicContact CD1-CD2 3.99Å; L270-L274 HydrophobicContact CD1-CG 3.77Å; L270-L274 HydrophobicContact CD2-CD1 4.25Å; L270-L274 HydrophobicContact CG-CD1 3.8Å; L270-L274 HydrophobicContact CG-CG 4.01Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.38Å
271	E	98.1	Very high	98.2	Very high	63 Å²	63	29.3 Å²	29.3	29%	0.294	15%	0.147	S	C	.	.	H	α-helix	trans	-55.1	-41.3	-176.2	-67.7	78.9	-175.6	0	0	112.2	Y37 I43 H44 P269 H273 L274 Q275	Y37-E271 VanDerWaalsContact CE1-OE1 3.28Å; Y37-E271 WeakPolarHBondContact CE1-OE1 3.12Å; Y37-E271 VanDerWaalsContact CZ-OE1 3.3Å; Y37-E271 PolarHBondContact OH-OE1 3.34Å; Y37-E271 PolarHBondContact OH-OE2 3Å; I43-E271 HydrophobicContact CG2-CG 4.01Å; H44-E271 PolarHBondContact CD2-O 3.09Å; P269-E271 VanDerWaalsContact C-N 3.3Å; P269-E271 PolarHBondContact O-N 3.32Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.39Å; E271-L274 PolarHBondContact O-N 2.95Å; E271-Q275 WeakPolarHBondContact O-CB 3.32Å; E271-Q275 PolarHBondContact O-N 3.48Å
272	N	97.7	Very high	98.2	Very high	71 Å²	71	28.7 Å²	28.7	38%	0.38	14%	0.144	S	C	.	.	H	α-helix	trans	-64.3	-39.2	-179.4	-66.6	-25.4	0	0	0	111.3	P269 L270 Q276	P269-N272 PolarHBondContact O-N 3.05Å; L270-N272 PolarHBondContact O-N 3Å; N272-Q276 WeakPolarHBondContact O-CB 3.34Å; N272-Q276 PolarHBondContact O-N 3.05Å; N272-Q276 VanDerWaalsContact O-N 3.14Å
273	H	98.4	Very high	98.2	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-47.5	177.5	-53	-28.2	0	0	0	110.8	F153 T264 L270 E271 Q275 Q276 I277	F153-H273 AromaticContact CD1-CE1 3.59Å; F153-H273 AromaticContact CD1-ND1 3.84Å; F153-H273 AromaticContact CE1-CE1 3.2Å; F153-H273 WeakPolarHBondContact CE1-CE1 3.44Å; F153-H273 AromaticContact CE1-ND1 3.34Å; F153-H273 VanDerWaalsContact CE1-ND1 3.34Å; F153-H273 WeakPolarHBondContact CE1-ND1 3.31Å; F153-H273 AromaticContact CE1-NE2 3.84Å; F153-H273 AromaticContact CZ-CE1 3.74Å; F153-H273 AromaticContact CZ-NE2 3.94Å; T264-H273 HydrophobicContact CG2-CB 4.4Å; L270-H273 WeakPolarHBondContact O-CB 3.4Å; L270-H273 PolarHBondContact O-N 2.92Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.39Å; H273-Q275 VanDerWaalsContact C-N 3.34Å; H273-Q275 PolarHBondContact O-N 3.47Å; H273-Q276 PolarHBondContact O-N 2.87Å; H273-I277 WeakPolarHBondContact O-CB 3.46Å; H273-I277 WeakPolarHBondContact O-CD1 3.35Å; H273-I277 VanDerWaalsContact O-CG1 3.23Å; H273-I277 WeakPolarHBondContact O-CG1 3.45Å; H273-I277 PolarHBondContact O-N 3.04Å
274	L	98.8	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-43	179.4	-62.2	179.6	0	0	0	111.6	I43 H44 F46 L64 Y73 L270 E271 Q278	I43-L274 HydrophobicContact CB-CD1 4Å; I43-L274 HydrophobicContact CG2-CD1 3.73Å; H44-L274 HydrophobicContact CB-CB 4.22Å; F46-L274 HydrophobicContact CB-CD1 4.49Å; F46-L274 HydrophobicContact CD1-CD2 4.17Å; F46-L274 HydrophobicContact CD2-CB 4Å; F46-L274 HydrophobicContact CD2-CD2 3.85Å; F46-L274 HydrophobicContact CD2-CG 4.34Å; F46-L274 HydrophobicContact CE1-CD2 4.27Å; F46-L274 HydrophobicContact CE2-CB 4.16Å; F46-L274 HydrophobicContact CE2-CD2 3.97Å; F46-L274 HydrophobicContact CG-CD2 3.96Å; F46-L274 HydrophobicContact CZ-CD2 4.16Å; L64-L274 HydrophobicContact CD2-CD1 3.68Å; L64-L274 HydrophobicContact CD2-CD2 4.49Å; Y73-L274 HydrophobicContact CD1-CD2 4.38Å; Y73-L274 HydrophobicContact CD2-CD2 3.77Å; Y73-L274 HydrophobicContact CE1-CD2 4.23Å; Y73-L274 HydrophobicContact CE2-CD2 3.57Å; Y73-L274 HydrophobicContact CG-CD2 4.19Å; L270-L274 HydrophobicContact CD1-CD1 4.04Å; L270-L274 HydrophobicContact CD1-CD2 3.99Å; L270-L274 HydrophobicContact CD1-CG 3.77Å; L270-L274 HydrophobicContact CD2-CD1 4.25Å; L270-L274 HydrophobicContact CG-CD1 3.8Å; L270-L274 HydrophobicContact CG-CG 4.01Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.38Å; E271-L274 PolarHBondContact O-N 2.95Å; L274-Q278 VanDerWaalsContact O-CB 3.26Å; L274-Q278 WeakPolarHBondContact O-CB 3.46Å; L274-Q278 PolarHBondContact O-N 2.91Å
275	Q	98.8	Very high	98.1	Very high	68 Å²	68	38.4 Å²	38.4	32%	0.318	19%	0.193	S	C	.	.	H	α-helix	trans	-57.6	-52.1	176.3	-175.2	177.8	12.1	0	0	111.3	H44 E271 H273 Q278 E279	H44-Q275 HydrophobicContact CB-CB 4.36Å; E271-Q275 WeakPolarHBondContact O-CB 3.32Å; E271-Q275 PolarHBondContact O-N 3.48Å; H273-Q275 VanDerWaalsContact C-N 3.34Å; H273-Q275 PolarHBondContact O-N 3.47Å; Q275-Q278 PolarHBondContact O-N 3.28Å; Q275-E279 HydrophobicContact CG-CG 4.32Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.42Å; Q275-E279 PolarHBondContact NE2-OE1 3.13Å; Q275-E279 WeakPolarHBondContact O-CB 3.42Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 2.9Å
276	Q	98.7	Very high	98.1	Very high	23 Å²	23	43.8 Å²	43.8	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-43.3	-176.8	-169.6	178.8	-33.6	0	0	112	Q154 L157 S158 N272 H273 Q278 E279 E280	Q154-Q276 PolarHBondContact O-NE2 3.36Å; L157-Q276 HydrophobicContact CD2-CB 4.05Å; L157-Q276 HydrophobicContact CD2-CG 4.15Å; L157-Q276 HydrophobicContact CG-CG 4.45Å; S158-Q276 PolarHBondContact OG-NE2 2.97Å; N272-Q276 WeakPolarHBondContact O-CB 3.34Å; N272-Q276 PolarHBondContact O-N 3.05Å; N272-Q276 VanDerWaalsContact O-N 3.14Å; H273-Q276 PolarHBondContact O-N 2.87Å; Q276-Q278 VanDerWaalsContact C-N 3.27Å; Q276-Q278 PolarHBondContact O-N 2.82Å; Q276-E279 PolarHBondContact O-N 3.14Å; Q276-E280 HydrophobicContact CG-CG 3.99Å; Q276-E280 VanDerWaalsContact CG-OE2 3.29Å; Q276-E280 WeakPolarHBondContact CG-OE2 3.3Å; Q276-E280 PolarHBondContact NE2-OE2 3.43Å; Q276-E280 VanDerWaalsContact O-CB 3.31Å; Q276-E280 WeakPolarHBondContact O-CB 3.27Å; Q276-E280 WeakPolarHBondContact O-CG 3.2Å; Q276-E280 PolarHBondContact O-N 2.99Å
277	I	98.9	Very high	98.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-39.4	177.2	-69.5	165.1	0	0	0	110.9	F46 Y73 F85 L157 L161 F262 H273 A281 L282	F46-I277 HydrophobicContact CZ-CG2 4.01Å; Y73-I277 HydrophobicContact CE2-CD1 3.64Å; F85-I277 HydrophobicContact CE2-CD1 3.88Å; L157-I277 HydrophobicContact CD1-CD1 4.45Å; L157-I277 HydrophobicContact CD1-CG1 4.18Å; L157-I277 HydrophobicContact CD2-CG1 4.32Å; L161-I277 HydrophobicContact CD1-CB 4.44Å; L161-I277 HydrophobicContact CD1-CG1 3.89Å; L161-I277 HydrophobicContact CD2-CG1 4.16Å; F262-I277 HydrophobicContact CD1-CD1 4.23Å; F262-I277 HydrophobicContact CD1-CG2 4.38Å; F262-I277 HydrophobicContact CE1-CG2 3.99Å; F262-I277 HydrophobicContact CZ-CG2 4.1Å; H273-I277 WeakPolarHBondContact O-CB 3.46Å; H273-I277 WeakPolarHBondContact O-CD1 3.35Å; H273-I277 VanDerWaalsContact O-CG1 3.23Å; H273-I277 WeakPolarHBondContact O-CG1 3.45Å; H273-I277 PolarHBondContact O-N 3.04Å; I277-A281 PolarHBondContact O-N 2.83Å; I277-L282 HydrophobicContact CG2-CD1 3.66Å; I277-L282 HydrophobicContact CG2-CG 3.71Å; I277-L282 PolarHBondContact O-N 2.56Å
278	Q	98.6	Very high	98.2	Very high	35 Å²	35	52.9 Å²	52.9	16%	0.164	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-53.7	176.7	174.9	58.5	6.5	0	0	112.3	H44 F46 H66 L274 Q275 Q276 L282 C283	H44-Q278 WeakPolarHBondContact O-CB 3.24Å; H44-Q278 WeakPolarHBondContact O-CG 3.3Å; F46-Q278 HydrophobicContact CE2-CB 4.38Å; H66-Q278 PolarHBondContact CD2-OE1 3.33Å; H66-Q278 PolarHBondContact NE2-OE1 3.11Å; L274-Q278 VanDerWaalsContact O-CB 3.26Å; L274-Q278 WeakPolarHBondContact O-CB 3.46Å; L274-Q278 PolarHBondContact O-N 2.91Å; Q275-Q278 PolarHBondContact O-N 3.28Å; Q276-Q278 VanDerWaalsContact C-N 3.27Å; Q276-Q278 PolarHBondContact O-N 2.82Å; Q278-L282 PolarHBondContact O-N 2.83Å; Q278-C283 VanDerWaalsContact O-CB 3.27Å; Q278-C283 WeakPolarHBondContact O-CB 3.34Å; Q278-C283 PolarHBondContact O-N 3.14Å; Q278-C283 PolarHBondContact O-SG 3.17Å
279	E	98.4	Very high	98	Very high	118 Å²	118	56.6 Å²	56.6	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-71.8	-35.8	-171.9	-70.4	175.8	-176.3	0	0	112.7	Q275 Q276 C283	Q275-E279 HydrophobicContact CG-CG 4.32Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.42Å; Q275-E279 PolarHBondContact NE2-OE1 3.13Å; Q275-E279 WeakPolarHBondContact O-CB 3.42Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 2.9Å; Q276-E279 PolarHBondContact O-N 3.14Å; E279-C283 PolarHBondContact O-SG 2.88Å
280	E	98.6	Very high	97.4	Very high	47 Å²	47	54.7 Å²	54.7	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-89	-29.6	-175.1	-58.5	-164.1	135.9	0	0	113.2	K113 S158 L161 F166 Q276 K284	K113-E280 IonicContact NZ-OE1 3.49Å; K113-E280 PolarHBondContact NZ-OE1 3.24Å; S158-E280 VanDerWaalsContact CA-OE2 3.25Å; S158-E280 WeakPolarHBondContact CA-OE2 3.36Å; S158-E280 VanDerWaalsContact CB-OE2 3.27Å; S158-E280 WeakPolarHBondContact CB-OE2 3.47Å; S158-E280 VanDerWaalsContact OG-CD 3.27Å; S158-E280 PolarHBondContact OG-OE1 3.45Å; S158-E280 VanDerWaalsContact OG-OE1 3.05Å; S158-E280 PolarHBondContact OG-OE2 3.09Å; L161-E280 HydrophobicContact CD1-CB 4.5Å; F166-E280 WeakPolarHBondContact CE2-O 3.37Å; Q276-E280 HydrophobicContact CG-CG 3.99Å; Q276-E280 VanDerWaalsContact CG-OE2 3.29Å; Q276-E280 WeakPolarHBondContact CG-OE2 3.3Å; Q276-E280 PolarHBondContact NE2-OE2 3.43Å; Q276-E280 VanDerWaalsContact O-CB 3.31Å; Q276-E280 WeakPolarHBondContact O-CB 3.27Å; Q276-E280 WeakPolarHBondContact O-CG 3.2Å; Q276-E280 PolarHBondContact O-N 2.99Å; E280-K284 WeakPolarHBondContact O-CE 3.31Å; E280-K284 PolarHBondContact O-NZ 3.02Å
281	A	98.5	Very high	97.1	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-65.8	-174.4	0	0	0	0	0	114.4	L161 F165 F166 I277 C283 K284 F285	L161-A281 HydrophobicContact CD2-CB 4.42Å; F165-A281 HydrophobicContact CD2-CB 3.67Å; F165-A281 HydrophobicContact CE2-CB 4.17Å; F165-A281 HydrophobicContact CG-CB 4.25Å; F166-A281 HydrophobicContact CE2-CB 4.17Å; F166-A281 HydrophobicContact CZ-CB 4.48Å; I277-A281 PolarHBondContact O-N 2.83Å; A281-C283 VanDerWaalsContact C-N 3.33Å; A281-C283 PolarHBondContact O-N 2.88Å; A281-K284 PolarHBondContact O-N 3.46Å; A281-K284 VanDerWaalsContact O-N 3.17Å; A281-F285 WeakPolarHBondContact O-CD2 3.36Å
282	L	98.6	Very high	97	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-68.1	-26.8	-160.9	-61.7	-167.8	0	0	0	114.9	F46 H66 A71 F165 P257 F262 I277 Q278 K284 F285	F46-L282 HydrophobicContact CE1-CD1 4.07Å; F46-L282 HydrophobicContact CE2-CD1 4.38Å; F46-L282 HydrophobicContact CZ-CD1 3.51Å; H66-L282 HydrophobicContact CB-CD1 3.96Å; A71-L282 HydrophobicContact CB-CD1 4.32Å; F165-L282 HydrophobicContact CZ-CD2 4.45Å; P257-L282 HydrophobicContact CB-CD2 3.29Å; P257-L282 HydrophobicContact CG-CD2 4Å; F262-L282 HydrophobicContact CE2-CD1 4.16Å; F262-L282 HydrophobicContact CE2-CD2 4.04Å; F262-L282 HydrophobicContact CZ-CD1 4.43Å; F262-L282 HydrophobicContact CZ-CD2 3.86Å; F262-L282 HydrophobicContact CZ-CG 4.45Å; I277-L282 HydrophobicContact CG2-CD1 3.66Å; I277-L282 HydrophobicContact CG2-CG 3.71Å; I277-L282 PolarHBondContact O-N 2.56Å; Q278-L282 PolarHBondContact O-N 2.83Å; L282-K284 PolarHBondContact O-N 2.97Å; L282-K284 VanDerWaalsContact O-N 3.15Å; L282-F285 PolarHBondContact O-N 3.47Å
283	C	98	Very high	97	Very high	58 Å²	58	64.5 Å²	64.5	39%	0.392	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-64.9	-13.3	177.4	65.6	0	0	0	0	114.3	Q278 E279 A281	Q278-C283 VanDerWaalsContact O-CB 3.27Å; Q278-C283 WeakPolarHBondContact O-CB 3.34Å; Q278-C283 PolarHBondContact O-N 3.14Å; Q278-C283 PolarHBondContact O-SG 3.17Å; E279-C283 PolarHBondContact O-SG 2.88Å; A281-C283 VanDerWaalsContact C-N 3.33Å; A281-C283 PolarHBondContact O-N 2.88Å
284	K	98.3	Very high	97	Very high	111 Å²	111	64.4 Å²	64.4	48%	0.483	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-88.8	0.9	-179.6	-52.5	-172.4	-158	160.3	0	113.7	F166 E280 A281 L282	F166-K284 HydrophobicContact CE1-CD 3.89Å; F166-K284 HydrophobicContact CE2-CD 4.26Å; F166-K284 VanDerWaalsContact CE2-NZ 3.28Å; F166-K284 HydrophobicContact CZ-CB 4.41Å; F166-K284 HydrophobicContact CZ-CD 3.55Å; F166-K284 HydrophobicContact CZ-CG 4.35Å; E280-K284 WeakPolarHBondContact O-CE 3.31Å; E280-K284 PolarHBondContact O-NZ 3.02Å; A281-K284 PolarHBondContact O-N 3.46Å; A281-K284 VanDerWaalsContact O-N 3.17Å; L282-K284 PolarHBondContact O-N 2.97Å; L282-K284 VanDerWaalsContact O-N 3.15Å
285	F	98.5	Very high	97	Very high	40 Å²	40	67.7 Å²	67.7	18%	0.175	32%	0.321	C	S	.	.			trans	-127.3	146.5	-172.6	-63.1	-89.5	0	0	0	112.3	Q68 T69 F165 F166 H256 P257 A281 L282	Q68-F285 PolarHBondContact NE2-O 3.16Å; T69-F285 HydrophobicContact CG2-CB 3.8Å; T69-F285 WeakPolarHBondContact CG2-O 3.14Å; F165-F285 HydrophobicContact CB-CE2 4.45Å; F165-F285 HydrophobicContact CB-CZ 4.41Å; F165-F285 HydrophobicContact CD1-CE2 4.24Å; F165-F285 HydrophobicContact CD1-CZ 4.23Å; F166-F285 AromaticContact CE1-CE2 3.72Å; F166-F285 HydrophobicContact CE1-CE2 3.72Å; F166-F285 AromaticContact CE1-CZ 3.64Å; F166-F285 HydrophobicContact CE1-CZ 3.64Å; F166-F285 AromaticContact CZ-CE2 3.63Å; F166-F285 HydrophobicContact CZ-CE2 3.63Å; F166-F285 HydrophobicContact CZ-CZ 4.03Å; H256-F285 AromaticContact CD2-CD1 3.57Å; H256-F285 AromaticContact NE2-CD1 3.47Å; H256-F285 WeakPolarHBondContact NE2-CD1 3.44Å; P257-F285 HydrophobicContact CG-CB 3.6Å; P257-F285 HydrophobicContact CG-CD1 4.08Å; P257-F285 HydrophobicContact CG-CD2 3.69Å; P257-F285 HydrophobicContact CG-CE2 4.33Å; P257-F285 HydrophobicContact CG-CG 3.53Å; A281-F285 WeakPolarHBondContact O-CD2 3.36Å; L282-F285 PolarHBondContact O-N 3.47Å
286	D	97.8	Very high	96.9	Very high	114 Å²	114	67.6 Å²	67.6	61%	0.61	33%	0.328	S	S	*	.			trans	-101.6	156.7	166.3	-70.1	-44.9	0	0	0	110.5	Q68 H256 I288	Q68-D286 PolarHBondContact NE2-OD1 3.15Å; H256-D286 PolarHBondContact CE1-O 3.31Å; H256-D286 PolarHBondContact NE2-O 3.43Å; D286-I288 PolarHBondContact O-N 3.21Å
287	R	97.9	Very high	96.9	Very high	184 Å²	184	67.2 Å²	67.2	69%	0.694	33%	0.326	S	S	*	.			trans	-62.2	133.9	178.2	-175.2	167.6	-172.3	-177.3	2.1	112	Q68 T69	Q68-R287 VanDerWaalsContact O-CB 3.29Å; Q68-R287 WeakPolarHBondContact O-CB 3.34Å; Q68-R287 PolarHBondContact O-N 2.88Å; T69-R287 WeakPolarHBondContact O-CG 3.49Å
288	I	97	Very high	96.8	Very high	76 Å²	76	70.8 Å²	70.8	39%	0.39	35%	0.349	S	S	.	.			trans	-121.1	166.7	169.3	73	175.1	0	0	0	111.1	H256 S258 D286 A290	H256-I288 HydrophobicContact CB-CD1 3.66Å; H256-I288 HydrophobicContact CB-CG1 4.44Å; H256-I288 WeakPolarHBondContact ND1-CG1 3.42Å; S258-I288 PolarHBondContact OG-N 3.11Å; D286-I288 PolarHBondContact O-N 3.21Å; I288-A290 HydrophobicContact CD1-CB 4.44Å
289	N	93.1	Very high	96.7	Very high	114 Å²	114	75 Å²	75	61%	0.61	37%	0.369	S	S	*	.			trans	-95.7	106.5	157.6	-178	-11.6	0	0	0	108.1	R291	N289-R291 PolarHBondContact O-N 2.84Å; N289-R291 PolarHBondContact OD1-N 3.37Å
290	A	84.8	Confident	96.7	Very high	18 Å²	18	70 Å²	70	15%	0.149	35%	0.345	C	S	.	.			trans	-68.2	-19.4	-172.5	0	0	0	0	0	113.8	N259 I288 T292	N259-A290 HydrophobicContact CB-CB 3.82Å; I288-A290 HydrophobicContact CD1-CB 4.44Å; A290-T292 HydrophobicContact CB-CG2 3.96Å; A290-T292 PolarHBondContact O-N 3.33Å
291	R	91.5	Very high	96.6	Very high	219 Å²	219	73.3 Å²	73.3	83%	0.826	37%	0.373	S	S	*	.			trans	50.7	36.6	-178	-57.7	-176.9	-177.8	-172.9	0.6	114	N289	N289-R291 PolarHBondContact O-N 2.84Å; N289-R291 PolarHBondContact OD1-N 3.37Å
292	T	97.1	Very high	96.5	Very high	1 Å²	1	76.4 Å²	76.4	1%	0.006	40%	0.395	C	S	.	.			trans	-99.4	12	179.4	55	0	0	0	0	112.9	R90 T92 N259 A290	R90-T292 VanDerWaalsContact CD-O 3.31Å; R90-T292 WeakPolarHBondContact CD-O 3.33Å; R90-T292 PolarHBondContact NE-O 3.33Å; R90-T292 PolarHBondContact NE-OG1 3.05Å; R90-T292 VanDerWaalsContact NE-OG1 3.1Å; R90-T292 PolarHBondContact NH2-OG1 3.43Å; T92-T292 WeakPolarHBondContact CG2-O 3.2Å; N259-T292 PolarHBondContact OD1-OG1 3.15Å; A290-T292 HydrophobicContact CB-CG2 3.96Å; A290-T292 PolarHBondContact O-N 3.33Å
293	E	96.8	Very high	96.5	Very high	121 Å²	121	78.9 Å²	78.9	57%	0.565	41%	0.411	S	S	*	.			trans	-64.4	139.6	-174.1	-68	168.6	-164.8	0	0	111.4
294	V	98.3	Very high	96.5	Very high	6 Å²	6	81.7 Å²	81.7	4%	0.036	41%	0.413	C	S	.	.			trans	-91.1	114.3	170.4	-178.9	0	0	0	0	107.8	T92 D139 T227 Y228 K382	T92-V294 HydrophobicContact CG2-CG2 3.56Å; D139-V294 HydrophobicContact CB-CG2 4.36Å; T227-V294 HydrophobicContact CG2-CG1 4.35Å; T227-V294 HydrophobicContact CG2-CG2 4.06Å; Y228-V294 HydrophobicContact CE2-CG1 3.84Å; V294-K382 HydrophobicContact CB-CD 4.43Å; V294-K382 HydrophobicContact CG1-CB 4.44Å; V294-K382 HydrophobicContact CG1-CD 4.32Å; V294-K382 WeakPolarHBondContact O-CD 3.42Å; V294-K382 PolarHBondContact O-NZ 3.24Å
295	P	97.8	Very high	96.5	Very high	68 Å²	68	81.9 Å²	81.9	44%	0.442	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-68.1	157.2	175.9	32.3	-34.7	0	0	0	109.6	H226	H226-P295 HydrophobicContact CB-CG 4.28Å; H226-P295 WeakPolarHBondContact CD2-CD 3.42Å; H226-P295 WeakPolarHBondContact CD2-CG 3.32Å; H226-P295 WeakPolarHBondContact CE1-CD 3.34Å; H226-P295 WeakPolarHBondContact NE2-CD 3.49Å
296	S	97.8	Very high	96.5	Very high	66 Å²	66	83.1 Å²	83.1	46%	0.462	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-70.9	140.3	174.9	-69.4	0	0	0	0	111.7	P298 K382 E383	S296-P298 VanDerWaalsContact O-CD 3.24Å; S296-P298 WeakPolarHBondContact O-CD 3.41Å; S296-K382 PolarHBondContact OG-NZ 3.29Å; S296-E383 WeakPolarHBondContact CA-OE1 3.5Å; S296-E383 WeakPolarHBondContact CB-OE1 3.46Å; S296-E383 PolarHBondContact OG-OE1 3.35Å
297	Q	97.9	Very high	96.5	Very high	15 Å²	15	82.1 Å²	82.1	7%	0.07	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-64.4	119.5	176.3	175.9	56.3	54.8	0	0	110.7	Y223 D225 H299 L330 E383	Y223-Q297 HydrophobicContact CD1-CB 4.32Å; Y223-Q297 HydrophobicContact CD1-CG 4.38Å; D225-Q297 PolarHBondContact OD2-NE2 2.93Å; Q297-H299 PolarHBondContact O-N 2.88Å; Q297-L330 HydrophobicContact CB-CD2 4.22Å; Q297-L330 HydrophobicContact CG-CD1 4.46Å; Q297-L330 HydrophobicContact CG-CD2 3.91Å; Q297-E383 PolarHBondContact N-OE2 2.8Å
298	P	97.1	Very high	96.4	Very high	76 Å²	76	74 Å²	74	49%	0.494	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-59.5	132.3	170.8	-23.7	33.4	0	0	0	111.8	D225 S296 H495	D225-P298 VanDerWaalsContact OD2-CD 3.3Å; D225-P298 WeakPolarHBondContact OD2-CD 3.35Å; S296-P298 VanDerWaalsContact O-CD 3.24Å; S296-P298 WeakPolarHBondContact O-CD 3.41Å; P298-H495 PolarHBondContact O-CE1 3.43Å; P298-H495 PolarHBondContact O-ND1 2.87Å
299	H	96.2	Very high	96.4	Very high	123 Å²	123	72.8 Å²	72.8	57%	0.569	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-66.8	134.7	176.2	-79.5	-96.4	0	0	0	111.7	Q297 H495	Q297-H299 PolarHBondContact O-N 2.88Å; H299-H495 WeakPolarHBondContact CA-ND1 3.43Å
300	W	98.2	Very high	96.4	Very high	13 Å²	13	67.6 Å²	67.6	5%	0.049	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-70.5	145.9	173.2	-58.7	-18.3	0	0	0	112.1	K221 L222 P224 S302 R304 T494 H495 L497	K221-W300 WeakPolarHBondContact O-CH2 3.49Å; K221-W300 VanDerWaalsContact O-CZ2 3.31Å; K221-W300 WeakPolarHBondContact O-CZ2 3.32Å; L222-W300 HydrophobicContact CD1-CH2 4.27Å; P224-W300 HydrophobicContact CG-CZ2 4.12Å; W300-S302 VanDerWaalsContact C-N 3.31Å; W300-R304 HydrophobicContact CD2-CG 4.15Å; W300-R304 HydrophobicContact CE3-CB 4.18Å; W300-R304 HydrophobicContact CE3-CG 3.69Å; W300-R304 HydrophobicContact CH2-CB 4.32Å; W300-R304 HydrophobicContact CH2-CG 4.31Å; W300-R304 HydrophobicContact CZ3-CB 3.8Å; W300-R304 HydrophobicContact CZ3-CG 3.78Å; W300-T494 WeakPolarHBondContact O-CB 3.41Å; W300-T494 PolarHBondContact O-OG1 2.68Å; W300-H495 HydrophobicContact CB-CB 4.47Å; W300-H495 AromaticContact CD1-CE1 3.43Å; W300-H495 VanDerWaalsContact CD1-CE1 3.43Å; W300-H495 AromaticContact CD1-ND1 3.54Å; W300-H495 AromaticContact CD2-CD2 3.77Å; W300-H495 AromaticContact CD2-CE1 3.61Å; W300-H495 AromaticContact CD2-CG 3.84Å; W300-H495 AromaticContact CD2-ND1 3.71Å; W300-H495 AromaticContact CD2-NE2 3.64Å; W300-H495 AromaticContact CE2-CD2 3.94Å; W300-H495 AromaticContact CE2-CE1 3.34Å; W300-H495 AromaticContact CE2-ND1 3.94Å; W300-H495 AromaticContact CE2-NE2 3.32Å; W300-H495 VanDerWaalsContact CE2-NE2 3.32Å; W300-H495 AromaticContact CE3-CD2 3.78Å; W300-H495 AromaticContact CG-CE1 3.69Å; W300-H495 AromaticContact CG-CG 3.97Å; W300-H495 AromaticContact CG-ND1 3.49Å; W300-H495 AromaticContact CH2-NE2 3.87Å; W300-H495 AromaticContact CZ2-CE1 3.93Å; W300-H495 AromaticContact CZ2-NE2 3.46Å; W300-H495 WeakPolarHBondContact CZ2-NE2 3.28Å; W300-H495 AromaticContact CZ3-CD2 3.97Å; W300-H495 PolarHBondContact N-ND1 2.83Å; W300-H495 AromaticContact NE1-CE1 3.21Å; W300-H495 PolarHBondContact NE1-CE1 3.37Å; W300-H495 AromaticContact NE1-ND1 3.81Å; W300-H495 AromaticContact NE1-NE2 3.7Å; W300-L497 HydrophobicContact CH2-CB 4.17Å; W300-L497 HydrophobicContact CH2-CD1 4.49Å; W300-L497 HydrophobicContact CZ3-CB 4.1Å
301	S	96.6	Very high	96.6	Very high	116 Å²	116	67.5 Å²	67.5	81%	0.811	35%	0.354	S	S	*	.	S	Bend	trans	-77.1	-16.3	173.4	56.5	0	0	0	0	113.7
302	S	97.7	Very high	96.4	Very high	66 Å²	66	58.1 Å²	58.1	46%	0.462	32%	0.321	S	S	.	.	S	Bend	trans	-153.5	149.1	-179.4	58.5	0	0	0	0	110.9	W300 T494	W300-S302 VanDerWaalsContact C-N 3.31Å; S302-T494 CarbonylContact C-O 3.58Å; S302-T494 VanDerWaalsContact C-O 3.23Å
303	P	98.2	Very high	95.9	Very high	52 Å²	52	60.1 Å²	60.1	34%	0.338	33%	0.332	S	S	.	.			trans	-56.6	154.5	173.4	-26.5	35.8	0	0	0	113	T494 R496	P303-T494 WeakPolarHBondContact CA-O 3.14Å; P303-T494 VanDerWaalsContact N-O 3.15Å; P303-R496 CarbonylContact C-O 3.23Å; P303-R496 VanDerWaalsContact CA-O 3.28Å; P303-R496 WeakPolarHBondContact CA-O 3.36Å; P303-R496 HydrophobicContact CB-CB 4.17Å; P303-R496 HydrophobicContact CG-CB 4.36Å
304	R	98.4	Very high	95	Very high	117 Å²	117	57.6 Å²	57.6	44%	0.442	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152	176.6	-60.7	-176.8	-175.5	-178	1.3	110.5	W300 R496 L497 T498	W300-R304 HydrophobicContact CD2-CG 4.15Å; W300-R304 HydrophobicContact CE3-CB 4.18Å; W300-R304 HydrophobicContact CE3-CG 3.69Å; W300-R304 HydrophobicContact CH2-CB 4.32Å; W300-R304 HydrophobicContact CH2-CG 4.31Å; W300-R304 HydrophobicContact CZ3-CB 3.8Å; W300-R304 HydrophobicContact CZ3-CG 3.78Å; R304-R496 PolarHBondContact N-O 3Å; R304-L497 HydrophobicContact CB-CD1 4.3Å; R304-L497 CarbonylContact O-C 3.2Å; R304-L497 WeakPolarHBondContact O-CA 3.41Å; R304-T498 PolarHBondContact O-N 3.09Å
305	E	98.2	Very high	94.1	Very high	114 Å²	114	58.3 Å²	58.3	53%	0.533	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.2	172.5	-50.7	-161.3	-177.2	0	0	109.4	K402 T498	E305-K402 WeakPolarHBondContact OE1-CE 3.31Å; E305-K402 IonicContact OE1-NZ 2.72Å; E305-K402 PolarHBondContact OE1-NZ 2.81Å; E305-K402 IonicContact OE2-NZ 2.73Å; E305-K402 PolarHBondContact OE2-NZ 3.49Å; E305-T498 CarbonylContact C-O 3.51Å; E305-T498 VanDerWaalsContact CA-O 3.27Å; E305-T498 WeakPolarHBondContact CA-O 3.24Å
306	D	98.1	Very high	93.3	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.353	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.5	-178	-148.4	-47.8	0	0	0	111.3	K221 L497 T498 L499 R500	K221-D306 HydrophobicContact CD-CB 3.91Å; K221-D306 WeakPolarHBondContact CD-OD2 3.48Å; K221-D306 IonicContact NZ-OD1 3.7Å; K221-D306 PolarHBondContact NZ-OD1 3.26Å; K221-D306 IonicContact NZ-OD2 3.35Å; K221-D306 PolarHBondContact NZ-OD2 2.89Å; D306-L497 HydrophobicContact CB-CD1 4.37Å; D306-T498 PolarHBondContact N-O 2.94Å; D306-L499 HydrophobicContact CB-CD1 4.14Å; D306-R500 PolarHBondContact O-N 3.07Å
307	H	97.5	Very high	92.4	Very high	93 Å²	93	52.2 Å²	52.2	43%	0.431	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	132.9	-175.2	179.5	-132	0	0	0	111.1	R500 S502	H307-R500 WeakPolarHBondContact CA-O 3.43Å; H307-R500 PolarHBondContact CD2-O 2.97Å; H307-S502 PolarHBondContact NE2-OG 2.94Å
308	V	96.9	Very high	91.6	Very high	15 Å²	15	53.7 Å²	53.7	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	167.2	175	-61.5	0	0	0	0	110.7	H217 L499 R500 M501 S502	H217-V308 HydrophobicContact CB-CG1 4.2Å; V308-L499 HydrophobicContact CG1-CD1 4.17Å; V308-L499 HydrophobicContact CG2-CD1 4.19Å; V308-R500 PolarHBondContact N-O 3.49Å; V308-M501 HydrophobicContact CG2-CB 3.75Å; V308-M501 HydrophobicContact CG2-CG 3.85Å; V308-M501 HydrophobicContact CG2-SD 4.23Å; V308-M501 VanDerWaalsContact O-CA 3.28Å; V308-M501 WeakPolarHBondContact O-CA 3.31Å; V308-S502 PolarHBondContact O-N 2.82Å; V308-S502 VanDerWaalsContact O-N 3.14Å
309	T	96.1	Very high	90.8	Very high	49 Å²	49	53.9 Å²	53.9	30%	0.301	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.5	177.8	57	0	0	0	0	111.8	S502 D504 F507	T309-S502 CarbonylContact C-O 3.4Å; T309-S502 WeakPolarHBondContact CA-O 3.1Å; T309-D504 HydrophobicContact CG2-CB 4.14Å; T309-F507 WeakPolarHBondContact O-CE2 3.38Å
310	C	93.3	Very high	90.2	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	172.6	174.8	67	0	0	0	0	111.3	L213 M501 S502 P503 D504	L213-C310 HydrophobicContact CD2-CB 4.17Å; C310-M501 HydrophobicContact CB-CE 4.11Å; C310-M501 HydrophobicContact CB-CG 3.97Å; C310-M501 HydrophobicContact CB-SD 3.67Å; C310-S502 PolarHBondContact N-O 3.05Å; C310-P503 CarbonylContact O-C 3.52Å; C310-P503 WeakPolarHBondContact O-CA 3.04Å; C310-D504 PolarHBondContact O-N 3.47Å
311	S	89.8	Confident	89.8	Confident	15 Å²	15	55.5 Å²	55.5	11%	0.105	32%	0.319	C	S	.	.			trans	-65.6	144.4	168.7	-173.1	0	0	0	0	110.4
312	P	87.4	Confident	89.6	Confident	23 Å²	23	51.6 Å²	51.6	15%	0.149	29%	0.288	C	S	.	.			trans	-62.9	144.3	168	-16.3	29.3	0	0	0	110.9	P503 D504 E505	P312-P503 HydrophobicContact CB-CB 4.17Å; P312-P503 HydrophobicContact CG-CB 4.25Å; P312-D504 WeakPolarHBondContact CD-O 3.43Å; P312-E505 HydrophobicContact CG-CG 4.37Å
313	D	84.8	Confident	89.5	Confident	42 Å²	42	49 Å²	49	23%	0.225	27%	0.27	C	S	.	.			trans	-98.1	110.8	173.5	178.3	12.5	0	0	0	110.3	L315 A316 Q322	D313-L315 PolarHBondContact O-N 3.17Å; D313-L315 WeakPolarHBondContact OD1-CA 3.39Å; D313-L315 PolarHBondContact OD1-N 3.28Å; D313-A316 HydrophobicContact CB-CB 4.08Å; D313-A316 VanDerWaalsContact CG-N 3.29Å; D313-A316 WeakPolarHBondContact O-CB 3.43Å; D313-A316 PolarHBondContact O-N 3.38Å; D313-A316 PolarHBondContact OD1-N 3.5Å; D313-A316 WeakPolarHBondContact OD2-CA 3.42Å; D313-A316 PolarHBondContact OD2-N 2.69Å; D313-A316 VanDerWaalsContact OD2-N 3.14Å; D313-Q322 PolarHBondContact O-NE2 3.29Å
314	A	78.3	Confident	89.4	Confident	69 Å²	69	47.2 Å²	47.2	57%	0.57	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.8	177.1	0	0	0	0	0	113	K746	A314-K746 PolarHBondContact O-NZ 3.06Å
315	L	80.6	Confident	89.4	Confident	20 Å²	20	41.7 Å²	41.7	11%	0.105	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	6.8	179.9	-62.7	176.8	0	0	0	113.2	D313 A707 I710 M739 V742 K746 M847	D313-L315 PolarHBondContact O-N 3.17Å; D313-L315 WeakPolarHBondContact OD1-CA 3.39Å; D313-L315 PolarHBondContact OD1-N 3.28Å; L315-A707 HydrophobicContact CB-CB 4.18Å; L315-I710 HydrophobicContact CD1-CD1 3.21Å; L315-M739 HydrophobicContact CD1-CE 4.13Å; L315-V742 HydrophobicContact CD1-CG1 4.44Å; L315-K746 VanDerWaalsContact C-CE 3.48Å; L315-K746 HydrophobicContact CD2-CD 4.31Å; L315-K746 WeakPolarHBondContact O-CD 3.14Å; L315-K746 WeakPolarHBondContact O-CE 3.43Å; L315-M847 HydrophobicContact CD1-CE 3.88Å
316	A	81.5	Confident	89.4	Confident	4 Å²	4	36.2 Å²	36.2	3%	0.033	21%	0.211	C	C	.	.			trans	-53.7	135.9	175.7	0	0	0	0	0	111.6	D313 D318 Q322 K746	D313-A316 HydrophobicContact CB-CB 4.08Å; D313-A316 VanDerWaalsContact CG-N 3.29Å; D313-A316 WeakPolarHBondContact O-CB 3.43Å; D313-A316 PolarHBondContact O-N 3.38Å; D313-A316 PolarHBondContact OD1-N 3.5Å; D313-A316 WeakPolarHBondContact OD2-CA 3.42Å; D313-A316 PolarHBondContact OD2-N 2.69Å; D313-A316 VanDerWaalsContact OD2-N 3.14Å; A316-D318 PolarHBondContact O-N 2.54Å; A316-Q322 HydrophobicContact CB-CG 3.87Å; A316-K746 WeakPolarHBondContact O-CE 3.31Å
317	P	78.8	Confident	89.4	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.019	19%	0.194	C	C	.	.	S	Bend	trans	-56.6	-35.1	179.4	-26.6	35	0	0	0	114.1	M700 A703 Q704 A749 E750	P317-M700 HydrophobicContact CB-CE 3.66Å; P317-M700 HydrophobicContact CB-SD 3.99Å; P317-A703 HydrophobicContact CB-CB 4.35Å; P317-A703 HydrophobicContact CG-CB 3.91Å; P317-Q704 VanDerWaalsContact CD-OE1 3.26Å; P317-Q704 HydrophobicContact CG-CB 4.15Å; P317-A749 HydrophobicContact CB-CB 3.97Å; P317-E750 WeakPolarHBondContact O-CG 3.27Å
318	D	81.2	Confident	89.5	Confident	45 Å²	45	28.7 Å²	28.7	24%	0.241	17%	0.174	C	C	.	.	S	Bend	trans	-129.2	108.2	172.9	-178.1	-19.7	0	0	0	109	A316 T320 K321	A316-D318 PolarHBondContact O-N 2.54Å; D318-T320 PolarHBondContact O-N 3.05Å; D318-T320 VanDerWaalsContact O-N 3.09Å; D318-T320 WeakPolarHBondContact OD1-CA 3.28Å; D318-T320 WeakPolarHBondContact OD1-CB 3.4Å; D318-T320 PolarHBondContact OD1-N 2.9Å; D318-T320 PolarHBondContact OD1-OG1 2.85Å; D318-K321 HydrophobicContact CB-CB 4.06Å; D318-K321 HydrophobicContact CB-CD 4.44Å; D318-K321 HydrophobicContact CB-CG 4.32Å; D318-K321 CarbonylContact O-C 3.53Å; D318-K321 PolarHBondContact O-N 2.99Å; D318-K321 VanDerWaalsContact OD2-CD 3.29Å; D318-K321 WeakPolarHBondContact OD2-CD 3.47Å; D318-K321 WeakPolarHBondContact OD2-CE 3.33Å; D318-K321 WeakPolarHBondContact OD2-CG 3.39Å
319	P	78.9	Confident	89.6	Confident	81 Å²	81	28 Å²	28	53%	0.526	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	-179.3	-25.9	35	0	0	0	114.6
320	T	84.3	Confident	89.7	Confident	112 Å²	112	25.7 Å²	25.7	69%	0.687	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.4	178.3	71	0	0	0	0	113.1	D318	D318-T320 PolarHBondContact O-N 3.05Å; D318-T320 VanDerWaalsContact O-N 3.09Å; D318-T320 WeakPolarHBondContact OD1-CA 3.28Å; D318-T320 WeakPolarHBondContact OD1-CB 3.4Å; D318-T320 PolarHBondContact OD1-N 2.9Å; D318-T320 PolarHBondContact OD1-OG1 2.85Å
321	K	89.6	Confident	89.9	Confident	57 Å²	57	25.5 Å²	25.5	25%	0.248	15%	0.154	C	C	.	.			trans	-128.6	89.6	-176.9	-60.4	-172.1	-178.5	-173.3	0	111.2	D318 G392 M393 A394	D318-K321 HydrophobicContact CB-CB 4.06Å; D318-K321 HydrophobicContact CB-CD 4.44Å; D318-K321 HydrophobicContact CB-CG 4.32Å; D318-K321 CarbonylContact O-C 3.53Å; D318-K321 PolarHBondContact O-N 2.99Å; D318-K321 VanDerWaalsContact OD2-CD 3.29Å; D318-K321 WeakPolarHBondContact OD2-CD 3.47Å; D318-K321 WeakPolarHBondContact OD2-CE 3.33Å; D318-K321 WeakPolarHBondContact OD2-CG 3.39Å; K321-G392 WeakPolarHBondContact CB-O 3.49Å; K321-G392 CarbonylContact O-C 3.31Å; K321-G392 WeakPolarHBondContact O-CA 3.37Å; K321-M393 WeakPolarHBondContact CA-O 3.3Å; K321-A394 HydrophobicContact CD-CB 4.48Å; K321-A394 HydrophobicContact CG-CB 4.06Å
322	Q	92.4	Very high	90.2	Very high	34 Å²	34	25.8 Å²	25.8	16%	0.159	16%	0.16	C	C	.	.			trans	-129.3	7.8	179.2	-61.3	-169.1	18.2	0	0	113.1	D313 A316 M393 P503	D313-Q322 PolarHBondContact O-NE2 3.29Å; A316-Q322 HydrophobicContact CB-CG 3.87Å; Q322-M393 PolarHBondContact N-O 3.4Å; Q322-P503 HydrophobicContact CB-CB 4.48Å; Q322-P503 HydrophobicContact CB-CG 3.9Å
323	N	95.4	Very high	90.7	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149.9	176.8	-64.2	-84.1	0	0	0	110.2	Q391 G392 M393 E395 M501 S502	N323-Q391 CarbonylContact O-C 3.5Å; N323-G392 PolarHBondContact O-N 2.92Å; N323-M393 HydrophobicContact CB-CG 3.79Å; N323-M393 WeakPolarHBondContact CB-O 3.35Å; N323-M393 PolarHBondContact N-O 2.93Å; N323-M393 VanDerWaalsContact N-O 3.16Å; N323-M393 PolarHBondContact ND2-O 3.48Å; N323-M393 WeakPolarHBondContact O-CG 3.18Å; N323-M393 PolarHBondContact O-N 3.21Å; N323-E395 PolarHBondContact ND2-N 3.42Å; N323-E395 PolarHBondContact ND2-OE2 2.86Å; N323-E395 PolarHBondContact OD1-OE2 3.44Å; N323-E395 VanDerWaalsContact OD1-OE2 3.09Å; N323-M501 WeakPolarHBondContact CA-O 3.37Å; N323-S502 VanDerWaalsContact OD1-CB 3.23Å; N323-S502 WeakPolarHBondContact OD1-CB 3.42Å; N323-S502 PolarHBondContact OD1-OG 3.17Å
324	T	96.9	Very high	91.3	Very high	13 Å²	13	25.4 Å²	25.4	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.7	171.8	-59	0	0	0	0	109.3	Y214 L390 Q391 R500 M501	Y214-T324 HydrophobicContact CD2-CG2 3.97Å; Y214-T324 HydrophobicContact CE1-CG2 4.38Å; Y214-T324 HydrophobicContact CE2-CG2 3.75Å; Y214-T324 HydrophobicContact CG-CG2 4.38Å; T324-L390 WeakPolarHBondContact CA-O 3.3Å; T324-Q391 HydrophobicContact CG2-CB 4.15Å; T324-R500 CarbonylContact O-C 3.56Å; T324-R500 WeakPolarHBondContact O-CA 3.42Å; T324-M501 PolarHBondContact N-O 3.22Å; T324-M501 PolarHBondContact O-N 3.44Å
325	L	97.8	Very high	92.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.6	179.9	179.6	78.1	0	0	0	110.4	G389 L390 M393 T398 V401 K402 T498 L499 R500	L325-G389 CarbonylContact O-C 3.54Å; L325-G389 WeakPolarHBondContact O-CA 3.24Å; L325-L390 PolarHBondContact N-O 3.32Å; L325-L390 PolarHBondContact O-N 2.98Å; L325-M393 HydrophobicContact CB-CE 3.83Å; L325-M393 HydrophobicContact CB-SD 3.8Å; L325-M393 HydrophobicContact CD2-SD 4.41Å; L325-T398 HydrophobicContact CD1-CG2 4.06Å; L325-T398 HydrophobicContact CD2-CG2 3.95Å; L325-T398 WeakPolarHBondContact CD2-O 3.44Å; L325-V401 HydrophobicContact CD2-CB 3.95Å; L325-V401 HydrophobicContact CD2-CG1 3.89Å; L325-K402 HydrophobicContact CD2-CG 4.1Å; L325-T498 HydrophobicContact CD1-CG2 3.66Å; L325-L499 WeakPolarHBondContact CA-O 3.47Å; L325-R500 HydrophobicContact CD1-CB 3.88Å; L325-R500 HydrophobicContact CD1-CG 4.35Å
326	C	97.6	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.2	171.9	-59.3	0	0	0	0	112	Y214 L218 S372 V374 I388 T498 L499	Y214-C326 HydrophobicContact CE1-CB 4.17Å; Y214-C326 VanDerWaalsContact CE1-SG 3.56Å; Y214-C326 WeakPolarHBondContact OH-CB 3.37Å; Y214-C326 PolarHBondContact OH-N 3.41Å; Y214-C326 PolarHBondContact OH-SG 3.07Å; L218-C326 HydrophobicContact CD1-CB 4.38Å; C326-S372 WeakPolarHBondContact SG-CB 3.47Å; C326-S372 PolarHBondContact SG-OG 3.16Å; C326-V374 HydrophobicContact CB-CG2 4.46Å; C326-I388 WeakPolarHBondContact CA-O 3.38Å; C326-T498 CarbonylContact O-C 3.57Å; C326-T498 VanDerWaalsContact O-CA 3.31Å; C326-T498 WeakPolarHBondContact O-CA 3.46Å; C326-L499 PolarHBondContact N-O 2.92Å; C326-L499 PolarHBondContact O-N 3.4Å
327	M	98.6	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.6	160.6	-63.9	178.7	63.6	0	0	108.3	Y329 I388 K402 I405 L497 T498	M327-Y329 HydrophobicContact CB-CE2 4.14Å; M327-Y329 WeakPolarHBondContact CE-OH 3.44Å; M327-I388 PolarHBondContact N-O 2.86Å; M327-I388 PolarHBondContact O-N 2.88Å; M327-K402 HydrophobicContact SD-CB 4.23Å; M327-K402 HydrophobicContact SD-CG 4.18Å; M327-I405 HydrophobicContact CB-CD1 4.29Å; M327-I405 HydrophobicContact CB-CG2 4.4Å; M327-I405 HydrophobicContact CE-CG2 4.3Å; M327-I405 HydrophobicContact CG-CD1 3.96Å; M327-I405 HydrophobicContact SD-CB 3.8Å; M327-I405 HydrophobicContact SD-CD1 3.79Å; M327-I405 HydrophobicContact SD-CG1 4.41Å; M327-I405 HydrophobicContact SD-CG2 3.66Å; M327-L497 CarbonylContact C-O 3.56Å; M327-L497 WeakPolarHBondContact CA-O 3.34Å; M327-T498 HydrophobicContact CG-CG2 4.36Å
328	S	98.7	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.1	-175.9	-56.4	0	0	0	0	110.9	L218 F386 S387 R496 L497	L218-S328 VanDerWaalsContact CD1-OG 3.28Å; L218-S328 WeakPolarHBondContact CD1-OG 3.38Å; S328-F386 CarbonylContact C-O 3.52Å; S328-F386 VanDerWaalsContact CA-O 3.26Å; S328-F386 WeakPolarHBondContact CA-O 3.45Å; S328-S387 WeakPolarHBondContact CB-OG 3.48Å; S328-S387 WeakPolarHBondContact OG-CB 3.23Å; S328-S387 PolarHBondContact OG-OG 3.08Å; S328-R496 CarbonylContact O-C 3.39Å; S328-R496 VanDerWaalsContact O-CA 3.25Å; S328-R496 WeakPolarHBondContact O-CA 3.47Å; S328-L497 PolarHBondContact N-O 2.87Å; S328-L497 PolarHBondContact O-N 2.82Å
329	Y	98.8	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.4	-173.6	-58.1	-97.9	0	0	0	109.1	M327 S385 F386 I409 F490 R496	M327-Y329 HydrophobicContact CB-CE2 4.14Å; M327-Y329 WeakPolarHBondContact CE-OH 3.44Å; Y329-S385 VanDerWaalsContact O-CA 3.26Å; Y329-S385 WeakPolarHBondContact O-CA 3.31Å; Y329-S385 WeakPolarHBondContact O-CB 3.46Å; Y329-F386 HydrophobicContact CD2-CD1 4.02Å; Y329-F386 PolarHBondContact N-O 3.22Å; Y329-F386 PolarHBondContact O-N 2.98Å; Y329-I409 VanDerWaalsContact OH-CD1 3.32Å; Y329-I409 WeakPolarHBondContact OH-CD1 3.48Å; Y329-F490 HydrophobicContact CD1-CB 4.46Å; Y329-F490 HydrophobicContact CD1-CD1 4.21Å; Y329-F490 AromaticContact CD2-CD1 3.87Å; Y329-F490 HydrophobicContact CD2-CD1 3.87Å; Y329-F490 HydrophobicContact CE1-CB 4.31Å; Y329-F490 WeakPolarHBondContact CE1-O 3.25Å; Y329-F490 HydrophobicContact CE2-CD1 4.33Å; Y329-F490 AromaticContact CG-CD1 3.8Å; Y329-F490 HydrophobicContact CG-CD1 3.8Å; Y329-R496 HydrophobicContact CD1-CB 4.09Å; Y329-R496 HydrophobicContact CD1-CG 3.82Å; Y329-R496 HydrophobicContact CE1-CB 4.15Å; Y329-R496 VanDerWaalsContact CE1-CD 3.42Å; Y329-R496 HydrophobicContact CE1-CG 3.55Å; Y329-R496 HydrophobicContact CG-CG 4.43Å
330	L	98.6	Very high	96	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131	169	-173	74.6	0	0	0	109.3	Y223 Q297 E383 N493 H495	Y223-L330 HydrophobicContact CD1-CD1 3.86Å; Y223-L330 HydrophobicContact CE1-CD1 3.2Å; Q297-L330 HydrophobicContact CB-CD2 4.22Å; Q297-L330 HydrophobicContact CG-CD1 4.46Å; Q297-L330 HydrophobicContact CG-CD2 3.91Å; L330-E383 HydrophobicContact CD1-CB 3.73Å; L330-E383 HydrophobicContact CG-CB 4.31Å; L330-N493 PolarHBondContact O-ND2 3.17Å; L330-H495 HydrophobicContact CB-CB 3.94Å; L330-H495 VanDerWaalsContact CB-CD2 3.41Å; L330-H495 WeakPolarHBondContact CB-CD2 3.44Å; L330-H495 HydrophobicContact CD2-CB 4.34Å; L330-H495 PolarHBondContact N-O 2.73Å; L330-H495 VanDerWaalsContact N-O 3.13Å
331	L	98.3	Very high	96.5	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-157.7	179.5	-58.2	-177.2	0	0	0	111	L343 Y377 A384 F386 Y489 F490	L331-L343 HydrophobicContact CB-CD1 4.08Å; L331-L343 HydrophobicContact CD1-CB 4.31Å; L331-L343 HydrophobicContact CD1-CD1 4.21Å; L331-Y377 HydrophobicContact CD1-CD2 3.72Å; L331-Y377 HydrophobicContact CD1-CE2 3.85Å; L331-A384 WeakPolarHBondContact CA-O 3.39Å; L331-A384 HydrophobicContact CB-CB 4.07Å; L331-A384 WeakPolarHBondContact CB-O 3.38Å; L331-A384 HydrophobicContact CD1-CB 4.29Å; L331-A384 PolarHBondContact N-O 2.69Å; L331-F386 HydrophobicContact CD1-CB 3.98Å; L331-F386 HydrophobicContact CD2-CB 4.32Å; L331-F386 HydrophobicContact CG-CB 4.35Å; L331-Y489 HydrophobicContact CB-CD1 4.41Å; L331-Y489 HydrophobicContact CD2-CD1 3.8Å; L331-Y489 HydrophobicContact CD2-CG 4.05Å; L331-F490 HydrophobicContact CD2-CE1 3.96Å; L331-F490 HydrophobicContact CD2-CZ 4.26Å
332	G	95.9	Very high	96.9	Very high	21 Å²	21	19.9 Å²	19.9	22%	0.216	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	169.9	177.6	0	0	0	0	0	114	E383 A384	G332-E383 WeakPolarHBondContact O-CA 3.41Å; G332-A384 PolarHBondContact O-N 3.29Å
333	D	97.4	Very high	97.1	Very high	45 Å²	45	18.4 Å²	18.4	24%	0.241	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.4	173.4	-169.8	-42.7	0	0	0	110.6	T335 D336 K382	D333-T335 PolarHBondContact O-N 2.99Å; D333-T335 VanDerWaalsContact O-N 3.15Å; D333-T335 WeakPolarHBondContact OD1-CB 3.4Å; D333-T335 VanDerWaalsContact OD1-CG2 3.28Å; D333-T335 WeakPolarHBondContact OD1-CG2 2.84Å; D333-T335 PolarHBondContact OD1-N 3.14Å; D333-T335 PolarHBondContact OD1-OG1 3.22Å; D333-D336 PolarHBondContact O-N 3.43Å; D333-D336 VanDerWaalsContact O-N 3.16Å; D333-K382 CarbonylContact C-O 3.47Å; D333-K382 WeakPolarHBondContact CA-O 3.49Å; D333-K382 WeakPolarHBondContact OD2-CE 3.46Å
334	I	97.5	Very high	97.2	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.062	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.8	-177.6	66.1	170.2	0	0	0	114	D336 T381 K382 A384 P450 S451	I334-D336 VanDerWaalsContact C-N 3.29Å; I334-T381 WeakPolarHBondContact CD1-O 3.41Å; I334-T381 WeakPolarHBondContact CG2-O 3.23Å; I334-K382 WeakPolarHBondContact CG1-O 3.36Å; I334-K382 PolarHBondContact N-O 3.28Å; I334-A384 HydrophobicContact CG2-CB 3.8Å; I334-P450 VanDerWaalsContact CD1-C 3.45Å; I334-P450 HydrophobicContact CD1-CB 3.52Å; I334-S451 PolarHBondContact O-OG 2.93Å; I334-S451 VanDerWaalsContact O-OG 3.13Å
335	T	97.4	Very high	97.1	Very high	50 Å²	50	20 Å²	20	31%	0.307	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.4	171.5	59	0	0	0	0	112.5	D333 S337 H454	D333-T335 PolarHBondContact O-N 2.99Å; D333-T335 VanDerWaalsContact O-N 3.15Å; D333-T335 WeakPolarHBondContact OD1-CB 3.4Å; D333-T335 VanDerWaalsContact OD1-CG2 3.28Å; D333-T335 WeakPolarHBondContact OD1-CG2 2.84Å; D333-T335 PolarHBondContact OD1-N 3.14Å; D333-T335 PolarHBondContact OD1-OG1 3.22Å; T335-S337 PolarHBondContact O-N 3.35Å; T335-H454 HydrophobicContact CG2-CB 3.78Å; T335-H454 WeakPolarHBondContact CG2-O 3.48Å
336	D	97.2	Very high	97.1	Very high	87 Å²	87	20 Å²	20	47%	0.465	12%	0.118	S	C	.	.			trans	-80.5	90.1	164.1	-170.4	-26.5	0	0	0	109.6	D333 I334 F338 E339 G340	D333-D336 PolarHBondContact O-N 3.43Å; D333-D336 VanDerWaalsContact O-N 3.16Å; I334-D336 VanDerWaalsContact C-N 3.29Å; D336-F338 VanDerWaalsContact C-N 3.29Å; D336-F338 PolarHBondContact O-N 3.19Å; D336-F338 PolarHBondContact OD1-N 2.69Å; D336-E339 HydrophobicContact CB-CB 3.96Å; D336-E339 PolarHBondContact O-N 2.97Å; D336-E339 WeakPolarHBondContact OD1-CB 3.32Å; D336-E339 PolarHBondContact OD1-N 2.8Å; D336-G340 PolarHBondContact O-N 2.9Å
337	S	94.1	Very high	97.1	Very high	26 Å²	26	20 Å²	20	18%	0.182	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-34.4	-173.8	60.6	0	0	0	0	113.6	T335 F341	T335-S337 PolarHBondContact O-N 3.35Å; S337-F341 VanDerWaalsContact O-CB 3.28Å; S337-F341 WeakPolarHBondContact O-CB 3.27Å; S337-F341 PolarHBondContact O-N 3.44Å
338	F	96.2	Very high	96.9	Very high	46 Å²	46	21.4 Å²	21.4	20%	0.202	13%	0.129	C	C	.	.	H	α-helix	trans	-78.5	-41.1	-179	179.3	-110.7	0	0	0	111.7	D336 F341 T342 K470 F471 A474	D336-F338 VanDerWaalsContact C-N 3.29Å; D336-F338 PolarHBondContact O-N 3.19Å; D336-F338 PolarHBondContact OD1-N 2.69Å; F338-F341 PolarHBondContact O-N 3.19Å; F338-T342 WeakPolarHBondContact O-CB 2.95Å; F338-T342 PolarHBondContact O-N 2.94Å; F338-T342 PolarHBondContact O-OG1 3.45Å; F338-K470 HydrophobicContact CD2-CB 3.88Å; F338-K470 HydrophobicContact CD2-CD 4.24Å; F338-K470 HydrophobicContact CE2-CB 3.42Å; F338-K470 VanDerWaalsContact CE2-CB 3.42Å; F338-K470 HydrophobicContact CZ-CB 3.94Å; F338-F471 HydrophobicContact CE2-CB 4.09Å; F338-F471 HydrophobicContact CZ-CB 4.49Å; F338-A474 HydrophobicContact CZ-CB 4.46Å
339	E	97.2	Very high	96.8	Very high	22 Å²	22	21.6 Å²	21.6	10%	0.103	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-45	174.5	-167.3	64.2	-158.5	0	0	110.6	D336 F341 T342 L343 K485 Y489	D336-E339 HydrophobicContact CB-CB 3.96Å; D336-E339 PolarHBondContact O-N 2.97Å; D336-E339 WeakPolarHBondContact OD1-CB 3.32Å; D336-E339 PolarHBondContact OD1-N 2.8Å; E339-F341 PolarHBondContact O-N 3.07Å; E339-T342 WeakPolarHBondContact O-CB 3.21Å; E339-T342 PolarHBondContact O-N 3.09Å; E339-T342 VanDerWaalsContact O-N 3.13Å; E339-L343 HydrophobicContact CG-CD1 4.12Å; E339-L343 WeakPolarHBondContact O-CG 3.43Å; E339-L343 PolarHBondContact O-N 2.94Å; E339-K485 WeakPolarHBondContact OE1-CD 3.45Å; E339-K485 VanDerWaalsContact OE1-CE 3.3Å; E339-K485 WeakPolarHBondContact OE1-CE 3.44Å; E339-K485 IonicContact OE1-NZ 2.65Å; E339-K485 PolarHBondContact OE1-NZ 3.09Å; E339-K485 IonicContact OE2-NZ 2.68Å; E339-K485 PolarHBondContact OE2-NZ 2.63Å; E339-Y489 WeakPolarHBondContact OE1-CE2 3.38Å; E339-Y489 PolarHBondContact OE1-OH 2.95Å; E339-Y489 VanDerWaalsContact OE1-OH 3.11Å
340	G	95.8	Very high	96.8	Very high	12 Å²	12	21.6 Å²	21.6	12%	0.124	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-43.6	174.2	0	0	0	0	0	113	D336 T342 L343 S344	D336-G340 PolarHBondContact O-N 2.9Å; G340-T342 PolarHBondContact O-N 2.83Å; G340-L343 PolarHBondContact O-N 2.94Å; G340-S344 WeakPolarHBondContact O-CB 3.35Å; G340-S344 PolarHBondContact O-N 2.87Å
341	F	95.3	Very high	96.7	Very high	31 Å²	31	22.3 Å²	22.3	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-45.8	172.6	176.5	-93.9	0	0	0	111.8	S337 F338 E339 S344 L345 I429 I464 V468 F471	S337-F341 VanDerWaalsContact O-CB 3.28Å; S337-F341 WeakPolarHBondContact O-CB 3.27Å; S337-F341 PolarHBondContact O-N 3.44Å; F338-F341 PolarHBondContact O-N 3.19Å; E339-F341 PolarHBondContact O-N 3.07Å; F341-S344 PolarHBondContact O-N 2.85Å; F341-L345 WeakPolarHBondContact O-CB 3.05Å; F341-L345 PolarHBondContact O-N 3.48Å; F341-I429 HydrophobicContact CE2-CD1 4.03Å; F341-I429 HydrophobicContact CZ-CD1 4.06Å; F341-I464 HydrophobicContact CE2-CG2 4.31Å; F341-V468 HydrophobicContact CE2-CG2 4.45Å; F341-V468 HydrophobicContact CZ-CG2 3.8Å; F341-F471 HydrophobicContact CD1-CB 4.43Å; F341-F471 HydrophobicContact CE1-CB 3.89Å; F341-F471 HydrophobicContact CE1-CD2 4.47Å; F341-F471 HydrophobicContact CE1-CG 4.15Å
342	T	97.2	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-45.5	178.9	-63.3	0	0	0	0	111.5	F338 E339 G340 L345 L346 F471 F481 K485	F338-T342 WeakPolarHBondContact O-CB 2.95Å; F338-T342 PolarHBondContact O-N 2.94Å; F338-T342 PolarHBondContact O-OG1 3.45Å; E339-T342 WeakPolarHBondContact O-CB 3.21Å; E339-T342 PolarHBondContact O-N 3.09Å; E339-T342 VanDerWaalsContact O-N 3.13Å; G340-T342 PolarHBondContact O-N 2.83Å; T342-L345 PolarHBondContact O-N 2.69Å; T342-L346 VanDerWaalsContact O-CB 3.26Å; T342-L346 WeakPolarHBondContact O-CB 3.4Å; T342-L346 PolarHBondContact O-N 2.96Å; T342-F471 HydrophobicContact CG2-CD2 4.48Å; T342-F471 HydrophobicContact CG2-CE2 4.28Å; T342-F481 HydrophobicContact CG2-CE1 3.64Å; T342-F481 HydrophobicContact CG2-CZ 3.69Å; T342-K485 HydrophobicContact CG2-CG 4.42Å
343	L	97.9	Very high	96.2	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-35.4	-178.4	-66.7	175.3	0	0	0	112.7	L331 E339 G340 L346 S347 Y377 Y489	L331-L343 HydrophobicContact CB-CD1 4.08Å; L331-L343 HydrophobicContact CD1-CB 4.31Å; L331-L343 HydrophobicContact CD1-CD1 4.21Å; E339-L343 HydrophobicContact CG-CD1 4.12Å; E339-L343 WeakPolarHBondContact O-CG 3.43Å; E339-L343 PolarHBondContact O-N 2.94Å; G340-L343 PolarHBondContact O-N 2.94Å; L343-L346 HydrophobicContact CD2-CD2 4.32Å; L343-S347 VanDerWaalsContact O-CB 3.26Å; L343-S347 WeakPolarHBondContact O-CB 3.33Å; L343-S347 PolarHBondContact O-N 3.42Å; L343-S347 PolarHBondContact O-OG 2.86Å; L343-Y377 HydrophobicContact CB-CD2 4.17Å; L343-Y377 HydrophobicContact CB-CE2 3.91Å; L343-Y489 HydrophobicContact CD1-CD1 4.47Å; L343-Y489 HydrophobicContact CD1-CD2 4.41Å; L343-Y489 HydrophobicContact CD1-CE1 4.09Å; L343-Y489 HydrophobicContact CD1-CE2 4.05Å; L343-Y489 HydrophobicContact CD2-CD2 3.5Å; L343-Y489 HydrophobicContact CD2-CE2 3.7Å; L343-Y489 HydrophobicContact CD2-CG 4.05Å; L343-Y489 HydrophobicContact CG-CE2 4.37Å
344	S	95.9	Very high	96	Very high	55 Å²	55	22.6 Å²	22.6	39%	0.385	14%	0.141	S	C	.	.	H	α-helix	trans	-61.9	-46.6	171.5	178.4	0	0	0	0	111.2	G340 F341 S347 S348	G340-S344 WeakPolarHBondContact O-CB 3.35Å; G340-S344 PolarHBondContact O-N 2.87Å; F341-S344 PolarHBondContact O-N 2.85Å; S344-S347 PolarHBondContact O-N 3.1Å; S344-S348 PolarHBondContact O-N 3.15Å
345	L	95.7	Very high	95.9	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-46.5	177.2	-165	83.2	0	0	0	111.8	F341 T342 S347 S348 L349 L425 L426 I429 F471	F341-L345 WeakPolarHBondContact O-CB 3.05Å; F341-L345 PolarHBondContact O-N 3.48Å; T342-L345 PolarHBondContact O-N 2.69Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 3.4Å; L345-S348 WeakPolarHBondContact O-CB 3.2Å; L345-S348 PolarHBondContact O-N 3.39Å; L345-L349 PolarHBondContact O-N 3.26Å; L345-L425 HydrophobicContact CB-CD2 4.45Å; L345-L425 HydrophobicContact CD1-CB 4.36Å; L345-L425 HydrophobicContact CD1-CD2 3.31Å; L345-L425 HydrophobicContact CD1-CG 3.45Å; L345-L425 VanDerWaalsContact CD1-CG 3.45Å; L345-L425 HydrophobicContact CG-CD2 3.52Å; L345-L425 HydrophobicContact CG-CG 4.21Å; L345-L425 VanDerWaalsContact O-CD2 3.29Å; L345-L425 WeakPolarHBondContact O-CD2 3.31Å; L345-L426 HydrophobicContact CD1-CD2 4.17Å; L345-L426 HydrophobicContact CD2-CD2 4.05Å; L345-I429 HydrophobicContact CD1-CD1 3.36Å; L345-F471 HydrophobicContact CD2-CD1 3.76Å; L345-F471 HydrophobicContact CD2-CD2 4.02Å; L345-F471 HydrophobicContact CD2-CE1 3.23Å; L345-F471 HydrophobicContact CD2-CE2 3.53Å; L345-F471 HydrophobicContact CD2-CG 4.14Å; L345-F471 HydrophobicContact CD2-CZ 3.14Å; L345-F471 HydrophobicContact CG-CZ 4.5Å
346	L	97.6	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-45.1	177	176.4	59	0	0	0	111.5	T342 L343 S348 L349 M350 F417 L482 K485 V486 F490	T342-L346 VanDerWaalsContact O-CB 3.26Å; T342-L346 WeakPolarHBondContact O-CB 3.4Å; T342-L346 PolarHBondContact O-N 2.96Å; L343-L346 HydrophobicContact CD2-CD2 4.32Å; L346-S348 VanDerWaalsContact C-N 3.31Å; L346-S348 PolarHBondContact O-N 2.9Å; L346-L349 WeakPolarHBondContact O-CB 3.26Å; L346-L349 PolarHBondContact O-N 2.72Å; L346-L349 VanDerWaalsContact O-N 3.14Å; L346-M350 HydrophobicContact CD1-CG 4.38Å; L346-M350 HydrophobicContact CG-CE 4.24Å; L346-M350 HydrophobicContact CG-SD 4.5Å; L346-M350 WeakPolarHBondContact O-CG 3.49Å; L346-M350 PolarHBondContact O-N 2.95Å; L346-F417 HydrophobicContact CD1-CE2 3.47Å; L346-F417 VanDerWaalsContact CD1-CE2 3.47Å; L346-F417 HydrophobicContact CD1-CZ 3.6Å; L346-L482 HydrophobicContact CD1-CB 4.39Å; L346-L482 HydrophobicContact CD1-CD2 4.39Å; L346-K485 HydrophobicContact CD2-CB 3.83Å; L346-V486 HydrophobicContact CD1-CG2 3.7Å; L346-V486 HydrophobicContact CD2-CG2 3.85Å; L346-V486 HydrophobicContact CG-CG2 4.22Å; L346-F490 HydrophobicContact CD2-CE2 3.99Å
347	S	97.2	Very high	95.9	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-44.2	177	-60.9	0	0	0	0	111.2	L343 S344 L345 L349 M350 V351 F386	L343-S347 VanDerWaalsContact O-CB 3.26Å; L343-S347 WeakPolarHBondContact O-CB 3.33Å; L343-S347 PolarHBondContact O-N 3.42Å; L343-S347 PolarHBondContact O-OG 2.86Å; S344-S347 PolarHBondContact O-N 3.1Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 3.4Å; S347-L349 PolarHBondContact O-N 3.02Å; S347-M350 PolarHBondContact O-N 3.42Å; S347-M350 VanDerWaalsContact O-N 3.17Å; S347-V351 WeakPolarHBondContact O-CG2 3.36Å; S347-V351 PolarHBondContact O-N 2.89Å; S347-V351 VanDerWaalsContact O-N 3.14Å; S347-F386 VanDerWaalsContact OG-CD2 3.28Å; S347-F386 WeakPolarHBondContact OG-CD2 3.47Å
348	S	95.8	Very high	96.1	Very high	29 Å²	29	16.9 Å²	16.9	20%	0.203	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-40	175.5	-162.1	0	0	0	0	112.5	S344 L345 L346 M350 V351 S352 L425	S344-S348 PolarHBondContact O-N 3.15Å; L345-S348 WeakPolarHBondContact O-CB 3.2Å; L345-S348 PolarHBondContact O-N 3.39Å; L346-S348 VanDerWaalsContact C-N 3.31Å; L346-S348 PolarHBondContact O-N 2.9Å; S348-M350 VanDerWaalsContact C-N 3.25Å; S348-M350 PolarHBondContact O-N 2.88Å; S348-V351 PolarHBondContact O-N 3.28Å; S348-S352 WeakPolarHBondContact O-CA 3.2Å; S348-S352 WeakPolarHBondContact O-CB 3.34Å; S348-S352 PolarHBondContact O-N 2.7Å; S348-S352 WeakPolarHBondContact OG-CB 3.38Å; S348-L425 WeakPolarHBondContact OG-CD1 3.34Å
349	L	96.6	Very high	96.1	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-34.2	174.3	-71.5	170.9	0	0	0	112.6	L345 L346 S347 P357 F417 R421 I422 L425 L482	L345-L349 PolarHBondContact O-N 3.26Å; L346-L349 WeakPolarHBondContact O-CB 3.26Å; L346-L349 PolarHBondContact O-N 2.72Å; L346-L349 VanDerWaalsContact O-N 3.14Å; S347-L349 PolarHBondContact O-N 3.02Å; L349-P357 WeakPolarHBondContact O-CD 3.19Å; L349-F417 HydrophobicContact CB-CD1 3.89Å; L349-F417 HydrophobicContact CB-CE1 3.76Å; L349-F417 HydrophobicContact CB-CG 4.45Å; L349-F417 HydrophobicContact CB-CZ 4.24Å; L349-F417 HydrophobicContact CD1-CD2 4.42Å; L349-F417 HydrophobicContact CD1-CG 4.33Å; L349-R421 HydrophobicContact CD2-CB 4.2Å; L349-R421 VanDerWaalsContact O-CZ 3.3Å; L349-R421 PolarHBondContact O-NH1 3.26Å; L349-R421 PolarHBondContact O-NH2 3.39Å; L349-I422 HydrophobicContact CD1-CG1 4.13Å; L349-I422 HydrophobicContact CD2-CG1 4.4Å; L349-L425 HydrophobicContact CD2-CB 4.4Å; L349-L425 HydrophobicContact CD2-CD2 3.89Å; L349-L425 HydrophobicContact CG-CD2 3.7Å; L349-L482 HydrophobicContact CD1-CD1 3.87Å
350	M	97.8	Very high	96.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-76.8	-29.7	-179.2	-68.3	-169.5	-59.4	0	0	113.7	L346 S347 S348 S356 F358 F386 I412 F417 V486 F490	L346-M350 HydrophobicContact CD1-CG 4.38Å; L346-M350 HydrophobicContact CG-CE 4.24Å; L346-M350 HydrophobicContact CG-SD 4.5Å; L346-M350 WeakPolarHBondContact O-CG 3.49Å; L346-M350 PolarHBondContact O-N 2.95Å; S347-M350 PolarHBondContact O-N 3.42Å; S347-M350 VanDerWaalsContact O-N 3.17Å; S348-M350 VanDerWaalsContact C-N 3.25Å; S348-M350 PolarHBondContact O-N 2.88Å; M350-S356 WeakPolarHBondContact O-CB 3.48Å; M350-F358 HydrophobicContact CB-CD2 3.8Å; M350-F358 HydrophobicContact CB-CE2 3.92Å; M350-F358 HydrophobicContact CG-CE2 4.47Å; M350-F358 WeakPolarHBondContact O-CB 3.33Å; M350-F358 WeakPolarHBondContact O-CD2 3.36Å; M350-F358 PolarHBondContact O-N 2.92Å; M350-F358 VanDerWaalsContact O-N 3.1Å; M350-F358 HydrophobicContact SD-CE2 4.13Å; M350-F386 HydrophobicContact CE-CD1 4.43Å; M350-F386 HydrophobicContact CE-CD2 4.1Å; M350-F386 HydrophobicContact CE-CE1 3.99Å; M350-F386 HydrophobicContact CE-CE2 3.63Å; M350-F386 HydrophobicContact CE-CG 4.48Å; M350-F386 HydrophobicContact CE-CZ 3.57Å; M350-I412 HydrophobicContact CG-CD1 4.02Å; M350-I412 HydrophobicContact SD-CD1 4.09Å; M350-F417 HydrophobicContact CG-CE1 4.03Å; M350-F417 HydrophobicContact CG-CZ 3.73Å; M350-V486 HydrophobicContact SD-CG2 4.23Å; M350-F490 HydrophobicContact CE-CD2 4.28Å; M350-F490 HydrophobicContact CE-CE1 4.23Å; M350-F490 HydrophobicContact CE-CE2 3.52Å; M350-F490 HydrophobicContact CE-CZ 3.5Å; M350-F490 VanDerWaalsContact CE-CZ 3.5Å; M350-F490 HydrophobicContact SD-CD2 4.35Å; M350-F490 HydrophobicContact SD-CE2 4.02Å
351	V	96.6	Very high	96.2	Very high	17 Å²	17	18.1 Å²	18.1	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-123.6	-23.4	-171.1	-49.3	0	0	0	0	116.2	S347 S348 G353 S356 F358 V375 F386 I388	S347-V351 WeakPolarHBondContact O-CG2 3.36Å; S347-V351 PolarHBondContact O-N 2.89Å; S347-V351 VanDerWaalsContact O-N 3.14Å; S348-V351 PolarHBondContact O-N 3.28Å; V351-G353 PolarHBondContact O-N 3Å; V351-S356 VanDerWaalsContact C-CB 3.42Å; V351-S356 WeakPolarHBondContact CA-OG 3.43Å; V351-S356 PolarHBondContact O-OG 3.16Å; V351-F358 HydrophobicContact CG1-CD2 4Å; V351-V375 HydrophobicContact CB-CG2 4.16Å; V351-V375 HydrophobicContact CG1-CG2 3.98Å; V351-V375 HydrophobicContact CG2-CG2 4.44Å; V351-F386 HydrophobicContact CG1-CE2 3.89Å; V351-F386 HydrophobicContact CG1-CZ 3.85Å; V351-I388 HydrophobicContact CG1-CD1 3.94Å
352	S	92.7	Very high	96.2	Very high	33 Å²	33	16.7 Å²	16.7	23%	0.231	11%	0.107	C	C	.	.	S	Bend	trans	-81	118.9	-169	-156.9	0	0	0	0	112.4	S348 S356 K428	S348-S352 WeakPolarHBondContact O-CA 3.2Å; S348-S352 WeakPolarHBondContact O-CB 3.34Å; S348-S352 PolarHBondContact O-N 2.7Å; S348-S352 WeakPolarHBondContact OG-CB 3.38Å; S352-S356 WeakPolarHBondContact O-CB 3.29Å; S352-K428 PolarHBondContact OG-NZ 3.36Å
353	G	91	Very high	96.1	Very high	29 Å²	29	16.9 Å²	16.9	30%	0.299	11%	0.108	S	C	.	.	S	Bend	trans	77.1	171.6	174.2	0	0	0	0	0	114.5	V351 N355 S356 Y359	V351-G353 PolarHBondContact O-N 3Å; G353-N355 PolarHBondContact O-N 3.25Å; G353-N355 VanDerWaalsContact O-N 3.15Å; G353-S356 WeakPolarHBondContact O-CB 3.35Å; G353-S356 PolarHBondContact O-N 3.39Å; G353-S356 VanDerWaalsContact O-N 3.1Å; G353-S356 PolarHBondContact O-OG 3.49Å; G353-Y359 VanDerWaalsContact O-CB 3.27Å; G353-Y359 WeakPolarHBondContact O-CB 3.34Å
354	P	93.9	Very high	95.9	Very high	13 Å²	13	18.1 Å²	18.1	8%	0.084	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.9	-174.6	28.6	-35.8	0	0	0	114.8	Y359 Q360 Y628 R629 A632	P354-Y359 VanDerWaalsContact CA-CD1 3.47Å; P354-Y359 HydrophobicContact CB-CD1 4.04Å; P354-Y359 HydrophobicContact CB-CE1 3.87Å; P354-Q360 WeakPolarHBondContact O-CG 3.36Å; P354-Q360 PolarHBondContact O-NE2 2.89Å; P354-Y628 HydrophobicContact CB-CD2 3.91Å; P354-Y628 HydrophobicContact CB-CE2 3.59Å; P354-Y628 HydrophobicContact CG-CD2 4.24Å; P354-Y628 HydrophobicContact CG-CE2 4.4Å; P354-R629 HydrophobicContact CB-CG 4.35Å; P354-A632 HydrophobicContact CG-CB 3.44Å; P354-A632 VanDerWaalsContact CG-CB 3.44Å
355	N	94.5	Very high	95.8	Very high	26 Å²	26	18.2 Å²	18.2	14%	0.139	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.7	176.1	-62.8	-36.7	0	0	0	113.1	G353 Q360 R421 R629 Q633	G353-N355 PolarHBondContact O-N 3.25Å; G353-N355 VanDerWaalsContact O-N 3.15Å; N355-Q360 PolarHBondContact O-NE2 3.03Å; N355-R421 VanDerWaalsContact O-CZ 3.26Å; N355-R421 PolarHBondContact O-NE 3Å; N355-R421 PolarHBondContact O-NH1 2.94Å; N355-R629 PolarHBondContact ND2-O 2.9Å; N355-R629 WeakPolarHBondContact OD1-CA 3.45Å; N355-R629 WeakPolarHBondContact OD1-CB 3.45Å; N355-R629 WeakPolarHBondContact OD1-CG 3.33Å; N355-R629 PolarHBondContact OD1-O 2.83Å; N355-Q633 WeakPolarHBondContact ND2-CB 3.43Å; N355-Q633 PolarHBondContact ND2-OE1 3.05Å
356	S	96.7	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-79	143.2	179.8	74.2	0	0	0	0	111.8	M350 V351 S352 G353 F358 Y359 Q360	M350-S356 WeakPolarHBondContact O-CB 3.48Å; V351-S356 VanDerWaalsContact C-CB 3.42Å; V351-S356 WeakPolarHBondContact CA-OG 3.43Å; V351-S356 PolarHBondContact O-OG 3.16Å; S352-S356 WeakPolarHBondContact O-CB 3.29Å; G353-S356 WeakPolarHBondContact O-CB 3.35Å; G353-S356 PolarHBondContact O-N 3.39Å; G353-S356 VanDerWaalsContact O-N 3.1Å; G353-S356 PolarHBondContact O-OG 3.49Å; S356-F358 VanDerWaalsContact C-N 3.3Å; S356-F358 PolarHBondContact O-N 3.07Å; S356-Y359 PolarHBondContact O-N 3.5Å; S356-Y359 WeakPolarHBondContact OG-CB 3.38Å; S356-Y359 PolarHBondContact OG-N 3.21Å; S356-Q360 WeakPolarHBondContact O-CG 3.26Å; S356-Q360 PolarHBondContact O-N 3.45Å; S356-Q360 VanDerWaalsContact O-N 3.11Å
357	P	97.6	Very high	95.5	Very high	29 Å²	29	21.8 Å²	21.8	19%	0.188	13%	0.129	C	C	.	.	H	α-helix	trans	-53.4	-45.1	-178.8	-27.3	33	0	0	0	113	L349 Q360 S361 T408 I412 F417	L349-P357 WeakPolarHBondContact O-CD 3.19Å; P357-Q360 PolarHBondContact O-N 2.85Å; P357-S361 WeakPolarHBondContact O-CB 3.11Å; P357-S361 PolarHBondContact O-N 3.1Å; P357-S361 PolarHBondContact O-OG 2.98Å; P357-T408 HydrophobicContact CB-CG2 3.65Å; P357-I412 HydrophobicContact CB-CD1 3.9Å; P357-I412 HydrophobicContact CB-CG1 3.92Å; P357-I412 HydrophobicContact CG-CD1 4.04Å; P357-I412 HydrophobicContact CG-CG1 3.86Å; P357-F417 HydrophobicContact CG-CE1 4.23Å
358	F	98.3	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.6	-32.1	-178.6	-73.4	-59.9	0	0	0	113.1	M350 V351 S356 Q360 S361 L362 F371 F386 I388 I405 T408 I409 I412	M350-F358 HydrophobicContact CB-CD2 3.8Å; M350-F358 HydrophobicContact CB-CE2 3.92Å; M350-F358 HydrophobicContact CG-CE2 4.47Å; M350-F358 WeakPolarHBondContact O-CB 3.33Å; M350-F358 WeakPolarHBondContact O-CD2 3.36Å; M350-F358 PolarHBondContact O-N 2.92Å; M350-F358 VanDerWaalsContact O-N 3.1Å; M350-F358 HydrophobicContact SD-CE2 4.13Å; V351-F358 HydrophobicContact CG1-CD2 4Å; S356-F358 VanDerWaalsContact C-N 3.3Å; S356-F358 PolarHBondContact O-N 3.07Å; F358-Q360 VanDerWaalsContact C-N 3.33Å; F358-S361 PolarHBondContact O-N 3.41Å; F358-S361 PolarHBondContact O-OG 3.38Å; F358-L362 HydrophobicContact CB-CD1 4.28Å; F358-L362 HydrophobicContact CD1-CD1 4.05Å; F358-L362 WeakPolarHBondContact O-CB 3.45Å; F358-L362 PolarHBondContact O-N 3.47Å; F358-F371 HydrophobicContact CB-CE1 4.37Å; F358-F386 HydrophobicContact CD2-CZ 4.37Å; F358-F386 HydrophobicContact CE2-CE1 4.23Å; F358-F386 AromaticContact CE2-CZ 3.98Å; F358-F386 HydrophobicContact CE2-CZ 3.98Å; F358-I388 HydrophobicContact CB-CD1 3.77Å; F358-I388 HydrophobicContact CB-CG1 4.14Å; F358-I388 HydrophobicContact CD1-CD1 4.32Å; F358-I388 HydrophobicContact CD1-CG1 3.72Å; F358-I388 HydrophobicContact CD2-CD1 4.04Å; F358-I388 HydrophobicContact CD2-CG1 3.85Å; F358-I388 HydrophobicContact CE1-CG1 4Å; F358-I388 HydrophobicContact CE1-CG2 4.35Å; F358-I388 HydrophobicContact CE2-CB 4.48Å; F358-I388 HydrophobicContact CE2-CG1 4.13Å; F358-I388 HydrophobicContact CE2-CG2 4.45Å; F358-I388 HydrophobicContact CG-CD1 3.81Å; F358-I388 HydrophobicContact CG-CG1 3.65Å; F358-I388 HydrophobicContact CZ-CG1 4.2Å; F358-I388 HydrophobicContact CZ-CG2 4.13Å; F358-I405 HydrophobicContact CE1-CB 4.47Å; F358-I405 HydrophobicContact CE1-CG1 4.48Å; F358-I405 HydrophobicContact CE1-CG2 4.17Å; F358-T408 HydrophobicContact CD1-CG2 3.6Å; F358-T408 HydrophobicContact CE1-CG2 3.63Å; F358-T408 HydrophobicContact CG-CG2 4.19Å; F358-T408 HydrophobicContact CZ-CG2 4.25Å; F358-I409 HydrophobicContact CZ-CG1 3.92Å; F358-I412 HydrophobicContact CE2-CD1 4.41Å
359	Y	97.1	Very high	94.9	Very high	13 Å²	13	21.1 Å²	21.1	5%	0.051	13%	0.126	C	C	.	.	I	π-helix	trans	-62.3	-45.2	173.1	-168.1	-75.5	0	0	0	110.6	G353 P354 S356 S361 I363 D364 F371 R694 M701	G353-Y359 VanDerWaalsContact O-CB 3.27Å; G353-Y359 WeakPolarHBondContact O-CB 3.34Å; P354-Y359 VanDerWaalsContact CA-CD1 3.47Å; P354-Y359 HydrophobicContact CB-CD1 4.04Å; P354-Y359 HydrophobicContact CB-CE1 3.87Å; S356-Y359 PolarHBondContact O-N 3.5Å; S356-Y359 WeakPolarHBondContact OG-CB 3.38Å; S356-Y359 PolarHBondContact OG-N 3.21Å; Y359-S361 VanDerWaalsContact C-N 3.32Å; Y359-S361 PolarHBondContact O-N 2.97Å; Y359-I363 HydrophobicContact CD1-CB 3.99Å; Y359-I363 HydrophobicContact CD1-CG2 4.29Å; Y359-I363 HydrophobicContact CD2-CB 4.06Å; Y359-I363 HydrophobicContact CD2-CG1 3.94Å; Y359-I363 HydrophobicContact CD2-CG2 4.25Å; Y359-I363 HydrophobicContact CE1-CB 4.05Å; Y359-I363 HydrophobicContact CE1-CG2 3.82Å; Y359-I363 HydrophobicContact CE2-CB 4.08Å; Y359-I363 HydrophobicContact CE2-CG1 4.19Å; Y359-I363 HydrophobicContact CE2-CG2 3.74Å; Y359-I363 HydrophobicContact CG-CB 4.01Å; Y359-I363 HydrophobicContact CG-CG1 4.19Å; Y359-I363 WeakPolarHBondContact O-CA 3.49Å; Y359-I363 WeakPolarHBondContact O-CB 3.47Å; Y359-I363 PolarHBondContact O-N 2.9Å; Y359-D364 WeakPolarHBondContact CE1-OD1 3.45Å; Y359-D364 PolarHBondContact O-N 3.45Å; Y359-F371 AromaticContact CD2-CE2 3.86Å; Y359-F371 HydrophobicContact CD2-CE2 3.86Å; Y359-F371 HydrophobicContact CD2-CZ 4.19Å; Y359-R694 PolarHBondContact OH-NH1 2.81Å; Y359-M701 HydrophobicContact CE2-CE 4.48Å; Y359-M701 HydrophobicContact CE2-SD 4.46Å
360	Q	96.4	Very high	94.7	Very high	69 Å²	69	22 Å²	22	32%	0.322	13%	0.131	S	C	.	.	I	π-helix	trans	-66.6	-33.9	-179.9	-64.3	-179.7	14.8	0	0	112.8	P354 N355 S356 P357 F358 P365	P354-Q360 WeakPolarHBondContact O-CG 3.36Å; P354-Q360 PolarHBondContact O-NE2 2.89Å; N355-Q360 PolarHBondContact O-NE2 3.03Å; S356-Q360 WeakPolarHBondContact O-CG 3.26Å; S356-Q360 PolarHBondContact O-N 3.45Å; S356-Q360 VanDerWaalsContact O-N 3.11Å; P357-Q360 PolarHBondContact O-N 2.85Å; F358-Q360 VanDerWaalsContact C-N 3.33Å; Q360-P365 WeakPolarHBondContact O-CD 3.45Å
361	S	97.7	Very high	94.7	Very high	24 Å²	24	23 Å²	23	17%	0.168	14%	0.136	C	C	.	.	I	π-helix	trans	-87.9	-26.7	-177.9	70.8	0	0	0	0	113.9	P357 F358 Y359 P365 I404 T408	P357-S361 WeakPolarHBondContact O-CB 3.11Å; P357-S361 PolarHBondContact O-N 3.1Å; P357-S361 PolarHBondContact O-OG 2.98Å; F358-S361 PolarHBondContact O-N 3.41Å; F358-S361 PolarHBondContact O-OG 3.38Å; Y359-S361 VanDerWaalsContact C-N 3.32Å; Y359-S361 PolarHBondContact O-N 2.97Å; S361-P365 WeakPolarHBondContact O-CG 3.36Å; S361-I404 WeakPolarHBondContact O-CG2 3.29Å; S361-T408 WeakPolarHBondContact CB-OG1 2.95Å; S361-T408 PolarHBondContact OG-OG1 3.23Å
362	L	97.1	Very high	94.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-111	-42.4	-173.8	-63.8	174.7	0	0	0	113.6	F358 F371 I388 L390 V401 I404 I405	F358-L362 HydrophobicContact CB-CD1 4.28Å; F358-L362 HydrophobicContact CD1-CD1 4.05Å; F358-L362 WeakPolarHBondContact O-CB 3.45Å; F358-L362 PolarHBondContact O-N 3.47Å; L362-F371 HydrophobicContact CB-CE1 4.43Å; L362-F371 HydrophobicContact CD1-CE1 4.36Å; L362-I388 HydrophobicContact CD1-CD1 3.96Å; L362-I388 HydrophobicContact CD1-CG1 3.82Å; L362-L390 HydrophobicContact CB-CD1 3.96Å; L362-L390 HydrophobicContact CB-CD2 3.91Å; L362-L390 HydrophobicContact CB-CG 3.99Å; L362-L390 HydrophobicContact CD2-CD1 4.1Å; L362-L390 HydrophobicContact CD2-CG 4.48Å; L362-V401 HydrophobicContact CD2-CG1 4.09Å; L362-I404 HydrophobicContact CD2-CB 4.2Å; L362-I404 HydrophobicContact CD2-CG2 3.65Å; L362-I404 HydrophobicContact CG-CG2 4.32Å; L362-I405 HydrophobicContact CD1-CG1 4.16Å; L362-I405 HydrophobicContact CD2-CG1 4.35Å
363	I	95.1	Very high	94.4	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	14%	0.138	C	C	.	.	I	π-helix	trans	-90.2	-51.9	-173.1	-56.4	-68.8	0	0	0	111.7	Y359 P365 K366 F371 L390 V697 M701	Y359-I363 HydrophobicContact CD1-CB 3.99Å; Y359-I363 HydrophobicContact CD1-CG2 4.29Å; Y359-I363 HydrophobicContact CD2-CB 4.06Å; Y359-I363 HydrophobicContact CD2-CG1 3.94Å; Y359-I363 HydrophobicContact CD2-CG2 4.25Å; Y359-I363 HydrophobicContact CE1-CB 4.05Å; Y359-I363 HydrophobicContact CE1-CG2 3.82Å; Y359-I363 HydrophobicContact CE2-CB 4.08Å; Y359-I363 HydrophobicContact CE2-CG1 4.19Å; Y359-I363 HydrophobicContact CE2-CG2 3.74Å; Y359-I363 HydrophobicContact CG-CB 4.01Å; Y359-I363 HydrophobicContact CG-CG1 4.19Å; Y359-I363 WeakPolarHBondContact O-CA 3.49Å; Y359-I363 WeakPolarHBondContact O-CB 3.47Å; Y359-I363 PolarHBondContact O-N 2.9Å; I363-P365 VanDerWaalsContact C-CD 3.44Å; I363-P365 VanDerWaalsContact C-N 3.29Å; I363-K366 WeakPolarHBondContact O-CA 3.21Å; I363-K366 PolarHBondContact O-N 3.05Å; I363-F371 HydrophobicContact CD1-CD1 3.87Å; I363-F371 HydrophobicContact CD1-CD2 4.17Å; I363-F371 HydrophobicContact CD1-CE1 4.03Å; I363-F371 HydrophobicContact CD1-CE2 4.34Å; I363-F371 HydrophobicContact CD1-CG 3.94Å; I363-F371 HydrophobicContact CD1-CZ 4.28Å; I363-F371 HydrophobicContact CG1-CD1 4.08Å; I363-F371 HydrophobicContact CG1-CD2 4.22Å; I363-F371 HydrophobicContact CG1-CE1 3.71Å; I363-F371 HydrophobicContact CG1-CE2 3.89Å; I363-F371 HydrophobicContact CG1-CG 4.33Å; I363-F371 HydrophobicContact CG1-CZ 3.62Å; I363-L390 HydrophobicContact CD1-CD2 3.43Å; I363-L390 VanDerWaalsContact CD1-CD2 3.43Å; I363-L390 HydrophobicContact CG1-CD2 4.39Å; I363-V697 HydrophobicContact CG2-CG1 3.73Å; I363-M701 HydrophobicContact CG2-SD 4.31Å
364	D	93.3	Very high	94.6	Very high	29 Å²	29	23.2 Å²	23.2	16%	0.155	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.9	179.9	-81.1	-17.2	0	0	0	113.1	Y359 K366 Y628 R629	Y359-D364 WeakPolarHBondContact CE1-OD1 3.45Å; Y359-D364 PolarHBondContact O-N 3.45Å; D364-K366 PolarHBondContact O-N 2.96Å; D364-Y628 PolarHBondContact OD1-OH 3.41Å; D364-Y628 PolarHBondContact OD2-OH 3.38Å; D364-R629 IonicContact OD2-CZ 3.03Å; D364-R629 IonicContact OD2-NE 2.65Å; D364-R629 IonicContact OD2-NH2 3.64Å; D364-R629 PolarHBondContact OD2-NH2 2.82Å
365	P	93.7	Very high	94.8	Very high	57 Å²	57	24.8 Å²	24.8	37%	0.37	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-2	176.9	-20.1	36.3	0	0	0	114.6	Q360 S361 I363 I367	Q360-P365 WeakPolarHBondContact O-CD 3.45Å; S361-P365 WeakPolarHBondContact O-CG 3.36Å; I363-P365 VanDerWaalsContact C-CD 3.44Å; I363-P365 VanDerWaalsContact C-N 3.29Å; P365-I367 VanDerWaalsContact C-N 3.34Å; P365-I367 HydrophobicContact CB-CD1 4.22Å; P365-I367 HydrophobicContact CB-CG1 4.12Å; P365-I367 PolarHBondContact O-N 2.81Å
366	K	92.1	Very high	94.9	Very high	78 Å²	78	23.9 Å²	23.9	34%	0.339	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	40.2	177.7	-60.1	163.9	-72.4	-174.1	0	113.3	I363 D364 V697	I363-K366 WeakPolarHBondContact O-CA 3.21Å; I363-K366 PolarHBondContact O-N 3.05Å; D364-K366 PolarHBondContact O-N 2.96Å; K366-V697 HydrophobicContact CD-CG2 4.17Å; K366-V697 HydrophobicContact CG-CG2 3.76Å
367	I	93.6	Very high	95	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.015	15%	0.15	C	C	.	.	S	Bend	trans	-71.6	-46.7	178.3	-61.3	164.7	0	0	0	110	P365 L390 D397 V401 I404	P365-I367 VanDerWaalsContact C-N 3.34Å; P365-I367 HydrophobicContact CB-CD1 4.22Å; P365-I367 HydrophobicContact CB-CG1 4.12Å; P365-I367 PolarHBondContact O-N 2.81Å; I367-L390 HydrophobicContact CB-CD1 3.83Å; I367-L390 HydrophobicContact CG2-CD1 3.97Å; I367-D397 HydrophobicContact CG2-CB 4.01Å; I367-V401 HydrophobicContact CG2-CG2 3.66Å; I367-I404 HydrophobicContact CD1-CD1 3.38Å
368	G	92.1	Very high	95	Very high	12 Å²	12	28.1 Å²	28.1	12%	0.124	16%	0.155	C	C	.	.	S	Bend	trans	-116.7	178.3	171.9	0	0	0	0	0	112	Q391 G392	G368-Q391 CarbonylContact C-O 3.54Å; G368-Q391 VanDerWaalsContact CA-O 3.32Å; G368-Q391 WeakPolarHBondContact CA-O 3.46Å; G368-G392 WeakPolarHBondContact CA-O 3.39Å
369	S	89	Confident	94.9	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	17%	0.165	C	C	.	.	S	Bend	trans	-79	-37	176.3	55.1	0	0	0	0	112.7	Q391 G392 M701 Q704	S369-Q391 PolarHBondContact N-O 3.34Å; S369-Q391 PolarHBondContact OG-O 3.48Å; S369-G392 PolarHBondContact N-O 2.99Å; S369-M701 WeakPolarHBondContact O-CG 3.49Å; S369-Q704 PolarHBondContact OG-OE1 2.66Å
370	D	93.4	Very high	94.8	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	177.4	177.6	-156.5	-4.8	0	0	0	110.9	L390 Q391 M701	D370-L390 WeakPolarHBondContact O-CA 3.38Å; D370-L390 VanDerWaalsContact O-CD2 3.27Å; D370-L390 WeakPolarHBondContact O-CD2 3.45Å; D370-Q391 HydrophobicContact CB-CG 4.22Å; D370-Q391 PolarHBondContact O-N 3.45Å; D370-M701 HydrophobicContact CB-CG 4.43Å; D370-M701 WeakPolarHBondContact OD1-CE 3.27Å
371	F	96.1	Very high	94.9	Very high	21 Å²	21	27.1 Å²	27.1	9%	0.092	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	154	163.7	-69	-56.9	0	0	0	111.1	F358 Y359 L362 I363 V375 I388 G389 L390 Q391	F358-F371 HydrophobicContact CB-CE1 4.37Å; Y359-F371 AromaticContact CD2-CE2 3.86Å; Y359-F371 HydrophobicContact CD2-CE2 3.86Å; Y359-F371 HydrophobicContact CD2-CZ 4.19Å; L362-F371 HydrophobicContact CB-CE1 4.43Å; L362-F371 HydrophobicContact CD1-CE1 4.36Å; I363-F371 HydrophobicContact CD1-CD1 3.87Å; I363-F371 HydrophobicContact CD1-CD2 4.17Å; I363-F371 HydrophobicContact CD1-CE1 4.03Å; I363-F371 HydrophobicContact CD1-CE2 4.34Å; I363-F371 HydrophobicContact CD1-CG 3.94Å; I363-F371 HydrophobicContact CD1-CZ 4.28Å; I363-F371 HydrophobicContact CG1-CD1 4.08Å; I363-F371 HydrophobicContact CG1-CD2 4.22Å; I363-F371 HydrophobicContact CG1-CE1 3.71Å; I363-F371 HydrophobicContact CG1-CE2 3.89Å; I363-F371 HydrophobicContact CG1-CG 4.33Å; I363-F371 HydrophobicContact CG1-CZ 3.62Å; F371-V375 HydrophobicContact CB-CB 3.99Å; F371-V375 HydrophobicContact CB-CG1 3.74Å; F371-V375 HydrophobicContact CB-CG2 4.21Å; F371-V375 HydrophobicContact CD1-CG2 4.17Å; F371-V375 HydrophobicContact CD2-CG1 4.42Å; F371-V375 HydrophobicContact CG-CB 4.4Å; F371-V375 HydrophobicContact CG-CG1 4.23Å; F371-V375 HydrophobicContact CG-CG2 4.09Å; F371-I388 HydrophobicContact CD1-CD1 4.05Å; F371-I388 HydrophobicContact CE1-CD1 3.82Å; F371-G389 WeakPolarHBondContact CA-O 3.23Å; F371-G389 WeakPolarHBondContact CD1-O 3.29Å; F371-L390 HydrophobicContact CD1-CD2 4.31Å; F371-Q391 WeakPolarHBondContact O-CG 3.23Å; F371-Q391 PolarHBondContact O-NE2 3.03Å
372	S	93.7	Very high	94.9	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.021	16%	0.159	C	C	.	.			trans	-60	150.3	166.7	61.8	0	0	0	0	112.1	C326 V374 V375 G389	C326-S372 WeakPolarHBondContact SG-CB 3.47Å; C326-S372 PolarHBondContact SG-OG 3.16Å; S372-V374 PolarHBondContact O-N 3.33Å; S372-V375 WeakPolarHBondContact O-CB 3.46Å; S372-V375 WeakPolarHBondContact O-CG1 3.44Å; S372-V375 PolarHBondContact O-N 3.02Å; S372-V375 VanDerWaalsContact O-N 3.08Å; S372-G389 PolarHBondContact N-O 3.49Å
373	S	89.8	Confident	95	Very high	52 Å²	52	27.9 Å²	27.9	36%	0.364	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.1	177.2	59.9	0	0	0	0	115.9	E211	E211-S373 VanDerWaalsContact CD-CB 3.45Å; E211-S373 PolarHBondContact O-OG 3.47Å
374	V	95.3	Very high	95.1	Very high	28 Å²	28	27.8 Å²	27.8	17%	0.17	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.2	-177.2	-65	0	0	0	0	114	Y214 A215 L218 C326 S372 S387	Y214-V374 HydrophobicContact CD1-CG1 4.15Å; Y214-V374 HydrophobicContact CD1-CG2 4.14Å; Y214-V374 HydrophobicContact CE1-CG2 3.8Å; A215-V374 HydrophobicContact CB-CG1 3.58Å; L218-V374 HydrophobicContact CD1-CB 4.19Å; L218-V374 HydrophobicContact CD1-CG1 4.26Å; L218-V374 HydrophobicContact CD1-CG2 3.68Å; C326-V374 HydrophobicContact CB-CG2 4.46Å; S372-V374 PolarHBondContact O-N 3.33Å; V374-S387 WeakPolarHBondContact O-CB 3.17Å
375	V	97.4	Very high	95.4	Very high	47 Å²	47	26.5 Å²	26.5	29%	0.285	15%	0.154	S	C	.	.			trans	-61.7	139	-171.5	66.5	0	0	0	0	112.6	V351 F371 S372 S387 I388	V351-V375 HydrophobicContact CB-CG2 4.16Å; V351-V375 HydrophobicContact CG1-CG2 3.98Å; V351-V375 HydrophobicContact CG2-CG2 4.44Å; F371-V375 HydrophobicContact CB-CB 3.99Å; F371-V375 HydrophobicContact CB-CG1 3.74Å; F371-V375 HydrophobicContact CB-CG2 4.21Å; F371-V375 HydrophobicContact CD1-CG2 4.17Å; F371-V375 HydrophobicContact CD2-CG1 4.42Å; F371-V375 HydrophobicContact CG-CB 4.4Å; F371-V375 HydrophobicContact CG-CG1 4.23Å; F371-V375 HydrophobicContact CG-CG2 4.09Å; S372-V375 WeakPolarHBondContact O-CB 3.46Å; S372-V375 WeakPolarHBondContact O-CG1 3.44Å; S372-V375 PolarHBondContact O-N 3.02Å; S372-V375 VanDerWaalsContact O-N 3.08Å; V375-S387 CarbonylContact C-O 3.51Å; V375-S387 WeakPolarHBondContact CA-O 3.32Å; V375-I388 HydrophobicContact CG2-CD1 3.67Å
376	G	97.7	Very high	95.6	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98	-157.3	176.1	0	0	0	0	0	113.4	F386 S387	G376-F386 VanDerWaalsContact O-CA 3.25Å; G376-F386 WeakPolarHBondContact O-CA 3.48Å; G376-F386 WeakPolarHBondContact O-CD2 3.37Å; G376-S387 PolarHBondContact N-O 2.63Å; G376-S387 PolarHBondContact O-N 2.85Å
377	Y	97.8	Very high	95.9	Very high	63 Å²	63	20.1 Å²	20.1	25%	0.247	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.1	-176.7	178.9	-92.8	0	0	0	111	L331 L343 A384 S385	L331-Y377 HydrophobicContact CD1-CD2 3.72Å; L331-Y377 HydrophobicContact CD1-CE2 3.85Å; L343-Y377 HydrophobicContact CB-CD2 4.17Å; L343-Y377 HydrophobicContact CB-CE2 3.91Å; Y377-A384 HydrophobicContact CD2-CB 4.42Å; Y377-A384 HydrophobicContact CE2-CB 3.53Å; Y377-A384 WeakPolarHBondContact OH-CB 3.23Å; Y377-S385 WeakPolarHBondContact CA-O 3.21Å
378	D	97.6	Very high	96.2	Very high	54 Å²	54	20 Å²	20	29%	0.289	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.5	168.7	177.5	22.4	0	0	0	109.8	S380 A384 S385	D378-S380 VanDerWaalsContact CG-OG 3.28Å; D378-S380 WeakPolarHBondContact OD1-CB 3.41Å; D378-S380 PolarHBondContact OD1-N 3.09Å; D378-S380 PolarHBondContact OD1-OG 3.22Å; D378-S380 PolarHBondContact OD2-OG 3.34Å; D378-S380 VanDerWaalsContact OD2-OG 3.14Å; D378-A384 CarbonylContact O-C 3.51Å; D378-A384 VanDerWaalsContact O-CA 3.25Å; D378-A384 WeakPolarHBondContact O-CA 3.33Å; D378-A384 VanDerWaalsContact O-CB 3.3Å; D378-A384 WeakPolarHBondContact O-CB 3.03Å; D378-S385 PolarHBondContact N-O 3.2Å; D378-S385 PolarHBondContact O-N 3.38Å
379	G	96.3	Very high	96.4	Very high	21 Å²	21	19.4 Å²	19.4	22%	0.216	11%	0.114	C	C	.	.			trans	-110.5	22.5	177	0	0	0	0	0	113.2	T381 P450	G379-T381 VanDerWaalsContact C-N 3.33Å; G379-P450 WeakPolarHBondContact O-CB 3.46Å
380	S	95.9	Very high	96.8	Very high	41 Å²	41	19.2 Å²	19.2	29%	0.287	11%	0.113	S	C	.	.	S	Bend	trans	-79.6	-13.7	179.8	65.5	0	0	0	0	114.1	D378	D378-S380 VanDerWaalsContact CG-OG 3.28Å; D378-S380 WeakPolarHBondContact OD1-CB 3.41Å; D378-S380 PolarHBondContact OD1-N 3.09Å; D378-S380 PolarHBondContact OD1-OG 3.22Å; D378-S380 PolarHBondContact OD2-OG 3.34Å; D378-S380 VanDerWaalsContact OD2-OG 3.14Å
381	T	98.1	Very high	96.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-114.7	163.6	178.6	56.2	0	0	0	0	111	Q219 Y223 Y228 I334 G379 E383	Q219-T381 HydrophobicContact CG-CG2 4.45Å; Y223-T381 PolarHBondContact OH-OG1 2.9Å; Y228-T381 HydrophobicContact CD1-CG2 3.67Å; Y228-T381 HydrophobicContact CD2-CG2 4.25Å; Y228-T381 HydrophobicContact CE1-CG2 3.6Å; Y228-T381 HydrophobicContact CE2-CG2 4.18Å; Y228-T381 HydrophobicContact CG-CG2 4.02Å; I334-T381 WeakPolarHBondContact CD1-O 3.41Å; I334-T381 WeakPolarHBondContact CG2-O 3.23Å; G379-T381 VanDerWaalsContact C-N 3.33Å; T381-E383 PolarHBondContact O-N 3.48Å; T381-E383 PolarHBondContact OG1-O 3.23Å
382	K	98.2	Very high	96.7	Very high	28 Å²	28	18.2 Å²	18.2	12%	0.122	11%	0.11	C	C	.	.	S	Bend	trans	-52.1	-56.2	-176.7	-172.4	-178.2	178.5	-170.8	0	113.3	Y228 V294 S296 D333 I334 H454	Y228-K382 HydrophobicContact CE2-CB 4.12Å; Y228-K382 PolarHBondContact OH-N 3.44Å; V294-K382 HydrophobicContact CB-CD 4.43Å; V294-K382 HydrophobicContact CG1-CB 4.44Å; V294-K382 HydrophobicContact CG1-CD 4.32Å; V294-K382 WeakPolarHBondContact O-CD 3.42Å; V294-K382 PolarHBondContact O-NZ 3.24Å; S296-K382 PolarHBondContact OG-NZ 3.29Å; D333-K382 CarbonylContact C-O 3.47Å; D333-K382 WeakPolarHBondContact CA-O 3.49Å; D333-K382 WeakPolarHBondContact OD2-CE 3.46Å; I334-K382 WeakPolarHBondContact CG1-O 3.36Å; I334-K382 PolarHBondContact N-O 3.28Å; K382-H454 HydrophobicContact CG-CB 4.27Å
383	E	98.5	Very high	96.8	Very high	12 Å²	12	18.1 Å²	18.1	6%	0.056	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.5	168.4	-70.2	81.2	-147.5	0	0	107.8	Y223 S296 Q297 L330 G332 T381	Y223-E383 HydrophobicContact CE1-CB 4.19Å; Y223-E383 WeakPolarHBondContact CE1-O 3.33Å; Y223-E383 VanDerWaalsContact CZ-O 3.25Å; Y223-E383 PolarHBondContact OH-O 3.47Å; S296-E383 WeakPolarHBondContact CA-OE1 3.5Å; S296-E383 WeakPolarHBondContact CB-OE1 3.46Å; S296-E383 PolarHBondContact OG-OE1 3.35Å; Q297-E383 PolarHBondContact N-OE2 2.8Å; L330-E383 HydrophobicContact CD1-CB 3.73Å; L330-E383 HydrophobicContact CG-CB 4.31Å; G332-E383 WeakPolarHBondContact O-CA 3.41Å; T381-E383 PolarHBondContact O-N 3.48Å; T381-E383 PolarHBondContact OG1-O 3.23Å
384	A	98.4	Very high	97	Very high	1 Å²	1	16 Å²	16	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	167.6	179.7	0	0	0	0	0	111.9	Y223 L331 G332 I334 Y377 D378	Y223-A384 VanDerWaalsContact OH-C 3.3Å; Y223-A384 PolarHBondContact OH-O 2.8Å; L331-A384 WeakPolarHBondContact CA-O 3.39Å; L331-A384 HydrophobicContact CB-CB 4.07Å; L331-A384 WeakPolarHBondContact CB-O 3.38Å; L331-A384 HydrophobicContact CD1-CB 4.29Å; L331-A384 PolarHBondContact N-O 2.69Å; G332-A384 PolarHBondContact O-N 3.29Å; I334-A384 HydrophobicContact CG2-CB 3.8Å; Y377-A384 HydrophobicContact CD2-CB 4.42Å; Y377-A384 HydrophobicContact CE2-CB 3.53Å; Y377-A384 WeakPolarHBondContact OH-CB 3.23Å; D378-A384 CarbonylContact O-C 3.51Å; D378-A384 VanDerWaalsContact O-CA 3.25Å; D378-A384 WeakPolarHBondContact O-CA 3.33Å; D378-A384 VanDerWaalsContact O-CB 3.3Å; D378-A384 WeakPolarHBondContact O-CB 3.03Å
385	S	98.6	Very high	96.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.014	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	161.1	168.3	65.8	0	0	0	0	112.5	Y223 Y329 Y377 D378	Y223-S385 WeakPolarHBondContact OH-CB 3.48Å; Y223-S385 PolarHBondContact OH-N 3.45Å; Y329-S385 VanDerWaalsContact O-CA 3.26Å; Y329-S385 WeakPolarHBondContact O-CA 3.31Å; Y329-S385 WeakPolarHBondContact O-CB 3.46Å; Y377-S385 WeakPolarHBondContact CA-O 3.21Å; D378-S385 PolarHBondContact N-O 3.2Å; D378-S385 PolarHBondContact O-N 3.38Å
386	F	98.8	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	163.9	171.6	-97.4	0	0	0	109.2	S328 Y329 L331 S347 M350 V351 F358 G376 I388 F490	S328-F386 CarbonylContact C-O 3.52Å; S328-F386 VanDerWaalsContact CA-O 3.26Å; S328-F386 WeakPolarHBondContact CA-O 3.45Å; Y329-F386 HydrophobicContact CD2-CD1 4.02Å; Y329-F386 PolarHBondContact N-O 3.22Å; Y329-F386 PolarHBondContact O-N 2.98Å; L331-F386 HydrophobicContact CD1-CB 3.98Å; L331-F386 HydrophobicContact CD2-CB 4.32Å; L331-F386 HydrophobicContact CG-CB 4.35Å; S347-F386 VanDerWaalsContact OG-CD2 3.28Å; S347-F386 WeakPolarHBondContact OG-CD2 3.47Å; M350-F386 HydrophobicContact CE-CD1 4.43Å; M350-F386 HydrophobicContact CE-CD2 4.1Å; M350-F386 HydrophobicContact CE-CE1 3.99Å; M350-F386 HydrophobicContact CE-CE2 3.63Å; M350-F386 HydrophobicContact CE-CG 4.48Å; M350-F386 HydrophobicContact CE-CZ 3.57Å; V351-F386 HydrophobicContact CG1-CE2 3.89Å; V351-F386 HydrophobicContact CG1-CZ 3.85Å; F358-F386 HydrophobicContact CD2-CZ 4.37Å; F358-F386 HydrophobicContact CE2-CE1 4.23Å; F358-F386 AromaticContact CE2-CZ 3.98Å; F358-F386 HydrophobicContact CE2-CZ 3.98Å; G376-F386 VanDerWaalsContact O-CA 3.25Å; G376-F386 WeakPolarHBondContact O-CA 3.48Å; G376-F386 WeakPolarHBondContact O-CD2 3.37Å; F386-I388 HydrophobicContact CE1-CB 3.73Å; F386-I388 HydrophobicContact CE1-CG2 3.74Å; F386-I388 HydrophobicContact CZ-CB 3.94Å; F386-I388 HydrophobicContact CZ-CG2 4.4Å; F386-F490 HydrophobicContact CB-CE1 3.66Å; F386-F490 HydrophobicContact CB-CZ 4.28Å; F386-F490 AromaticContact CD1-CD1 3.91Å; F386-F490 HydrophobicContact CD1-CD1 3.91Å; F386-F490 AromaticContact CD1-CE1 3.41Å; F386-F490 HydrophobicContact CD1-CE1 3.41Å; F386-F490 VanDerWaalsContact CD1-CE1 3.41Å; F386-F490 HydrophobicContact CD1-CZ 4.19Å; F386-F490 HydrophobicContact CE1-CE1 4.19Å; F386-F490 AromaticContact CG-CE1 3.63Å; F386-F490 HydrophobicContact CG-CE1 3.63Å; F386-F490 HydrophobicContact CG-CZ 4.15Å
387	S	98.6	Very high	96.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.3	173.8	-55.7	0	0	0	0	111.4	S328 V374 V375 G376	S328-S387 WeakPolarHBondContact CB-OG 3.48Å; S328-S387 WeakPolarHBondContact OG-CB 3.23Å; S328-S387 PolarHBondContact OG-OG 3.08Å; V374-S387 WeakPolarHBondContact O-CB 3.17Å; V375-S387 CarbonylContact C-O 3.51Å; V375-S387 WeakPolarHBondContact CA-O 3.32Å; G376-S387 PolarHBondContact N-O 2.63Å; G376-S387 PolarHBondContact O-N 2.85Å
388	I	98.6	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.4	171.5	-174.9	58.8	0	0	0	110.8	C326 M327 V351 F358 L362 F371 V375 F386 I405	C326-I388 WeakPolarHBondContact CA-O 3.38Å; M327-I388 PolarHBondContact N-O 2.86Å; M327-I388 PolarHBondContact O-N 2.88Å; V351-I388 HydrophobicContact CG1-CD1 3.94Å; F358-I388 HydrophobicContact CB-CD1 3.77Å; F358-I388 HydrophobicContact CB-CG1 4.14Å; F358-I388 HydrophobicContact CD1-CD1 4.32Å; F358-I388 HydrophobicContact CD1-CG1 3.72Å; F358-I388 HydrophobicContact CD2-CD1 4.04Å; F358-I388 HydrophobicContact CD2-CG1 3.85Å; F358-I388 HydrophobicContact CE1-CG1 4Å; F358-I388 HydrophobicContact CE1-CG2 4.35Å; F358-I388 HydrophobicContact CE2-CB 4.48Å; F358-I388 HydrophobicContact CE2-CG1 4.13Å; F358-I388 HydrophobicContact CE2-CG2 4.45Å; F358-I388 HydrophobicContact CG-CD1 3.81Å; F358-I388 HydrophobicContact CG-CG1 3.65Å; F358-I388 HydrophobicContact CZ-CG1 4.2Å; F358-I388 HydrophobicContact CZ-CG2 4.13Å; L362-I388 HydrophobicContact CD1-CD1 3.96Å; L362-I388 HydrophobicContact CD1-CG1 3.82Å; F371-I388 HydrophobicContact CD1-CD1 4.05Å; F371-I388 HydrophobicContact CE1-CD1 3.82Å; V375-I388 HydrophobicContact CG2-CD1 3.67Å; F386-I388 HydrophobicContact CE1-CB 3.73Å; F386-I388 HydrophobicContact CE1-CG2 3.74Å; F386-I388 HydrophobicContact CZ-CB 3.94Å; F386-I388 HydrophobicContact CZ-CG2 4.4Å; I388-I405 HydrophobicContact CG2-CD1 4.25Å; I388-I405 HydrophobicContact CG2-CG1 4.31Å; I388-I405 HydrophobicContact CG2-CG2 3.77Å
389	G	97.4	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	177.1	-169.8	0	0	0	0	0	112.8	L325 F371 S372	L325-G389 CarbonylContact O-C 3.54Å; L325-G389 WeakPolarHBondContact O-CA 3.24Å; F371-G389 WeakPolarHBondContact CA-O 3.23Å; F371-G389 WeakPolarHBondContact CD1-O 3.29Å; S372-G389 PolarHBondContact N-O 3.49Å
390	L	97.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152	-180	-73.6	173.2	0	0	0	109.6	T324 L325 L362 I363 I367 D370 F371 M393 V401	T324-L390 WeakPolarHBondContact CA-O 3.3Å; L325-L390 PolarHBondContact N-O 3.32Å; L325-L390 PolarHBondContact O-N 2.98Å; L362-L390 HydrophobicContact CB-CD1 3.96Å; L362-L390 HydrophobicContact CB-CD2 3.91Å; L362-L390 HydrophobicContact CB-CG 3.99Å; L362-L390 HydrophobicContact CD2-CD1 4.1Å; L362-L390 HydrophobicContact CD2-CG 4.48Å; I363-L390 HydrophobicContact CD1-CD2 3.43Å; I363-L390 VanDerWaalsContact CD1-CD2 3.43Å; I363-L390 HydrophobicContact CG1-CD2 4.39Å; I367-L390 HydrophobicContact CB-CD1 3.83Å; I367-L390 HydrophobicContact CG2-CD1 3.97Å; D370-L390 WeakPolarHBondContact O-CA 3.38Å; D370-L390 VanDerWaalsContact O-CD2 3.27Å; D370-L390 WeakPolarHBondContact O-CD2 3.45Å; F371-L390 HydrophobicContact CD1-CD2 4.31Å; L390-M393 HydrophobicContact CB-CE 3.37Å; L390-M393 HydrophobicContact CD1-CE 4.3Å; L390-M393 HydrophobicContact CG-CE 4.42Å; L390-V401 HydrophobicContact CD1-CG2 4.15Å
391	Q	94.4	Very high	96.6	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	166.3	165	66.6	179.1	-66.1	0	0	110.6	E211 N323 T324 G368 S369 D370 F371 M393 Q704 N708	E211-Q391 PolarHBondContact OE1-NE2 3.38Å; E211-Q391 PolarHBondContact OE1-OE1 3.13Å; N323-Q391 CarbonylContact O-C 3.5Å; T324-Q391 HydrophobicContact CG2-CB 4.15Å; G368-Q391 CarbonylContact C-O 3.54Å; G368-Q391 VanDerWaalsContact CA-O 3.32Å; G368-Q391 WeakPolarHBondContact CA-O 3.46Å; S369-Q391 PolarHBondContact N-O 3.34Å; S369-Q391 PolarHBondContact OG-O 3.48Å; D370-Q391 HydrophobicContact CB-CG 4.22Å; D370-Q391 PolarHBondContact O-N 3.45Å; F371-Q391 WeakPolarHBondContact O-CG 3.23Å; F371-Q391 PolarHBondContact O-NE2 3.03Å; Q391-M393 PolarHBondContact O-N 2.83Å; Q391-Q704 HydrophobicContact CG-CG 4.43Å; Q391-N708 PolarHBondContact OE1-ND2 2.94Å
392	G	93.1	Very high	96.6	Very high	7 Å²	7	27.6 Å²	27.6	7%	0.072	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.9	42.9	179.7	0	0	0	0	0	113.3	K321 N323 G368 S369	K321-G392 WeakPolarHBondContact CB-O 3.49Å; K321-G392 CarbonylContact O-C 3.31Å; K321-G392 WeakPolarHBondContact O-CA 3.37Å; N323-G392 PolarHBondContact O-N 2.92Å; G368-G392 WeakPolarHBondContact CA-O 3.39Å; S369-G392 PolarHBondContact N-O 2.99Å
393	M	94.6	Very high	96.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	155.8	179.4	72.3	174.1	55.4	0	0	113.2	K321 Q322 N323 L325 L390 Q391 V401	K321-M393 WeakPolarHBondContact CA-O 3.3Å; Q322-M393 PolarHBondContact N-O 3.4Å; N323-M393 HydrophobicContact CB-CG 3.79Å; N323-M393 WeakPolarHBondContact CB-O 3.35Å; N323-M393 PolarHBondContact N-O 2.93Å; N323-M393 VanDerWaalsContact N-O 3.16Å; N323-M393 PolarHBondContact ND2-O 3.48Å; N323-M393 WeakPolarHBondContact O-CG 3.18Å; N323-M393 PolarHBondContact O-N 3.21Å; L325-M393 HydrophobicContact CB-CE 3.83Å; L325-M393 HydrophobicContact CB-SD 3.8Å; L325-M393 HydrophobicContact CD2-SD 4.41Å; L390-M393 HydrophobicContact CB-CE 3.37Å; L390-M393 HydrophobicContact CD1-CE 4.3Å; L390-M393 HydrophobicContact CG-CE 4.42Å; Q391-M393 PolarHBondContact O-N 2.83Å; M393-V401 HydrophobicContact CE-CB 4.45Å; M393-V401 HydrophobicContact CE-CG1 4.31Å; M393-V401 HydrophobicContact CE-CG2 3.86Å; M393-V401 HydrophobicContact SD-CG2 4.35Å
394	A	94.5	Very high	96.6	Very high	7 Å²	7	33.6 Å²	33.6	6%	0.058	16%	0.157	C	C	.	.			trans	-71.8	145.9	169.3	0	0	0	0	0	110.3	K321 H396 D397	K321-A394 HydrophobicContact CD-CB 4.48Å; K321-A394 HydrophobicContact CG-CB 4.06Å; A394-H396 VanDerWaalsContact C-N 3.29Å; A394-H396 VanDerWaalsContact CB-CE1 3.44Å; A394-H396 WeakPolarHBondContact CB-CE1 3.45Å; A394-H396 PolarHBondContact O-N 3.39Å; A394-D397 PolarHBondContact O-N 2.87Å; A394-D397 VanDerWaalsContact O-N 3.13Å
395	E	92.9	Very high	96.6	Very high	86 Å²	86	33.5 Å²	33.5	40%	0.402	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-51.2	-46.6	179.6	177.3	60.7	-171.6	0	0	113.9	N323 D397 T398 R500	N323-E395 PolarHBondContact ND2-N 3.42Å; N323-E395 PolarHBondContact ND2-OE2 2.86Å; N323-E395 PolarHBondContact OD1-OE2 3.44Å; N323-E395 VanDerWaalsContact OD1-OE2 3.09Å; E395-D397 PolarHBondContact O-N 2.99Å; E395-T398 WeakPolarHBondContact O-CB 3.25Å; E395-T398 PolarHBondContact O-N 2.8Å; E395-T398 PolarHBondContact O-OG1 3.36Å; E395-R500 IonicContact OE1-CZ 2.72Å; E395-R500 IonicContact OE1-NE 2.95Å; E395-R500 IonicContact OE1-NH1 2.73Å; E395-R500 PolarHBondContact OE1-NH1 3Å; E395-R500 IonicContact OE1-NH2 3.79Å; E395-R500 PolarHBondContact OE1-NH2 3.31Å; E395-R500 IonicContact OE2-CZ 2.87Å; E395-R500 IonicContact OE2-NE 3.88Å; E395-R500 IonicContact OE2-NH1 2.81Å; E395-R500 IonicContact OE2-NH2 3.46Å; E395-R500 PolarHBondContact OE2-NH2 2.88Å
396	H	94.4	Very high	96.6	Very high	156 Å²	156	35.8 Å²	35.8	72%	0.722	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-73	-12	-174.2	63.9	-90.7	0	0	0	113.6	A394 T398	A394-H396 VanDerWaalsContact C-N 3.29Å; A394-H396 VanDerWaalsContact CB-CE1 3.44Å; A394-H396 WeakPolarHBondContact CB-CE1 3.45Å; A394-H396 PolarHBondContact O-N 3.39Å; H396-T398 VanDerWaalsContact C-N 3.31Å
397	D	95.8	Very high	96.5	Very high	15 Å²	15	41 Å²	41	8%	0.08	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-83.1	-5.2	176.6	-78.5	-52	0	0	0	112.9	I367 A394 E395 E399 R400 V401	I367-D397 HydrophobicContact CG2-CB 4.01Å; A394-D397 PolarHBondContact O-N 2.87Å; A394-D397 VanDerWaalsContact O-N 3.13Å; E395-D397 PolarHBondContact O-N 2.99Å; D397-E399 PolarHBondContact O-N 3.4Å; D397-R400 WeakPolarHBondContact O-CB 3.23Å; D397-R400 PolarHBondContact O-N 2.86Å; D397-R400 VanDerWaalsContact O-N 3.12Å; D397-R400 WeakPolarHBondContact OD1-CD 3.33Å; D397-R400 IonicContact OD1-NH1 3.12Å; D397-R400 PolarHBondContact OD1-NH1 3.01Å; D397-V401 WeakPolarHBondContact O-CG2 3.31Å; D397-V401 PolarHBondContact O-N 2.99Å
398	T	94.5	Very high	96.5	Very high	15 Å²	15	41.5 Å²	41.5	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-51	-54.6	-176.6	-61.5	0	0	0	0	113.1	L325 E395 H396 R400 V401 K402	L325-T398 HydrophobicContact CD1-CG2 4.06Å; L325-T398 HydrophobicContact CD2-CG2 3.95Å; L325-T398 WeakPolarHBondContact CD2-O 3.44Å; E395-T398 WeakPolarHBondContact O-CB 3.25Å; E395-T398 PolarHBondContact O-N 2.8Å; E395-T398 PolarHBondContact O-OG1 3.36Å; H396-T398 VanDerWaalsContact C-N 3.31Å; T398-R400 VanDerWaalsContact C-N 3.33Å; T398-R400 PolarHBondContact O-N 3.35Å; T398-V401 PolarHBondContact O-N 2.93Å; T398-K402 PolarHBondContact O-N 3.48Å
399	E	96.6	Very high	96.5	Very high	100 Å²	100	41.5 Å²	41.5	47%	0.467	20%	0.196	S	C	.	.	H	α-helix	trans	-69.6	-32.3	-178.6	-72.2	-57.2	131.4	0	0	112.4	D397 K402 Q403	D397-E399 PolarHBondContact O-N 3.4Å; E399-K402 PolarHBondContact O-N 2.94Å; E399-K402 WeakPolarHBondContact OE1-CD 3.46Å; E399-K402 IonicContact OE1-NZ 3.01Å; E399-K402 PolarHBondContact OE1-NZ 2.54Å; E399-K402 IonicContact OE2-NZ 2.65Å; E399-Q403 VanDerWaalsContact O-CG 3.31Å; E399-Q403 WeakPolarHBondContact O-CG 3.48Å; E399-Q403 PolarHBondContact O-N 3.04Å
400	R	97.3	Very high	96.6	Very high	116 Å²	116	44 Å²	44	44%	0.438	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-43.3	174.8	178.3	-175.2	173.7	-162.5	-1.1	110.9	D397 T398 Q403 I404	D397-R400 WeakPolarHBondContact O-CB 3.23Å; D397-R400 PolarHBondContact O-N 2.86Å; D397-R400 VanDerWaalsContact O-N 3.12Å; D397-R400 WeakPolarHBondContact OD1-CD 3.33Å; D397-R400 IonicContact OD1-NH1 3.12Å; D397-R400 PolarHBondContact OD1-NH1 3.01Å; T398-R400 VanDerWaalsContact C-N 3.33Å; T398-R400 PolarHBondContact O-N 3.35Å; R400-Q403 PolarHBondContact O-N 3.32Å; R400-I404 HydrophobicContact CG-CD1 3.92Å; R400-I404 VanDerWaalsContact O-CG1 3.28Å; R400-I404 WeakPolarHBondContact O-CG1 3.33Å; R400-I404 PolarHBondContact O-N 3.33Å
401	V	97.8	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-43.4	177.6	172.4	0	0	0	0	111.2	L325 L362 I367 L390 M393 D397 T398 Q403 I404 I405	L325-V401 HydrophobicContact CD2-CB 3.95Å; L325-V401 HydrophobicContact CD2-CG1 3.89Å; L362-V401 HydrophobicContact CD2-CG1 4.09Å; I367-V401 HydrophobicContact CG2-CG2 3.66Å; L390-V401 HydrophobicContact CD1-CG2 4.15Å; M393-V401 HydrophobicContact CE-CB 4.45Å; M393-V401 HydrophobicContact CE-CG1 4.31Å; M393-V401 HydrophobicContact CE-CG2 3.86Å; M393-V401 HydrophobicContact SD-CG2 4.35Å; D397-V401 WeakPolarHBondContact O-CG2 3.31Å; D397-V401 PolarHBondContact O-N 2.99Å; T398-V401 PolarHBondContact O-N 2.93Å; V401-Q403 VanDerWaalsContact C-N 3.31Å; V401-Q403 PolarHBondContact O-N 3.19Å; V401-I404 PolarHBondContact O-N 3.36Å; V401-I405 HydrophobicContact CG1-CD1 3.84Å; V401-I405 HydrophobicContact CG1-CG1 4.43Å; V401-I405 WeakPolarHBondContact O-CG1 3.34Å; V401-I405 PolarHBondContact O-N 3.38Å
402	K	97.8	Very high	96.8	Very high	17 Å²	17	45.9 Å²	45.9	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-44.2	174.8	-69.2	166.6	64.6	178.9	0	111.7	E305 L325 M327 T398 E399 I405 N406 T498	E305-K402 WeakPolarHBondContact OE1-CE 3.31Å; E305-K402 IonicContact OE1-NZ 2.72Å; E305-K402 PolarHBondContact OE1-NZ 2.81Å; E305-K402 IonicContact OE2-NZ 2.73Å; E305-K402 PolarHBondContact OE2-NZ 3.49Å; L325-K402 HydrophobicContact CD2-CG 4.1Å; M327-K402 HydrophobicContact SD-CB 4.23Å; M327-K402 HydrophobicContact SD-CG 4.18Å; T398-K402 PolarHBondContact O-N 3.48Å; E399-K402 PolarHBondContact O-N 2.94Å; E399-K402 WeakPolarHBondContact OE1-CD 3.46Å; E399-K402 IonicContact OE1-NZ 3.01Å; E399-K402 PolarHBondContact OE1-NZ 2.54Å; E399-K402 IonicContact OE2-NZ 2.65Å; K402-I405 PolarHBondContact O-N 3.21Å; K402-N406 PolarHBondContact O-N 2.88Å; K402-N406 VanDerWaalsContact O-N 3.16Å; K402-N406 PolarHBondContact O-ND2 2.84Å; K402-T498 HydrophobicContact CD-CG2 4.17Å; K402-T498 HydrophobicContact CG-CG2 4.41Å
403	Q	98.1	Very high	97.1	Very high	132 Å²	132	46.6 Å²	46.6	62%	0.617	22%	0.222	S	C	*	.	H	α-helix	trans	-63.9	-44.8	177.6	-71.9	171.3	3	0	0	111.8	E399 R400 V401 I405 N406 Q407	E399-Q403 VanDerWaalsContact O-CG 3.31Å; E399-Q403 WeakPolarHBondContact O-CG 3.48Å; E399-Q403 PolarHBondContact O-N 3.04Å; R400-Q403 PolarHBondContact O-N 3.32Å; V401-Q403 VanDerWaalsContact C-N 3.31Å; V401-Q403 PolarHBondContact O-N 3.19Å; Q403-I405 PolarHBondContact O-N 3.47Å; Q403-N406 PolarHBondContact O-N 3.34Å; Q403-Q407 WeakPolarHBondContact O-CB 3.24Å; Q403-Q407 PolarHBondContact O-N 3.04Å
404	I	98.4	Very high	97.2	Very high	34 Å²	34	53.8 Å²	53.8	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-45.2	177.2	-69.4	166.3	0	0	0	110.8	S361 L362 I367 R400 V401 N406 Q407 T408	S361-I404 WeakPolarHBondContact O-CG2 3.29Å; L362-I404 HydrophobicContact CD2-CB 4.2Å; L362-I404 HydrophobicContact CD2-CG2 3.65Å; L362-I404 HydrophobicContact CG-CG2 4.32Å; I367-I404 HydrophobicContact CD1-CD1 3.38Å; R400-I404 HydrophobicContact CG-CD1 3.92Å; R400-I404 VanDerWaalsContact O-CG1 3.28Å; R400-I404 WeakPolarHBondContact O-CG1 3.33Å; R400-I404 PolarHBondContact O-N 3.33Å; V401-I404 PolarHBondContact O-N 3.36Å; I404-N406 PolarHBondContact O-N 3.43Å; I404-Q407 PolarHBondContact O-N 3.27Å; I404-T408 WeakPolarHBondContact O-CB 3.28Å; I404-T408 PolarHBondContact O-N 3.43Å; I404-T408 PolarHBondContact O-OG1 2.87Å
405	I	98.5	Very high	97.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-48.2	178.9	-71.1	164.7	0	0	0	110.9	M327 F358 L362 I388 V401 K402 Q403 Q407 T408 I409	M327-I405 HydrophobicContact CB-CD1 4.29Å; M327-I405 HydrophobicContact CB-CG2 4.4Å; M327-I405 HydrophobicContact CE-CG2 4.3Å; M327-I405 HydrophobicContact CG-CD1 3.96Å; M327-I405 HydrophobicContact SD-CB 3.8Å; M327-I405 HydrophobicContact SD-CD1 3.79Å; M327-I405 HydrophobicContact SD-CG1 4.41Å; M327-I405 HydrophobicContact SD-CG2 3.66Å; F358-I405 HydrophobicContact CE1-CB 4.47Å; F358-I405 HydrophobicContact CE1-CG1 4.48Å; F358-I405 HydrophobicContact CE1-CG2 4.17Å; L362-I405 HydrophobicContact CD1-CG1 4.16Å; L362-I405 HydrophobicContact CD2-CG1 4.35Å; I388-I405 HydrophobicContact CG2-CD1 4.25Å; I388-I405 HydrophobicContact CG2-CG1 4.31Å; I388-I405 HydrophobicContact CG2-CG2 3.77Å; V401-I405 HydrophobicContact CG1-CD1 3.84Å; V401-I405 HydrophobicContact CG1-CG1 4.43Å; V401-I405 WeakPolarHBondContact O-CG1 3.34Å; V401-I405 PolarHBondContact O-N 3.38Å; K402-I405 PolarHBondContact O-N 3.21Å; Q403-I405 PolarHBondContact O-N 3.47Å; I405-Q407 PolarHBondContact O-N 3.33Å; I405-T408 PolarHBondContact O-N 3.08Å; I405-I409 HydrophobicContact CG2-CD1 4.03Å; I405-I409 WeakPolarHBondContact O-CG1 3.37Å; I405-I409 PolarHBondContact O-N 3.06Å
406	N	98.2	Very high	97.5	Very high	49 Å²	49	56.7 Å²	56.7	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-42.1	178.9	-70.7	-61.5	0	0	0	112	K402 Q403 I404 I409 D410	K402-N406 PolarHBondContact O-N 2.88Å; K402-N406 VanDerWaalsContact O-N 3.16Å; K402-N406 PolarHBondContact O-ND2 2.84Å; Q403-N406 PolarHBondContact O-N 3.34Å; I404-N406 PolarHBondContact O-N 3.43Å; N406-I409 PolarHBondContact O-N 3.04Å; N406-D410 PolarHBondContact O-N 2.98Å
407	Q	98.6	Very high	97.6	Very high	109 Å²	109	50.6 Å²	50.6	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-41.8	177.8	-174.3	61	57	0	0	111.6	Q403 I404 I405 I409 D410 D411	Q403-Q407 WeakPolarHBondContact O-CB 3.24Å; Q403-Q407 PolarHBondContact O-N 3.04Å; I404-Q407 PolarHBondContact O-N 3.27Å; I405-Q407 PolarHBondContact O-N 3.33Å; Q407-I409 VanDerWaalsContact C-N 3.31Å; Q407-I409 PolarHBondContact O-N 3.47Å; Q407-D410 PolarHBondContact O-N 3.35Å; Q407-D410 VanDerWaalsContact O-N 3.16Å; Q407-D411 PolarHBondContact NE2-OD1 2.94Å; Q407-D411 WeakPolarHBondContact O-CB 3.4Å; Q407-D411 PolarHBondContact O-N 3.41Å
408	T	98.6	Very high	97.5	Very high	13 Å²	13	56.3 Å²	56.3	8%	0.08	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-37.2	177.3	-59.9	0	0	0	0	111.3	P357 F358 S361 I404 I405 D411 I412	P357-T408 HydrophobicContact CB-CG2 3.65Å; F358-T408 HydrophobicContact CD1-CG2 3.6Å; F358-T408 HydrophobicContact CE1-CG2 3.63Å; F358-T408 HydrophobicContact CG-CG2 4.19Å; F358-T408 HydrophobicContact CZ-CG2 4.25Å; S361-T408 WeakPolarHBondContact CB-OG1 2.95Å; S361-T408 PolarHBondContact OG-OG1 3.23Å; I404-T408 WeakPolarHBondContact O-CB 3.28Å; I404-T408 PolarHBondContact O-N 3.43Å; I404-T408 PolarHBondContact O-OG1 2.87Å; I405-T408 PolarHBondContact O-N 3.08Å; T408-D411 PolarHBondContact O-N 2.93Å; T408-I412 HydrophobicContact CG2-CD1 4.07Å; T408-I412 WeakPolarHBondContact O-CD1 3.41Å; T408-I412 WeakPolarHBondContact O-CG1 3.39Å; T408-I412 PolarHBondContact O-N 2.9Å
409	I	98.6	Very high	97.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-45.7	172.4	-69.2	165.2	0	0	0	110.5	Y329 F358 I405 N406 Q407 D411 I412 I413 V486 F490 K491	Y329-I409 VanDerWaalsContact OH-CD1 3.32Å; Y329-I409 WeakPolarHBondContact OH-CD1 3.48Å; F358-I409 HydrophobicContact CZ-CG1 3.92Å; I405-I409 HydrophobicContact CG2-CD1 4.03Å; I405-I409 WeakPolarHBondContact O-CG1 3.37Å; I405-I409 PolarHBondContact O-N 3.06Å; N406-I409 PolarHBondContact O-N 3.04Å; Q407-I409 VanDerWaalsContact C-N 3.31Å; Q407-I409 PolarHBondContact O-N 3.47Å; I409-D411 PolarHBondContact O-N 2.84Å; I409-I412 PolarHBondContact O-N 2.82Å; I409-I413 HydrophobicContact CG2-CD1 3.96Å; I409-I413 WeakPolarHBondContact O-CG1 3.36Å; I409-I413 PolarHBondContact O-N 2.89Å; I409-V486 HydrophobicContact CG2-CG1 4.05Å; I409-F490 HydrophobicContact CD1-CB 4.02Å; I409-F490 HydrophobicContact CG1-CB 4.41Å; I409-F490 HydrophobicContact CG2-CB 4.14Å; I409-K491 HydrophobicContact CG2-CB 4.22Å
410	D	98.6	Very high	97	Very high	53 Å²	53	60.5 Å²	60.5	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-43.5	177.9	-72.6	-27.8	0	0	0	111.8	N406 Q407 I412 I413 E414 K491	N406-D410 PolarHBondContact O-N 2.98Å; Q407-D410 PolarHBondContact O-N 3.35Å; Q407-D410 VanDerWaalsContact O-N 3.16Å; D410-I412 VanDerWaalsContact C-N 3.34Å; D410-I412 PolarHBondContact O-N 3.14Å; D410-I413 PolarHBondContact O-N 2.92Å; D410-E414 PolarHBondContact O-N 3.31Å; D410-K491 WeakPolarHBondContact OD1-CD 3.32Å; D410-K491 WeakPolarHBondContact OD1-CE 3.47Å; D410-K491 IonicContact OD1-NZ 3.81Å; D410-K491 PolarHBondContact OD1-NZ 2.91Å; D410-K491 IonicContact OD2-NZ 2.67Å; D410-K491 PolarHBondContact OD2-NZ 2.84Å
411	D	98.4	Very high	96.8	Very high	48 Å²	48	55.7 Å²	55.7	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-40.1	175.8	-85.5	41	0	0	0	112.3	Q407 T408 I409 E414 K415	Q407-D411 PolarHBondContact NE2-OD1 2.94Å; Q407-D411 WeakPolarHBondContact O-CB 3.4Å; Q407-D411 PolarHBondContact O-N 3.41Å; T408-D411 PolarHBondContact O-N 2.93Å; I409-D411 PolarHBondContact O-N 2.84Å; D411-E414 PolarHBondContact O-N 3.43Å; D411-K415 VanDerWaalsContact O-CB 3.3Å; D411-K415 WeakPolarHBondContact O-CB 3.28Å; D411-K415 WeakPolarHBondContact O-CG 3.4Å; D411-K415 PolarHBondContact O-N 3.44Å; D411-K415 IonicContact OD2-NZ 2.84Å; D411-K415 PolarHBondContact OD2-NZ 3.01Å
412	I	98.3	Very high	96.6	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-41.3	176	-68.5	161.1	0	0	0	110.5	M350 P357 F358 T408 I409 D410 E414 G416 F417 V486	M350-I412 HydrophobicContact CG-CD1 4.02Å; M350-I412 HydrophobicContact SD-CD1 4.09Å; P357-I412 HydrophobicContact CB-CD1 3.9Å; P357-I412 HydrophobicContact CB-CG1 3.92Å; P357-I412 HydrophobicContact CG-CD1 4.04Å; P357-I412 HydrophobicContact CG-CG1 3.86Å; F358-I412 HydrophobicContact CE2-CD1 4.41Å; T408-I412 HydrophobicContact CG2-CD1 4.07Å; T408-I412 WeakPolarHBondContact O-CD1 3.41Å; T408-I412 WeakPolarHBondContact O-CG1 3.39Å; T408-I412 PolarHBondContact O-N 2.9Å; I409-I412 PolarHBondContact O-N 2.82Å; D410-I412 VanDerWaalsContact C-N 3.34Å; D410-I412 PolarHBondContact O-N 3.14Å; I412-E414 VanDerWaalsContact C-N 3.3Å; I412-E414 PolarHBondContact O-N 2.98Å; I412-G416 VanDerWaalsContact O-CA 3.3Å; I412-G416 WeakPolarHBondContact O-CA 3.36Å; I412-G416 PolarHBondContact O-N 3.15Å; I412-F417 HydrophobicContact CG2-CE1 4.17Å; I412-F417 HydrophobicContact CG2-CE2 3.74Å; I412-F417 HydrophobicContact CG2-CZ 3.45Å; I412-F417 VanDerWaalsContact CG2-CZ 3.45Å; I412-V486 HydrophobicContact CB-CG1 4.36Å; I412-V486 HydrophobicContact CG2-CB 4.3Å; I412-V486 HydrophobicContact CG2-CG1 3.98Å; I412-V486 HydrophobicContact CG2-CG2 3.79Å
413	I	98.4	Very high	96.3	Very high	23 Å²	23	59.1 Å²	59.1	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-37.8	178.4	-67.3	165.2	0	0	0	110.9	I409 D410 Q483 V486 R487 K491	I409-I413 HydrophobicContact CG2-CD1 3.96Å; I409-I413 WeakPolarHBondContact O-CG1 3.36Å; I409-I413 PolarHBondContact O-N 2.89Å; D410-I413 PolarHBondContact O-N 2.92Å; I413-Q483 WeakPolarHBondContact O-CG 3.33Å; I413-V486 HydrophobicContact CD1-CG1 4.15Å; I413-V486 HydrophobicContact CG1-CB 4.15Å; I413-V486 HydrophobicContact CG1-CG1 3.62Å; I413-R487 HydrophobicContact CD1-CB 4.08Å; I413-R487 HydrophobicContact CD1-CG 4.47Å; I413-R487 HydrophobicContact CG1-CB 4.36Å; I413-K491 HydrophobicContact CD1-CB 3.69Å; I413-K491 HydrophobicContact CD1-CG 4.08Å
414	E	97.7	Very high	95.9	Very high	151 Å²	151	52.9 Å²	52.9	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-73.8	-47.3	179	-173.4	-179.2	-173.2	0	0	112.4	D410 D411 I412	D410-E414 PolarHBondContact O-N 3.31Å; D411-E414 PolarHBondContact O-N 3.43Å; I412-E414 VanDerWaalsContact C-N 3.3Å; I412-E414 PolarHBondContact O-N 2.98Å
415	K	96.6	Very high	95.6	Very high	140 Å²	140	51.7 Å²	51.7	61%	0.609	25%	0.253	S	S	*	.	H	α-helix	trans	-99.1	-24.1	-166.7	-61	167.3	-173.6	164.1	0	113.8	D411	D411-K415 VanDerWaalsContact O-CB 3.3Å; D411-K415 WeakPolarHBondContact O-CB 3.28Å; D411-K415 WeakPolarHBondContact O-CG 3.4Å; D411-K415 PolarHBondContact O-N 3.44Å; D411-K415 IonicContact OD2-NZ 2.84Å; D411-K415 PolarHBondContact OD2-NZ 3.01Å
416	G	96.3	Very high	95.2	Very high	14 Å²	14	52 Å²	52	14%	0.144	26%	0.255	C	S	.	.			trans	69.3	-153.5	-173.4	0	0	0	0	0	113.5	I412	I412-G416 VanDerWaalsContact O-CA 3.3Å; I412-G416 WeakPolarHBondContact O-CA 3.36Å; I412-G416 PolarHBondContact O-N 3.15Å
417	F	95.9	Very high	94.7	Very high	28 Å²	28	50.4 Å²	50.4	12%	0.123	25%	0.246	C	C	.	.			trans	-121.7	148.1	179.9	-58.9	-84.3	0	0	0	110.5	L346 L349 M350 P357 I412 I422 L482 V486	L346-F417 HydrophobicContact CD1-CE2 3.47Å; L346-F417 VanDerWaalsContact CD1-CE2 3.47Å; L346-F417 HydrophobicContact CD1-CZ 3.6Å; L349-F417 HydrophobicContact CB-CD1 3.89Å; L349-F417 HydrophobicContact CB-CE1 3.76Å; L349-F417 HydrophobicContact CB-CG 4.45Å; L349-F417 HydrophobicContact CB-CZ 4.24Å; L349-F417 HydrophobicContact CD1-CD2 4.42Å; L349-F417 HydrophobicContact CD1-CG 4.33Å; M350-F417 HydrophobicContact CG-CE1 4.03Å; M350-F417 HydrophobicContact CG-CZ 3.73Å; P357-F417 HydrophobicContact CG-CE1 4.23Å; I412-F417 HydrophobicContact CG2-CE1 4.17Å; I412-F417 HydrophobicContact CG2-CE2 3.74Å; I412-F417 HydrophobicContact CG2-CZ 3.45Å; I412-F417 VanDerWaalsContact CG2-CZ 3.45Å; F417-I422 HydrophobicContact CB-CD1 4.41Å; F417-I422 HydrophobicContact CB-CG1 4.38Å; F417-L482 HydrophobicContact CD2-CB 3.99Å; F417-L482 HydrophobicContact CD2-CD1 3.78Å; F417-L482 HydrophobicContact CE2-CB 4.02Å; F417-L482 HydrophobicContact CE2-CD1 4.34Å; F417-V486 HydrophobicContact CE2-CG2 4.47Å
418	E	93.7	Very high	94.3	Very high	136 Å²	136	47.9 Å²	47.9	64%	0.636	23%	0.233	S	C	*	.			trans	-68.2	132.4	173.8	-61.9	179.5	167.3	0	0	111	E420 R421 I422	E418-E420 PolarHBondContact O-N 2.99Å; E418-E420 VanDerWaalsContact O-N 3.14Å; E418-R421 HydrophobicContact CB-CG 4.28Å; E418-R421 WeakPolarHBondContact O-CB 3.37Å; E418-R421 PolarHBondContact O-N 3.47Å; E418-I422 PolarHBondContact O-N 3.35Å
419	D	91.8	Very high	93.7	Very high	133 Å²	133	48.6 Å²	48.6	71%	0.711	24%	0.236	S	C	*	.	H	α-helix	trans	-52.7	-38	178.9	-69.9	-23.3	0	0	0	112.4	R421 I422 E423	D419-R421 VanDerWaalsContact C-N 3.27Å; D419-R421 PolarHBondContact O-N 3.09Å; D419-I422 PolarHBondContact O-N 3.32Å; D419-E423 PolarHBondContact O-N 3.05Å
420	E	90.3	Very high	93.1	Very high	70 Å²	70	51.1 Å²	51.1	33%	0.327	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-34.5	179.2	-170.7	173.3	-173.1	0	0	112.2	E418 S424 Q633 R637	E418-E420 PolarHBondContact O-N 2.99Å; E418-E420 VanDerWaalsContact O-N 3.14Å; E420-S424 PolarHBondContact O-N 2.89Å; E420-S424 PolarHBondContact O-OG 3.34Å; E420-Q633 PolarHBondContact O-NE2 3.33Å; E420-R637 IonicContact OE1-CZ 2.8Å; E420-R637 IonicContact OE1-NE 3.93Å; E420-R637 IonicContact OE1-NH1 3.5Å; E420-R637 PolarHBondContact OE1-NH1 3.03Å
421	R	92.3	Very high	92.6	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-71.1	-38.9	176.3	-66.8	-168.2	65.5	-130	-7.2	112	L349 N355 E418 D419 E423 S424 L425	L349-R421 HydrophobicContact CD2-CB 4.2Å; L349-R421 VanDerWaalsContact O-CZ 3.3Å; L349-R421 PolarHBondContact O-NH1 3.26Å; L349-R421 PolarHBondContact O-NH2 3.39Å; N355-R421 VanDerWaalsContact O-CZ 3.26Å; N355-R421 PolarHBondContact O-NE 3Å; N355-R421 PolarHBondContact O-NH1 2.94Å; E418-R421 HydrophobicContact CB-CG 4.28Å; E418-R421 WeakPolarHBondContact O-CB 3.37Å; E418-R421 PolarHBondContact O-N 3.47Å; D419-R421 VanDerWaalsContact C-N 3.27Å; D419-R421 PolarHBondContact O-N 3.09Å; R421-E423 VanDerWaalsContact C-N 3.34Å; R421-S424 PolarHBondContact O-N 2.92Å; R421-L425 PolarHBondContact O-N 3.15Å; R421-L425 VanDerWaalsContact O-N 3.09Å
422	I	93.8	Very high	92	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-47.7	174.8	-59.4	176.1	0	0	0	109.6	L349 F417 E418 D419 S424 L425 L426 F471 L475 L482	L349-I422 HydrophobicContact CD1-CG1 4.13Å; L349-I422 HydrophobicContact CD2-CG1 4.4Å; F417-I422 HydrophobicContact CB-CD1 4.41Å; F417-I422 HydrophobicContact CB-CG1 4.38Å; E418-I422 PolarHBondContact O-N 3.35Å; D419-I422 PolarHBondContact O-N 3.32Å; I422-S424 PolarHBondContact O-N 3.37Å; I422-L425 PolarHBondContact O-N 2.98Å; I422-L426 HydrophobicContact CG2-CD1 4.18Å; I422-L426 WeakPolarHBondContact O-CG 3.42Å; I422-L426 PolarHBondContact O-N 3.42Å; I422-F471 HydrophobicContact CG2-CE1 3.99Å; I422-L475 HydrophobicContact CD1-CD1 4.34Å; I422-L475 HydrophobicContact CG2-CD1 3.81Å; I422-L482 HydrophobicContact CD1-CD1 3.85Å; I422-L482 HydrophobicContact CG1-CD1 4.4Å
423	E	90.8	Very high	91.1	Very high	79 Å²	79	53.2 Å²	53.2	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-39.6	178.1	-68.8	-55.2	140	0	0	113.2	D419 R421 L425 L426 H427 R472	D419-E423 PolarHBondContact O-N 3.05Å; R421-E423 VanDerWaalsContact C-N 3.34Å; E423-L425 VanDerWaalsContact C-N 3.31Å; E423-L425 PolarHBondContact O-N 3.5Å; E423-L426 PolarHBondContact O-N 2.98Å; E423-H427 WeakPolarHBondContact O-CB 3.5Å; E423-H427 PolarHBondContact O-N 3.02Å; E423-R472 VanDerWaalsContact CD-NH1 3.29Å; E423-R472 IonicContact OE1-CZ 2.68Å; E423-R472 IonicContact OE1-NH1 2.68Å; E423-R472 PolarHBondContact OE1-NH1 3.11Å; E423-R472 IonicContact OE1-NH2 3.58Å; E423-R472 IonicContact OE2-CZ 3.64Å; E423-R472 IonicContact OE2-NH1 3.76Å; E423-R472 PolarHBondContact OE2-NH1 3.18Å; E423-R472 VanDerWaalsContact OE2-NH1 3.1Å; E423-R472 IonicContact OE2-NH2 2.75Å; E423-R472 PolarHBondContact OE2-NH2 3.05Å
424	S	91.2	Very high	90.4	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-40.8	176	-66.5	0	0	0	0	112.4	E420 R421 I422 H427 K428 Q633 R637	E420-S424 PolarHBondContact O-N 2.89Å; E420-S424 PolarHBondContact O-OG 3.34Å; R421-S424 PolarHBondContact O-N 2.92Å; I422-S424 PolarHBondContact O-N 3.37Å; S424-H427 WeakPolarHBondContact O-CB 3.23Å; S424-H427 PolarHBondContact O-N 3.42Å; S424-K428 PolarHBondContact O-N 3.24Å; S424-Q633 PolarHBondContact OG-NE2 2.97Å; S424-R637 VanDerWaalsContact OG-CB 3.27Å; S424-R637 WeakPolarHBondContact OG-CB 3.31Å
425	L	90.3	Very high	89.9	Confident	9 Å²	9	50.7 Å²	50.7	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-71.9	-39.6	179.4	-174.3	61.1	0	0	0	112.1	L345 S348 L349 R421 I422 E423 H427 K428 I429	L345-L425 HydrophobicContact CB-CD2 4.45Å; L345-L425 HydrophobicContact CD1-CB 4.36Å; L345-L425 HydrophobicContact CD1-CD2 3.31Å; L345-L425 HydrophobicContact CD1-CG 3.45Å; L345-L425 VanDerWaalsContact CD1-CG 3.45Å; L345-L425 HydrophobicContact CG-CD2 3.52Å; L345-L425 HydrophobicContact CG-CG 4.21Å; L345-L425 VanDerWaalsContact O-CD2 3.29Å; L345-L425 WeakPolarHBondContact O-CD2 3.31Å; S348-L425 WeakPolarHBondContact OG-CD1 3.34Å; L349-L425 HydrophobicContact CD2-CB 4.4Å; L349-L425 HydrophobicContact CD2-CD2 3.89Å; L349-L425 HydrophobicContact CG-CD2 3.7Å; R421-L425 PolarHBondContact O-N 3.15Å; R421-L425 VanDerWaalsContact O-N 3.09Å; I422-L425 PolarHBondContact O-N 2.98Å; E423-L425 VanDerWaalsContact C-N 3.31Å; E423-L425 PolarHBondContact O-N 3.5Å; L425-H427 VanDerWaalsContact C-N 3.29Å; L425-H427 PolarHBondContact O-N 2.92Å; L425-K428 HydrophobicContact CD1-CD 4.01Å; L425-K428 WeakPolarHBondContact O-CB 3.48Å; L425-K428 PolarHBondContact O-N 2.96Å; L425-I429 PolarHBondContact O-N 3.09Å; L425-I429 VanDerWaalsContact O-N 3.07Å
426	L	90.4	Very high	89.1	Confident	7 Å²	7	45 Å²	45	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-37.6	172.9	-66.2	177	0	0	0	111.8	L345 I422 E423 I429 E430 V468 F471 R472	L345-L426 HydrophobicContact CD1-CD2 4.17Å; L345-L426 HydrophobicContact CD2-CD2 4.05Å; I422-L426 HydrophobicContact CG2-CD1 4.18Å; I422-L426 WeakPolarHBondContact O-CG 3.42Å; I422-L426 PolarHBondContact O-N 3.42Å; E423-L426 PolarHBondContact O-N 2.98Å; L426-I429 PolarHBondContact O-N 2.97Å; L426-E430 PolarHBondContact O-N 3.17Å; L426-E430 VanDerWaalsContact O-N 3.07Å; L426-V468 HydrophobicContact CD2-CG1 4.33Å; L426-V468 HydrophobicContact CD2-CG2 4.48Å; L426-F471 HydrophobicContact CD1-CD1 4.35Å; L426-F471 HydrophobicContact CD1-CE1 4.44Å; L426-F471 HydrophobicContact CD2-CD1 4.07Å; L426-F471 HydrophobicContact CD2-CE1 4.37Å; L426-R472 HydrophobicContact CD1-CG 4.13Å
427	H	89.3	Confident	88.6	Confident	15 Å²	15	46.3 Å²	46.3	7%	0.069	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-41.8	172.3	168.4	-99.8	0	0	0	112.4	E423 S424 L425 I429 E430 I431 E636 R637 N672	E423-H427 WeakPolarHBondContact O-CB 3.5Å; E423-H427 PolarHBondContact O-N 3.02Å; S424-H427 WeakPolarHBondContact O-CB 3.23Å; S424-H427 PolarHBondContact O-N 3.42Å; L425-H427 VanDerWaalsContact C-N 3.29Å; L425-H427 PolarHBondContact O-N 2.92Å; H427-I429 VanDerWaalsContact C-N 3.32Å; H427-I429 PolarHBondContact O-N 2.91Å; H427-E430 WeakPolarHBondContact O-CB 3.47Å; H427-E430 PolarHBondContact O-N 3.05Å; H427-I431 WeakPolarHBondContact CE1-CD1 3.46Å; H427-I431 WeakPolarHBondContact NE2-CD1 3.49Å; H427-I431 PolarHBondContact O-N 2.89Å; H427-E636 PolarHBondContact ND1-O 3.12Å; H427-R637 VanDerWaalsContact CE1-C 3.49Å; H427-R637 PolarHBondContact CE1-O 3.28Å; H427-R637 PolarHBondContact ND1-O 2.69Å; H427-R637 VanDerWaalsContact ND1-O 3.09Å; H427-N672 PolarHBondContact NE2-ND2 2.85Å
428	K	89.3	Confident	88.1	Confident	57 Å²	57	47 Å²	47	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-42.1	176	-174.3	-175.7	-166.6	168.8	0	111.9	S352 S424 L425 I431 Q432 E636	S352-K428 PolarHBondContact OG-NZ 3.36Å; S424-K428 PolarHBondContact O-N 3.24Å; L425-K428 HydrophobicContact CD1-CD 4.01Å; L425-K428 WeakPolarHBondContact O-CB 3.48Å; L425-K428 PolarHBondContact O-N 2.96Å; K428-I431 PolarHBondContact O-N 2.99Å; K428-Q432 WeakPolarHBondContact O-CG 3.35Å; K428-Q432 PolarHBondContact O-N 3.16Å; K428-E636 HydrophobicContact CD-CG 4.32Å; K428-E636 WeakPolarHBondContact CD-OE1 3.28Å; K428-E636 IonicContact NZ-OE1 3.14Å; K428-E636 PolarHBondContact NZ-OE1 3.37Å
429	I	86.5	Confident	87.9	Confident	28 Å²	28	43.6 Å²	43.6	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-46.5	174.3	-67.2	171.7	0	0	0	110.7	F341 L345 L425 L426 H427 I431 Q432 M433 I464	F341-I429 HydrophobicContact CE2-CD1 4.03Å; F341-I429 HydrophobicContact CZ-CD1 4.06Å; L345-I429 HydrophobicContact CD1-CD1 3.36Å; L425-I429 PolarHBondContact O-N 3.09Å; L425-I429 VanDerWaalsContact O-N 3.07Å; L426-I429 PolarHBondContact O-N 2.97Å; H427-I429 VanDerWaalsContact C-N 3.32Å; H427-I429 PolarHBondContact O-N 2.91Å; I429-I431 VanDerWaalsContact C-N 3.27Å; I429-I431 PolarHBondContact O-N 2.91Å; I429-Q432 PolarHBondContact O-N 3.34Å; I429-Q432 VanDerWaalsContact O-N 3.17Å; I429-M433 HydrophobicContact CG2-CG 4.43Å; I429-M433 HydrophobicContact CG2-SD 4.02Å; I429-M433 VanDerWaalsContact O-CG 3.31Å; I429-M433 WeakPolarHBondContact O-CG 3.35Å; I429-M433 PolarHBondContact O-N 3.38Å; I429-I464 HydrophobicContact CG2-CG2 3.89Å
430	E	85.8	Confident	87.9	Confident	53 Å²	53	38 Å²	38	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-43.4	176.5	-174.2	-168.1	165.7	0	0	111.7	L426 H427 M433 K434 L669 R671	L426-E430 PolarHBondContact O-N 3.17Å; L426-E430 VanDerWaalsContact O-N 3.07Å; H427-E430 WeakPolarHBondContact O-CB 3.47Å; H427-E430 PolarHBondContact O-N 3.05Å; E430-M433 PolarHBondContact O-N 3.46Å; E430-K434 HydrophobicContact CG-CD 4.29Å; E430-K434 PolarHBondContact O-N 3.24Å; E430-K434 VanDerWaalsContact O-N 3.09Å; E430-K434 IonicContact OE1-NZ 3.39Å; E430-K434 PolarHBondContact OE1-NZ 2.84Å; E430-L669 HydrophobicContact CG-CD1 4.34Å; E430-R671 IonicContact OE1-CZ 2.64Å; E430-R671 IonicContact OE1-NH1 2.67Å; E430-R671 PolarHBondContact OE1-NH1 3.28Å; E430-R671 IonicContact OE1-NH2 3.1Å; E430-R671 IonicContact OE2-CZ 3.31Å; E430-R671 IonicContact OE2-NH1 3.2Å; E430-R671 IonicContact OE2-NH2 2.67Å; E430-R671 PolarHBondContact OE2-NH2 3.37Å
431	I	88.4	Confident	88.1	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-46.6	177.7	-74.3	-173	0	0	0	111.7	H427 K428 I429 M433 K434 H435 L591 F667 L669	H427-I431 WeakPolarHBondContact CE1-CD1 3.46Å; H427-I431 WeakPolarHBondContact NE2-CD1 3.49Å; H427-I431 PolarHBondContact O-N 2.89Å; K428-I431 PolarHBondContact O-N 2.99Å; I429-I431 VanDerWaalsContact C-N 3.27Å; I429-I431 PolarHBondContact O-N 2.91Å; I431-M433 PolarHBondContact O-N 3.4Å; I431-K434 PolarHBondContact O-N 2.83Å; I431-K434 VanDerWaalsContact O-N 3.15Å; I431-H435 WeakPolarHBondContact O-CB 3.36Å; I431-H435 PolarHBondContact O-N 2.92Å; I431-L591 HydrophobicContact CG1-CD2 4.44Å; I431-L591 HydrophobicContact CG2-CD2 4.35Å; I431-F667 HydrophobicContact CG2-CD2 4.03Å; I431-F667 HydrophobicContact CG2-CE2 3.38Å; I431-F667 HydrophobicContact CG2-CZ 4.23Å; I431-L669 HydrophobicContact CD1-CD1 4.39Å; I431-L669 HydrophobicContact CD1-CG 4.16Å; I431-L669 HydrophobicContact CG1-CD1 3.84Å; I431-L669 HydrophobicContact CG1-CD2 4.15Å; I431-L669 HydrophobicContact CG1-CG 3.71Å
432	Q	85.4	Confident	88.2	Confident	127 Å²	127	35.2 Å²	35.2	59%	0.593	18%	0.175	S	C	*	.	H	α-helix	trans	-59	-38.9	179.6	-75.1	176	-20.1	0	0	111.4	K428 I429	K428-Q432 WeakPolarHBondContact O-CG 3.35Å; K428-Q432 PolarHBondContact O-N 3.16Å; I429-Q432 PolarHBondContact O-N 3.34Å; I429-Q432 VanDerWaalsContact O-N 3.17Å
433	M	79.3	Confident	88.3	Confident	21 Å²	21	37.4 Å²	37.4	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-40.1	175.3	-68	172.4	62.3	0	0	113.2	D56 L57 I429 E430 I431 I464	D56-M433 HydrophobicContact CB-CE 3.49Å; D56-M433 VanDerWaalsContact CB-CE 3.49Å; L57-M433 HydrophobicContact CD2-CB 4.3Å; L57-M433 HydrophobicContact CD2-CE 4.46Å; I429-M433 HydrophobicContact CG2-CG 4.43Å; I429-M433 HydrophobicContact CG2-SD 4.02Å; I429-M433 VanDerWaalsContact O-CG 3.31Å; I429-M433 WeakPolarHBondContact O-CG 3.35Å; I429-M433 PolarHBondContact O-N 3.38Å; E430-M433 PolarHBondContact O-N 3.46Å; I431-M433 PolarHBondContact O-N 3.4Å; M433-I464 HydrophobicContact CE-CB 3.6Å; M433-I464 HydrophobicContact CE-CD1 4.01Å; M433-I464 HydrophobicContact CE-CG1 4.33Å; M433-I464 HydrophobicContact CE-CG2 4.05Å; M433-I464 HydrophobicContact CG-CD1 3.69Å; M433-I464 HydrophobicContact CG-CG2 4.38Å; M433-I464 HydrophobicContact SD-CB 3.58Å; M433-I464 VanDerWaalsContact SD-CB 3.58Å; M433-I464 HydrophobicContact SD-CD1 3.87Å; M433-I464 HydrophobicContact SD-CG1 4.33Å; M433-I464 HydrophobicContact SD-CG2 3.31Å; M433-I464 WeakPolarHBondContact SD-CG2 3.24Å
434	K	83.9	Confident	88.4	Confident	59 Å²	59	34.3 Å²	34.3	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-78.3	-23.1	-178.7	-75.4	-179.7	172.6	171.4	0	113	E430 I431 Q436 N589 L591 L669	E430-K434 HydrophobicContact CG-CD 4.29Å; E430-K434 PolarHBondContact O-N 3.24Å; E430-K434 VanDerWaalsContact O-N 3.09Å; E430-K434 IonicContact OE1-NZ 3.39Å; E430-K434 PolarHBondContact OE1-NZ 2.84Å; I431-K434 PolarHBondContact O-N 2.83Å; I431-K434 VanDerWaalsContact O-N 3.15Å; K434-Q436 PolarHBondContact O-N 3.28Å; K434-Q436 PolarHBondContact O-NE2 2.79Å; K434-N589 PolarHBondContact O-ND2 2.93Å; K434-L591 HydrophobicContact CB-CD1 4.08Å; K434-L591 HydrophobicContact CB-CG 4.26Å; K434-L669 HydrophobicContact CD-CD2 3.59Å
435	H	86.4	Confident	88.7	Confident	62 Å²	62	34.4 Å²	34.4	29%	0.287	18%	0.181	S	C	.	.			trans	-60.7	130.1	-179.9	-176.6	58.1	0	0	0	111.7	I431 L591 Y593	I431-H435 WeakPolarHBondContact O-CB 3.36Å; I431-H435 PolarHBondContact O-N 2.92Å; H435-L591 VanDerWaalsContact CA-CD1 3.47Å; H435-L591 HydrophobicContact CB-CD1 4.1Å; H435-Y593 AromaticContact CE1-CE1 3.92Å; H435-Y593 AromaticContact ND1-CE1 3.75Å; H435-Y593 AromaticContact ND1-CZ 3.78Å; H435-Y593 PolarHBondContact ND1-OH 3.39Å
436	Q	80.4	Confident	89	Confident	21 Å²	21	36.3 Å²	36.3	10%	0.098	20%	0.195	C	C	.	.			trans	-100.3	102.1	-176.6	-59.3	-58.3	-58	0	0	109.3	K434 N589 P957	K434-Q436 PolarHBondContact O-N 3.28Å; K434-Q436 PolarHBondContact O-NE2 2.79Å; Q436-N589 HydrophobicContact CG-CB 4.01Å; Q436-N589 PolarHBondContact NE2-ND2 3.49Å; Q436-P957 HydrophobicContact CB-CG 4.03Å
437	S	85.8	Confident	89.2	Confident	40 Å²	40	41.3 Å²	41.3	28%	0.28	21%	0.214	S	C	.	.			trans	-93.5	159.9	175.8	76.1	0	0	0	0	111.6	N439 F440	S437-N439 VanDerWaalsContact C-N 3.29Å; S437-F440 PolarHBondContact OG-N 2.94Å
438	T	84.7	Confident	89.6	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.27	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.7	176.5	53.2	0	0	0	0	113.3	N82 P954 A956	N82-T438 PolarHBondContact ND2-O 3.35Å; T438-P954 HydrophobicContact CG2-CB 4.19Å; T438-P954 VanDerWaalsContact CG2-O 3.25Å; T438-P954 WeakPolarHBondContact CG2-O 3.48Å; T438-A956 HydrophobicContact CG2-CB 3.82Å
439	N	89.8	Confident	90	Very high	63 Å²	63	38 Å²	38	34%	0.337	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	34.9	-174.2	-61.9	-11.3	0	0	0	110.7	S437 G441 L442 A443	S437-N439 VanDerWaalsContact C-N 3.29Å; N439-G441 VanDerWaalsContact C-N 3.34Å; N439-G441 PolarHBondContact O-N 3.38Å; N439-L442 HydrophobicContact CB-CB 4.31Å; N439-L442 WeakPolarHBondContact O-CB 3.5Å; N439-L442 PolarHBondContact O-N 3.47Å; N439-L442 VanDerWaalsContact O-N 3.07Å; N439-A443 PolarHBondContact O-N 3.15Å
440	F	91.3	Very high	90.5	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-43.1	-172.9	-170.9	-98.4	0	0	0	112.4	L57 L59 R78 Y265 S437 L442 A443 L444	L57-F440 HydrophobicContact CB-CZ 4.13Å; L57-F440 HydrophobicContact CD2-CZ 4.12Å; L57-F440 HydrophobicContact CG-CZ 4.48Å; L59-F440 HydrophobicContact CD2-CE1 4.17Å; R78-F440 VanDerWaalsContact NH1-CZ 3.25Å; Y265-F440 AromaticContact CE2-CD1 3.56Å; Y265-F440 HydrophobicContact CE2-CD1 3.56Å; Y265-F440 HydrophobicContact CE2-CE1 4.07Å; Y265-F440 AromaticContact CZ-CD1 3.65Å; Y265-F440 WeakPolarHBondContact OH-CD1 3.42Å; S437-F440 PolarHBondContact OG-N 2.94Å; F440-L442 VanDerWaalsContact C-N 3.3Å; F440-L442 PolarHBondContact O-N 3.24Å; F440-A443 PolarHBondContact O-N 3.18Å; F440-L444 HydrophobicContact CD1-CD1 3.81Å; F440-L444 HydrophobicContact CD1-CG 4.11Å; F440-L444 HydrophobicContact CE1-CD1 3.35Å; F440-L444 HydrophobicContact CE1-CD2 4.33Å; F440-L444 HydrophobicContact CE1-CG 3.82Å; F440-L444 HydrophobicContact CZ-CD1 4.06Å; F440-L444 HydrophobicContact CZ-CD2 4.22Å; F440-L444 HydrophobicContact CZ-CG 4.16Å; F440-L444 WeakPolarHBondContact O-CG 3.22Å; F440-L444 PolarHBondContact O-N 3.17Å
441	G	94.3	Very high	91.1	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-38.3	174.7	0	0	0	0	0	113.7	Y265 N439 A445	Y265-G441 VanDerWaalsContact CD1-CA 3.41Å; Y265-G441 VanDerWaalsContact CG-CA 3.47Å; N439-G441 VanDerWaalsContact C-N 3.34Å; N439-G441 PolarHBondContact O-N 3.38Å; G441-A445 WeakPolarHBondContact O-CB 3.49Å; G441-A445 PolarHBondContact O-N 3.12Å
442	L	96	Very high	91.5	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.12	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-45.8	179.3	-178.1	64	0	0	0	110.4	L84 F131 F135 P144 N439 F440 L444 A445 S446	L84-L442 VanDerWaalsContact CD1-CA 3.47Å; L84-L442 HydrophobicContact CD1-CB 3.57Å; L84-L442 HydrophobicContact CD1-CD1 3.91Å; L84-L442 HydrophobicContact CD1-CG 4.35Å; F131-L442 HydrophobicContact CD1-CD1 4.33Å; F131-L442 HydrophobicContact CD1-CD2 4.12Å; F131-L442 HydrophobicContact CD2-CD2 3.91Å; F131-L442 HydrophobicContact CE1-CD1 4.06Å; F131-L442 HydrophobicContact CE1-CD2 4Å; F131-L442 HydrophobicContact CE2-CD2 3.76Å; F131-L442 HydrophobicContact CG-CD2 4.08Å; F131-L442 HydrophobicContact CZ-CD1 4.49Å; F131-L442 HydrophobicContact CZ-CD2 3.8Å; F135-L442 HydrophobicContact CZ-CD1 4.08Å; P144-L442 HydrophobicContact CB-CD1 3.81Å; P144-L442 HydrophobicContact CG-CD1 3.81Å; N439-L442 HydrophobicContact CB-CB 4.31Å; N439-L442 WeakPolarHBondContact O-CB 3.5Å; N439-L442 PolarHBondContact O-N 3.47Å; N439-L442 VanDerWaalsContact O-N 3.07Å; F440-L442 VanDerWaalsContact C-N 3.3Å; F440-L442 PolarHBondContact O-N 3.24Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 2.68Å; L442-A445 PolarHBondContact O-N 3.28Å; L442-S446 PolarHBondContact O-N 2.88Å; L442-S446 PolarHBondContact O-OG 3.4Å
443	A	94.2	Very high	92.2	Very high	56 Å²	56	29.6 Å²	29.6	46%	0.463	16%	0.161	S	C	.	.	H	α-helix	trans	-59.3	-40.9	176.6	0	0	0	0	0	111.7	N439 F440 Y447	N439-A443 PolarHBondContact O-N 3.15Å; F440-A443 PolarHBondContact O-N 3.18Å; A443-Y447 WeakPolarHBondContact O-CB 3.32Å; A443-Y447 PolarHBondContact O-N 3.04Å
444	L	94.6	Very high	93.1	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-48.1	174.7	-76	-173.3	0	0	0	112.4	L57 L59 F263 Y265 F440 L442 S446 Y447 I448 L462	L57-L444 HydrophobicContact CD1-CD2 4.3Å; L59-L444 HydrophobicContact CD2-CD1 3.83Å; F263-L444 HydrophobicContact CZ-CB 4.14Å; Y265-L444 HydrophobicContact CD2-CD1 4.24Å; Y265-L444 HydrophobicContact CE2-CD1 4.33Å; F440-L444 HydrophobicContact CD1-CD1 3.81Å; F440-L444 HydrophobicContact CD1-CG 4.11Å; F440-L444 HydrophobicContact CE1-CD1 3.35Å; F440-L444 HydrophobicContact CE1-CD2 4.33Å; F440-L444 HydrophobicContact CE1-CG 3.82Å; F440-L444 HydrophobicContact CZ-CD1 4.06Å; F440-L444 HydrophobicContact CZ-CD2 4.22Å; F440-L444 HydrophobicContact CZ-CG 4.16Å; F440-L444 WeakPolarHBondContact O-CG 3.22Å; F440-L444 PolarHBondContact O-N 3.17Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 2.68Å; L444-S446 VanDerWaalsContact C-N 3.33Å; L444-S446 PolarHBondContact O-N 3.09Å; L444-Y447 PolarHBondContact O-N 2.93Å; L444-I448 WeakPolarHBondContact O-CG1 3.17Å; L444-I448 PolarHBondContact O-N 3.04Å; L444-I448 VanDerWaalsContact O-N 3.14Å; L444-L462 HydrophobicContact CD2-CD2 3.77Å
445	A	97	Very high	93.7	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-46.8	178.6	0	0	0	0	0	111.3	L84 M142 F263 G441 L442 I448 A449	L84-A445 HydrophobicContact CD2-CB 4.12Å; M142-A445 HydrophobicContact SD-CB 4.35Å; F263-A445 HydrophobicContact CD1-CB 3.66Å; F263-A445 HydrophobicContact CE1-CB 3.81Å; F263-A445 HydrophobicContact CG-CB 4.36Å; G441-A445 WeakPolarHBondContact O-CB 3.49Å; G441-A445 PolarHBondContact O-N 3.12Å; L442-A445 PolarHBondContact O-N 3.28Å; A445-I448 WeakPolarHBondContact O-CG1 3.24Å; A445-A449 WeakPolarHBondContact O-CB 3.46Å; A445-A449 PolarHBondContact O-N 3.47Å
446	S	96	Very high	94.2	Very high	48 Å²	48	27.9 Å²	27.9	34%	0.336	16%	0.159	S	C	.	.	H	α-helix	trans	-66.1	-36.9	177.1	-59.8	0	0	0	0	113	L442 L444	L442-S446 PolarHBondContact O-N 2.88Å; L442-S446 PolarHBondContact O-OG 3.4Å; L444-S446 VanDerWaalsContact C-N 3.33Å; L444-S446 PolarHBondContact O-N 3.09Å
447	Y	94.7	Very high	95	Very high	113 Å²	113	29.4 Å²	29.4	44%	0.443	17%	0.168	S	C	.	.	H	α-helix	trans	-65.8	-41.2	-179.3	173	-117.2	0	0	0	112.8	A443 L444 L461	A443-Y447 WeakPolarHBondContact O-CB 3.32Å; A443-Y447 PolarHBondContact O-N 3.04Å; L444-Y447 PolarHBondContact O-N 2.93Å; Y447-L461 HydrophobicContact CE1-CB 3.8Å
448	I	97	Very high	95.5	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-83.4	-18.8	-178.2	67.1	178.9	0	0	0	113.5	L74 F263 L444 A445 S451 W452 P458 L461 L462	L74-I448 HydrophobicContact CD2-CD1 3.59Å; F263-I448 HydrophobicContact CD2-CD1 3.94Å; F263-I448 HydrophobicContact CE2-CD1 4.07Å; L444-I448 WeakPolarHBondContact O-CG1 3.17Å; L444-I448 PolarHBondContact O-N 3.04Å; L444-I448 VanDerWaalsContact O-N 3.14Å; A445-I448 WeakPolarHBondContact O-CG1 3.24Å; I448-S451 PolarHBondContact O-N 2.82Å; I448-W452 HydrophobicContact CD1-CE3 3.82Å; I448-W452 HydrophobicContact CD1-CZ3 4Å; I448-W452 HydrophobicContact CG1-CE3 4.25Å; I448-W452 VanDerWaalsContact O-CB 3.29Å; I448-W452 WeakPolarHBondContact O-CB 3.46Å; I448-W452 PolarHBondContact O-N 2.75Å; I448-P458 HydrophobicContact CB-CB 3.88Å; I448-P458 HydrophobicContact CD1-CB 3.9Å; I448-P458 HydrophobicContact CG1-CB 4.36Å; I448-P458 HydrophobicContact CG2-CB 4.12Å; I448-L461 HydrophobicContact CB-CD1 4.32Å; I448-L461 HydrophobicContact CG2-CB 4.46Å; I448-L461 HydrophobicContact CG2-CD1 4.23Å; I448-L462 HydrophobicContact CG2-CD2 4.19Å
449	A	98	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.3	-47.6	-168.7	0	0	0	0	0	115.2	Q88 Y140 M142 A445 W452 N453	Q88-A449 PolarHBondContact NE2-O 3.35Å; Y140-A449 HydrophobicContact CE2-CB 4.09Å; M142-A449 HydrophobicContact CE-CB 3.44Å; M142-A449 VanDerWaalsContact CE-CB 3.44Å; A445-A449 WeakPolarHBondContact O-CB 3.46Å; A445-A449 PolarHBondContact O-N 3.47Å; A449-W452 PolarHBondContact O-N 3.43Å; A449-N453 WeakPolarHBondContact O-CB 3.3Å; A449-N453 PolarHBondContact O-N 3.31Å
450	P	97.9	Very high	96.3	Very high	14 Å²	14	24.9 Å²	24.9	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-51	-179	-24.3	35.7	0	0	0	112	Y140 I334 G379 W452 N453 H454	Y140-P450 HydrophobicContact CE1-CG 4.22Å; I334-P450 VanDerWaalsContact CD1-C 3.45Å; I334-P450 HydrophobicContact CD1-CB 3.52Å; G379-P450 WeakPolarHBondContact O-CB 3.46Å; P450-W452 VanDerWaalsContact C-N 3.32Å; P450-W452 PolarHBondContact O-N 2.82Å; P450-N453 WeakPolarHBondContact O-CB 3.35Å; P450-N453 PolarHBondContact O-N 3.37Å; P450-N453 VanDerWaalsContact O-N 3.16Å; P450-H454 PolarHBondContact O-CD2 3.39Å; P450-H454 PolarHBondContact O-N 3.47Å
451	S	97.4	Very high	96.3	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-41.2	180	-167.8	0	0	0	0	111.4	I334 I448 N453 H454 D455 G456	I334-S451 PolarHBondContact O-OG 2.93Å; I334-S451 VanDerWaalsContact O-OG 3.13Å; I448-S451 PolarHBondContact O-N 2.82Å; S451-N453 VanDerWaalsContact C-N 3.29Å; S451-N453 PolarHBondContact O-N 3.06Å; S451-H454 CarbonylContact O-C 2.97Å; S451-H454 PolarHBondContact O-N 3.09Å; S451-H454 VanDerWaalsContact O-N 3.15Å; S451-D455 PolarHBondContact O-N 2.97Å; S451-G456 WeakPolarHBondContact O-CA 3.43Å; S451-G456 PolarHBondContact O-N 2.78Å
452	W	98.3	Very high	96.3	Very high	9 Å²	9	25 Å²	25	3%	0.034	14%	0.138	C	C	.	.	H	α-helix	trans	-69.7	-26	179.7	-158.2	15.2	0	0	0	113.1	Q72 L74 R261 F262 F263 I448 A449 P450 H454 D455 P458	Q72-W452 HydrophobicContact CB-CZ2 4.03Å; L74-W452 HydrophobicContact CB-CH2 3.41Å; L74-W452 VanDerWaalsContact CB-CH2 3.41Å; L74-W452 HydrophobicContact CB-CZ2 4Å; L74-W452 HydrophobicContact CB-CZ3 4Å; R261-W452 HydrophobicContact CB-CD2 3.98Å; R261-W452 HydrophobicContact CB-CE3 3.96Å; R261-W452 HydrophobicContact CB-CH2 4.06Å; R261-W452 HydrophobicContact CB-CZ2 4.08Å; R261-W452 HydrophobicContact CB-CZ3 4Å; R261-W452 HydrophobicContact CG-CD2 4.04Å; R261-W452 HydrophobicContact CG-CE3 4.47Å; R261-W452 HydrophobicContact CG-CG 4.25Å; F262-W452 VanDerWaalsContact O-CH2 3.32Å; F262-W452 WeakPolarHBondContact O-CH2 3.49Å; F263-W452 HydrophobicContact CB-CZ3 4.26Å; I448-W452 HydrophobicContact CD1-CE3 3.82Å; I448-W452 HydrophobicContact CD1-CZ3 4Å; I448-W452 HydrophobicContact CG1-CE3 4.25Å; I448-W452 VanDerWaalsContact O-CB 3.29Å; I448-W452 WeakPolarHBondContact O-CB 3.46Å; I448-W452 PolarHBondContact O-N 2.75Å; A449-W452 PolarHBondContact O-N 3.43Å; P450-W452 VanDerWaalsContact C-N 3.32Å; P450-W452 PolarHBondContact O-N 2.82Å; W452-H454 PolarHBondContact O-N 3.47Å; W452-D455 PolarHBondContact O-N 3.46Å; W452-P458 HydrophobicContact CD2-CB 4.27Å; W452-P458 HydrophobicContact CD2-CG 3.93Å; W452-P458 HydrophobicContact CE3-CG 4.47Å; W452-P458 HydrophobicContact CG-CB 4.3Å; W452-P458 HydrophobicContact CG-CG 4.08Å; W452-P458 HydrophobicContact CZ2-CG 4.42Å
453	N	98.5	Very high	96.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-35.5	172.2	-159.4	47.9	0	0	0	111.9	Q88 R90 D139 Y140 A449 P450 S451 D455	Q88-N453 PolarHBondContact NE2-OD1 3.49Å; R90-N453 WeakPolarHBondContact CA-OD1 3.4Å; R90-N453 VanDerWaalsContact CB-OD1 3.24Å; R90-N453 WeakPolarHBondContact CB-OD1 3.32Å; R90-N453 WeakPolarHBondContact CD-O 3.48Å; R90-N453 PolarHBondContact NH1-O 3.26Å; D139-N453 PolarHBondContact O-ND2 2.9Å; D139-N453 PolarHBondContact OD1-ND2 3.36Å; D139-N453 PolarHBondContact OD2-ND2 3.27Å; Y140-N453 WeakPolarHBondContact CB-OD1 3.39Å; A449-N453 WeakPolarHBondContact O-CB 3.3Å; A449-N453 PolarHBondContact O-N 3.31Å; P450-N453 WeakPolarHBondContact O-CB 3.35Å; P450-N453 PolarHBondContact O-N 3.37Å; P450-N453 VanDerWaalsContact O-N 3.16Å; S451-N453 VanDerWaalsContact C-N 3.29Å; S451-N453 PolarHBondContact O-N 3.06Å; N453-D455 VanDerWaalsContact C-N 3.33Å
454	H	98.3	Very high	95.7	Very high	17 Å²	17	25.4 Å²	25.4	8%	0.079	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	22.9	-179.8	-56.2	-62.8	0	0	0	112.8	D139 Y228 T335 K382 P450 S451 W452 G456	D139-H454 IonicContact OD2-CE1 2.76Å; D139-H454 PolarHBondContact OD2-CE1 2.87Å; D139-H454 IonicContact OD2-NE2 2.92Å; D139-H454 PolarHBondContact OD2-NE2 3.43Å; D139-H454 VanDerWaalsContact OD2-NE2 3.12Å; Y228-H454 PolarHBondContact OH-CE1 2.73Å; Y228-H454 VanDerWaalsContact OH-CE1 3.23Å; Y228-H454 PolarHBondContact OH-NE2 2.9Å; T335-H454 HydrophobicContact CG2-CB 3.78Å; T335-H454 WeakPolarHBondContact CG2-O 3.48Å; K382-H454 HydrophobicContact CG-CB 4.27Å; P450-H454 PolarHBondContact O-CD2 3.39Å; P450-H454 PolarHBondContact O-N 3.47Å; S451-H454 CarbonylContact O-C 2.97Å; S451-H454 PolarHBondContact O-N 3.09Å; S451-H454 VanDerWaalsContact O-N 3.15Å; W452-H454 PolarHBondContact O-N 3.47Å; H454-G456 PolarHBondContact O-N 3.2Å
455	D	97.1	Very high	95.4	Very high	82 Å²	82	27 Å²	27	44%	0.439	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	19.3	175.5	-56.5	-64.1	0	0	0	114.2	R90 R261 S451 W452 N453	R90-D455 IonicContact NH1-OD2 3.76Å; R90-D455 PolarHBondContact NH1-OD2 3.34Å; R261-D455 IonicContact CZ-OD1 2.71Å; R261-D455 IonicContact NH2-OD1 2.66Å; R261-D455 PolarHBondContact NH2-OD1 3.49Å; S451-D455 PolarHBondContact O-N 2.97Å; W452-D455 PolarHBondContact O-N 3.46Å; N453-D455 VanDerWaalsContact C-N 3.33Å
456	G	97.3	Very high	95.2	Very high	7 Å²	7	30.8 Å²	30.8	7%	0.072	16%	0.16	C	C	.	.			trans	-67.9	159.4	167.6	0	0	0	0	0	112.6	S451 H454 P458	S451-G456 WeakPolarHBondContact O-CA 3.43Å; S451-G456 PolarHBondContact O-N 2.78Å; H454-G456 PolarHBondContact O-N 3.2Å; G456-P458 VanDerWaalsContact O-CD 3.22Å; G456-P458 WeakPolarHBondContact O-CD 3.3Å
457	D	96.6	Very high	95	Very high	54 Å²	54	28.9 Å²	28.9	29%	0.289	15%	0.147	S	C	.	.			trans	-85.6	108.5	-179.1	-166.4	-17.3	0	0	0	111.6	K63 V459 E460	K63-D457 IonicContact NZ-OD1 2.66Å; K63-D457 PolarHBondContact NZ-OD1 3.43Å; K63-D457 IonicContact NZ-OD2 3.5Å; K63-D457 PolarHBondContact NZ-OD2 3.13Å; D457-V459 PolarHBondContact O-N 3.42Å; D457-V459 PolarHBondContact OD1-N 2.93Å; D457-E460 HydrophobicContact CB-CB 4.43Å; D457-E460 HydrophobicContact CB-CG 4.13Å; D457-E460 PolarHBondContact O-N 2.79Å
458	P	96	Very high	94.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-21.8	-178.4	29.7	-37.8	0	0	0	113.1	L74 I448 W452 G456 L461 L462	L74-P458 HydrophobicContact CD2-CB 3.9Å; L74-P458 HydrophobicContact CD2-CG 3.92Å; I448-P458 HydrophobicContact CB-CB 3.88Å; I448-P458 HydrophobicContact CD1-CB 3.9Å; I448-P458 HydrophobicContact CG1-CB 4.36Å; I448-P458 HydrophobicContact CG2-CB 4.12Å; W452-P458 HydrophobicContact CD2-CB 4.27Å; W452-P458 HydrophobicContact CD2-CG 3.93Å; W452-P458 HydrophobicContact CE3-CG 4.47Å; W452-P458 HydrophobicContact CG-CB 4.3Å; W452-P458 HydrophobicContact CG-CG 4.08Å; W452-P458 HydrophobicContact CZ2-CG 4.42Å; G456-P458 VanDerWaalsContact O-CD 3.22Å; G456-P458 WeakPolarHBondContact O-CD 3.3Å; P458-L461 PolarHBondContact O-N 3.4Å; P458-L462 WeakPolarHBondContact O-CG 3.47Å
459	V	96.5	Very high	94.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-74.1	-32.7	-179.9	168.5	0	0	0	0	111.8	A52 A61 K63 L74 D457 L461 L462 R463	A52-V459 HydrophobicContact CB-CG1 3.82Å; A61-V459 HydrophobicContact CB-CG2 3.84Å; K63-V459 HydrophobicContact CD-CB 4.08Å; K63-V459 HydrophobicContact CD-CG2 3.39Å; K63-V459 HydrophobicContact CG-CG2 3.89Å; L74-V459 HydrophobicContact CD1-CG2 3.82Å; D457-V459 PolarHBondContact O-N 3.42Å; D457-V459 PolarHBondContact OD1-N 2.93Å; V459-L461 VanDerWaalsContact C-N 3.28Å; V459-L461 PolarHBondContact O-N 3.29Å; V459-L462 PolarHBondContact O-N 2.76Å; V459-L462 VanDerWaalsContact O-N 3.12Å; V459-R463 PolarHBondContact O-N 3.42Å
460	E	94.4	Very high	94.6	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-35.8	175.2	-72.9	-65.5	122.1	0	0	111.6	D457 L462 R463	D457-E460 HydrophobicContact CB-CB 4.43Å; D457-E460 HydrophobicContact CB-CG 4.13Å; D457-E460 PolarHBondContact O-N 2.79Å; E460-L462 PolarHBondContact O-N 2.77Å; E460-R463 PolarHBondContact O-N 3.48Å; E460-R463 VanDerWaalsContact O-N 3.17Å; E460-R463 IonicContact OE1-CZ 2.73Å; E460-R463 IonicContact OE1-NH1 2.88Å; E460-R463 PolarHBondContact OE1-NH1 3.24Å
461	L	92.8	Very high	94.5	Very high	22 Å²	22	31.6 Å²	31.6	12%	0.115	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-29.9	174.7	-62.6	178.4	0	0	0	112.8	Y447 I448 P458 V459 R463 I464	Y447-L461 HydrophobicContact CE1-CB 3.8Å; I448-L461 HydrophobicContact CB-CD1 4.32Å; I448-L461 HydrophobicContact CG2-CB 4.46Å; I448-L461 HydrophobicContact CG2-CD1 4.23Å; P458-L461 PolarHBondContact O-N 3.4Å; V459-L461 VanDerWaalsContact C-N 3.28Å; V459-L461 PolarHBondContact O-N 3.29Å; L461-R463 VanDerWaalsContact C-N 3.34Å; L461-I464 WeakPolarHBondContact O-CG1 3.36Å
462	L	92.8	Very high	94.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-78.5	-19.4	177.9	-56.3	-179.8	0	0	0	112.5	I54 L57 L59 L444 I448 P458 V459 E460 I464	I54-L462 HydrophobicContact CD1-CB 4.43Å; I54-L462 HydrophobicContact CG1-CB 4.31Å; I54-L462 HydrophobicContact CG2-CB 4.27Å; I54-L462 WeakPolarHBondContact CG2-O 3.34Å; L57-L462 HydrophobicContact CD1-CB 4.31Å; L57-L462 HydrophobicContact CD1-CD2 4.14Å; L59-L462 HydrophobicContact CD1-CD1 4.47Å; L444-L462 HydrophobicContact CD2-CD2 3.77Å; I448-L462 HydrophobicContact CG2-CD2 4.19Å; P458-L462 WeakPolarHBondContact O-CG 3.47Å; V459-L462 PolarHBondContact O-N 2.76Å; V459-L462 VanDerWaalsContact O-N 3.12Å; E460-L462 PolarHBondContact O-N 2.77Å; L462-I464 PolarHBondContact O-N 3.35Å
463	R	91.9	Very high	94.3	Very high	62 Å²	62	39.1 Å²	39.1	23%	0.234	20%	0.203	C	C	.	.			trans	-82.5	52.4	178.5	-69	-178.9	178.6	154.3	5.7	112	E50 I54 V459 E460 L461 S465 D466 S467	E50-R463 IonicContact OE1-CZ 2.64Å; E50-R463 IonicContact OE1-NH2 3.54Å; E50-R463 PolarHBondContact OE1-NH2 3.45Å; I54-R463 HydrophobicContact CD1-CG 3.7Å; V459-R463 PolarHBondContact O-N 3.42Å; E460-R463 PolarHBondContact O-N 3.48Å; E460-R463 VanDerWaalsContact O-N 3.17Å; E460-R463 IonicContact OE1-CZ 2.73Å; E460-R463 IonicContact OE1-NH1 2.88Å; E460-R463 PolarHBondContact OE1-NH1 3.24Å; L461-R463 VanDerWaalsContact C-N 3.34Å; R463-S465 VanDerWaalsContact C-N 3.31Å; R463-S465 PolarHBondContact O-N 3.07Å; R463-D466 HydrophobicContact CB-CB 4.21Å; R463-D466 WeakPolarHBondContact O-CB 3.44Å; R463-D466 PolarHBondContact O-N 3.25Å; R463-S467 PolarHBondContact O-N 3.03Å
464	I	87.1	Confident	94.3	Very high	24 Å²	24	39.8 Å²	39.8	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-36.8	-172.3	-56	165.1	0	0	0	111.9	F341 I429 M433 L461 L462 D466 S467 V468	F341-I464 HydrophobicContact CE2-CG2 4.31Å; I429-I464 HydrophobicContact CG2-CG2 3.89Å; M433-I464 HydrophobicContact CE-CB 3.6Å; M433-I464 HydrophobicContact CE-CD1 4.01Å; M433-I464 HydrophobicContact CE-CG1 4.33Å; M433-I464 HydrophobicContact CE-CG2 4.05Å; M433-I464 HydrophobicContact CG-CD1 3.69Å; M433-I464 HydrophobicContact CG-CG2 4.38Å; M433-I464 HydrophobicContact SD-CB 3.58Å; M433-I464 VanDerWaalsContact SD-CB 3.58Å; M433-I464 HydrophobicContact SD-CD1 3.87Å; M433-I464 HydrophobicContact SD-CG1 4.33Å; M433-I464 HydrophobicContact SD-CG2 3.31Å; M433-I464 WeakPolarHBondContact SD-CG2 3.24Å; L461-I464 WeakPolarHBondContact O-CG1 3.36Å; L462-I464 PolarHBondContact O-N 3.35Å; I464-D466 VanDerWaalsContact C-N 3.26Å; I464-D466 PolarHBondContact O-N 3.29Å; I464-S467 WeakPolarHBondContact O-CB 3.49Å; I464-S467 PolarHBondContact O-N 2.84Å; I464-S467 VanDerWaalsContact O-N 3.16Å; I464-V468 HydrophobicContact CG2-CG2 4.27Å; I464-V468 WeakPolarHBondContact O-CG2 3.44Å; I464-V468 PolarHBondContact O-N 2.82Å
465	S	87.8	Confident	94.2	Very high	47 Å²	47	40.9 Å²	40.9	33%	0.329	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-33.7	175.8	-70.4	0	0	0	0	113.1	D56 R463 V468 A469	D56-S465 PolarHBondContact OD1-OG 2.84Å; D56-S465 WeakPolarHBondContact OD2-CB 3.46Å; D56-S465 PolarHBondContact OD2-OG 3.39Å; R463-S465 VanDerWaalsContact C-N 3.31Å; R463-S465 PolarHBondContact O-N 3.07Å; S465-V468 PolarHBondContact O-N 2.84Å; S465-A469 WeakPolarHBondContact O-CB 3.41Å; S465-A469 PolarHBondContact O-N 2.9Å
466	D	91.9	Very high	94.1	Very high	82 Å²	82	44.7 Å²	44.7	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-69.2	-41.7	175.8	-64.2	-20.6	0	0	0	110.2	R463 I464 A469 K470	R463-D466 HydrophobicContact CB-CB 4.21Å; R463-D466 WeakPolarHBondContact O-CB 3.44Å; R463-D466 PolarHBondContact O-N 3.25Å; I464-D466 VanDerWaalsContact C-N 3.26Å; I464-D466 PolarHBondContact O-N 3.29Å; D466-A469 PolarHBondContact O-N 3.44Å; D466-K470 WeakPolarHBondContact O-CB 3.46Å; D466-K470 VanDerWaalsContact O-CG 3.29Å; D466-K470 WeakPolarHBondContact O-CG 3.36Å; D466-K470 PolarHBondContact O-N 3.24Å
467	S	92.6	Very high	94.1	Very high	9 Å²	9	51 Å²	51	6%	0.063	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-42.5	173.4	-63.8	0	0	0	0	112.1	R463 I464 K470 F471	R463-S467 PolarHBondContact O-N 3.03Å; I464-S467 WeakPolarHBondContact O-CB 3.49Å; I464-S467 PolarHBondContact O-N 2.84Å; I464-S467 VanDerWaalsContact O-N 3.16Å; S467-K470 PolarHBondContact O-N 2.73Å; S467-F471 VanDerWaalsContact O-CB 3.23Å; S467-F471 WeakPolarHBondContact O-CB 3.21Å; S467-F471 PolarHBondContact O-N 2.89Å
468	V	92.2	Very high	94.1	Very high	27 Å²	27	51.1 Å²	51.1	16%	0.164	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-43.2	174.4	170.9	0	0	0	0	111.1	F341 L426 I464 S465 F471 R472	F341-V468 HydrophobicContact CE2-CG2 4.45Å; F341-V468 HydrophobicContact CZ-CG2 3.8Å; L426-V468 HydrophobicContact CD2-CG1 4.33Å; L426-V468 HydrophobicContact CD2-CG2 4.48Å; I464-V468 HydrophobicContact CG2-CG2 4.27Å; I464-V468 WeakPolarHBondContact O-CG2 3.44Å; I464-V468 PolarHBondContact O-N 2.82Å; S465-V468 PolarHBondContact O-N 2.84Å; V468-F471 PolarHBondContact O-N 3.22Å; V468-R472 WeakPolarHBondContact O-CG 3.11Å; V468-R472 PolarHBondContact O-N 3.01Å
469	A	93.6	Very high	94	Very high	57 Å²	57	55.7 Å²	55.7	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-46.2	178.1	0	0	0	0	0	111.8	S465 D466 F471 R472 Q473	S465-A469 WeakPolarHBondContact O-CB 3.41Å; S465-A469 PolarHBondContact O-N 2.9Å; D466-A469 PolarHBondContact O-N 3.44Å; A469-F471 VanDerWaalsContact C-N 3.33Å; A469-F471 PolarHBondContact O-N 3.16Å; A469-R472 PolarHBondContact O-N 3.4Å; A469-Q473 WeakPolarHBondContact O-CB 3.29Å; A469-Q473 PolarHBondContact O-N 3.26Å
470	K	95.9	Very high	93.9	Very high	101 Å²	101	60.9 Å²	60.9	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-42.9	174.2	-73.1	174.3	-175.7	173.4	0	111.4	F338 D466 S467 Q473 A474	F338-K470 HydrophobicContact CD2-CB 3.88Å; F338-K470 HydrophobicContact CD2-CD 4.24Å; F338-K470 HydrophobicContact CE2-CB 3.42Å; F338-K470 VanDerWaalsContact CE2-CB 3.42Å; F338-K470 HydrophobicContact CZ-CB 3.94Å; D466-K470 WeakPolarHBondContact O-CB 3.46Å; D466-K470 VanDerWaalsContact O-CG 3.29Å; D466-K470 WeakPolarHBondContact O-CG 3.36Å; D466-K470 PolarHBondContact O-N 3.24Å; S467-K470 PolarHBondContact O-N 2.73Å; K470-Q473 WeakPolarHBondContact O-CB 3.4Å; K470-Q473 PolarHBondContact O-N 2.66Å; K470-A474 PolarHBondContact O-N 3.09Å
471	F	96.1	Very high	94.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-45.7	178.4	179.2	-95.7	0	0	0	111.7	F338 F341 T342 L345 I422 L426 S467 V468 A469 Q473 A474 L475 F481 L482	F338-F471 HydrophobicContact CE2-CB 4.09Å; F338-F471 HydrophobicContact CZ-CB 4.49Å; F341-F471 HydrophobicContact CD1-CB 4.43Å; F341-F471 HydrophobicContact CE1-CB 3.89Å; F341-F471 HydrophobicContact CE1-CD2 4.47Å; F341-F471 HydrophobicContact CE1-CG 4.15Å; T342-F471 HydrophobicContact CG2-CD2 4.48Å; T342-F471 HydrophobicContact CG2-CE2 4.28Å; L345-F471 HydrophobicContact CD2-CD1 3.76Å; L345-F471 HydrophobicContact CD2-CD2 4.02Å; L345-F471 HydrophobicContact CD2-CE1 3.23Å; L345-F471 HydrophobicContact CD2-CE2 3.53Å; L345-F471 HydrophobicContact CD2-CG 4.14Å; L345-F471 HydrophobicContact CD2-CZ 3.14Å; L345-F471 HydrophobicContact CG-CZ 4.5Å; I422-F471 HydrophobicContact CG2-CE1 3.99Å; L426-F471 HydrophobicContact CD1-CD1 4.35Å; L426-F471 HydrophobicContact CD1-CE1 4.44Å; L426-F471 HydrophobicContact CD2-CD1 4.07Å; L426-F471 HydrophobicContact CD2-CE1 4.37Å; S467-F471 VanDerWaalsContact O-CB 3.23Å; S467-F471 WeakPolarHBondContact O-CB 3.21Å; S467-F471 PolarHBondContact O-N 2.89Å; V468-F471 PolarHBondContact O-N 3.22Å; A469-F471 VanDerWaalsContact C-N 3.33Å; A469-F471 PolarHBondContact O-N 3.16Å; F471-Q473 VanDerWaalsContact C-N 3.28Å; F471-Q473 PolarHBondContact O-N 2.86Å; F471-A474 PolarHBondContact O-N 2.97Å; F471-L475 HydrophobicContact CD1-CD1 4.02Å; F471-L475 HydrophobicContact CE1-CD1 3.35Å; F471-L475 HydrophobicContact CE1-CG 4.01Å; F471-L475 HydrophobicContact CZ-CD1 3.78Å; F471-L475 HydrophobicContact CZ-CD2 4.25Å; F471-L475 HydrophobicContact CZ-CG 4.06Å; F471-L475 PolarHBondContact O-N 3.41Å; F471-L475 VanDerWaalsContact O-N 3.09Å; F471-F481 HydrophobicContact CD2-CE1 4.15Å; F471-F481 HydrophobicContact CE2-CD1 4.46Å; F471-F481 AromaticContact CE2-CE1 3.92Å; F471-F481 HydrophobicContact CE2-CE1 3.92Å; F471-L482 HydrophobicContact CE2-CD2 3.89Å; F471-L482 HydrophobicContact CZ-CD1 4.45Å; F471-L482 HydrophobicContact CZ-CD2 3.97Å
472	R	95.4	Very high	94.4	Very high	85 Å²	85	59 Å²	59	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-35.6	174.3	-72.7	178.8	176.9	-73.7	2.8	112.5	E423 L426 V468 A469 K476	E423-R472 VanDerWaalsContact CD-NH1 3.29Å; E423-R472 IonicContact OE1-CZ 2.68Å; E423-R472 IonicContact OE1-NH1 2.68Å; E423-R472 PolarHBondContact OE1-NH1 3.11Å; E423-R472 IonicContact OE1-NH2 3.58Å; E423-R472 IonicContact OE2-CZ 3.64Å; E423-R472 IonicContact OE2-NH1 3.76Å; E423-R472 PolarHBondContact OE2-NH1 3.18Å; E423-R472 VanDerWaalsContact OE2-NH1 3.1Å; E423-R472 IonicContact OE2-NH2 2.75Å; E423-R472 PolarHBondContact OE2-NH2 3.05Å; L426-R472 HydrophobicContact CD1-CG 4.13Å; V468-R472 WeakPolarHBondContact O-CG 3.11Å; V468-R472 PolarHBondContact O-N 3.01Å; A469-R472 PolarHBondContact O-N 3.4Å; R472-K476 WeakPolarHBondContact O-CG 3.31Å; R472-K476 PolarHBondContact O-N 2.87Å
473	Q	96.8	Very high	94.6	Very high	90 Å²	90	60 Å²	60	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-44.8	176.1	-173.2	63.3	19.7	0	0	111.2	A469 K470 F471 L475 K476 E477	A469-Q473 WeakPolarHBondContact O-CB 3.29Å; A469-Q473 PolarHBondContact O-N 3.26Å; K470-Q473 WeakPolarHBondContact O-CB 3.4Å; K470-Q473 PolarHBondContact O-N 2.66Å; F471-Q473 VanDerWaalsContact C-N 3.28Å; F471-Q473 PolarHBondContact O-N 2.86Å; Q473-L475 VanDerWaalsContact C-N 3.32Å; Q473-L475 PolarHBondContact O-N 2.91Å; Q473-K476 WeakPolarHBondContact O-CB 3.5Å; Q473-K476 PolarHBondContact O-N 2.95Å; Q473-E477 HydrophobicContact CG-CG 4.39Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.32Å; Q473-E477 PolarHBondContact NE2-OE1 3.29Å; Q473-E477 WeakPolarHBondContact O-CG 3.46Å; Q473-E477 PolarHBondContact O-N 3Å
474	A	96.9	Very high	94.9	Very high	16 Å²	16	60.4 Å²	60.4	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-42.2	177.2	0	0	0	0	0	112.3	F338 K470 F471 K476 E477 N478 F481	F338-A474 HydrophobicContact CZ-CB 4.46Å; K470-A474 PolarHBondContact O-N 3.09Å; F471-A474 PolarHBondContact O-N 2.97Å; A474-K476 VanDerWaalsContact C-N 3.32Å; A474-K476 PolarHBondContact O-N 2.73Å; A474-E477 PolarHBondContact O-N 3.17Å; A474-N478 PolarHBondContact O-N 2.89Å; A474-F481 HydrophobicContact CB-CD1 4.17Å; A474-F481 HydrophobicContact CB-CD2 4.2Å; A474-F481 HydrophobicContact CB-CE1 4.02Å; A474-F481 HydrophobicContact CB-CE2 4.05Å; A474-F481 HydrophobicContact CB-CG 4.26Å; A474-F481 HydrophobicContact CB-CZ 3.95Å
475	L	95.8	Very high	95.5	Very high	41 Å²	41	61.2 Å²	61.2	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-35.5	174.4	-71.8	177.7	0	0	0	113.5	I422 F471 Q473 N478 F481 L482	I422-L475 HydrophobicContact CD1-CD1 4.34Å; I422-L475 HydrophobicContact CG2-CD1 3.81Å; F471-L475 HydrophobicContact CD1-CD1 4.02Å; F471-L475 HydrophobicContact CE1-CD1 3.35Å; F471-L475 HydrophobicContact CE1-CG 4.01Å; F471-L475 HydrophobicContact CZ-CD1 3.78Å; F471-L475 HydrophobicContact CZ-CD2 4.25Å; F471-L475 HydrophobicContact CZ-CG 4.06Å; F471-L475 PolarHBondContact O-N 3.41Å; F471-L475 VanDerWaalsContact O-N 3.09Å; Q473-L475 VanDerWaalsContact C-N 3.32Å; Q473-L475 PolarHBondContact O-N 2.91Å; L475-N478 CarbonylContact O-C 3.57Å; L475-F481 HydrophobicContact CD2-CB 4.44Å; L475-F481 HydrophobicContact CD2-CD1 4.07Å; L475-L482 HydrophobicContact CD2-CD1 4.02Å; L475-L482 HydrophobicContact CD2-CD2 4.5Å; L475-L482 HydrophobicContact CD2-CG 3.85Å
476	K	95.5	Very high	96	Very high	161 Å²	161	59 Å²	59	70%	0.7	30%	0.298	S	S	*	.	H	α-helix	trans	-73.7	-38.6	178.3	-72.6	173	-176	177.5	0	112.3	R472 Q473 A474	R472-K476 WeakPolarHBondContact O-CG 3.31Å; R472-K476 PolarHBondContact O-N 2.87Å; Q473-K476 WeakPolarHBondContact O-CB 3.5Å; Q473-K476 PolarHBondContact O-N 2.95Å; A474-K476 VanDerWaalsContact C-N 3.32Å; A474-K476 PolarHBondContact O-N 2.73Å
477	E	97.5	Very high	96.3	Very high	141 Å²	141	60.5 Å²	60.5	66%	0.659	30%	0.298	S	S	*	.	H	α-helix	trans	-75.3	-35.9	-178.7	-71	177.2	179.6	0	0	112.1	Q473 A474	Q473-E477 HydrophobicContact CG-CG 4.39Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.32Å; Q473-E477 PolarHBondContact NE2-OE1 3.29Å; Q473-E477 WeakPolarHBondContact O-CG 3.46Å; Q473-E477 PolarHBondContact O-N 3Å; A474-E477 PolarHBondContact O-N 3.17Å
478	N	97	Very high	96.6	Very high	55 Å²	55	67 Å²	67	29%	0.294	32%	0.322	S	S	.	.			trans	-130.8	103.3	175.8	-179.9	8.7	0	0	0	111	A474 L475 H480 F481 D484	A474-N478 PolarHBondContact O-N 2.89Å; L475-N478 CarbonylContact O-C 3.57Å; N478-H480 PolarHBondContact O-N 2.77Å; N478-H480 VanDerWaalsContact O-N 3.12Å; N478-H480 WeakPolarHBondContact OD1-CA 3.2Å; N478-H480 PolarHBondContact OD1-N 3.18Å; N478-F481 HydrophobicContact CB-CB 4.11Å; N478-F481 PolarHBondContact ND2-N 3.02Å; N478-F481 WeakPolarHBondContact O-CB 3.31Å; N478-F481 PolarHBondContact O-N 2.68Å; N478-F481 PolarHBondContact OD1-N 2.8Å; N478-D484 PolarHBondContact ND2-OD2 3.32Å
479	P	93.1	Very high	96.9	Very high	100 Å²	100	67 Å²	67	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.5	175.3	-24.5	34.7	0	0	0	114.7
480	H	96.1	Very high	97.1	Very high	109 Å²	109	64.5 Å²	64.5	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9.6	175.9	-65.5	-62.7	0	0	0	113.2	N478 L482 Q483 D484	N478-H480 PolarHBondContact O-N 2.77Å; N478-H480 VanDerWaalsContact O-N 3.12Å; N478-H480 WeakPolarHBondContact OD1-CA 3.2Å; N478-H480 PolarHBondContact OD1-N 3.18Å; H480-L482 VanDerWaalsContact C-N 3.31Å; H480-L482 PolarHBondContact O-N 2.87Å; H480-Q483 PolarHBondContact ND1-NE2 3.46Å; H480-Q483 PolarHBondContact O-N 2.99Å; H480-Q483 PolarHBondContact O-OE1 3.2Å; H480-D484 VanDerWaalsContact O-CG 3.25Å; H480-D484 PolarHBondContact O-N 3.48Å
481	F	98.1	Very high	97.2	Very high	26 Å²	26	64.2 Å²	64.2	11%	0.114	30%	0.297	C	S	.	.	H	α-helix	trans	-49.3	-48.5	-174.7	174.4	-112.1	0	0	0	113.1	T342 F471 A474 L475 N478 D484 K485	T342-F481 HydrophobicContact CG2-CE1 3.64Å; T342-F481 HydrophobicContact CG2-CZ 3.69Å; F471-F481 HydrophobicContact CD2-CE1 4.15Å; F471-F481 HydrophobicContact CE2-CD1 4.46Å; F471-F481 AromaticContact CE2-CE1 3.92Å; F471-F481 HydrophobicContact CE2-CE1 3.92Å; A474-F481 HydrophobicContact CB-CD1 4.17Å; A474-F481 HydrophobicContact CB-CD2 4.2Å; A474-F481 HydrophobicContact CB-CE1 4.02Å; A474-F481 HydrophobicContact CB-CE2 4.05Å; A474-F481 HydrophobicContact CB-CG 4.26Å; A474-F481 HydrophobicContact CB-CZ 3.95Å; L475-F481 HydrophobicContact CD2-CB 4.44Å; L475-F481 HydrophobicContact CD2-CD1 4.07Å; N478-F481 HydrophobicContact CB-CB 4.11Å; N478-F481 PolarHBondContact ND2-N 3.02Å; N478-F481 WeakPolarHBondContact O-CB 3.31Å; N478-F481 PolarHBondContact O-N 2.68Å; N478-F481 PolarHBondContact OD1-N 2.8Å; F481-D484 PolarHBondContact O-N 3.38Å; F481-K485 HydrophobicContact CE2-CG 4.42Å; F481-K485 HydrophobicContact CZ-CG 4.46Å; F481-K485 VanDerWaalsContact O-CG 3.3Å; F481-K485 WeakPolarHBondContact O-CG 3.34Å; F481-K485 PolarHBondContact O-N 3.33Å; F481-K485 VanDerWaalsContact O-N 3.12Å
482	L	98	Very high	97.2	Very high	3 Å²	3	70 Å²	70	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-71.1	-38.8	-179.8	-63.5	179.7	0	0	0	112.2	L346 L349 F417 I422 F471 L475 H480 D484 K485 V486	L346-L482 HydrophobicContact CD1-CB 4.39Å; L346-L482 HydrophobicContact CD1-CD2 4.39Å; L349-L482 HydrophobicContact CD1-CD1 3.87Å; F417-L482 HydrophobicContact CD2-CB 3.99Å; F417-L482 HydrophobicContact CD2-CD1 3.78Å; F417-L482 HydrophobicContact CE2-CB 4.02Å; F417-L482 HydrophobicContact CE2-CD1 4.34Å; I422-L482 HydrophobicContact CD1-CD1 3.85Å; I422-L482 HydrophobicContact CG1-CD1 4.4Å; F471-L482 HydrophobicContact CE2-CD2 3.89Å; F471-L482 HydrophobicContact CZ-CD1 4.45Å; F471-L482 HydrophobicContact CZ-CD2 3.97Å; L475-L482 HydrophobicContact CD2-CD1 4.02Å; L475-L482 HydrophobicContact CD2-CD2 4.5Å; L475-L482 HydrophobicContact CD2-CG 3.85Å; H480-L482 VanDerWaalsContact C-N 3.31Å; H480-L482 PolarHBondContact O-N 2.87Å; L482-D484 VanDerWaalsContact C-N 3.33Å; L482-D484 PolarHBondContact O-N 3.26Å; L482-K485 PolarHBondContact O-N 3.38Å; L482-V486 VanDerWaalsContact O-CG2 3.31Å; L482-V486 WeakPolarHBondContact O-CG2 3.29Å; L482-V486 PolarHBondContact O-N 3.25Å
483	Q	98.3	Very high	97.3	Very high	23 Å²	23	67 Å²	67	11%	0.107	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-39	176	-62.6	98	-58.1	0	0	111.9	I413 H480 V486 R487	I413-Q483 WeakPolarHBondContact O-CG 3.33Å; H480-Q483 PolarHBondContact ND1-NE2 3.46Å; H480-Q483 PolarHBondContact O-N 2.99Å; H480-Q483 PolarHBondContact O-OE1 3.2Å; Q483-V486 PolarHBondContact O-N 3.11Å; Q483-R487 WeakPolarHBondContact O-CB 3.46Å; Q483-R487 PolarHBondContact O-N 3.5Å
484	D	98.4	Very high	97.4	Very high	71 Å²	71	65.5 Å²	65.5	38%	0.38	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-42.4	176	-66.5	-25	0	0	0	110.7	N478 H480 F481 L482 R487 Y488	N478-D484 PolarHBondContact ND2-OD2 3.32Å; H480-D484 VanDerWaalsContact O-CG 3.25Å; H480-D484 PolarHBondContact O-N 3.48Å; F481-D484 PolarHBondContact O-N 3.38Å; L482-D484 VanDerWaalsContact C-N 3.33Å; L482-D484 PolarHBondContact O-N 3.26Å; D484-R487 PolarHBondContact O-N 3.45Å; D484-Y488 WeakPolarHBondContact O-CB 3.34Å; D484-Y488 PolarHBondContact O-N 2.83Å
485	K	98.3	Very high	97.4	Very high	41 Å²	41	64.7 Å²	64.7	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-42.7	173	-66.6	-64.7	-178.2	179.5	0	111.8	E339 T342 L346 F481 L482 R487 Y488 Y489	E339-K485 WeakPolarHBondContact OE1-CD 3.45Å; E339-K485 VanDerWaalsContact OE1-CE 3.3Å; E339-K485 WeakPolarHBondContact OE1-CE 3.44Å; E339-K485 IonicContact OE1-NZ 2.65Å; E339-K485 PolarHBondContact OE1-NZ 3.09Å; E339-K485 IonicContact OE2-NZ 2.68Å; E339-K485 PolarHBondContact OE2-NZ 2.63Å; T342-K485 HydrophobicContact CG2-CG 4.42Å; L346-K485 HydrophobicContact CD2-CB 3.83Å; F481-K485 HydrophobicContact CE2-CG 4.42Å; F481-K485 HydrophobicContact CZ-CG 4.46Å; F481-K485 VanDerWaalsContact O-CG 3.3Å; F481-K485 WeakPolarHBondContact O-CG 3.34Å; F481-K485 PolarHBondContact O-N 3.33Å; F481-K485 VanDerWaalsContact O-N 3.12Å; L482-K485 PolarHBondContact O-N 3.38Å; K485-R487 VanDerWaalsContact C-N 3.34Å; K485-R487 PolarHBondContact O-N 2.93Å; K485-Y488 PolarHBondContact O-N 3.39Å; K485-Y489 HydrophobicContact CD-CD2 4.37Å; K485-Y489 HydrophobicContact CD-CE2 3.99Å; K485-Y489 WeakPolarHBondContact O-CD2 3.27Å; K485-Y489 PolarHBondContact O-N 3.03Å
486	V	98.6	Very high	97.6	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-43	178.3	172.2	0	0	0	0	111.3	L346 M350 I409 I412 I413 F417 L482 Q483 F490 K491	L346-V486 HydrophobicContact CD1-CG2 3.7Å; L346-V486 HydrophobicContact CD2-CG2 3.85Å; L346-V486 HydrophobicContact CG-CG2 4.22Å; M350-V486 HydrophobicContact SD-CG2 4.23Å; I409-V486 HydrophobicContact CG2-CG1 4.05Å; I412-V486 HydrophobicContact CB-CG1 4.36Å; I412-V486 HydrophobicContact CG2-CB 4.3Å; I412-V486 HydrophobicContact CG2-CG1 3.98Å; I412-V486 HydrophobicContact CG2-CG2 3.79Å; I413-V486 HydrophobicContact CD1-CG1 4.15Å; I413-V486 HydrophobicContact CG1-CB 4.15Å; I413-V486 HydrophobicContact CG1-CG1 3.62Å; F417-V486 HydrophobicContact CE2-CG2 4.47Å; L482-V486 VanDerWaalsContact O-CG2 3.31Å; L482-V486 WeakPolarHBondContact O-CG2 3.29Å; L482-V486 PolarHBondContact O-N 3.25Å; Q483-V486 PolarHBondContact O-N 3.11Å; V486-F490 HydrophobicContact CB-CD2 4.13Å; V486-F490 HydrophobicContact CG1-CD2 3.93Å; V486-F490 HydrophobicContact CG2-CD2 4.27Å; V486-F490 HydrophobicContact CG2-CE2 4.32Å; V486-F490 WeakPolarHBondContact O-CB 3.28Å; V486-F490 WeakPolarHBondContact O-CD2 3.33Å; V486-F490 PolarHBondContact O-N 3.45Å; V486-K491 PolarHBondContact O-N 2.91Å
487	R	98.5	Very high	97.7	Very high	114 Å²	114	57.5 Å²	57.5	43%	0.43	27%	0.27	S	S	.	.	I	π-helix	trans	-59.5	-50.4	176.7	-174.3	-177.5	-57.1	-149.1	-0	111.4	I413 Q483 D484 K485 K491 E492	I413-R487 HydrophobicContact CD1-CB 4.08Å; I413-R487 HydrophobicContact CD1-CG 4.47Å; I413-R487 HydrophobicContact CG1-CB 4.36Å; Q483-R487 WeakPolarHBondContact O-CB 3.46Å; Q483-R487 PolarHBondContact O-N 3.5Å; D484-R487 PolarHBondContact O-N 3.45Å; K485-R487 VanDerWaalsContact C-N 3.34Å; K485-R487 PolarHBondContact O-N 2.93Å; R487-K491 WeakPolarHBondContact O-CB 3.18Å; R487-K491 PolarHBondContact O-N 3.42Å; R487-K491 VanDerWaalsContact O-N 3.13Å; R487-E492 WeakPolarHBondContact CD-OE1 3.09Å; R487-E492 HydrophobicContact CG-CG 4.17Å; R487-E492 WeakPolarHBondContact CG-OE1 3.04Å; R487-E492 PolarHBondContact O-N 2.96Å
488	Y	98.3	Very high	97.8	Very high	146 Å²	146	51 Å²	51	57%	0.573	24%	0.24	S	C	*	.	I	π-helix	trans	-64.9	-51.9	-177.4	-178.6	-100.4	0	0	0	112.5	D484 K485	D484-Y488 WeakPolarHBondContact O-CB 3.34Å; D484-Y488 PolarHBondContact O-N 2.83Å; K485-Y488 PolarHBondContact O-N 3.39Å
489	Y	98.4	Very high	97.8	Very high	26 Å²	26	48.3 Å²	48.3	10%	0.102	23%	0.226	C	C	.	.	I	π-helix	trans	-83.6	-22.1	-171.8	-74.8	-73	0	0	0	115	L331 E339 L343 K485 N493	L331-Y489 HydrophobicContact CB-CD1 4.41Å; L331-Y489 HydrophobicContact CD2-CD1 3.8Å; L331-Y489 HydrophobicContact CD2-CG 4.05Å; E339-Y489 WeakPolarHBondContact OE1-CE2 3.38Å; E339-Y489 PolarHBondContact OE1-OH 2.95Å; E339-Y489 VanDerWaalsContact OE1-OH 3.11Å; L343-Y489 HydrophobicContact CD1-CD1 4.47Å; L343-Y489 HydrophobicContact CD1-CD2 4.41Å; L343-Y489 HydrophobicContact CD1-CE1 4.09Å; L343-Y489 HydrophobicContact CD1-CE2 4.05Å; L343-Y489 HydrophobicContact CD2-CD2 3.5Å; L343-Y489 HydrophobicContact CD2-CE2 3.7Å; L343-Y489 HydrophobicContact CD2-CG 4.05Å; L343-Y489 HydrophobicContact CG-CE2 4.37Å; K485-Y489 HydrophobicContact CD-CD2 4.37Å; K485-Y489 HydrophobicContact CD-CE2 3.99Å; K485-Y489 WeakPolarHBondContact O-CD2 3.27Å; K485-Y489 PolarHBondContact O-N 3.03Å; Y489-N493 WeakPolarHBondContact O-CB 3.22Å; Y489-N493 PolarHBondContact O-ND2 3.5Å
490	F	97.9	Very high	98.1	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	21%	0.205	C	C	.	.	I	π-helix	trans	-120.4	-39.6	-175.3	-49.2	-66.7	0	0	0	114	Y329 L331 L346 M350 F386 I409 V486	Y329-F490 HydrophobicContact CD1-CB 4.46Å; Y329-F490 HydrophobicContact CD1-CD1 4.21Å; Y329-F490 AromaticContact CD2-CD1 3.87Å; Y329-F490 HydrophobicContact CD2-CD1 3.87Å; Y329-F490 HydrophobicContact CE1-CB 4.31Å; Y329-F490 WeakPolarHBondContact CE1-O 3.25Å; Y329-F490 HydrophobicContact CE2-CD1 4.33Å; Y329-F490 AromaticContact CG-CD1 3.8Å; Y329-F490 HydrophobicContact CG-CD1 3.8Å; L331-F490 HydrophobicContact CD2-CE1 3.96Å; L331-F490 HydrophobicContact CD2-CZ 4.26Å; L346-F490 HydrophobicContact CD2-CE2 3.99Å; M350-F490 HydrophobicContact CE-CD2 4.28Å; M350-F490 HydrophobicContact CE-CE1 4.23Å; M350-F490 HydrophobicContact CE-CE2 3.52Å; M350-F490 HydrophobicContact CE-CZ 3.5Å; M350-F490 VanDerWaalsContact CE-CZ 3.5Å; M350-F490 HydrophobicContact SD-CD2 4.35Å; M350-F490 HydrophobicContact SD-CE2 4.02Å; F386-F490 HydrophobicContact CB-CE1 3.66Å; F386-F490 HydrophobicContact CB-CZ 4.28Å; F386-F490 AromaticContact CD1-CD1 3.91Å; F386-F490 HydrophobicContact CD1-CD1 3.91Å; F386-F490 AromaticContact CD1-CE1 3.41Å; F386-F490 HydrophobicContact CD1-CE1 3.41Å; F386-F490 VanDerWaalsContact CD1-CE1 3.41Å; F386-F490 HydrophobicContact CD1-CZ 4.19Å; F386-F490 HydrophobicContact CE1-CE1 4.19Å; F386-F490 AromaticContact CG-CE1 3.63Å; F386-F490 HydrophobicContact CG-CE1 3.63Å; F386-F490 HydrophobicContact CG-CZ 4.15Å; I409-F490 HydrophobicContact CD1-CB 4.02Å; I409-F490 HydrophobicContact CG1-CB 4.41Å; I409-F490 HydrophobicContact CG2-CB 4.14Å; V486-F490 HydrophobicContact CB-CD2 4.13Å; V486-F490 HydrophobicContact CG1-CD2 3.93Å; V486-F490 HydrophobicContact CG2-CD2 4.27Å; V486-F490 HydrophobicContact CG2-CE2 4.32Å; V486-F490 WeakPolarHBondContact O-CB 3.28Å; V486-F490 WeakPolarHBondContact O-CD2 3.33Å; V486-F490 PolarHBondContact O-N 3.45Å
491	K	97.4	Very high	98.1	Very high	95 Å²	95	41.2 Å²	41.2	41%	0.413	18%	0.182	S	C	.	.	I	π-helix	trans	-83.4	-46.1	-176.7	-174.9	64.6	176.3	-167	0	113	I409 D410 I413 V486 R487	I409-K491 HydrophobicContact CG2-CB 4.22Å; D410-K491 WeakPolarHBondContact OD1-CD 3.32Å; D410-K491 WeakPolarHBondContact OD1-CE 3.47Å; D410-K491 IonicContact OD1-NZ 3.81Å; D410-K491 PolarHBondContact OD1-NZ 2.91Å; D410-K491 IonicContact OD2-NZ 2.67Å; D410-K491 PolarHBondContact OD2-NZ 2.84Å; I413-K491 HydrophobicContact CD1-CB 3.69Å; I413-K491 HydrophobicContact CD1-CG 4.08Å; V486-K491 PolarHBondContact O-N 2.91Å; R487-K491 WeakPolarHBondContact O-CB 3.18Å; R487-K491 PolarHBondContact O-N 3.42Å; R487-K491 VanDerWaalsContact O-N 3.13Å
492	E	97.3	Very high	98	Very high	122 Å²	122	40.5 Å²	40.5	57%	0.57	18%	0.18	S	C	*	.	S	Bend	trans	-90.6	-13.6	-175.8	-65.9	175.7	-179.8	0	0	112.6	R487 T494	R487-E492 WeakPolarHBondContact CD-OE1 3.09Å; R487-E492 HydrophobicContact CG-CG 4.17Å; R487-E492 WeakPolarHBondContact CG-OE1 3.04Å; R487-E492 PolarHBondContact O-N 2.96Å; E492-T494 PolarHBondContact O-N 3.03Å
493	N	97.6	Very high	97.8	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.112	19%	0.194	C	C	.	.			trans	-73.1	113.6	-176.5	-171.9	0.4	0	0	0	112.5	L330 Y489 H495	L330-N493 PolarHBondContact O-ND2 3.17Å; Y489-N493 WeakPolarHBondContact O-CB 3.22Å; Y489-N493 PolarHBondContact O-ND2 3.5Å; N493-H495 WeakPolarHBondContact OD1-CB 3.36Å; N493-H495 PolarHBondContact OD1-N 3.05Å
494	T	97.5	Very high	97.5	Very high	58 Å²	58	43.1 Å²	43.1	36%	0.356	20%	0.197	S	C	.	.			trans	-81.8	-15.5	177	49	0	0	0	0	113.4	W300 S302 P303 E492 R496	W300-T494 WeakPolarHBondContact O-CB 3.41Å; W300-T494 PolarHBondContact O-OG1 2.68Å; S302-T494 CarbonylContact C-O 3.58Å; S302-T494 VanDerWaalsContact C-O 3.23Å; P303-T494 WeakPolarHBondContact CA-O 3.14Å; P303-T494 VanDerWaalsContact N-O 3.15Å; E492-T494 PolarHBondContact O-N 3.03Å; T494-R496 PolarHBondContact O-N 3.02Å
495	H	98.6	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.218	C	C	.	.			trans	-82.7	69.6	174.7	-158.2	118.9	0	0	0	110.4	L222 P298 H299 W300 L330 N493	L222-H495 PolarHBondContact O-NE2 3.35Å; P298-H495 PolarHBondContact O-CE1 3.43Å; P298-H495 PolarHBondContact O-ND1 2.87Å; H299-H495 WeakPolarHBondContact CA-ND1 3.43Å; W300-H495 HydrophobicContact CB-CB 4.47Å; W300-H495 AromaticContact CD1-CE1 3.43Å; W300-H495 VanDerWaalsContact CD1-CE1 3.43Å; W300-H495 AromaticContact CD1-ND1 3.54Å; W300-H495 AromaticContact CD2-CD2 3.77Å; W300-H495 AromaticContact CD2-CE1 3.61Å; W300-H495 AromaticContact CD2-CG 3.84Å; W300-H495 AromaticContact CD2-ND1 3.71Å; W300-H495 AromaticContact CD2-NE2 3.64Å; W300-H495 AromaticContact CE2-CD2 3.94Å; W300-H495 AromaticContact CE2-CE1 3.34Å; W300-H495 AromaticContact CE2-ND1 3.94Å; W300-H495 AromaticContact CE2-NE2 3.32Å; W300-H495 VanDerWaalsContact CE2-NE2 3.32Å; W300-H495 AromaticContact CE3-CD2 3.78Å; W300-H495 AromaticContact CG-CE1 3.69Å; W300-H495 AromaticContact CG-CG 3.97Å; W300-H495 AromaticContact CG-ND1 3.49Å; W300-H495 AromaticContact CH2-NE2 3.87Å; W300-H495 AromaticContact CZ2-CE1 3.93Å; W300-H495 AromaticContact CZ2-NE2 3.46Å; W300-H495 WeakPolarHBondContact CZ2-NE2 3.28Å; W300-H495 AromaticContact CZ3-CD2 3.97Å; W300-H495 PolarHBondContact N-ND1 2.83Å; W300-H495 AromaticContact NE1-CE1 3.21Å; W300-H495 PolarHBondContact NE1-CE1 3.37Å; W300-H495 AromaticContact NE1-ND1 3.81Å; W300-H495 AromaticContact NE1-NE2 3.7Å; L330-H495 HydrophobicContact CB-CB 3.94Å; L330-H495 VanDerWaalsContact CB-CD2 3.41Å; L330-H495 WeakPolarHBondContact CB-CD2 3.44Å; L330-H495 HydrophobicContact CD2-CB 4.34Å; L330-H495 PolarHBondContact N-O 2.73Å; L330-H495 VanDerWaalsContact N-O 3.13Å; N493-H495 WeakPolarHBondContact OD1-CB 3.36Å; N493-H495 PolarHBondContact OD1-N 3.05Å
496	R	98.4	Very high	96.9	Very high	47 Å²	47	47.3 Å²	47.3	18%	0.177	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.7	-177.3	-175.2	-168.2	77.7	-170.3	-1	110.3	P303 R304 S328 Y329 T494	P303-R496 CarbonylContact C-O 3.23Å; P303-R496 VanDerWaalsContact CA-O 3.28Å; P303-R496 WeakPolarHBondContact CA-O 3.36Å; P303-R496 HydrophobicContact CB-CB 4.17Å; P303-R496 HydrophobicContact CG-CB 4.36Å; R304-R496 PolarHBondContact N-O 3Å; S328-R496 CarbonylContact O-C 3.39Å; S328-R496 VanDerWaalsContact O-CA 3.25Å; S328-R496 WeakPolarHBondContact O-CA 3.47Å; Y329-R496 HydrophobicContact CD1-CB 4.09Å; Y329-R496 HydrophobicContact CD1-CG 3.82Å; Y329-R496 HydrophobicContact CE1-CB 4.15Å; Y329-R496 VanDerWaalsContact CE1-CD 3.42Å; Y329-R496 HydrophobicContact CE1-CG 3.55Å; Y329-R496 HydrophobicContact CG-CG 4.43Å; T494-R496 PolarHBondContact O-N 3.02Å
497	L	98.8	Very high	96.6	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.1	173.2	178.6	64.8	0	0	0	109.8	K221 L222 W300 R304 D306 M327 S328 L499	K221-L497 HydrophobicContact CB-CD1 4.38Å; K221-L497 HydrophobicContact CB-CD2 3.64Å; L222-L497 HydrophobicContact CB-CD2 4.23Å; L222-L497 HydrophobicContact CD1-CB 3.99Å; W300-L497 HydrophobicContact CH2-CB 4.17Å; W300-L497 HydrophobicContact CH2-CD1 4.49Å; W300-L497 HydrophobicContact CZ3-CB 4.1Å; R304-L497 HydrophobicContact CB-CD1 4.3Å; R304-L497 CarbonylContact O-C 3.2Å; R304-L497 WeakPolarHBondContact O-CA 3.41Å; D306-L497 HydrophobicContact CB-CD1 4.37Å; M327-L497 CarbonylContact C-O 3.56Å; M327-L497 WeakPolarHBondContact CA-O 3.34Å; S328-L497 PolarHBondContact N-O 2.87Å; S328-L497 PolarHBondContact O-N 2.82Å; L497-L499 HydrophobicContact CD2-CB 4.31Å; L497-L499 HydrophobicContact CG-CB 4.36Å
498	T	98.6	Very high	96.1	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.5	161.8	-58.1	0	0	0	0	108.7	R304 E305 D306 L325 C326 M327 K402	R304-T498 PolarHBondContact O-N 3.09Å; E305-T498 CarbonylContact C-O 3.51Å; E305-T498 VanDerWaalsContact CA-O 3.27Å; E305-T498 WeakPolarHBondContact CA-O 3.24Å; D306-T498 PolarHBondContact N-O 2.94Å; L325-T498 HydrophobicContact CD1-CG2 3.66Å; C326-T498 CarbonylContact O-C 3.57Å; C326-T498 VanDerWaalsContact O-CA 3.31Å; C326-T498 WeakPolarHBondContact O-CA 3.46Å; M327-T498 HydrophobicContact CG-CG2 4.36Å; K402-T498 HydrophobicContact CD-CG2 4.17Å; K402-T498 HydrophobicContact CG-CG2 4.41Å
499	L	98.5	Very high	95.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.8	179.1	-180	64.9	0	0	0	109.7	Y214 H217 L218 K221 D306 V308 L325 C326 L497	Y214-L499 HydrophobicContact CD2-CD2 4.27Å; Y214-L499 HydrophobicContact CE1-CD2 4.23Å; Y214-L499 HydrophobicContact CE2-CD2 3.86Å; Y214-L499 HydrophobicContact CE2-CG 3.87Å; Y214-L499 PolarHBondContact OH-O 3.38Å; H217-L499 HydrophobicContact CB-CD2 4.22Å; L218-L499 HydrophobicContact CB-CD2 3.8Å; K221-L499 HydrophobicContact CD-CD1 3.93Å; D306-L499 HydrophobicContact CB-CD1 4.14Å; V308-L499 HydrophobicContact CG1-CD1 4.17Å; V308-L499 HydrophobicContact CG2-CD1 4.19Å; L325-L499 WeakPolarHBondContact CA-O 3.47Å; C326-L499 PolarHBondContact N-O 2.92Å; C326-L499 PolarHBondContact O-N 3.4Å; L497-L499 HydrophobicContact CD2-CB 4.31Å; L497-L499 HydrophobicContact CG-CB 4.36Å
500	R	97.6	Very high	95.5	Very high	55 Å²	55	49.6 Å²	49.6	21%	0.208	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.4	172	-176.2	177.4	148.6	-149.6	-18.9	110.9	D306 H307 V308 T324 L325 E395 S502	D306-R500 PolarHBondContact O-N 3.07Å; H307-R500 WeakPolarHBondContact CA-O 3.43Å; H307-R500 PolarHBondContact CD2-O 2.97Å; V308-R500 PolarHBondContact N-O 3.49Å; T324-R500 CarbonylContact O-C 3.56Å; T324-R500 WeakPolarHBondContact O-CA 3.42Å; L325-R500 HydrophobicContact CD1-CB 3.88Å; L325-R500 HydrophobicContact CD1-CG 4.35Å; E395-R500 IonicContact OE1-CZ 2.72Å; E395-R500 IonicContact OE1-NE 2.95Å; E395-R500 IonicContact OE1-NH1 2.73Å; E395-R500 PolarHBondContact OE1-NH1 3Å; E395-R500 IonicContact OE1-NH2 3.79Å; E395-R500 PolarHBondContact OE1-NH2 3.31Å; E395-R500 IonicContact OE2-CZ 2.87Å; E395-R500 IonicContact OE2-NE 3.88Å; E395-R500 IonicContact OE2-NH1 2.81Å; E395-R500 IonicContact OE2-NH2 3.46Å; E395-R500 PolarHBondContact OE2-NH2 2.88Å; R500-S502 PolarHBondContact NE-OG 3.36Å; R500-S502 PolarHBondContact NH2-OG 3.46Å
501	M	97.5	Very high	95.2	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.025	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.6	170.5	-176.5	172.4	76	0	0	111.2	S210 Y214 V308 C310 N323 T324	S210-M501 WeakPolarHBondContact O-CE 3.12Å; Y214-M501 HydrophobicContact CD2-CB 3.54Å; Y214-M501 HydrophobicContact CD2-CE 3.87Å; Y214-M501 HydrophobicContact CD2-CG 4.32Å; Y214-M501 HydrophobicContact CD2-SD 3.83Å; Y214-M501 HydrophobicContact CE2-CB 3.81Å; Y214-M501 HydrophobicContact CG-CE 4.28Å; Y214-M501 HydrophobicContact CG-SD 4.41Å; V308-M501 HydrophobicContact CG2-CB 3.75Å; V308-M501 HydrophobicContact CG2-CG 3.85Å; V308-M501 HydrophobicContact CG2-SD 4.23Å; V308-M501 VanDerWaalsContact O-CA 3.28Å; V308-M501 WeakPolarHBondContact O-CA 3.31Å; C310-M501 HydrophobicContact CB-CE 4.11Å; C310-M501 HydrophobicContact CB-CG 3.97Å; C310-M501 HydrophobicContact CB-SD 3.67Å; N323-M501 WeakPolarHBondContact CA-O 3.37Å; T324-M501 PolarHBondContact N-O 3.22Å; T324-M501 PolarHBondContact O-N 3.44Å
502	S	95.7	Very high	95	Very high	11 Å²	11	50.4 Å²	50.4	8%	0.077	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.8	-178.9	-42.7	0	0	0	0	111.2	H307 V308 T309 C310 N323 R500	H307-S502 PolarHBondContact NE2-OG 2.94Å; V308-S502 PolarHBondContact O-N 2.82Å; V308-S502 VanDerWaalsContact O-N 3.14Å; T309-S502 CarbonylContact C-O 3.4Å; T309-S502 WeakPolarHBondContact CA-O 3.1Å; C310-S502 PolarHBondContact N-O 3.05Å; N323-S502 VanDerWaalsContact OD1-CB 3.23Å; N323-S502 WeakPolarHBondContact OD1-CB 3.42Å; N323-S502 PolarHBondContact OD1-OG 3.17Å; R500-S502 PolarHBondContact NE-OG 3.36Å; R500-S502 PolarHBondContact NH2-OG 3.46Å
503	P	93.3	Very high	94.9	Very high	46 Å²	46	50.6 Å²	50.6	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.5	173.3	32.3	-39.5	0	0	0	111	C310 P312 Q322	C310-P503 CarbonylContact O-C 3.52Å; C310-P503 WeakPolarHBondContact O-CA 3.04Å; P312-P503 HydrophobicContact CB-CB 4.17Å; P312-P503 HydrophobicContact CG-CB 4.25Å; Q322-P503 HydrophobicContact CB-CB 4.48Å; Q322-P503 HydrophobicContact CB-CG 3.9Å
504	D	93.3	Very high	94.8	Very high	34 Å²	34	51.1 Å²	51.1	18%	0.182	26%	0.263	C	S	.	.			trans	-129.7	114.3	173.7	175.9	2.7	0	0	0	109.1	T309 C310 P312 A506 F507 K510	T309-D504 HydrophobicContact CG2-CB 4.14Å; C310-D504 PolarHBondContact O-N 3.47Å; P312-D504 WeakPolarHBondContact CD-O 3.43Å; D504-A506 PolarHBondContact O-N 2.86Å; D504-A506 VanDerWaalsContact O-N 3.08Å; D504-A506 PolarHBondContact OD1-N 2.89Å; D504-F507 HydrophobicContact CB-CB 4.18Å; D504-F507 WeakPolarHBondContact O-CB 3.31Å; D504-F507 PolarHBondContact O-N 3.18Å; D504-K510 IonicContact OD1-NZ 2.92Å; D504-K510 IonicContact OD2-NZ 2.92Å; D504-K510 PolarHBondContact OD2-NZ 3.23Å
505	E	90.6	Very high	94.8	Very high	173 Å²	173	50.5 Å²	50.5	81%	0.808	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.2	-179.5	-65.9	-68.6	170.1	0	0	113	P312	P312-E505 HydrophobicContact CG-CG 4.37Å
506	A	92.6	Very high	94.7	Very high	27 Å²	27	55 Å²	55	22%	0.223	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.7	178.6	0	0	0	0	0	113.1	D504 L508 E509 K510	D504-A506 PolarHBondContact O-N 2.86Å; D504-A506 VanDerWaalsContact O-N 3.08Å; D504-A506 PolarHBondContact OD1-N 2.89Å; A506-L508 PolarHBondContact O-N 3.33Å; A506-E509 PolarHBondContact O-N 2.78Å; A506-K510 HydrophobicContact CB-CD 4.23Å; A506-K510 HydrophobicContact CB-CG 4.35Å; A506-K510 WeakPolarHBondContact O-CB 3.41Å; A506-K510 WeakPolarHBondContact O-CG 3.43Å; A506-K510 PolarHBondContact O-N 3.38Å
507	F	91.6	Very high	94.6	Very high	20 Å²	20	58.2 Å²	58.2	9%	0.088	29%	0.294	C	S	.	.	H	α-helix	trans	-57.1	-53.8	-173.1	-177.9	-96.8	0	0	0	112.8	L213 T309 D504 E509 K510 Q511	L213-F507 HydrophobicContact CD2-CE1 4.46Å; L213-F507 HydrophobicContact CD2-CE2 4.21Å; L213-F507 HydrophobicContact CD2-CZ 3.63Å; T309-F507 WeakPolarHBondContact O-CE2 3.38Å; D504-F507 HydrophobicContact CB-CB 4.18Å; D504-F507 WeakPolarHBondContact O-CB 3.31Å; D504-F507 PolarHBondContact O-N 3.18Å; F507-E509 PolarHBondContact O-N 3.07Å; F507-K510 PolarHBondContact O-N 3.36Å; F507-Q511 HydrophobicContact CE1-CG 4.28Å; F507-Q511 VanDerWaalsContact CE1-NE2 3.26Å; F507-Q511 HydrophobicContact CZ-CG 4.44Å; F507-Q511 PolarHBondContact O-N 2.66Å
508	L	88.3	Confident	94.6	Very high	50 Å²	50	59.9 Å²	59.9	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-67.1	-37	-179.2	-65	175.8	0	0	0	112	A506 Q511 A512 P848	A506-L508 PolarHBondContact O-N 3.33Å; L508-Q511 PolarHBondContact O-N 2.81Å; L508-A512 WeakPolarHBondContact O-CB 3.15Å; L508-A512 PolarHBondContact O-N 3.15Å; L508-P848 HydrophobicContact CD1-CB 3.8Å; L508-P848 VanDerWaalsContact CD1-O 3.31Å; L508-P848 WeakPolarHBondContact CD1-O 3.28Å
509	E	90.8	Very high	94.5	Very high	144 Å²	144	60.3 Å²	60.3	67%	0.673	30%	0.303	S	S	*	.	H	α-helix	trans	-64.3	-43.2	175.5	-173.1	-176.2	171.5	0	0	111.2	A506 F507 A512 K513	A506-E509 PolarHBondContact O-N 2.78Å; F507-E509 PolarHBondContact O-N 3.07Å; E509-A512 PolarHBondContact O-N 3.05Å; E509-K513 VanDerWaalsContact O-CB 3.24Å; E509-K513 WeakPolarHBondContact O-CB 3.48Å; E509-K513 PolarHBondContact O-N 3.16Å
510	K	94.1	Very high	94.5	Very high	120 Å²	120	64.7 Å²	64.7	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-43.5	175.5	-74.6	168.5	-177.2	171.7	0	111.6	D504 A506 F507 A514	D504-K510 IonicContact OD1-NZ 2.92Å; D504-K510 IonicContact OD2-NZ 2.92Å; D504-K510 PolarHBondContact OD2-NZ 3.23Å; A506-K510 HydrophobicContact CB-CD 4.23Å; A506-K510 HydrophobicContact CB-CG 4.35Å; A506-K510 WeakPolarHBondContact O-CB 3.41Å; A506-K510 WeakPolarHBondContact O-CG 3.43Å; A506-K510 PolarHBondContact O-N 3.38Å; F507-K510 PolarHBondContact O-N 3.36Å; K510-A514 WeakPolarHBondContact O-CB 3.48Å; K510-A514 PolarHBondContact O-N 2.91Å
511	Q	92	Very high	94.5	Very high	59 Å²	59	67.5 Å²	67.5	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-48.5	175.9	-73.9	-155	-0.2	0	0	112	F507 L508 K513 A514 E515	F507-Q511 HydrophobicContact CE1-CG 4.28Å; F507-Q511 VanDerWaalsContact CE1-NE2 3.26Å; F507-Q511 HydrophobicContact CZ-CG 4.44Å; F507-Q511 PolarHBondContact O-N 2.66Å; L508-Q511 PolarHBondContact O-N 2.81Å; Q511-K513 VanDerWaalsContact C-N 3.3Å; Q511-K513 PolarHBondContact O-N 3.47Å; Q511-A514 PolarHBondContact O-N 3.44Å; Q511-E515 PolarHBondContact O-N 3.35Å
512	A	91.4	Very high	94.4	Very high	60 Å²	60	69.2 Å²	69.2	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-60.7	-40.4	178.5	0	0	0	0	0	111.9	L508 E509 E515 E516	L508-A512 WeakPolarHBondContact O-CB 3.15Å; L508-A512 PolarHBondContact O-N 3.15Å; E509-A512 PolarHBondContact O-N 3.05Å; A512-E515 PolarHBondContact O-N 3.45Å; A512-E516 WeakPolarHBondContact O-CB 3.13Å; A512-E516 PolarHBondContact O-N 2.92Å
513	K	96.1	Very high	94.5	Very high	126 Å²	126	69.5 Å²	69.5	55%	0.548	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-43.3	175.3	-177.4	177.5	171.6	-177.5	0	112.2	E509 Q511 E515 E516 E517	E509-K513 VanDerWaalsContact O-CB 3.24Å; E509-K513 WeakPolarHBondContact O-CB 3.48Å; E509-K513 PolarHBondContact O-N 3.16Å; Q511-K513 VanDerWaalsContact C-N 3.3Å; Q511-K513 PolarHBondContact O-N 3.47Å; K513-E515 VanDerWaalsContact C-N 3.31Å; K513-E515 PolarHBondContact O-N 3.33Å; K513-E516 PolarHBondContact O-N 3.22Å; K513-E517 WeakPolarHBondContact CE-OE1 3.33Å; K513-E517 HydrophobicContact CG-CG 4.47Å; K513-E517 IonicContact NZ-OE1 2.64Å; K513-E517 WeakPolarHBondContact O-CB 3.28Å; K513-E517 WeakPolarHBondContact O-CG 3.33Å; K513-E517 PolarHBondContact O-N 3.24Å
514	A	96.3	Very high	94.6	Very high	32 Å²	32	71.6 Å²	71.6	26%	0.264	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-38.3	176.7	0	0	0	0	0	111.9	L237 K510 Q511 K518	L237-A514 HydrophobicContact CD1-CB 3.84Å; L237-A514 HydrophobicContact CD2-CB 4.12Å; K510-A514 WeakPolarHBondContact O-CB 3.48Å; K510-A514 PolarHBondContact O-N 2.91Å; Q511-A514 PolarHBondContact O-N 3.44Å; A514-K518 WeakPolarHBondContact O-CB 3.49Å; A514-K518 PolarHBondContact O-N 3.46Å
515	E	95.9	Very high	94.8	Very high	44 Å²	44	75.2 Å²	75.2	21%	0.206	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-44.9	173.9	-175.2	176.8	131.6	0	0	111.4	F195 F200 K204 L237 Q511 A512 K513 K518 L519	F195-E515 HydrophobicContact CD2-CG 4.07Å; F195-E515 HydrophobicContact CE2-CG 4.42Å; F200-E515 HydrophobicContact CZ-CG 4.39Å; K204-E515 WeakPolarHBondContact CE-OE2 3.48Å; K204-E515 IonicContact NZ-OE1 3.95Å; K204-E515 PolarHBondContact NZ-OE1 2.71Å; K204-E515 IonicContact NZ-OE2 2.79Å; K204-E515 PolarHBondContact NZ-OE2 2.74Å; L237-E515 HydrophobicContact CD2-CB 4.06Å; Q511-E515 PolarHBondContact O-N 3.35Å; A512-E515 PolarHBondContact O-N 3.45Å; K513-E515 VanDerWaalsContact C-N 3.31Å; K513-E515 PolarHBondContact O-N 3.33Å; E515-K518 PolarHBondContact O-N 3.12Å; E515-L519 WeakPolarHBondContact O-CB 3.45Å; E515-L519 PolarHBondContact O-N 3.43Å
516	E	96.6	Very high	95	Very high	94 Å²	94	68.5 Å²	68.5	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.5	-178.3	58.2	-151.3	0	0	111.9	A512 K513 K518 L519 Q520	A512-E516 WeakPolarHBondContact O-CB 3.13Å; A512-E516 PolarHBondContact O-N 2.92Å; K513-E516 PolarHBondContact O-N 3.22Å; E516-K518 VanDerWaalsContact C-N 3.33Å; E516-K518 PolarHBondContact O-N 3.3Å; E516-L519 WeakPolarHBondContact O-CB 3.35Å; E516-L519 PolarHBondContact O-N 3.39Å; E516-Q520 WeakPolarHBondContact O-CG 3.33Å; E516-Q520 PolarHBondContact O-N 2.75Å; E516-Q520 WeakPolarHBondContact OE1-CG 3.42Å; E516-Q520 PolarHBondContact OE1-NE2 3.16Å
517	E	97.8	Very high	95.2	Very high	115 Å²	115	70.9 Å²	70.9	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175.5	-75.4	174.8	177.3	0	0	111.3	K513 Q520 E521	K513-E517 WeakPolarHBondContact CE-OE1 3.33Å; K513-E517 HydrophobicContact CG-CG 4.47Å; K513-E517 IonicContact NZ-OE1 2.64Å; K513-E517 WeakPolarHBondContact O-CB 3.28Å; K513-E517 WeakPolarHBondContact O-CG 3.33Å; K513-E517 PolarHBondContact O-N 3.24Å; E517-Q520 PolarHBondContact O-N 2.9Å; E517-E521 WeakPolarHBondContact O-CB 3.42Å; E517-E521 PolarHBondContact O-N 2.91Å
518	K	97.5	Very high	95.4	Very high	39 Å²	39	75.9 Å²	75.9	17%	0.17	40%	0.395	C	S	.	.	H	α-helix	trans	-64.4	-39.2	175.2	-172.2	68.2	169.9	-174.9	0	112.1	F195 D241 A514 E515 E516 K522	F195-K518 HydrophobicContact CZ-CG 4.39Å; D241-K518 WeakPolarHBondContact OD1-CE 3.46Å; D241-K518 IonicContact OD1-NZ 2.87Å; D241-K518 PolarHBondContact OD1-NZ 3.38Å; D241-K518 IonicContact OD2-NZ 3.43Å; D241-K518 PolarHBondContact OD2-NZ 3.07Å; A514-K518 WeakPolarHBondContact O-CB 3.49Å; A514-K518 PolarHBondContact O-N 3.46Å; E515-K518 PolarHBondContact O-N 3.12Å; E516-K518 VanDerWaalsContact C-N 3.33Å; E516-K518 PolarHBondContact O-N 3.3Å; K518-K522 PolarHBondContact O-N 2.79Å; K518-K522 VanDerWaalsContact O-N 3.09Å
519	L	97.8	Very high	95.8	Very high	12 Å²	12	77.3 Å²	77.3	6%	0.063	41%	0.409	C	S	.	.	H	α-helix	trans	-62.6	-49.3	175.3	179.1	60.1	0	0	0	110.6	L181 F195 E515 E516 E521 K522 I523	L181-L519 HydrophobicContact CD2-CD1 3.47Å; L181-L519 VanDerWaalsContact CD2-CD1 3.47Å; F195-L519 HydrophobicContact CD1-CD1 4.36Å; F195-L519 HydrophobicContact CD2-CB 4.16Å; F195-L519 HydrophobicContact CD2-CD1 4.11Å; F195-L519 HydrophobicContact CE1-CD1 4.21Å; F195-L519 HydrophobicContact CE2-CB 3.6Å; F195-L519 HydrophobicContact CE2-CD1 3.97Å; F195-L519 HydrophobicContact CE2-CG 4.35Å; F195-L519 HydrophobicContact CG-CD1 4.3Å; F195-L519 HydrophobicContact CZ-CB 4.13Å; F195-L519 HydrophobicContact CZ-CD1 4.01Å; E515-L519 WeakPolarHBondContact O-CB 3.45Å; E515-L519 PolarHBondContact O-N 3.43Å; E516-L519 WeakPolarHBondContact O-CB 3.35Å; E516-L519 PolarHBondContact O-N 3.39Å; L519-E521 PolarHBondContact O-N 3.28Å; L519-K522 PolarHBondContact O-N 3.37Å; L519-I523 HydrophobicContact CD1-CD1 3.76Å; L519-I523 HydrophobicContact CD1-CG1 4.22Å; L519-I523 HydrophobicContact CD2-CD1 4.49Å; L519-I523 HydrophobicContact CG-CD1 3.73Å; L519-I523 WeakPolarHBondContact O-CB 3.31Å; L519-I523 VanDerWaalsContact O-CG1 3.26Å; L519-I523 WeakPolarHBondContact O-CG1 3.38Å; L519-I523 PolarHBondContact O-N 2.91Å
520	Q	97.8	Very high	96	Very high	92 Å²	92	73.2 Å²	73.2	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-38.3	178.3	-66.1	-52.9	-38.4	0	0	112.3	E516 E517 K522 I523 S524	E516-Q520 WeakPolarHBondContact O-CG 3.33Å; E516-Q520 PolarHBondContact O-N 2.75Å; E516-Q520 WeakPolarHBondContact OE1-CG 3.42Å; E516-Q520 PolarHBondContact OE1-NE2 3.16Å; E517-Q520 PolarHBondContact O-N 2.9Å; Q520-K522 PolarHBondContact O-N 2.84Å; Q520-I523 PolarHBondContact O-N 3.07Å; Q520-S524 VanDerWaalsContact O-CB 3.26Å; Q520-S524 WeakPolarHBondContact O-CB 3.47Å; Q520-S524 PolarHBondContact O-N 2.81Å; Q520-S524 PolarHBondContact O-OG 3.38Å
521	E	96.9	Very high	96.1	Very high	115 Å²	115	72.2 Å²	72.2	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-55.1	-52	172.4	-175.4	-173.5	-174.8	0	0	110.4	E517 L519 I523 S524	E517-E521 WeakPolarHBondContact O-CB 3.42Å; E517-E521 PolarHBondContact O-N 2.91Å; L519-E521 PolarHBondContact O-N 3.28Å; E521-I523 PolarHBondContact O-N 3.19Å; E521-S524 PolarHBondContact O-N 2.72Å; E521-S524 PolarHBondContact O-OG 3.03Å
522	K	96.4	Very high	96.2	Very high	40 Å²	40	76.7 Å²	76.7	17%	0.174	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-38.5	178.1	-73.7	-163.6	-172.2	-63.4	0	113.2	W179 L181 F195 P240 D241 K518 L519 Q520 V525 L526	W179-K522 HydrophobicContact CH2-CD 4Å; W179-K522 HydrophobicContact CZ3-CD 4.06Å; L181-K522 HydrophobicContact CD1-CB 4.48Å; F195-K522 HydrophobicContact CE1-CD 3.9Å; F195-K522 HydrophobicContact CZ-CD 4Å; P240-K522 HydrophobicContact CB-CD 4.37Å; P240-K522 WeakPolarHBondContact O-CE 3.3Å; P240-K522 PolarHBondContact O-NZ 3.46Å; D241-K522 IonicContact OD1-NZ 3.68Å; D241-K522 PolarHBondContact OD1-NZ 3.34Å; D241-K522 VanDerWaalsContact OD1-NZ 3.14Å; K518-K522 PolarHBondContact O-N 2.79Å; K518-K522 VanDerWaalsContact O-N 3.09Å; L519-K522 PolarHBondContact O-N 3.37Å; Q520-K522 PolarHBondContact O-N 2.84Å; K522-V525 VanDerWaalsContact O-CG2 3.27Å; K522-V525 WeakPolarHBondContact O-CG2 3.49Å; K522-L526 WeakPolarHBondContact O-CG 3.08Å
523	I	96.8	Very high	96.5	Very high	17 Å²	17	78.1 Å²	78.1	9%	0.087	40%	0.4	C	S	.	.	H	α-helix	trans	-70.4	-35.9	180	-70.4	171.5	0	0	0	111.5	L193 L519 Q520 E521 V525 L526 R531	L193-I523 HydrophobicContact CB-CD1 3.84Å; L193-I523 HydrophobicContact CB-CG1 4.24Å; L193-I523 HydrophobicContact CD1-CG1 4.24Å; L519-I523 HydrophobicContact CD1-CD1 3.76Å; L519-I523 HydrophobicContact CD1-CG1 4.22Å; L519-I523 HydrophobicContact CD2-CD1 4.49Å; L519-I523 HydrophobicContact CG-CD1 3.73Å; L519-I523 WeakPolarHBondContact O-CB 3.31Å; L519-I523 VanDerWaalsContact O-CG1 3.26Å; L519-I523 WeakPolarHBondContact O-CG1 3.38Å; L519-I523 PolarHBondContact O-N 2.91Å; Q520-I523 PolarHBondContact O-N 3.07Å; E521-I523 PolarHBondContact O-N 3.19Å; I523-V525 VanDerWaalsContact C-N 3.28Å; I523-V525 PolarHBondContact O-N 3.26Å; I523-L526 WeakPolarHBondContact O-CB 3.43Å; I523-L526 PolarHBondContact O-N 3.16Å; I523-R531 PolarHBondContact O-NH2 3.1Å
524	S	96.3	Very high	96.5	Very high	91 Å²	91	73.1 Å²	73.1	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-66.8	-27.8	-173.9	72.1	0	0	0	0	113.8	Q520 E521	Q520-S524 VanDerWaalsContact O-CB 3.26Å; Q520-S524 WeakPolarHBondContact O-CB 3.47Å; Q520-S524 PolarHBondContact O-N 2.81Å; Q520-S524 PolarHBondContact O-OG 3.38Å; E521-S524 PolarHBondContact O-N 2.72Å; E521-S524 PolarHBondContact O-OG 3.03Å
525	V	96.6	Very high	96.5	Very high	109 Å²	109	74.2 Å²	74.2	66%	0.661	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.6	179.2	-60.8	0	0	0	0	113.3	K522 I523 T527	K522-V525 VanDerWaalsContact O-CG2 3.27Å; K522-V525 WeakPolarHBondContact O-CG2 3.49Å; I523-V525 VanDerWaalsContact C-N 3.28Å; I523-V525 PolarHBondContact O-N 3.26Å; V525-T527 PolarHBondContact O-N 3.44Å
526	L	96.4	Very high	96.6	Very high	33 Å²	33	76.5 Å²	76.5	17%	0.173	39%	0.387	C	S	.	.			trans	-72.4	124.6	-179.8	-59.5	177.1	0	0	0	111.3	L181 L193 K522 I523 D530 R531 I534	L181-L526 HydrophobicContact CD1-CD1 4.13Å; L193-L526 HydrophobicContact CD1-CD1 3.82Å; K522-L526 WeakPolarHBondContact O-CG 3.08Å; I523-L526 WeakPolarHBondContact O-CB 3.43Å; I523-L526 PolarHBondContact O-N 3.16Å; L526-D530 HydrophobicContact CB-CB 4.2Å; L526-D530 HydrophobicContact CD2-CB 3.93Å; L526-R531 HydrophobicContact CB-CG 3.97Å; L526-R531 HydrophobicContact CD1-CG 4.25Å; L526-I534 HydrophobicContact CD1-CD1 3.68Å; L526-I534 HydrophobicContact CD2-CD1 3.88Å; L526-I534 HydrophobicContact CG-CD1 4.42Å
527	T	96.9	Very high	96.6	Very high	76 Å²	76	74.1 Å²	74.1	47%	0.466	38%	0.375	S	S	.	.			trans	-72.4	165.2	166.7	70.6	0	0	0	0	111.1	V525 S529 D530 R531	V525-T527 PolarHBondContact O-N 3.44Å; T527-S529 PolarHBondContact O-N 3.32Å; T527-S529 PolarHBondContact OG1-N 3.14Å; T527-D530 WeakPolarHBondContact CB-OD2 3.43Å; T527-D530 WeakPolarHBondContact CG2-OD2 3.48Å; T527-D530 PolarHBondContact N-OD2 2.9Å; T527-D530 PolarHBondContact O-N 3.37Å; T527-D530 VanDerWaalsContact O-N 3.11Å; T527-D530 PolarHBondContact OG1-N 3Å; T527-D530 PolarHBondContact OG1-OD1 3.33Å; T527-D530 PolarHBondContact OG1-OD2 3.29Å; T527-R531 WeakPolarHBondContact O-CG 3.47Å; T527-R531 PolarHBondContact O-N 3.12Å
528	D	94.4	Very high	96.5	Very high	126 Å²	126	68.9 Å²	68.9	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-59.2	-27.1	172.7	-71.1	-22.3	0	0	0	112.7	K532	D528-K532 VanDerWaalsContact O-CG 3.3Å; D528-K532 WeakPolarHBondContact O-CG 3.22Å; D528-K532 PolarHBondContact O-N 3.49Å
529	S	96.2	Very high	96.4	Very high	80 Å²	80	69.4 Å²	69.4	56%	0.559	36%	0.356	S	S	*	.	H	α-helix	trans	-70.2	-47.2	174.3	-167.7	0	0	0	0	110.8	T527 R531 K532 E533	T527-S529 PolarHBondContact O-N 3.32Å; T527-S529 PolarHBondContact OG1-N 3.14Å; S529-R531 VanDerWaalsContact C-N 3.31Å; S529-R531 PolarHBondContact O-N 3.27Å; S529-K532 PolarHBondContact O-N 3.24Å; S529-K532 VanDerWaalsContact O-N 3.16Å; S529-E533 PolarHBondContact O-N 3.35Å
530	D	96.4	Very high	96.3	Very high	57 Å²	57	73.6 Å²	73.6	31%	0.305	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-40.8	179.7	-51.9	-39.2	0	0	0	110.9	L526 T527 K532 E533 I534	L526-D530 HydrophobicContact CB-CB 4.2Å; L526-D530 HydrophobicContact CD2-CB 3.93Å; T527-D530 WeakPolarHBondContact CB-OD2 3.43Å; T527-D530 WeakPolarHBondContact CG2-OD2 3.48Å; T527-D530 PolarHBondContact N-OD2 2.9Å; T527-D530 PolarHBondContact O-N 3.37Å; T527-D530 VanDerWaalsContact O-N 3.11Å; T527-D530 PolarHBondContact OG1-N 3Å; T527-D530 PolarHBondContact OG1-OD1 3.33Å; T527-D530 PolarHBondContact OG1-OD2 3.29Å; D530-K532 VanDerWaalsContact C-N 3.34Å; D530-K532 PolarHBondContact O-N 3.17Å; D530-E533 PolarHBondContact O-N 3.17Å; D530-I534 WeakPolarHBondContact O-CB 3.29Å; D530-I534 VanDerWaalsContact O-CG1 3.3Å; D530-I534 WeakPolarHBondContact O-CG1 3.31Å; D530-I534 PolarHBondContact O-N 3.43Å
531	R	95.2	Very high	96.2	Very high	99 Å²	99	69.3 Å²	69.3	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-41.8	175.6	-69.6	175.5	-179.2	-88.5	-2.4	112.4	I523 L526 T527 S529 Y535	I523-R531 PolarHBondContact O-NH2 3.1Å; L526-R531 HydrophobicContact CB-CG 3.97Å; L526-R531 HydrophobicContact CD1-CG 4.25Å; T527-R531 WeakPolarHBondContact O-CG 3.47Å; T527-R531 PolarHBondContact O-N 3.12Å; S529-R531 VanDerWaalsContact C-N 3.31Å; S529-R531 PolarHBondContact O-N 3.27Å; R531-Y535 WeakPolarHBondContact O-CB 3.46Å; R531-Y535 PolarHBondContact O-N 3Å
532	K	95.4	Very high	96.1	Very high	153 Å²	153	65.8 Å²	65.8	67%	0.665	34%	0.34	S	S	*	.	H	α-helix	trans	-66.7	-39.6	175.6	-74.9	172.3	-176.1	173.5	0	111.6	D528 S529 D530 Y535 Q536	D528-K532 VanDerWaalsContact O-CG 3.3Å; D528-K532 WeakPolarHBondContact O-CG 3.22Å; D528-K532 PolarHBondContact O-N 3.49Å; S529-K532 PolarHBondContact O-N 3.24Å; S529-K532 VanDerWaalsContact O-N 3.16Å; D530-K532 VanDerWaalsContact C-N 3.34Å; D530-K532 PolarHBondContact O-N 3.17Å; K532-Y535 PolarHBondContact O-N 2.97Å; K532-Q536 WeakPolarHBondContact O-CB 3.37Å; K532-Q536 PolarHBondContact O-N 3.21Å
533	E	96.3	Very high	96	Very high	91 Å²	91	66.8 Å²	66.8	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-46.5	177	-171.2	-179.2	157.9	0	0	111.4	S529 D530 Y535 Q536 K537	S529-E533 PolarHBondContact O-N 3.35Å; D530-E533 PolarHBondContact O-N 3.17Å; E533-Y535 VanDerWaalsContact C-N 3.34Å; E533-Y535 PolarHBondContact O-N 2.63Å; E533-Q536 PolarHBondContact O-N 2.89Å; E533-K537 HydrophobicContact CG-CD 4.13Å; E533-K537 HydrophobicContact CG-CG 4.4Å; E533-K537 WeakPolarHBondContact O-CB 3.07Å; E533-K537 WeakPolarHBondContact O-CG 3.42Å; E533-K537 PolarHBondContact O-N 2.99Å; E533-K537 WeakPolarHBondContact OE1-CE 3.34Å; E533-K537 IonicContact OE1-NZ 2.56Å; E533-K537 PolarHBondContact OE1-NZ 2.96Å
534	I	96.7	Very high	95.8	Very high	21 Å²	21	66.7 Å²	66.7	11%	0.108	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-47.7	175.7	-71.9	164.4	0	0	0	110.7	L181 L193 L526 D530 Q536 K537 G538	L181-I534 HydrophobicContact CB-CD1 4.49Å; L181-I534 HydrophobicContact CB-CG2 4.24Å; L181-I534 HydrophobicContact CD1-CD1 4.13Å; L181-I534 WeakPolarHBondContact O-CG2 3.24Å; L193-I534 HydrophobicContact CD2-CG2 3.96Å; L526-I534 HydrophobicContact CD1-CD1 3.68Å; L526-I534 HydrophobicContact CD2-CD1 3.88Å; L526-I534 HydrophobicContact CG-CD1 4.42Å; D530-I534 WeakPolarHBondContact O-CB 3.29Å; D530-I534 VanDerWaalsContact O-CG1 3.3Å; D530-I534 WeakPolarHBondContact O-CG1 3.31Å; D530-I534 PolarHBondContact O-N 3.43Å; I534-Q536 PolarHBondContact O-N 3.46Å; I534-K537 PolarHBondContact O-N 3.26Å; I534-G538 PolarHBondContact O-N 2.73Å
535	Y	96.8	Very high	95.5	Very high	55 Å²	55	63.3 Å²	63.3	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-45.8	177.4	176.1	-109.6	0	0	0	111.9	P186 T187 P189 R531 K532 E533 G538 L539	P186-Y535 WeakPolarHBondContact O-CE2 3.43Å; T187-Y535 PolarHBondContact O-OH 3.26Å; P189-Y535 HydrophobicContact CB-CD1 4.2Å; P189-Y535 HydrophobicContact CB-CD2 3.71Å; P189-Y535 HydrophobicContact CB-CE1 4.24Å; P189-Y535 HydrophobicContact CB-CE2 3.75Å; P189-Y535 HydrophobicContact CB-CG 3.93Å; P189-Y535 HydrophobicContact CG-CE1 4.39Å; P189-Y535 HydrophobicContact CG-CE2 4.16Å; R531-Y535 WeakPolarHBondContact O-CB 3.46Å; R531-Y535 PolarHBondContact O-N 3Å; K532-Y535 PolarHBondContact O-N 2.97Å; E533-Y535 VanDerWaalsContact C-N 3.34Å; E533-Y535 PolarHBondContact O-N 2.63Å; Y535-G538 PolarHBondContact O-N 2.87Å; Y535-L539 HydrophobicContact CD1-CD1 4.25Å; Y535-L539 HydrophobicContact CE1-CD1 3.6Å; Y535-L539 HydrophobicContact CE1-CG 4.37Å; Y535-L539 HydrophobicContact CE2-CD1 4.34Å; Y535-L539 HydrophobicContact CE2-CG 4.32Å; Y535-L539 PolarHBondContact O-N 3.29Å
536	Q	97.1	Very high	95.2	Very high	92 Å²	92	61.3 Å²	61.3	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-45.9	-179.9	-178.1	56.3	39.5	0	0	112.1	K532 E533 I534 G538 L539 E540	K532-Q536 WeakPolarHBondContact O-CB 3.37Å; K532-Q536 PolarHBondContact O-N 3.21Å; E533-Q536 PolarHBondContact O-N 2.89Å; I534-Q536 PolarHBondContact O-N 3.46Å; Q536-G538 VanDerWaalsContact C-N 3.29Å; Q536-G538 PolarHBondContact O-N 3.43Å; Q536-L539 PolarHBondContact O-N 2.89Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.49Å; Q536-E540 PolarHBondContact NE2-OE1 3.48Å; Q536-E540 WeakPolarHBondContact O-CG 3.45Å; Q536-E540 PolarHBondContact O-N 3.3Å
537	K	96.5	Very high	94.8	Very high	44 Å²	44	66.9 Å²	66.9	19%	0.191	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-36.2	174.6	-75.1	-178.6	167.4	174	0	111.8	E171 W175 E533 I534 E540 L541	E171-K537 VanDerWaalsContact CD-NZ 3.26Å; E171-K537 IonicContact OE1-NZ 3.48Å; E171-K537 PolarHBondContact OE1-NZ 3.47Å; E171-K537 WeakPolarHBondContact OE2-CE 3.42Å; E171-K537 IonicContact OE2-NZ 2.69Å; E171-K537 PolarHBondContact OE2-NZ 2.95Å; W175-K537 HydrophobicContact CE3-CB 4.2Å; W175-K537 HydrophobicContact CH2-CB 3.38Å; W175-K537 HydrophobicContact CH2-CD 3.38Å; W175-K537 HydrophobicContact CH2-CG 4Å; W175-K537 HydrophobicContact CZ2-CB 4.31Å; W175-K537 HydrophobicContact CZ2-CD 3.55Å; W175-K537 HydrophobicContact CZ3-CB 3.31Å; W175-K537 HydrophobicContact CZ3-CD 4.16Å; W175-K537 HydrophobicContact CZ3-CG 4.36Å; E533-K537 HydrophobicContact CG-CD 4.13Å; E533-K537 HydrophobicContact CG-CG 4.4Å; E533-K537 WeakPolarHBondContact O-CB 3.07Å; E533-K537 WeakPolarHBondContact O-CG 3.42Å; E533-K537 PolarHBondContact O-N 2.99Å; E533-K537 WeakPolarHBondContact OE1-CE 3.34Å; E533-K537 IonicContact OE1-NZ 2.56Å; E533-K537 PolarHBondContact OE1-NZ 2.96Å; I534-K537 PolarHBondContact O-N 3.26Å; K537-E540 PolarHBondContact O-N 3.2Å; K537-L541 WeakPolarHBondContact O-CB 3.43Å; K537-L541 PolarHBondContact O-N 3.23Å
538	G	95.7	Very high	94	Very high	5 Å²	5	69.6 Å²	69.6	5%	0.052	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-44	172.9	0	0	0	0	0	112.7	I534 Y535 Q536 L541 L542	I534-G538 PolarHBondContact O-N 2.73Å; Y535-G538 PolarHBondContact O-N 2.87Å; Q536-G538 VanDerWaalsContact C-N 3.29Å; Q536-G538 PolarHBondContact O-N 3.43Å; G538-L541 PolarHBondContact O-N 3.12Å; G538-L542 WeakPolarHBondContact O-CB 3.36Å; G538-L542 PolarHBondContact O-N 2.89Å
539	L	96.2	Very high	93.5	Very high	49 Å²	49	66.7 Å²	66.7	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-39.5	173.7	-71.5	178.5	0	0	0	112.5	P186 T187 Y535 Q536 L542 A543	P186-L539 VanDerWaalsContact O-CD2 3.26Å; P186-L539 WeakPolarHBondContact O-CD2 3.37Å; T187-L539 HydrophobicContact CG2-CD2 4.45Å; Y535-L539 HydrophobicContact CD1-CD1 4.25Å; Y535-L539 HydrophobicContact CE1-CD1 3.6Å; Y535-L539 HydrophobicContact CE1-CG 4.37Å; Y535-L539 HydrophobicContact CE2-CD1 4.34Å; Y535-L539 HydrophobicContact CE2-CG 4.32Å; Y535-L539 PolarHBondContact O-N 3.29Å; Q536-L539 PolarHBondContact O-N 2.89Å; L539-L542 PolarHBondContact O-N 3.48Å; L539-A543 VanDerWaalsContact O-CB 3.31Å; L539-A543 WeakPolarHBondContact O-CB 3.27Å; L539-A543 PolarHBondContact O-N 2.98Å
540	E	95.9	Very high	93.2	Very high	100 Å²	100	68.5 Å²	68.5	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-44.4	176.9	-74.4	169.9	-163.8	0	0	111.8	Q536 K537 A543 A544	Q536-E540 WeakPolarHBondContact CG-OE1 3.49Å; Q536-E540 PolarHBondContact NE2-OE1 3.48Å; Q536-E540 WeakPolarHBondContact O-CG 3.45Å; Q536-E540 PolarHBondContact O-N 3.3Å; K537-E540 PolarHBondContact O-N 3.2Å; E540-A543 PolarHBondContact O-N 2.95Å; E540-A544 WeakPolarHBondContact O-CB 3.42Å; E540-A544 PolarHBondContact O-N 2.83Å
541	L	95.6	Very high	93.1	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-47.3	174	177	59	0	0	0	111.2	Q172 W175 Q176 K537 G538 A543 A544 Q545	Q172-L541 HydrophobicContact CB-CD1 4.25Å; W175-L541 HydrophobicContact CB-CD2 4.32Å; Q176-L541 HydrophobicContact CB-CD1 4.42Å; K537-L541 WeakPolarHBondContact O-CB 3.43Å; K537-L541 PolarHBondContact O-N 3.23Å; G538-L541 PolarHBondContact O-N 3.12Å; L541-A543 VanDerWaalsContact C-N 3.29Å; L541-A543 PolarHBondContact O-N 2.95Å; L541-A544 WeakPolarHBondContact O-CB 3.33Å; L541-A544 PolarHBondContact O-N 2.9Å; L541-A544 VanDerWaalsContact O-N 3.12Å; L541-Q545 HydrophobicContact CD1-CG 4.18Å; L541-Q545 HydrophobicContact CG-CG 4.49Å; L541-Q545 WeakPolarHBondContact O-CB 3.47Å; L541-Q545 VanDerWaalsContact O-CG 3.32Å; L541-Q545 WeakPolarHBondContact O-CG 3.44Å; L541-Q545 PolarHBondContact O-N 3.04Å
542	L	94.3	Very high	93	Very high	42 Å²	42	66 Å²	66	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-40.5	177.5	179.4	62.8	0	0	0	111.8	P186 T187 G538 L539 Q545 S546 K890	P186-L542 HydrophobicContact CB-CD2 4.15Å; T187-L542 HydrophobicContact CG2-CD2 4.12Å; G538-L542 WeakPolarHBondContact O-CB 3.36Å; G538-L542 PolarHBondContact O-N 2.89Å; L539-L542 PolarHBondContact O-N 3.48Å; L542-Q545 PolarHBondContact O-N 3.12Å; L542-S546 WeakPolarHBondContact O-CB 3.42Å; L542-S546 PolarHBondContact O-N 3.01Å; L542-S546 PolarHBondContact O-OG 3.21Å; L542-K890 HydrophobicContact CD1-CD 4.26Å; L542-K890 HydrophobicContact CD1-CG 4.4Å
543	A	94.3	Very high	93.1	Very high	60 Å²	60	61.2 Å²	61.2	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175	0	0	0	0	0	111.2	L539 E540 L541 Q545 S546 K547	L539-A543 VanDerWaalsContact O-CB 3.31Å; L539-A543 WeakPolarHBondContact O-CB 3.27Å; L539-A543 PolarHBondContact O-N 2.98Å; E540-A543 PolarHBondContact O-N 2.95Å; L541-A543 VanDerWaalsContact C-N 3.29Å; L541-A543 PolarHBondContact O-N 2.95Å; A543-Q545 VanDerWaalsContact C-N 3.34Å; A543-Q545 PolarHBondContact O-N 3.05Å; A543-S546 PolarHBondContact O-N 3.47Å; A543-K547 VanDerWaalsContact O-CB 3.23Å; A543-K547 WeakPolarHBondContact O-CB 3.44Å; A543-K547 PolarHBondContact O-N 3.43Å
544	A	92	Very high	93.1	Very high	15 Å²	15	57.1 Å²	57.1	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-37.6	175.8	0	0	0	0	0	112.4	R117 E540 L541	R117-A544 PolarHBondContact NH1-O 3.36Å; R117-A544 VanDerWaalsContact NH1-O 3.1Å; E540-A544 WeakPolarHBondContact O-CB 3.42Å; E540-A544 PolarHBondContact O-N 2.83Å; L541-A544 WeakPolarHBondContact O-CB 3.33Å; L541-A544 PolarHBondContact O-N 2.9Å; L541-A544 VanDerWaalsContact O-N 3.12Å
545	Q	91.4	Very high	93.1	Very high	20 Å²	20	57.3 Å²	57.3	9%	0.093	32%	0.32	C	S	.	.	H	α-helix	trans	-70.9	-30.3	176.3	-71.8	172.3	-24.8	0	0	112.8	R117 L541 L542 A543 E889 K890	R117-Q545 VanDerWaalsContact NH2-CG 3.34Å; L541-Q545 HydrophobicContact CD1-CG 4.18Å; L541-Q545 HydrophobicContact CG-CG 4.49Å; L541-Q545 WeakPolarHBondContact O-CB 3.47Å; L541-Q545 VanDerWaalsContact O-CG 3.32Å; L541-Q545 WeakPolarHBondContact O-CG 3.44Å; L541-Q545 PolarHBondContact O-N 3.04Å; L542-Q545 PolarHBondContact O-N 3.12Å; A543-Q545 VanDerWaalsContact C-N 3.34Å; A543-Q545 PolarHBondContact O-N 3.05Å; Q545-E889 HydrophobicContact CG-CB 4.41Å; Q545-E889 VanDerWaalsContact NE2-C 3.32Å; Q545-E889 PolarHBondContact NE2-O 2.98Å; Q545-K890 HydrophobicContact CB-CG 4.19Å
546	S	88.6	Confident	93.1	Very high	68 Å²	68	56.4 Å²	56.4	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-92.1	-13.7	-177.9	-54.2	0	0	0	0	113.1	L542 A543 K890	L542-S546 WeakPolarHBondContact O-CB 3.42Å; L542-S546 PolarHBondContact O-N 3.01Å; L542-S546 PolarHBondContact O-OG 3.21Å; A543-S546 PolarHBondContact O-N 3.47Å; S546-K890 WeakPolarHBondContact OG-CE 3.32Å; S546-K890 PolarHBondContact OG-NZ 2.94Å
547	K	88.3	Confident	93.1	Very high	149 Å²	149	52.3 Å²	52.3	65%	0.648	31%	0.305	S	S	*	.	S	Bend	trans	-84.3	121.7	-176.9	-176.3	177.1	-178.5	-178	0	111	A543 Q549	A543-K547 VanDerWaalsContact O-CB 3.23Å; A543-K547 WeakPolarHBondContact O-CB 3.44Å; A543-K547 PolarHBondContact O-N 3.43Å; K547-Q549 HydrophobicContact CG-CG 4.49Å; K547-Q549 PolarHBondContact O-N 3.49Å
548	T	81.9	Confident	93	Very high	133 Å²	133	59.1 Å²	59.1	82%	0.816	33%	0.33	S	S	*	.			trans	-63.4	116.7	164.3	-51.9	0	0	0	0	109.5
549	Q	83.4	Confident	93	Very high	65 Å²	65	60.4 Å²	60.4	30%	0.304	34%	0.336	S	S	.	.			trans	-104.4	149.7	179.2	-63.2	-179.2	23.9	0	0	111.1	K547 A551	K547-Q549 HydrophobicContact CG-CG 4.49Å; K547-Q549 PolarHBondContact O-N 3.49Å; Q549-A551 PolarHBondContact O-N 3.06Å
550	D	90.1	Very high	92.9	Very high	118 Å²	118	62.6 Å²	62.6	63%	0.631	36%	0.356	S	S	*	.			trans	-65.6	132.4	170.5	-176.8	23.8	0	0	0	110.6	S552	D550-S552 VanDerWaalsContact CG-OG 3.28Å; D550-S552 WeakPolarHBondContact OD1-CB 3.42Å; D550-S552 PolarHBondContact OD1-N 2.81Å; D550-S552 PolarHBondContact OD1-OG 3.36Å; D550-S552 WeakPolarHBondContact OD2-CB 3.47Å; D550-S552 PolarHBondContact OD2-OG 3.33Å
551	A	93.2	Very high	92.9	Very high	18 Å²	18	60.9 Å²	60.9	15%	0.149	35%	0.35	C	S	.	.			trans	-114.8	11.6	177.9	0	0	0	0	0	112	K122 R126 Q549 C553 L554	K122-A551 HydrophobicContact CD-CB 4.01Å; R126-A551 PolarHBondContact NH2-O 3.48Å; Q549-A551 PolarHBondContact O-N 3.06Å; A551-C553 PolarHBondContact O-N 2.99Å; A551-L554 HydrophobicContact CB-CD1 4.34Å; A551-L554 WeakPolarHBondContact O-CB 3.4Å; A551-L554 PolarHBondContact O-N 3.42Å
552	S	93.9	Very high	92.8	Very high	85 Å²	85	61 Å²	61	59%	0.594	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	-178.6	70.6	0	0	0	0	114.2	D550 L554	D550-S552 VanDerWaalsContact CG-OG 3.28Å; D550-S552 WeakPolarHBondContact OD1-CB 3.42Å; D550-S552 PolarHBondContact OD1-N 2.81Å; D550-S552 PolarHBondContact OD1-OG 3.36Å; D550-S552 WeakPolarHBondContact OD2-CB 3.47Å; D550-S552 PolarHBondContact OD2-OG 3.33Å; S552-L554 PolarHBondContact O-N 3.32Å
553	C	96.3	Very high	92.8	Very high	53 Å²	53	65.3 Å²	65.3	36%	0.358	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.7	173.9	62.7	0	0	0	0	113.1	Y114 A551	Y114-C553 VanDerWaalsContact CD1-O 3.3Å; Y114-C553 WeakPolarHBondContact CD1-O 3.19Å; Y114-C553 VanDerWaalsContact CE1-O 3.27Å; Y114-C553 WeakPolarHBondContact CE1-O 2.93Å; A551-C553 PolarHBondContact O-N 2.99Å
554	L	97.4	Very high	92.8	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	37%	0.372	C	S	.	.	S	Bend	trans	-76.9	142.5	178.9	-63.3	176	0	0	0	110.7	Y114 P119 K122 M123 R126 A551 S552	Y114-L554 HydrophobicContact CD1-CD2 3.83Å; Y114-L554 HydrophobicContact CG-CD2 3.94Å; P119-L554 HydrophobicContact CB-CD2 3.74Å; P119-L554 HydrophobicContact CG-CD2 4.32Å; K122-L554 HydrophobicContact CB-CD1 3.5Å; K122-L554 VanDerWaalsContact CB-CD1 3.5Å; K122-L554 HydrophobicContact CD-CD1 3.73Å; K122-L554 HydrophobicContact CG-CD1 4.27Å; M123-L554 HydrophobicContact SD-CB 4.21Å; R126-L554 PolarHBondContact NH2-O 3.14Å; A551-L554 HydrophobicContact CB-CD1 4.34Å; A551-L554 WeakPolarHBondContact O-CB 3.4Å; A551-L554 PolarHBondContact O-N 3.42Å; S552-L554 PolarHBondContact O-N 3.32Å
555	P	97.2	Very high	92.9	Very high	25 Å²	25	70 Å²	70	16%	0.162	39%	0.392	C	S	.	.			trans	-62.6	160.6	166.6	30.2	-33.9	0	0	0	110.4	M123 R126 N155 V159	M123-P555 HydrophobicContact CE-CG 4Å; M123-P555 HydrophobicContact SD-CG 4.05Å; R126-P555 PolarHBondContact NE-O 3.39Å; N155-P555 HydrophobicContact CB-CB 3.76Å; N155-P555 HydrophobicContact CB-CG 3.82Å; V159-P555 HydrophobicContact CG2-CG 3.82Å
556	A	96.1	Very high	93	Very high	37 Å²	37	70.5 Å²	70.5	31%	0.306	40%	0.395	S	S	.	.			trans	-153.7	145.9	171.1	0	0	0	0	0	110.2	R126	R126-A556 HydrophobicContact CB-CB 3.9Å; R126-A556 HydrophobicContact CG-CB 4.26Å
557	L	96.3	Very high	93.1	Very high	5 Å²	5	72.2 Å²	72.2	3%	0.026	41%	0.405	C	S	.	.			trans	-71.5	164	153.7	-65.8	-176.4	0	0	0	110.4	R126 L128 K151 D152 D561 L945	R126-L557 PolarHBondContact O-N 2.78Å; L128-L557 HydrophobicContact CB-CD1 3.94Å; L128-L557 HydrophobicContact CD1-CD1 3.78Å; L128-L557 HydrophobicContact CG-CD1 3.64Å; K151-L557 HydrophobicContact CB-CD2 4.47Å; K151-L557 HydrophobicContact CG-CD2 4.27Å; D152-L557 HydrophobicContact CB-CD1 3.87Å; D152-L557 HydrophobicContact CB-CD2 4.29Å; D152-L557 HydrophobicContact CB-CG 4.25Å; L557-D561 WeakPolarHBondContact CA-OD2 3.39Å; L557-D561 HydrophobicContact CB-CB 4.33Å; L557-D561 HydrophobicContact CD2-CB 4.2Å; L557-L945 HydrophobicContact CB-CD1 4.36Å; L557-L945 HydrophobicContact CB-CD2 4Å; L557-L945 WeakPolarHBondContact O-CD1 3.25Å
558	R	95.6	Very high	93.2	Very high	187 Å²	187	70.7 Å²	70.7	71%	0.706	40%	0.398	S	S	*	.			trans	-109.2	161	170.4	-63.8	179.5	-179.6	-177.6	0	109.4	S560 D561	R558-S560 WeakPolarHBondContact CB-OG 3.47Å; R558-S560 PolarHBondContact O-N 3.29Å; R558-S560 VanDerWaalsContact O-N 3.09Å; R558-D561 PolarHBondContact N-OD2 2.86Å; R558-D561 WeakPolarHBondContact O-CB 3.38Å; R558-D561 PolarHBondContact O-N 3.42Å
559	V	95.1	Very high	93.8	Very high	32 Å²	32	65.7 Å²	65.7	19%	0.194	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-56.4	-28.5	172.5	177.9	0	0	0	0	111.5	D561 I562 D941 K944 F982	V559-D561 PolarHBondContact O-N 2.83Å; V559-I562 HydrophobicContact CB-CD1 4.39Å; V559-I562 HydrophobicContact CG1-CD1 4.11Å; V559-I562 WeakPolarHBondContact O-CB 3.31Å; V559-I562 PolarHBondContact O-N 2.85Å; V559-D941 HydrophobicContact CG2-CB 3.7Å; V559-K944 HydrophobicContact CG1-CD 4.46Å; V559-K944 HydrophobicContact CG2-CB 4.37Å; V559-K944 HydrophobicContact CG2-CD 4.27Å; V559-F982 HydrophobicContact CG1-CD1 3.84Å; V559-F982 HydrophobicContact CG1-CE1 3.87Å
560	S	95.3	Very high	94.2	Very high	96 Å²	96	66.6 Å²	66.6	67%	0.671	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.7	174.6	57.1	0	0	0	0	114.7	R558 I562	R558-S560 WeakPolarHBondContact CB-OG 3.47Å; R558-S560 PolarHBondContact O-N 3.29Å; R558-S560 VanDerWaalsContact O-N 3.09Å; S560-I562 VanDerWaalsContact C-N 3.27Å
561	D	94.7	Very high	94.4	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-83.6	-9.4	178	-57.1	-36.8	0	0	0	111.8	L557 R558 V559	L557-D561 WeakPolarHBondContact CA-OD2 3.39Å; L557-D561 HydrophobicContact CB-CB 4.33Å; L557-D561 HydrophobicContact CD2-CB 4.2Å; R558-D561 PolarHBondContact N-OD2 2.86Å; R558-D561 WeakPolarHBondContact O-CB 3.38Å; R558-D561 PolarHBondContact O-N 3.42Å; V559-D561 PolarHBondContact O-N 2.83Å
562	I	94.3	Very high	94.4	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.021	38%	0.384	C	S	.	.	S	Bend	trans	-78.3	132.5	173.9	-55.9	163	0	0	0	108.4	L128 V559 S560 P564 L945 F948 F982	L128-I562 HydrophobicContact CD1-CG1 4.06Å; L128-I562 HydrophobicContact CD2-CG1 4.2Å; V559-I562 HydrophobicContact CB-CD1 4.39Å; V559-I562 HydrophobicContact CG1-CD1 4.11Å; V559-I562 WeakPolarHBondContact O-CB 3.31Å; V559-I562 PolarHBondContact O-N 2.85Å; S560-I562 VanDerWaalsContact C-N 3.27Å; I562-P564 WeakPolarHBondContact O-CD 3.28Å; I562-L945 HydrophobicContact CD1-CD2 3.95Å; I562-L945 HydrophobicContact CG1-CD2 3.97Å; I562-F948 HydrophobicContact CD1-CB 4.03Å; I562-F948 HydrophobicContact CD1-CD2 3.47Å; I562-F948 VanDerWaalsContact CD1-CD2 3.47Å; I562-F948 HydrophobicContact CD1-CE2 4.1Å; I562-F948 HydrophobicContact CD1-CG 3.84Å; I562-F948 HydrophobicContact CG1-CB 4.34Å; I562-F948 HydrophobicContact CG1-CD2 4.49Å; I562-F948 HydrophobicContact CG1-CG 4.41Å; I562-F948 HydrophobicContact CG2-CB 4.12Å; I562-F948 HydrophobicContact CG2-CD1 3.65Å; I562-F948 HydrophobicContact CG2-CD2 4.22Å; I562-F948 HydrophobicContact CG2-CE1 4.08Å; I562-F948 HydrophobicContact CG2-CG 3.73Å; I562-F982 HydrophobicContact CB-CE1 4.04Å; I562-F982 HydrophobicContact CB-CZ 3.98Å; I562-F982 HydrophobicContact CD1-CE1 4.13Å; I562-F982 HydrophobicContact CG2-CE1 4.05Å; I562-F982 HydrophobicContact CG2-CZ 3.59Å
563	Q	93.1	Very high	94.3	Very high	133 Å²	133	66.2 Å²	66.2	62%	0.621	37%	0.372	S	S	*	.			trans	-60.6	127.1	176.2	-67.5	-61.3	-25.8	0	0	110.6	T565 R978	Q563-T565 PolarHBondContact O-N 3.48Å; Q563-R978 PolarHBondContact O-NE 2.98Å; Q563-R978 PolarHBondContact O-NH2 3.44Å
564	P	94.4	Very high	94.2	Very high	85 Å²	85	66.3 Å²	66.3	55%	0.552	37%	0.373	S	S	*	.	S	Bend	trans	-64.2	-26.1	-179.5	-24.4	34.6	0	0	0	113.4	I562 Q975 R978	I562-P564 WeakPolarHBondContact O-CD 3.28Å; P564-Q975 PolarHBondContact O-NE2 3.13Å; P564-Q975 VanDerWaalsContact O-NE2 3.08Å; P564-R978 WeakPolarHBondContact O-CD 3.41Å; P564-R978 PolarHBondContact O-NE 3.14Å
565	T	95.6	Very high	94	Very high	88 Å²	88	69.9 Å²	69.9	54%	0.54	40%	0.396	S	S	.	.	S	Bend	trans	-129.4	147.5	-175.5	58.1	0	0	0	0	111.7	Q563	Q563-T565 PolarHBondContact O-N 3.48Å
566	I	92.6	Very high	93.8	Very high	30 Å²	30	68.8 Å²	68.8	15%	0.154	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-88.1	150.1	169.7	60.8	175	0	0	0	111.4	F568 D971 K974	I566-F568 HydrophobicContact CG1-CE1 4.48Å; I566-F568 WeakPolarHBondContact O-CD1 3.33Å; I566-F568 PolarHBondContact O-N 2.82Å; I566-D971 HydrophobicContact CD1-CB 4.23Å; I566-K974 HydrophobicContact CD1-CB 3.67Å; I566-K974 HydrophobicContact CD1-CD 4.1Å
567	P	90	Very high	93.4	Very high	105 Å²	105	69.4 Å²	69.4	68%	0.682	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-68.9	125.1	168.5	28.6	-32.5	0	0	0	109.7
568	F	92.1	Very high	93.1	Very high	116 Å²	116	72.4 Å²	72.4	51%	0.509	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-70.6	134.2	179.3	-82	40.1	0	0	0	109.8	I566 A570 D971 E972	I566-F568 HydrophobicContact CG1-CE1 4.48Å; I566-F568 WeakPolarHBondContact O-CD1 3.33Å; I566-F568 PolarHBondContact O-N 2.82Å; F568-A570 PolarHBondContact O-N 3.34Å; F568-D971 HydrophobicContact CD1-CB 4.12Å; F568-D971 HydrophobicContact CD2-CB 4.04Å; F568-D971 HydrophobicContact CE1-CB 4.27Å; F568-D971 HydrophobicContact CE2-CB 4.21Å; F568-D971 HydrophobicContact CG-CB 4Å; F568-D971 HydrophobicContact CZ-CB 4.32Å; F568-E972 HydrophobicContact CE2-CG 4.16Å; F568-E972 WeakPolarHBondContact CE2-OE1 3.48Å; F568-E972 HydrophobicContact CZ-CG 4.47Å
569	T	92.8	Very high	93.1	Very high	28 Å²	28	63.6 Å²	63.6	17%	0.172	38%	0.379	C	S	.	.			trans	-85.3	106.4	178.9	-54.1	0	0	0	0	109	V571 K960 D971	T569-V571 HydrophobicContact CG2-CG1 4.18Å; T569-V571 PolarHBondContact O-N 2.76Å; T569-K960 HydrophobicContact CG2-CB 4.13Å; T569-D971 PolarHBondContact N-OD2 3.47Å
570	A	92.6	Very high	93.1	Very high	85 Å²	85	63 Å²	63	70%	0.702	38%	0.376	S	S	*	.			trans	-62	122.9	171.8	0	0	0	0	0	109.9	F568	F568-A570 PolarHBondContact O-N 3.34Å
571	V	93.4	Very high	93.2	Very high	30 Å²	30	58.6 Å²	58.6	18%	0.182	35%	0.345	C	S	.	.			trans	-132.4	143	171.6	-61.8	0	0	0	0	109	T569 Q582 Y583 C584 R964	T569-V571 HydrophobicContact CG2-CG1 4.18Å; T569-V571 PolarHBondContact O-N 2.76Å; V571-Q582 HydrophobicContact CB-CG 3.83Å; V571-Q582 HydrophobicContact CG1-CG 4.07Å; V571-Q582 HydrophobicContact CG2-CG 4.31Å; V571-Y583 CarbonylContact C-O 3.53Å; V571-Y583 WeakPolarHBondContact CA-O 3.14Å; V571-C584 HydrophobicContact CG1-CB 4.25Å; V571-R964 VanDerWaalsContact CG2-NH1 3.27Å
572	Q	93.8	Very high	93.3	Very high	117 Å²	117	56 Å²	56	55%	0.547	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.7	173.8	-179.1	179.3	-13.4	0	0	109	Y583	Q572-Y583 PolarHBondContact N-O 3.28Å; Q572-Y583 PolarHBondContact O-N 2.9Å
573	L	92.9	Very high	93.5	Very high	65 Å²	65	56.4 Å²	56.4	34%	0.34	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.8	171.9	-62.1	179.2	0	0	0	109.6	V581 Q582 D819	L573-V581 WeakPolarHBondContact CA-O 3.34Å; L573-Q582 HydrophobicContact CD2-CB 3.94Å; L573-Q582 HydrophobicContact CD2-CG 4.02Å; L573-D819 HydrophobicContact CD1-CB 3.65Å
574	S	93.9	Very high	93.7	Very high	55 Å²	55	50.1 Å²	50.1	39%	0.385	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-170.4	176.7	-170	0	0	0	0	109.2	V581	S574-V581 PolarHBondContact N-O 2.9Å; S574-V581 PolarHBondContact O-N 2.76Å
575	T	93.3	Very high	93.8	Very high	81 Å²	81	50.9 Å²	50.9	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147	173.6	61.3	0	0	0	0	111	G577 V579	T575-G577 PolarHBondContact OG1-O 3.28Å; T575-V579 CarbonylContact C-O 3.57Å; T575-V579 VanDerWaalsContact CA-O 3.25Å; T575-V579 WeakPolarHBondContact CA-O 3.42Å
576	A	92.7	Very high	93.6	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.6	163.2	0	0	0	0	0	106.5	H578 V579 V581 L792 E793 I796	A576-H578 PolarHBondContact O-N 3Å; A576-H578 VanDerWaalsContact O-N 3.11Å; A576-V579 PolarHBondContact N-O 3.41Å; A576-V579 PolarHBondContact O-N 2.98Å; A576-V581 HydrophobicContact CB-CG2 3.76Å; A576-L792 HydrophobicContact CB-CD2 4.4Å; A576-L792 HydrophobicContact CB-CG 4.16Å; A576-E793 HydrophobicContact CB-CB 4.48Å; A576-I796 HydrophobicContact CB-CB 4.43Å; A576-I796 HydrophobicContact CB-CG1 3.81Å; A576-I796 WeakPolarHBondContact O-CG2 3.43Å
577	G	88.2	Confident	93.3	Very high	50 Å²	50	51.6 Å²	51.6	52%	0.515	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-113.1	-162.3	0	0	0	0	0	111.6	T575	T575-G577 PolarHBondContact OG1-O 3.28Å
578	H	88.9	Confident	93.3	Very high	68 Å²	68	46.6 Å²	46.6	32%	0.315	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-5.2	177.4	66.2	-74.8	0	0	0	113.5	A576 E772 R803	A576-H578 PolarHBondContact O-N 3Å; A576-H578 VanDerWaalsContact O-N 3.11Å; H578-E772 IonicContact NE2-OE2 3.06Å; H578-R803 PolarHBondContact NE2-NE 3.31Å
579	V	95.1	Very high	93.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.6	-175.4	176.3	0	0	0	0	109.5	T575 A576 P771 M774 I796	T575-V579 CarbonylContact C-O 3.57Å; T575-V579 VanDerWaalsContact CA-O 3.25Å; T575-V579 WeakPolarHBondContact CA-O 3.42Å; A576-V579 PolarHBondContact N-O 3.41Å; A576-V579 PolarHBondContact O-N 2.98Å; V579-P771 HydrophobicContact CG2-CB 4.16Å; V579-M774 HydrophobicContact CG1-CB 4.37Å; V579-M774 HydrophobicContact CG1-CE 4.12Å; V579-M774 HydrophobicContact CG1-CG 4.44Å; V579-M774 HydrophobicContact CG2-CE 4.19Å; V579-I796 HydrophobicContact CB-CD1 4.24Å; V579-I796 HydrophobicContact CG1-CD1 4.33Å; V579-I796 HydrophobicContact CG2-CD1 4.08Å; V579-I796 HydrophobicContact CG2-CG2 4.01Å
580	P	96.1	Very high	92.9	Very high	21 Å²	21	43.1 Å²	43.1	14%	0.136	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	137	175.4	-20.3	33.4	0	0	0	111.7	R775 C776 L818 P826	P580-R775 HydrophobicContact CB-CB 4.45Å; P580-C776 PolarHBondContact O-N 2.81Å; P580-L818 HydrophobicContact CB-CD1 3.77Å; P580-L818 HydrophobicContact CG-CD1 4.08Å; P580-P826 HydrophobicContact CB-CB 3.97Å; P580-P826 HydrophobicContact CB-CG 3.88Å; P580-P826 HydrophobicContact CG-CB 3.31Å; P580-P826 HydrophobicContact CG-CG 3.78Å
581	V	97.1	Very high	93	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.6	179.2	-169.6	0	0	0	0	110.6	L573 S574 A576 Y583 C776 M778 L792	L573-V581 WeakPolarHBondContact CA-O 3.34Å; S574-V581 PolarHBondContact N-O 2.9Å; S574-V581 PolarHBondContact O-N 2.76Å; A576-V581 HydrophobicContact CB-CG2 3.76Å; V581-Y583 HydrophobicContact CB-CD2 4.44Å; V581-Y583 HydrophobicContact CB-CE2 3.78Å; V581-Y583 HydrophobicContact CG1-CD1 4.49Å; V581-Y583 HydrophobicContact CG1-CD2 4.01Å; V581-Y583 HydrophobicContact CG1-CE1 4.02Å; V581-Y583 HydrophobicContact CG1-CE2 3.48Å; V581-Y583 VanDerWaalsContact CG1-CE2 3.48Å; V581-Y583 HydrophobicContact CG1-CG 4.48Å; V581-Y583 VanDerWaalsContact CG1-CZ 3.48Å; V581-C776 WeakPolarHBondContact CA-O 3.42Å; V581-C776 HydrophobicContact CG1-CB 4.27Å; V581-C776 HydrophobicContact CG2-CB 4.28Å; V581-M778 HydrophobicContact CG1-CG 4.4Å; V581-L792 HydrophobicContact CB-CD2 4.27Å; V581-L792 HydrophobicContact CG1-CD2 3.53Å; V581-L792 HydrophobicContact CG2-CD2 3.68Å
582	Q	97.4	Very high	93.2	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.6	169	-174.1	-175.5	-76.4	0	0	110	V571 L573 C776 A777 M778 G961	V571-Q582 HydrophobicContact CB-CG 3.83Å; V571-Q582 HydrophobicContact CG1-CG 4.07Å; V571-Q582 HydrophobicContact CG2-CG 4.31Å; L573-Q582 HydrophobicContact CD2-CB 3.94Å; L573-Q582 HydrophobicContact CD2-CG 4.02Å; Q582-C776 PolarHBondContact N-O 2.9Å; Q582-A777 HydrophobicContact CB-CB 4.19Å; Q582-A777 CarbonylContact O-C 3.58Å; Q582-A777 WeakPolarHBondContact O-CA 3.49Å; Q582-M778 PolarHBondContact O-N 3.22Å; Q582-G961 PolarHBondContact NE2-O 3.29Å
583	Y	97.5	Very high	93.4	Very high	14 Å²	14	32.1 Å²	32.1	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.6	171.6	-63.2	-85.3	0	0	0	110.1	V571 Q572 V581 M778 I785 A789	V571-Y583 CarbonylContact C-O 3.53Å; V571-Y583 WeakPolarHBondContact CA-O 3.14Å; Q572-Y583 PolarHBondContact N-O 3.28Å; Q572-Y583 PolarHBondContact O-N 2.9Å; V581-Y583 HydrophobicContact CB-CD2 4.44Å; V581-Y583 HydrophobicContact CB-CE2 3.78Å; V581-Y583 HydrophobicContact CG1-CD1 4.49Å; V581-Y583 HydrophobicContact CG1-CD2 4.01Å; V581-Y583 HydrophobicContact CG1-CE1 4.02Å; V581-Y583 HydrophobicContact CG1-CE2 3.48Å; V581-Y583 VanDerWaalsContact CG1-CE2 3.48Å; V581-Y583 HydrophobicContact CG1-CG 4.48Å; V581-Y583 VanDerWaalsContact CG1-CZ 3.48Å; Y583-M778 HydrophobicContact CD1-CB 3.7Å; Y583-M778 HydrophobicContact CD1-CG 4.07Å; Y583-M778 HydrophobicContact CE1-CB 3.98Å; Y583-M778 HydrophobicContact CE1-CG 3.81Å; Y583-I785 HydrophobicContact CD1-CD1 4.47Å; Y583-I785 HydrophobicContact CD1-CG2 4.1Å; Y583-A789 HydrophobicContact CE1-CB 3.89Å; Y583-A789 WeakPolarHBondContact OH-CA 3.35Å; Y583-A789 VanDerWaalsContact OH-CB 3.3Å; Y583-A789 WeakPolarHBondContact OH-CB 3.46Å
584	C	97	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	110.4	174.9	-167.8	0	0	0	0	109.5	V571 M778 N779 A780	V571-C584 HydrophobicContact CG1-CB 4.25Å; C584-M778 PolarHBondContact N-O 3.36Å; C584-N779 WeakPolarHBondContact O-CA 3.16Å; C584-A780 PolarHBondContact O-N 3.5Å
585	E	95.8	Very high	93.9	Very high	101 Å²	101	26.8 Å²	26.8	47%	0.472	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.5	177.8	-46.1	-166.9	152.6	0	0	110	A780 P782 I785	E585-A780 CarbonylContact C-O 3.56Å; E585-A780 WeakPolarHBondContact CA-O 3.48Å; E585-P782 HydrophobicContact CB-CG 4.07Å; E585-I785 HydrophobicContact CG-CD1 4.49Å; E585-I785 HydrophobicContact CG-CG1 4.12Å
586	Q	92.3	Very high	94.1	Very high	38 Å²	38	23 Å²	23	18%	0.178	14%	0.137	C	C	.	.			trans	-147.9	151.8	-174.4	-68.5	-61	-45.1	0	0	111.8	T588 A780 A781 P957 K960	Q586-T588 VanDerWaalsContact C-N 3.28Å; Q586-T588 HydrophobicContact CB-CG2 4.07Å; Q586-T588 PolarHBondContact O-N 3.4Å; Q586-A780 PolarHBondContact N-O 3.26Å; Q586-A780 CarbonylContact O-C 3.5Å; Q586-A781 WeakPolarHBondContact O-CA 3.36Å; Q586-A781 PolarHBondContact O-N 3.27Å; Q586-P957 HydrophobicContact CB-CB 3.98Å; Q586-P957 WeakPolarHBondContact CG-O 3.48Å; Q586-K960 HydrophobicContact CG-CB 3.91Å; Q586-K960 HydrophobicContact CG-CG 4.22Å
587	P	86.8	Confident	94.3	Very high	96 Å²	96	22.9 Å²	22.9	62%	0.623	14%	0.137	S	C	*	.			trans	-75.1	77	177.3	32.2	-35.4	0	0	0	111.2	N589 P957	P587-N589 VanDerWaalsContact C-N 3.32Å; P587-N589 PolarHBondContact O-N 2.63Å; P587-P957 HydrophobicContact CG-CG 4.49Å
588	T	89.1	Confident	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.			trans	-83.8	2	-171	55.1	0	0	0	0	115.5	Q586 L591 Y593 A781 P957	Q586-T588 VanDerWaalsContact C-N 3.28Å; Q586-T588 HydrophobicContact CB-CG2 4.07Å; Q586-T588 PolarHBondContact O-N 3.4Å; T588-L591 WeakPolarHBondContact CB-O 3.42Å; T588-L591 PolarHBondContact O-N 3.06Å; T588-L591 PolarHBondContact OG1-O 2.89Å; T588-Y593 HydrophobicContact CG2-CD2 3.98Å; T588-Y593 HydrophobicContact CG2-CE2 3.75Å; T588-A781 PolarHBondContact OG1-N 2.82Å; T588-P957 HydrophobicContact CG2-CB 4.16Å
589	N	87.9	Confident	95	Very high	51 Å²	51	18 Å²	18	27%	0.273	10%	0.103	S	C	.	.	S	Bend	trans	56.6	46.1	-176	-165.3	20	0	0	0	114.1	K434 Q436 P587 L591	K434-N589 PolarHBondContact O-ND2 2.93Å; Q436-N589 HydrophobicContact CG-CB 4.01Å; Q436-N589 PolarHBondContact NE2-ND2 3.49Å; P587-N589 VanDerWaalsContact C-N 3.32Å; P587-N589 PolarHBondContact O-N 2.63Å; N589-L591 VanDerWaalsContact C-N 3.35Å; N589-L591 PolarHBondContact O-N 3.01Å
590	G	89.8	Confident	95.1	Very high	20 Å²	20	18 Å²	18	21%	0.206	10%	0.103	C	C	.	.	S	Bend	trans	74.1	24.2	176.9	0	0	0	0	0	114.5	L669 D670	G590-L669 WeakPolarHBondContact O-CA 3.46Å; G590-D670 WeakPolarHBondContact CA-OD2 3.49Å; G590-D670 PolarHBondContact O-N 3.3Å; G590-D670 VanDerWaalsContact O-N 3.11Å
591	L	94	Very high	95.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147	172.9	-67.6	169.1	0	0	0	111.2	I431 K434 H435 T588 N589 Y593 C668 L669	I431-L591 HydrophobicContact CG1-CD2 4.44Å; I431-L591 HydrophobicContact CG2-CD2 4.35Å; K434-L591 HydrophobicContact CB-CD1 4.08Å; K434-L591 HydrophobicContact CB-CG 4.26Å; H435-L591 VanDerWaalsContact CA-CD1 3.47Å; H435-L591 HydrophobicContact CB-CD1 4.1Å; T588-L591 WeakPolarHBondContact CB-O 3.42Å; T588-L591 PolarHBondContact O-N 3.06Å; T588-L591 PolarHBondContact OG1-O 2.89Å; N589-L591 VanDerWaalsContact C-N 3.35Å; N589-L591 PolarHBondContact O-N 3.01Å; L591-Y593 HydrophobicContact CB-CE2 3.87Å; L591-Y593 VanDerWaalsContact CD1-OH 3.28Å; L591-Y593 WeakPolarHBondContact CD1-OH 3.1Å; L591-C668 CarbonylContact C-O 3.55Å; L591-C668 WeakPolarHBondContact CA-O 3.45Å; L591-C668 WeakPolarHBondContact CD2-O 3.26Å; L591-L669 HydrophobicContact CD2-CD2 3.68Å; L591-L669 HydrophobicContact CD2-CG 4.19Å; L591-L669 HydrophobicContact CG-CD2 4.5Å
592	V	97.4	Very high	95	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.5	172.9	179.5	0	0	0	0	108.7	F667 C668 D670 L673 M778 A780 I784	V592-F667 WeakPolarHBondContact O-CA 3.29Å; V592-F667 WeakPolarHBondContact O-CB 3.34Å; V592-C668 PolarHBondContact N-O 3.05Å; V592-C668 PolarHBondContact O-N 3.04Å; V592-C668 VanDerWaalsContact O-N 3.09Å; V592-D670 WeakPolarHBondContact CG2-OD1 3Å; V592-L673 HydrophobicContact CB-CD1 4.28Å; V592-L673 HydrophobicContact CG1-CD1 3.77Å; V592-M778 HydrophobicContact CG1-CE 3.13Å; V592-A780 HydrophobicContact CB-CB 4.5Å; V592-A780 HydrophobicContact CG1-CB 4.32Å; V592-A780 HydrophobicContact CG2-CB 4.06Å; V592-I784 HydrophobicContact CG2-CG1 4.45Å; V592-I784 HydrophobicContact CG2-CG2 3.95Å
593	Y	97.9	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.1	177.6	-55.5	-94.6	0	0	0	110.1	H435 T588 L591 F665 F667 M778 N779 S958	H435-Y593 AromaticContact CE1-CE1 3.92Å; H435-Y593 AromaticContact ND1-CE1 3.75Å; H435-Y593 AromaticContact ND1-CZ 3.78Å; H435-Y593 PolarHBondContact ND1-OH 3.39Å; T588-Y593 HydrophobicContact CG2-CD2 3.98Å; T588-Y593 HydrophobicContact CG2-CE2 3.75Å; L591-Y593 HydrophobicContact CB-CE2 3.87Å; L591-Y593 VanDerWaalsContact CD1-OH 3.28Å; L591-Y593 WeakPolarHBondContact CD1-OH 3.1Å; Y593-F665 HydrophobicContact CD1-CE2 4.18Å; Y593-F665 HydrophobicContact CD1-CZ 4.07Å; Y593-F667 HydrophobicContact CD1-CB 3.45Å; Y593-F667 VanDerWaalsContact CD1-CB 3.45Å; Y593-F667 HydrophobicContact CD1-CG 4.11Å; Y593-F667 HydrophobicContact CE1-CB 3.77Å; Y593-F667 HydrophobicContact CE1-CD2 4.08Å; Y593-F667 HydrophobicContact CE1-CG 4.02Å; Y593-F667 HydrophobicContact CG-CB 4.16Å; Y593-M778 WeakPolarHBondContact O-CA 3.44Å; Y593-M778 WeakPolarHBondContact O-CE 3.3Å; Y593-N779 HydrophobicContact CD2-CB 4.32Å; Y593-N779 PolarHBondContact N-O 3.48Å; Y593-N779 PolarHBondContact O-N 3.42Å; Y593-S958 VanDerWaalsContact CE1-CB 3.48Å
594	F	98.4	Very high	94.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.4	178.4	168.4	-112.1	0	0	0	110.6	A596 F665 S666 M676 F677 W680 C776 M778 L792 F795	F594-A596 HydrophobicContact CE1-CB 4.25Å; F594-A596 HydrophobicContact CE2-CB 4.34Å; F594-A596 HydrophobicContact CZ-CB 3.71Å; F594-F665 WeakPolarHBondContact O-CA 3.42Å; F594-S666 PolarHBondContact N-O 3.09Å; F594-S666 PolarHBondContact O-N 2.83Å; F594-M676 HydrophobicContact CB-CE 3.82Å; F594-F677 HydrophobicContact CD1-CE1 4.15Å; F594-F677 AromaticContact CD2-CE1 3.83Å; F594-F677 HydrophobicContact CD2-CE1 3.83Å; F594-F677 AromaticContact CD2-CZ 3.95Å; F594-F677 HydrophobicContact CD2-CZ 3.95Å; F594-F677 HydrophobicContact CE1-CE1 4.18Å; F594-F677 AromaticContact CE2-CE1 3.86Å; F594-F677 HydrophobicContact CE2-CE1 3.86Å; F594-F677 HydrophobicContact CE2-CZ 4.32Å; F594-F677 AromaticContact CG-CE1 3.96Å; F594-F677 HydrophobicContact CG-CE1 3.96Å; F594-F677 HydrophobicContact CG-CZ 4.17Å; F594-F677 HydrophobicContact CZ-CE1 4.02Å; F594-W680 AromaticContact CD1-CD1 3.85Å; F594-W680 AromaticContact CD1-NE1 3.5Å; F594-W680 AromaticContact CE1-CD1 3.82Å; F594-W680 HydrophobicContact CE1-CG 4.32Å; F594-W680 AromaticContact CE1-NE1 3.72Å; F594-C776 HydrophobicContact CE2-CB 4.07Å; F594-M778 HydrophobicContact CB-CE 4.27Å; F594-M778 HydrophobicContact CB-SD 3.99Å; F594-M778 HydrophobicContact CD2-SD 3.61Å; F594-M778 HydrophobicContact CG-SD 4.26Å; F594-L792 HydrophobicContact CD2-CD1 4.35Å; F594-L792 HydrophobicContact CE2-CD1 3.7Å; F594-L792 HydrophobicContact CZ-CD1 4.44Å; F594-F795 HydrophobicContact CZ-CE1 4.21Å
595	R	98.4	Very high	94.5	Very high	9 Å²	9	21.9 Å²	21.9	3%	0.034	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.6	170.7	-70.7	173.5	-175.1	84.1	-6.9	110.5	L663 L664 F665 C776 A777 S958 D959 F965	R595-L663 HydrophobicContact CB-CD1 4.1Å; R595-L663 HydrophobicContact CG-CD1 4.32Å; R595-L664 VanDerWaalsContact CA-O 3.24Å; R595-L664 WeakPolarHBondContact CA-O 3.38Å; R595-F665 HydrophobicContact CG-CD2 3.72Å; R595-F665 HydrophobicContact CG-CE2 4.49Å; R595-C776 CarbonylContact O-C 3.5Å; R595-C776 WeakPolarHBondContact O-CA 3.42Å; R595-A777 HydrophobicContact CB-CB 4.34Å; R595-A777 PolarHBondContact N-O 3.07Å; R595-A777 PolarHBondContact O-N 3.33Å; R595-S958 PolarHBondContact NH1-O 2.82Å; R595-S958 PolarHBondContact NH2-O 2.82Å; R595-D959 IonicContact CZ-OD1 2.84Å; R595-D959 IonicContact NH2-OD1 3.71Å; R595-D959 PolarHBondContact NH2-OD1 3.17Å; R595-F965 HydrophobicContact CB-CE1 3.83Å; R595-F965 HydrophobicContact CB-CZ 4.16Å
596	A	98	Very high	94.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.9	165.7	0	0	0	0	0	110.7	F594 L663 L664 M774 R775	F594-A596 HydrophobicContact CE1-CB 4.25Å; F594-A596 HydrophobicContact CE2-CB 4.34Å; F594-A596 HydrophobicContact CZ-CB 3.71Å; A596-L663 WeakPolarHBondContact O-CA 3.47Å; A596-L664 HydrophobicContact CB-CB 4.2Å; A596-L664 HydrophobicContact CB-CD1 4.41Å; A596-L664 PolarHBondContact N-O 2.67Å; A596-L664 WeakPolarHBondContact O-CD1 3.36Å; A596-L664 PolarHBondContact O-N 3.16Å; A596-M774 HydrophobicContact CB-CG 4.11Å; A596-M774 HydrophobicContact CB-SD 3.91Å; A596-R775 CarbonylContact C-O 3.56Å; A596-R775 WeakPolarHBondContact CA-O 3.42Å
597	M	97.4	Very high	94.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.8	173.3	-177.1	70.8	68.6	0	0	109	Q647 I649 V662 L663 M774 R775 F965 R966	M597-Q647 HydrophobicContact CE-CB 4.28Å; M597-Q647 HydrophobicContact CE-CG 3.93Å; M597-Q647 HydrophobicContact SD-CB 4.16Å; M597-Q647 HydrophobicContact SD-CG 4.06Å; M597-I649 HydrophobicContact CE-CD1 3.77Å; M597-V662 WeakPolarHBondContact CA-O 3.46Å; M597-L663 HydrophobicContact CE-CB 4.21Å; M597-L663 HydrophobicContact CE-CD1 4.21Å; M597-L663 HydrophobicContact SD-CB 4.44Å; M597-M774 VanDerWaalsContact O-CA 3.32Å; M597-M774 WeakPolarHBondContact O-CA 3.36Å; M597-R775 HydrophobicContact CB-CG 3.85Å; M597-R775 PolarHBondContact N-O 3.21Å; M597-R775 PolarHBondContact O-N 3.32Å; M597-R775 VanDerWaalsContact O-N 3.08Å; M597-F965 HydrophobicContact CB-CE1 4.41Å; M597-F965 HydrophobicContact CB-CZ 3.97Å; M597-R966 HydrophobicContact CE-CG 4.42Å
598	C	96.6	Very high	95	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.02	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.6	177.3	-63.1	0	0	0	0	110.4	G661 V662 L664 L768	C598-G661 CarbonylContact O-C 3.56Å; C598-G661 WeakPolarHBondContact O-CA 3.41Å; C598-V662 PolarHBondContact N-O 3.27Å; C598-V662 PolarHBondContact O-N 2.99Å; C598-L664 HydrophobicContact CB-CD1 4.43Å; C598-L768 HydrophobicContact CB-CD2 4.4Å; C598-L768 WeakPolarHBondContact CB-O 3.4Å
599	S	95.8	Very high	95.3	Very high	13 Å²	13	18.1 Å²	18.1	9%	0.091	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	141.3	-177.9	-177	0	0	0	0	113.3	N601 N773	S599-N601 PolarHBondContact OG-N 2.74Å; S599-N601 PolarHBondContact OG-ND2 3.39Å; S599-N773 PolarHBondContact N-O 3.43Å
600	L	96.3	Very high	95.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.097	C	C	.	.			trans	-90.5	2.8	174.5	-78.1	168.1	0	0	0	114	T602 L603 V611 Q660 V662 F736 L768	L600-T602 PolarHBondContact O-N 3.14Å; L600-L603 HydrophobicContact CD2-CB 4.1Å; L600-L603 HydrophobicContact CD2-CD2 3.59Å; L600-L603 HydrophobicContact CD2-CG 4.38Å; L600-L603 VanDerWaalsContact O-CB 3.29Å; L600-L603 WeakPolarHBondContact O-CB 3.44Å; L600-L603 PolarHBondContact O-N 3.33Å; L600-V611 HydrophobicContact CD1-CG1 4.34Å; L600-V611 HydrophobicContact CD2-CG1 4.25Å; L600-V611 HydrophobicContact CD2-CG2 4.09Å; L600-Q660 HydrophobicContact CB-CB 4.22Å; L600-Q660 HydrophobicContact CB-CG 3.87Å; L600-Q660 HydrophobicContact CD1-CB 4.37Å; L600-Q660 PolarHBondContact N-O 3.25Å; L600-V662 HydrophobicContact CD1-CG2 4.32Å; L600-V662 HydrophobicContact CD2-CG2 4.49Å; L600-V662 HydrophobicContact CG-CG2 4.44Å; L600-F736 HydrophobicContact CD1-CE2 4.15Å; L600-F736 HydrophobicContact CD1-CZ 3.82Å; L600-L768 HydrophobicContact CD2-CD1 4.16Å; L600-L768 HydrophobicContact CD2-CD2 3.37Å; L600-L768 HydrophobicContact CD2-CG 3.92Å; L600-L768 HydrophobicContact CG-CD2 3.9Å
601	N	95.2	Very high	96.2	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.027	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.3	-169.2	-66.3	-12.2	0	0	0	115.5	S599 L808 I809 K829 I831	S599-N601 PolarHBondContact OG-N 2.74Å; S599-N601 PolarHBondContact OG-ND2 3.39Å; N601-L808 HydrophobicContact CB-CD2 3.68Å; N601-I809 PolarHBondContact O-N 3.05Å; N601-I809 VanDerWaalsContact O-N 3.07Å; N601-K829 PolarHBondContact ND2-O 2.67Å; N601-I831 VanDerWaalsContact OD1-CD1 3.25Å; N601-I831 WeakPolarHBondContact OD1-CD1 3.46Å
602	T	95.3	Very high	96.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.012	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-8.6	175.5	74.1	0	0	0	0	112.5	L600 H767 R806 L808 I809	L600-T602 PolarHBondContact O-N 3.14Å; T602-H767 PolarHBondContact O-CE1 3.03Å; T602-H767 PolarHBondContact O-ND1 3.08Å; T602-H767 PolarHBondContact OG1-ND1 3.39Å; T602-R806 HydrophobicContact CG2-CB 3.9Å; T602-L808 HydrophobicContact CG2-CD2 4.21Å; T602-I809 WeakPolarHBondContact O-CG1 3.41Å
603	L	95.8	Very high	96.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-73.9	127.1	-177	-172.3	76.4	0	0	0	110.2	L600 L607 R608 V611 I764 H767 I809	L600-L603 HydrophobicContact CD2-CB 4.1Å; L600-L603 HydrophobicContact CD2-CD2 3.59Å; L600-L603 HydrophobicContact CD2-CG 4.38Å; L600-L603 VanDerWaalsContact O-CB 3.29Å; L600-L603 WeakPolarHBondContact O-CB 3.44Å; L600-L603 PolarHBondContact O-N 3.33Å; L603-L607 HydrophobicContact CD1-CB 4.01Å; L603-L607 HydrophobicContact CD1-CD1 3.95Å; L603-L607 HydrophobicContact CD2-CB 4.06Å; L603-L607 HydrophobicContact CG-CB 4Å; L603-R608 HydrophobicContact CD2-CG 4.38Å; L603-V611 HydrophobicContact CD2-CG2 3.38Å; L603-I764 HydrophobicContact CD1-CB 4.48Å; L603-I764 HydrophobicContact CD1-CG1 4.28Å; L603-I764 HydrophobicContact CD1-CG2 4.47Å; L603-H767 HydrophobicContact CB-CB 4.37Å; L603-H767 HydrophobicContact CD1-CB 3.85Å; L603-I809 WeakPolarHBondContact O-CG1 3.08Å
604	P	95.6	Very high	96.3	Very high	28 Å²	28	18.2 Å²	18.2	18%	0.182	9%	0.093	C	C	.	.			trans	-52.8	140.6	170.6	-27.6	36.3	0	0	0	112.5	D606 L607	P604-D606 VanDerWaalsContact C-N 3.29Å; P604-D606 WeakPolarHBondContact CB-OD1 3.16Å; P604-D606 PolarHBondContact O-N 2.88Å; P604-L607 HydrophobicContact CB-CD1 4.43Å; P604-L607 HydrophobicContact CB-CG 4.29Å; P604-L607 HydrophobicContact CG-CD1 4.31Å; P604-L607 PolarHBondContact O-N 3.49Å; P604-L607 VanDerWaalsContact O-N 3.09Å
605	E	90	Very high	96.2	Very high	91 Å²	91	18.4 Å²	18.4	43%	0.425	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-66.2	-30.7	-171.8	-54.9	-157.9	140.1	0	0	112.9	L607 R608 I809 R810	E605-L607 PolarHBondContact O-N 3.17Å; E605-L607 VanDerWaalsContact O-N 3.16Å; E605-R608 WeakPolarHBondContact O-CB 3.36Å; E605-R608 PolarHBondContact O-N 2.81Å; E605-R608 VanDerWaalsContact O-N 3.16Å; E605-R608 IonicContact OE1-CZ 3.85Å; E605-R608 IonicContact OE1-NH1 2.91Å; E605-R608 PolarHBondContact OE1-NH1 3.39Å; E605-R608 IonicContact OE1-NH2 3.62Å; E605-R608 PolarHBondContact OE1-NH2 3.43Å; E605-I809 HydrophobicContact CG-CG2 4.04Å; E605-R810 IonicContact OE1-CZ 2.68Å; E605-R810 IonicContact OE1-NE 2.92Å; E605-R810 PolarHBondContact OE1-NE 2.92Å; E605-R810 IonicContact OE1-NH2 2.76Å; E605-R810 PolarHBondContact OE1-NH2 3.42Å; E605-R810 VanDerWaalsContact OE1-NH2 3.17Å
606	D	93.6	Very high	96	Very high	92 Å²	92	19.9 Å²	19.9	49%	0.492	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-59.6	-23.8	174.4	60.3	-56.6	0	0	0	113.1	P604 R763	P604-D606 VanDerWaalsContact C-N 3.29Å; P604-D606 WeakPolarHBondContact CB-OD1 3.16Å; P604-D606 PolarHBondContact O-N 2.88Å; D606-R763 IonicContact OD1-NH2 3.15Å; D606-R763 IonicContact OD2-CZ 2.74Å; D606-R763 IonicContact OD2-NH1 3.47Å; D606-R763 IonicContact OD2-NH2 3.91Å; D606-R763 PolarHBondContact OD2-NH2 2.88Å
607	L	96.6	Very high	95.9	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-90.2	-11.5	-178.4	-59.7	-171.9	0	0	0	113.8	L603 P604 E605 V609 Y610 V760 R763 I764	L603-L607 HydrophobicContact CD1-CB 4.01Å; L603-L607 HydrophobicContact CD1-CD1 3.95Å; L603-L607 HydrophobicContact CD2-CB 4.06Å; L603-L607 HydrophobicContact CG-CB 4Å; P604-L607 HydrophobicContact CB-CD1 4.43Å; P604-L607 HydrophobicContact CB-CG 4.29Å; P604-L607 HydrophobicContact CG-CD1 4.31Å; P604-L607 PolarHBondContact O-N 3.49Å; P604-L607 VanDerWaalsContact O-N 3.09Å; E605-L607 PolarHBondContact O-N 3.17Å; E605-L607 VanDerWaalsContact O-N 3.16Å; L607-V609 VanDerWaalsContact C-N 3.34Å; L607-V609 PolarHBondContact O-N 3.28Å; L607-Y610 PolarHBondContact O-N 2.9Å; L607-Y610 VanDerWaalsContact O-N 3.09Å; L607-V760 HydrophobicContact CD2-CG1 3.68Å; L607-V760 HydrophobicContact CD2-CG2 4.3Å; L607-R763 HydrophobicContact CD1-CB 3.71Å; L607-I764 HydrophobicContact CB-CG1 4.2Å; L607-I764 HydrophobicContact CD1-CG1 4.15Å
608	R	95.5	Very high	95.9	Very high	26 Å²	26	20 Å²	20	10%	0.098	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-58.6	-43.6	-173.5	-73.2	-177.5	-175.6	162.7	8.9	112.6	L603 E605 Y610 V611 F736	L603-R608 HydrophobicContact CD2-CG 4.38Å; E605-R608 WeakPolarHBondContact O-CB 3.36Å; E605-R608 PolarHBondContact O-N 2.81Å; E605-R608 VanDerWaalsContact O-N 3.16Å; E605-R608 IonicContact OE1-CZ 3.85Å; E605-R608 IonicContact OE1-NH1 2.91Å; E605-R608 PolarHBondContact OE1-NH1 3.39Å; E605-R608 IonicContact OE1-NH2 3.62Å; E605-R608 PolarHBondContact OE1-NH2 3.43Å; R608-Y610 PolarHBondContact O-N 2.67Å; R608-Y610 VanDerWaalsContact O-N 3.16Å; R608-V611 WeakPolarHBondContact O-CB 3.21Å; R608-V611 WeakPolarHBondContact O-CG2 3.31Å; R608-V611 PolarHBondContact O-N 3.1Å; R608-F736 HydrophobicContact CB-CE1 4.3Å; R608-F736 WeakPolarHBondContact O-CE1 3.25Å
609	V	96.6	Very high	95.9	Very high	37 Å²	37	20.2 Å²	20.2	22%	0.224	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-62.3	-23.5	-179.4	70.1	0	0	0	0	113.2	L607 T735 Q741 F744	L607-V609 VanDerWaalsContact C-N 3.34Å; L607-V609 PolarHBondContact O-N 3.28Å; V609-T735 HydrophobicContact CB-CG2 4.27Å; V609-T735 HydrophobicContact CG2-CG2 4.44Å; V609-Q741 PolarHBondContact O-OE1 3.3Å; V609-F744 HydrophobicContact CB-CE1 4.47Å; V609-F744 HydrophobicContact CB-CE2 4.4Å; V609-F744 HydrophobicContact CB-CZ 4.26Å; V609-F744 HydrophobicContact CG1-CD2 4.38Å; V609-F744 HydrophobicContact CG1-CE1 4.3Å; V609-F744 HydrophobicContact CG1-CE2 3.73Å; V609-F744 HydrophobicContact CG1-CZ 3.64Å; V609-F744 HydrophobicContact CG2-CB 4.13Å; V609-F744 HydrophobicContact CG2-CD1 3.69Å; V609-F744 HydrophobicContact CG2-CD2 3.65Å; V609-F744 HydrophobicContact CG2-CE1 3.85Å; V609-F744 HydrophobicContact CG2-CE2 3.82Å; V609-F744 HydrophobicContact CG2-CG 3.54Å; V609-F744 HydrophobicContact CG2-CZ 3.88Å; V609-F744 WeakPolarHBondContact O-CE1 3.44Å
610	Y	97.6	Very high	95.9	Very high	52 Å²	52	24.1 Å²	24.1	20%	0.204	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-86.7	-9.1	176.6	-64.9	-91.8	0	0	0	113.3	L607 R608 L613 F614 F744 I748 V757 V760	L607-Y610 PolarHBondContact O-N 2.9Å; L607-Y610 VanDerWaalsContact O-N 3.09Å; R608-Y610 PolarHBondContact O-N 2.67Å; R608-Y610 VanDerWaalsContact O-N 3.16Å; Y610-L613 PolarHBondContact O-N 2.82Å; Y610-F614 WeakPolarHBondContact O-CB 3.44Å; Y610-F614 PolarHBondContact O-N 2.59Å; Y610-F744 HydrophobicContact CD1-CE1 4.17Å; Y610-F744 AromaticContact CD1-CZ 3.59Å; Y610-F744 HydrophobicContact CD1-CZ 3.59Å; Y610-F744 HydrophobicContact CD2-CZ 4.04Å; Y610-F744 HydrophobicContact CE1-CE1 4.41Å; Y610-F744 HydrophobicContact CE1-CE2 4.2Å; Y610-F744 AromaticContact CE1-CZ 3.48Å; Y610-F744 HydrophobicContact CE1-CZ 3.48Å; Y610-F744 VanDerWaalsContact CE1-CZ 3.48Å; Y610-F744 HydrophobicContact CE2-CE2 4.32Å; Y610-F744 AromaticContact CE2-CZ 3.93Å; Y610-F744 HydrophobicContact CE2-CZ 3.93Å; Y610-F744 HydrophobicContact CG-CE1 4.42Å; Y610-F744 AromaticContact CG-CZ 3.86Å; Y610-F744 HydrophobicContact CG-CZ 3.86Å; Y610-F744 AromaticContact CZ-CE2 3.99Å; Y610-F744 AromaticContact CZ-CZ 3.64Å; Y610-I748 HydrophobicContact CD1-CD1 4.22Å; Y610-I748 HydrophobicContact CE1-CD1 3.97Å; Y610-V757 HydrophobicContact CD1-CG1 4.41Å; Y610-V757 HydrophobicContact CE1-CG2 4.37Å; Y610-V760 HydrophobicContact CD1-CG1 4.16Å; Y610-V760 HydrophobicContact CD2-CG1 4.16Å; Y610-V760 HydrophobicContact CG-CG1 3.84Å
611	V	98.1	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-44.4	-176.1	-177.9	0	0	0	0	112.5	L600 L603 R608 L613 F614 C615 T646 V662 F736 L768	L600-V611 HydrophobicContact CD1-CG1 4.34Å; L600-V611 HydrophobicContact CD2-CG1 4.25Å; L600-V611 HydrophobicContact CD2-CG2 4.09Å; L603-V611 HydrophobicContact CD2-CG2 3.38Å; R608-V611 WeakPolarHBondContact O-CB 3.21Å; R608-V611 WeakPolarHBondContact O-CG2 3.31Å; R608-V611 PolarHBondContact O-N 3.1Å; V611-L613 VanDerWaalsContact C-N 3.29Å; V611-L613 PolarHBondContact O-N 3.26Å; V611-F614 WeakPolarHBondContact O-CB 3.41Å; V611-F614 PolarHBondContact O-N 3.45Å; V611-C615 WeakPolarHBondContact O-CB 3.44Å; V611-C615 PolarHBondContact O-N 3.44Å; V611-C615 PolarHBondContact O-SG 3.2Å; V611-T646 HydrophobicContact CB-CG2 4.25Å; V611-T646 HydrophobicContact CG1-CG2 3.65Å; V611-V662 HydrophobicContact CG1-CG2 3.73Å; V611-F736 HydrophobicContact CB-CE1 4.23Å; V611-L768 HydrophobicContact CG1-CD1 4.25Å
612	P	97.4	Very high	95.9	Very high	19 Å²	19	24 Å²	24	12%	0.123	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-41.6	175.9	-21.4	31.5	0	0	0	112.3	C615 S616 T646 F736 Q741	P612-C615 WeakPolarHBondContact O-CB 3.44Å; P612-C615 PolarHBondContact O-N 3.4Å; P612-S616 PolarHBondContact O-N 3.24Å; P612-T646 HydrophobicContact CB-CG2 4.44Å; P612-T646 HydrophobicContact CG-CG2 4.07Å; P612-F736 HydrophobicContact CG-CB 4.15Å; P612-F736 HydrophobicContact CG-CD1 3.82Å; P612-F736 HydrophobicContact CG-CG 4.26Å; P612-F736 WeakPolarHBondContact CG-O 3.43Å; P612-Q741 HydrophobicContact CB-CG 4.38Å; P612-Q741 HydrophobicContact CG-CG 4.35Å
613	L	96.4	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-51.3	173.7	176.7	57.6	0	0	0	110.8	Y610 V611 C615 S616 I617 V699 L745 I748 V757	Y610-L613 PolarHBondContact O-N 2.82Å; V611-L613 VanDerWaalsContact C-N 3.29Å; V611-L613 PolarHBondContact O-N 3.26Å; L613-C615 VanDerWaalsContact C-N 3.29Å; L613-C615 PolarHBondContact O-N 2.81Å; L613-S616 PolarHBondContact O-N 3.13Å; L613-S616 PolarHBondContact O-OG 3.46Å; L613-I617 HydrophobicContact CD1-CG2 3.91Å; L613-I617 WeakPolarHBondContact O-CG1 3.27Å; L613-I617 PolarHBondContact O-N 2.84Å; L613-V699 HydrophobicContact CD1-CG2 3.76Å; L613-V699 HydrophobicContact CD2-CG2 4.18Å; L613-L745 HydrophobicContact CB-CD2 4.07Å; L613-L745 HydrophobicContact CD1-CD2 3.88Å; L613-L745 HydrophobicContact CD2-CD2 4.25Å; L613-L745 HydrophobicContact CG-CD2 4.27Å; L613-I748 HydrophobicContact CD2-CD1 3.9Å; L613-V757 HydrophobicContact CD2-CG1 3.83Å
614	F	97.6	Very high	96	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-52.7	-46.9	176.8	176.4	-87.9	0	0	0	111.9	Y610 V611 S616 I617 I618 F689 L761 I764 K765 L768 L769	Y610-F614 WeakPolarHBondContact O-CB 3.44Å; Y610-F614 PolarHBondContact O-N 2.59Å; V611-F614 WeakPolarHBondContact O-CB 3.41Å; V611-F614 PolarHBondContact O-N 3.45Å; F614-S616 VanDerWaalsContact C-N 3.34Å; F614-S616 PolarHBondContact O-N 3.05Å; F614-I617 WeakPolarHBondContact O-CG1 3.49Å; F614-I617 PolarHBondContact O-N 2.86Å; F614-I618 HydrophobicContact CE1-CB 4.19Å; F614-I618 HydrophobicContact CE1-CD1 4.44Å; F614-I618 HydrophobicContact CE1-CG1 4.09Å; F614-I618 HydrophobicContact CE1-CG2 4.46Å; F614-I618 HydrophobicContact CE2-CD1 3.97Å; F614-I618 HydrophobicContact CE2-CG1 4.47Å; F614-I618 HydrophobicContact CZ-CB 4.28Å; F614-I618 HydrophobicContact CZ-CD1 3.72Å; F614-I618 HydrophobicContact CZ-CG1 3.85Å; F614-I618 WeakPolarHBondContact O-CB 3.3Å; F614-I618 PolarHBondContact O-N 3.4Å; F614-F689 HydrophobicContact CE2-CE1 4.13Å; F614-F689 AromaticContact CE2-CZ 3.78Å; F614-F689 HydrophobicContact CE2-CZ 3.78Å; F614-F689 HydrophobicContact CZ-CZ 4.48Å; F614-L761 HydrophobicContact CB-CD2 4.47Å; F614-L761 HydrophobicContact CD2-CB 4.39Å; F614-L761 HydrophobicContact CD2-CD2 4.15Å; F614-I764 HydrophobicContact CB-CD1 4.06Å; F614-I764 HydrophobicContact CB-CG2 4.18Å; F614-I764 HydrophobicContact CD1-CG2 3.85Å; F614-I764 HydrophobicContact CD2-CB 3.93Å; F614-I764 HydrophobicContact CD2-CD1 4.45Å; F614-I764 HydrophobicContact CD2-CG2 3.71Å; F614-I764 HydrophobicContact CE1-CG2 4.15Å; F614-I764 HydrophobicContact CE2-CB 4.22Å; F614-I764 HydrophobicContact CE2-CG2 4.01Å; F614-I764 HydrophobicContact CG-CB 4.3Å; F614-I764 HydrophobicContact CG-CD1 4.46Å; F614-I764 HydrophobicContact CG-CG2 3.63Å; F614-I764 HydrophobicContact CZ-CG2 4.23Å; F614-K765 HydrophobicContact CE2-CB 4.32Å; F614-K765 HydrophobicContact CZ-CB 4.44Å; F614-L768 HydrophobicContact CD1-CD1 3.93Å; F614-L768 HydrophobicContact CE1-CD1 3.88Å; F614-L769 HydrophobicContact CZ-CD1 4.45Å
615	C	97.4	Very high	96	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.034	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-41.3	177.5	-69.4	0	0	0	0	112.3	V611 P612 L613 I617 V644	V611-C615 WeakPolarHBondContact O-CB 3.44Å; V611-C615 PolarHBondContact O-N 3.44Å; V611-C615 PolarHBondContact O-SG 3.2Å; P612-C615 WeakPolarHBondContact O-CB 3.44Å; P612-C615 PolarHBondContact O-N 3.4Å; L613-C615 VanDerWaalsContact C-N 3.29Å; L613-C615 PolarHBondContact O-N 2.81Å; C615-I617 VanDerWaalsContact C-N 3.29Å; C615-I617 PolarHBondContact O-N 3.03Å; C615-V644 HydrophobicContact CB-CB 4.3Å; C615-V644 HydrophobicContact CB-CG1 3.98Å; C615-V644 WeakPolarHBondContact CB-O 3.42Å
616	S	94.2	Very high	96.3	Very high	40 Å²	40	28.9 Å²	28.9	28%	0.28	16%	0.155	S	C	.	.	H	α-helix	trans	-69.2	-23.3	-178.7	71.6	0	0	0	0	114.3	P612 L613 F614 K620	P612-S616 PolarHBondContact O-N 3.24Å; L613-S616 PolarHBondContact O-N 3.13Å; L613-S616 PolarHBondContact O-OG 3.46Å; F614-S616 VanDerWaalsContact C-N 3.34Å; F614-S616 PolarHBondContact O-N 3.05Å; S616-K620 WeakPolarHBondContact O-CD 3.47Å
617	I	95.3	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-110.3	-23.4	-173	70	178.1	0	0	0	114.6	L613 F614 C615 T619 K620 M621 L695 L698 L761	L613-I617 HydrophobicContact CD1-CG2 3.91Å; L613-I617 WeakPolarHBondContact O-CG1 3.27Å; L613-I617 PolarHBondContact O-N 2.84Å; F614-I617 WeakPolarHBondContact O-CG1 3.49Å; F614-I617 PolarHBondContact O-N 2.86Å; C615-I617 VanDerWaalsContact C-N 3.29Å; C615-I617 PolarHBondContact O-N 3.03Å; I617-T619 PolarHBondContact O-N 2.84Å; I617-K620 WeakPolarHBondContact O-CA 3.22Å; I617-K620 PolarHBondContact O-N 3.38Å; I617-M621 HydrophobicContact CB-CG 4.08Å; I617-M621 HydrophobicContact CG1-CG 4.35Å; I617-M621 VanDerWaalsContact O-CG 3.3Å; I617-M621 WeakPolarHBondContact O-CG 3.36Å; I617-M621 PolarHBondContact O-N 2.7Å; I617-L695 HydrophobicContact CD1-CD1 3.49Å; I617-L695 VanDerWaalsContact CD1-CD1 3.49Å; I617-L698 HydrophobicContact CB-CD1 3.87Å; I617-L698 HydrophobicContact CG2-CB 3.8Å; I617-L698 HydrophobicContact CG2-CD1 3.83Å; I617-L698 HydrophobicContact CG2-CG 4.46Å; I617-L761 HydrophobicContact CD1-CD1 3.58Å; I617-L761 HydrophobicContact CD1-CD2 3.84Å; I617-L761 HydrophobicContact CD1-CG 4.36Å
618	I	96.5	Very high	96.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.6	-169.1	-171.1	59.2	0	0	0	113.9	F614 V644 I683 P687 F689 L769	F614-I618 HydrophobicContact CE1-CB 4.19Å; F614-I618 HydrophobicContact CE1-CD1 4.44Å; F614-I618 HydrophobicContact CE1-CG1 4.09Å; F614-I618 HydrophobicContact CE1-CG2 4.46Å; F614-I618 HydrophobicContact CE2-CD1 3.97Å; F614-I618 HydrophobicContact CE2-CG1 4.47Å; F614-I618 HydrophobicContact CZ-CB 4.28Å; F614-I618 HydrophobicContact CZ-CD1 3.72Å; F614-I618 HydrophobicContact CZ-CG1 3.85Å; F614-I618 WeakPolarHBondContact O-CB 3.3Å; F614-I618 PolarHBondContact O-N 3.4Å; I618-V644 HydrophobicContact CG2-CB 3.94Å; I618-V644 HydrophobicContact CG2-CG1 4.2Å; I618-V644 HydrophobicContact CG2-CG2 3.66Å; I618-I683 HydrophobicContact CG1-CG2 3.95Å; I618-P687 HydrophobicContact CD1-CB 3.69Å; I618-P687 HydrophobicContact CD1-CG 4.21Å; I618-F689 HydrophobicContact CD1-CE1 3.61Å; I618-F689 HydrophobicContact CD1-CZ 3.51Å; I618-L769 HydrophobicContact CD1-CD1 4.37Å; I618-L769 HydrophobicContact CG1-CD1 4.48Å
619	T	96.5	Very high	96.3	Very high	9 Å²	9	32 Å²	32	6%	0.055	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	11.2	176	59.7	0	0	0	0	113.6	I617 Q631 M635 V644 W680 I683	I617-T619 PolarHBondContact O-N 2.84Å; T619-Q631 PolarHBondContact O-OE1 3.01Å; T619-M635 VanDerWaalsContact O-SD 3.33Å; T619-V644 HydrophobicContact CG2-CG2 3.87Å; T619-W680 HydrophobicContact CG2-CH2 4.31Å; T619-W680 HydrophobicContact CG2-CZ3 4.28Å; T619-I683 HydrophobicContact CG2-CD1 4.22Å
620	K	96.3	Very high	96.3	Very high	94 Å²	94	34.6 Å²	34.6	41%	0.409	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	3.9	-171.6	-58.8	-177.3	-175.6	174.7	0	114.5	S616 I617 R694 L698	S616-K620 WeakPolarHBondContact O-CD 3.47Å; I617-K620 WeakPolarHBondContact O-CA 3.22Å; I617-K620 PolarHBondContact O-N 3.38Å; K620-R694 PolarHBondContact O-NE 2.99Å; K620-R694 PolarHBondContact O-NH2 2.8Å; K620-L698 HydrophobicContact CB-CD1 3.76Å; K620-L698 HydrophobicContact CB-CD2 4.14Å; K620-L698 HydrophobicContact CD-CD2 3.87Å
621	M	95.1	Very high	96.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.02	17%	0.165	C	C	.	.	S	Bend	trans	-103.6	-11.4	-173.3	-72.3	-69.3	-65.5	0	0	114.3	I617 H688 S691 R694 L695 L698	I617-M621 HydrophobicContact CB-CG 4.08Å; I617-M621 HydrophobicContact CG1-CG 4.35Å; I617-M621 VanDerWaalsContact O-CG 3.3Å; I617-M621 WeakPolarHBondContact O-CG 3.36Å; I617-M621 PolarHBondContact O-N 2.7Å; M621-H688 WeakPolarHBondContact CB-O 3.29Å; M621-S691 WeakPolarHBondContact CE-O 3.25Å; M621-R694 HydrophobicContact CE-CB 4.39Å; M621-R694 HydrophobicContact CE-CG 4.44Å; M621-R694 HydrophobicContact SD-CB 4.16Å; M621-R694 HydrophobicContact SD-CG 3.65Å; M621-L695 HydrophobicContact CE-CB 4.13Å; M621-L695 HydrophobicContact SD-CB 4.44Å; M621-L698 HydrophobicContact CG-CD1 4.16Å; M621-L698 HydrophobicContact SD-CD1 3.67Å
622	G	96.9	Very high	96.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.			trans	102.5	152.7	-167.3	0	0	0	0	0	112.3	L626 Q631 H688	G622-L626 CarbonylContact C-O 3.58Å; G622-L626 WeakPolarHBondContact CA-O 3.38Å; G622-Q631 VanDerWaalsContact CA-OE1 3.32Å; G622-H688 PolarHBondContact O-N 3.4Å
623	C	96.7	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-156	144.6	176.6	63.4	0	0	0	0	112.7	D625 L626 Q631 D682 I683 S686	C623-D625 PolarHBondContact O-N 2.97Å; C623-L626 PolarHBondContact N-O 3.48Å; C623-L626 WeakPolarHBondContact O-CA 3.22Å; C623-L626 VanDerWaalsContact O-CB 3.31Å; C623-L626 WeakPolarHBondContact O-CB 3.48Å; C623-L626 PolarHBondContact O-N 3.23Å; C623-Q631 PolarHBondContact SG-NE2 3.33Å; C623-Q631 VanDerWaalsContact SG-NE2 3.39Å; C623-D682 HydrophobicContact CB-CB 4.1Å; C623-I683 HydrophobicContact CB-CG1 3.99Å; C623-S686 CarbonylContact C-O 3.59Å; C623-S686 WeakPolarHBondContact CA-O 3.45Å
624	G	95.4	Very high	95.8	Very high	19 Å²	19	35.2 Å²	35.2	20%	0.196	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-126.1	-179.1	0	0	0	0	0	111.2	L626 S686 H688	G624-L626 VanDerWaalsContact C-N 3.32Å; G624-S686 PolarHBondContact N-O 3.01Å; G624-H688 PolarHBondContact O-NE2 3.35Å
625	D	95.7	Very high	95.7	Very high	165 Å²	165	36.3 Å²	36.3	88%	0.882	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.1	174.5	-58.8	-39.4	0	0	0	112.8	C623	C623-D625 PolarHBondContact O-N 2.97Å
626	L	96.8	Very high	95.5	Very high	39 Å²	39	37.8 Å²	37.8	20%	0.204	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-93.1	123.3	-177.7	-51.4	177.2	0	0	0	110.3	G622 C623 G624 Q630 Q631 Q634 L679 H688	G622-L626 CarbonylContact C-O 3.58Å; G622-L626 WeakPolarHBondContact CA-O 3.38Å; C623-L626 PolarHBondContact N-O 3.48Å; C623-L626 WeakPolarHBondContact O-CA 3.22Å; C623-L626 VanDerWaalsContact O-CB 3.31Å; C623-L626 WeakPolarHBondContact O-CB 3.48Å; C623-L626 PolarHBondContact O-N 3.23Å; G624-L626 VanDerWaalsContact C-N 3.32Å; L626-Q630 HydrophobicContact CB-CB 3.98Å; L626-Q630 HydrophobicContact CD2-CB 4.05Å; L626-Q631 HydrophobicContact CB-CB 4.36Å; L626-Q634 HydrophobicContact CD1-CB 4.46Å; L626-Q634 HydrophobicContact CD1-CG 4.1Å; L626-L679 HydrophobicContact CD1-CD2 4.05Å; L626-H688 PolarHBondContact O-CE1 2.96Å
627	D	96.6	Very high	95.4	Very high	66 Å²	66	39.8 Å²	39.8	35%	0.353	20%	0.195	S	C	.	.			trans	-66.9	177.2	164.1	70.5	31	0	0	0	111.4	R629 Q630 Q631	D627-R629 PolarHBondContact O-N 2.85Å; D627-R629 WeakPolarHBondContact OD1-CA 3.49Å; D627-R629 VanDerWaalsContact OD1-CB 3.31Å; D627-R629 WeakPolarHBondContact OD1-CB 3.41Å; D627-R629 PolarHBondContact OD1-N 3.26Å; D627-Q630 VanDerWaalsContact N-OE1 3.07Å; D627-Q630 PolarHBondContact O-N 2.86Å; D627-Q630 WeakPolarHBondContact OD1-CB 3.3Å; D627-Q630 WeakPolarHBondContact OD1-CG 3.11Å; D627-Q630 PolarHBondContact OD1-N 3.48Å; D627-Q631 VanDerWaalsContact O-CB 3.28Å; D627-Q631 WeakPolarHBondContact O-CB 3.45Å; D627-Q631 PolarHBondContact O-N 3Å
628	Y	95.6	Very high	95.3	Very high	42 Å²	42	42.1 Å²	42.1	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-28.8	-177.5	79	-85.4	0	0	0	114.1	P354 D364 A632 R694	P354-Y628 HydrophobicContact CB-CD2 3.91Å; P354-Y628 HydrophobicContact CB-CE2 3.59Å; P354-Y628 HydrophobicContact CG-CD2 4.24Å; P354-Y628 HydrophobicContact CG-CE2 4.4Å; D364-Y628 PolarHBondContact OD1-OH 3.41Å; D364-Y628 PolarHBondContact OD2-OH 3.38Å; Y628-A632 WeakPolarHBondContact O-CB 3.41Å; Y628-A632 PolarHBondContact O-N 2.9Å; Y628-A632 VanDerWaalsContact O-N 3.15Å; Y628-R694 HydrophobicContact CG-CG 4.25Å
629	R	94.3	Very high	95.3	Very high	77 Å²	77	42.2 Å²	42.2	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-76.8	-47.1	179.9	-78.6	-174.2	-172.2	-169	0.6	110.3	P354 N355 D364 D627 A632 Q633	P354-R629 HydrophobicContact CB-CG 4.35Å; N355-R629 PolarHBondContact ND2-O 2.9Å; N355-R629 WeakPolarHBondContact OD1-CA 3.45Å; N355-R629 WeakPolarHBondContact OD1-CB 3.45Å; N355-R629 WeakPolarHBondContact OD1-CG 3.33Å; N355-R629 PolarHBondContact OD1-O 2.83Å; D364-R629 IonicContact OD2-CZ 3.03Å; D364-R629 IonicContact OD2-NE 2.65Å; D364-R629 IonicContact OD2-NH2 3.64Å; D364-R629 PolarHBondContact OD2-NH2 2.82Å; D627-R629 PolarHBondContact O-N 2.85Å; D627-R629 WeakPolarHBondContact OD1-CA 3.49Å; D627-R629 VanDerWaalsContact OD1-CB 3.31Å; D627-R629 WeakPolarHBondContact OD1-CB 3.41Å; D627-R629 PolarHBondContact OD1-N 3.26Å; R629-A632 PolarHBondContact O-N 3.12Å; R629-Q633 WeakPolarHBondContact O-CB 3.48Å; R629-Q633 PolarHBondContact O-N 2.71Å
630	Q	95.8	Very high	95.1	Very high	92 Å²	92	43.2 Å²	43.2	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-40.8	175.7	-66.5	172.5	-28.6	0	0	111.6	L626 D627 Q633 Q634	L626-Q630 HydrophobicContact CB-CB 3.98Å; L626-Q630 HydrophobicContact CD2-CB 4.05Å; D627-Q630 VanDerWaalsContact N-OE1 3.07Å; D627-Q630 PolarHBondContact O-N 2.86Å; D627-Q630 WeakPolarHBondContact OD1-CB 3.3Å; D627-Q630 WeakPolarHBondContact OD1-CG 3.11Å; D627-Q630 PolarHBondContact OD1-N 3.48Å; Q630-Q633 WeakPolarHBondContact O-CB 3.32Å; Q630-Q633 PolarHBondContact O-N 3.04Å; Q630-Q634 WeakPolarHBondContact O-CG 3.39Å; Q630-Q634 PolarHBondContact O-N 3.44Å
631	Q	96.6	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-51.6	173.7	-178.2	-174.2	35.1	0	0	110.7	T619 G622 C623 L626 D627 Q633 Q634 M635	T619-Q631 PolarHBondContact O-OE1 3.01Å; G622-Q631 VanDerWaalsContact CA-OE1 3.32Å; C623-Q631 PolarHBondContact SG-NE2 3.33Å; C623-Q631 VanDerWaalsContact SG-NE2 3.39Å; L626-Q631 HydrophobicContact CB-CB 4.36Å; D627-Q631 VanDerWaalsContact O-CB 3.28Å; D627-Q631 WeakPolarHBondContact O-CB 3.45Å; D627-Q631 PolarHBondContact O-N 3Å; Q631-Q633 VanDerWaalsContact C-N 3.29Å; Q631-Q633 PolarHBondContact O-N 3.38Å; Q631-Q634 PolarHBondContact O-N 3.17Å; Q631-M635 HydrophobicContact CG-CG 4.47Å; Q631-M635 HydrophobicContact CG-SD 3.97Å; Q631-M635 WeakPolarHBondContact O-CB 3.43Å; Q631-M635 VanDerWaalsContact O-CG 3.31Å; Q631-M635 WeakPolarHBondContact O-CG 3.47Å; Q631-M635 PolarHBondContact O-N 3.22Å
632	A	94.8	Very high	94.9	Very high	24 Å²	24	40.4 Å²	40.4	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-41.4	178.6	0	0	0	0	0	111.9	P354 Y628 R629 M635 E636	P354-A632 HydrophobicContact CG-CB 3.44Å; P354-A632 VanDerWaalsContact CG-CB 3.44Å; Y628-A632 WeakPolarHBondContact O-CB 3.41Å; Y628-A632 PolarHBondContact O-N 2.9Å; Y628-A632 VanDerWaalsContact O-N 3.15Å; R629-A632 PolarHBondContact O-N 3.12Å; A632-M635 PolarHBondContact O-N 2.83Å; A632-E636 PolarHBondContact O-N 2.9Å
633	Q	92.9	Very high	94.9	Very high	12 Å²	12	43 Å²	43	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-49.7	176.1	-171.3	61.1	27.2	0	0	111.9	N355 E420 S424 R629 Q630 Q631 M635 E636 R637	N355-Q633 WeakPolarHBondContact ND2-CB 3.43Å; N355-Q633 PolarHBondContact ND2-OE1 3.05Å; E420-Q633 PolarHBondContact O-NE2 3.33Å; S424-Q633 PolarHBondContact OG-NE2 2.97Å; R629-Q633 WeakPolarHBondContact O-CB 3.48Å; R629-Q633 PolarHBondContact O-N 2.71Å; Q630-Q633 WeakPolarHBondContact O-CB 3.32Å; Q630-Q633 PolarHBondContact O-N 3.04Å; Q631-Q633 VanDerWaalsContact C-N 3.29Å; Q631-Q633 PolarHBondContact O-N 3.38Å; Q633-M635 VanDerWaalsContact C-N 3.32Å; Q633-M635 PolarHBondContact O-N 3.18Å; Q633-E636 PolarHBondContact O-N 2.86Å; Q633-R637 VanDerWaalsContact O-CB 3.29Å; Q633-R637 WeakPolarHBondContact O-CB 3.35Å; Q633-R637 PolarHBondContact O-N 2.86Å
634	Q	95.3	Very high	95	Very high	47 Å²	47	44 Å²	44	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-36.9	179.9	-69.8	-54.5	-43.2	0	0	111.7	L626 Q630 Q631 R637 R638 L679	L626-Q634 HydrophobicContact CD1-CB 4.46Å; L626-Q634 HydrophobicContact CD1-CG 4.1Å; Q630-Q634 WeakPolarHBondContact O-CG 3.39Å; Q630-Q634 PolarHBondContact O-N 3.44Å; Q631-Q634 PolarHBondContact O-N 3.17Å; Q634-R637 PolarHBondContact O-N 3.33Å; Q634-R638 VanDerWaalsContact O-CB 3.23Å; Q634-R638 WeakPolarHBondContact O-CB 3.37Å; Q634-R638 VanDerWaalsContact O-CG 3.24Å; Q634-R638 WeakPolarHBondContact O-CG 3.35Å; Q634-R638 PolarHBondContact O-N 2.83Å; Q634-L679 HydrophobicContact CB-CD1 4.36Å; Q634-L679 HydrophobicContact CB-CD2 3.97Å
635	M	94.9	Very high	95.1	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-47.3	175.7	-75.6	178.3	52	0	0	111.8	T619 Q631 A632 Q633 T639 M642 L679	T619-M635 VanDerWaalsContact O-SD 3.33Å; Q631-M635 HydrophobicContact CG-CG 4.47Å; Q631-M635 HydrophobicContact CG-SD 3.97Å; Q631-M635 WeakPolarHBondContact O-CB 3.43Å; Q631-M635 VanDerWaalsContact O-CG 3.31Å; Q631-M635 WeakPolarHBondContact O-CG 3.47Å; Q631-M635 PolarHBondContact O-N 3.22Å; A632-M635 PolarHBondContact O-N 2.83Å; Q633-M635 VanDerWaalsContact C-N 3.32Å; Q633-M635 PolarHBondContact O-N 3.18Å; M635-T639 WeakPolarHBondContact O-CA 3.46Å; M635-T639 WeakPolarHBondContact O-CB 3.45Å; M635-T639 PolarHBondContact O-N 3.44Å; M635-T639 PolarHBondContact O-OG1 3.42Å; M635-M642 HydrophobicContact CE-CB 3.79Å; M635-M642 HydrophobicContact CE-CG 4.18Å; M635-M642 HydrophobicContact CE-SD 4.35Å; M635-M642 HydrophobicContact CG-SD 3.8Å; M635-M642 HydrophobicContact SD-SD 4.29Å; M635-L679 HydrophobicContact CG-CD1 4.09Å
636	E	93.1	Very high	95.2	Very high	36 Å²	36	39 Å²	39	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-68.1	-36.3	178.9	-170.1	165.5	-144.6	0	0	112.3	H427 K428 A632 Q633	H427-E636 PolarHBondContact ND1-O 3.12Å; K428-E636 HydrophobicContact CD-CG 4.32Å; K428-E636 WeakPolarHBondContact CD-OE1 3.28Å; K428-E636 IonicContact NZ-OE1 3.14Å; K428-E636 PolarHBondContact NZ-OE1 3.37Å; A632-E636 PolarHBondContact O-N 2.9Å; Q633-E636 PolarHBondContact O-N 2.86Å
637	R	91.6	Very high	95.2	Very high	82 Å²	82	38.1 Å²	38.1	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-73.1	-30.2	179.9	-166.4	174.7	172.4	-170.7	0.4	114.4	E420 S424 H427 Q633 Q634	E420-R637 IonicContact OE1-CZ 2.8Å; E420-R637 IonicContact OE1-NE 3.93Å; E420-R637 IonicContact OE1-NH1 3.5Å; E420-R637 PolarHBondContact OE1-NH1 3.03Å; S424-R637 VanDerWaalsContact OG-CB 3.27Å; S424-R637 WeakPolarHBondContact OG-CB 3.31Å; H427-R637 VanDerWaalsContact CE1-C 3.49Å; H427-R637 PolarHBondContact CE1-O 3.28Å; H427-R637 PolarHBondContact ND1-O 2.69Å; H427-R637 VanDerWaalsContact ND1-O 3.09Å; Q633-R637 VanDerWaalsContact O-CB 3.29Å; Q633-R637 WeakPolarHBondContact O-CB 3.35Å; Q633-R637 PolarHBondContact O-N 2.86Å; Q634-R637 PolarHBondContact O-N 3.33Å
638	R	95	Very high	95.2	Very high	50 Å²	50	35.9 Å²	35.9	19%	0.189	19%	0.193	C	C	.	.	H	α-helix	trans	-114.3	-21.2	-168.7	-56	-59.3	-177.6	170.5	1.5	113.4	Q634 C668 N672 H675	Q634-R638 VanDerWaalsContact O-CB 3.23Å; Q634-R638 WeakPolarHBondContact O-CB 3.37Å; Q634-R638 VanDerWaalsContact O-CG 3.24Å; Q634-R638 WeakPolarHBondContact O-CG 3.35Å; Q634-R638 PolarHBondContact O-N 2.83Å; R638-C668 WeakPolarHBondContact O-CB 3.22Å; R638-N672 WeakPolarHBondContact O-CB 3.46Å; R638-N672 PolarHBondContact O-ND2 3.21Å; R638-H675 HydrophobicContact CB-CB 3.95Å; R638-H675 HydrophobicContact CG-CB 3.89Å
639	T	95.8	Very high	95.2	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.025	19%	0.188	C	C	.	.			trans	-130.1	164.6	-174.2	80.1	0	0	0	0	110.8	M635 G641 M642 F667 M676 L679	M635-T639 WeakPolarHBondContact O-CA 3.46Å; M635-T639 WeakPolarHBondContact O-CB 3.45Å; M635-T639 PolarHBondContact O-N 3.44Å; M635-T639 PolarHBondContact O-OG1 3.42Å; T639-G641 VanDerWaalsContact C-N 3.27Å; T639-G641 PolarHBondContact OG1-N 3.43Å; T639-G641 VanDerWaalsContact OG1-N 3.16Å; T639-M642 HydrophobicContact CG2-CG 4.09Å; T639-M642 HydrophobicContact CG2-SD 4.02Å; T639-F667 WeakPolarHBondContact CA-O 3.33Å; T639-F667 WeakPolarHBondContact CB-O 3.32Å; T639-M676 HydrophobicContact CG2-CB 4.06Å; T639-M676 HydrophobicContact CG2-CG 3.95Å; T639-L679 HydrophobicContact CG2-CD1 4.18Å
640	G	91.3	Very high	95.3	Very high	29 Å²	29	32.4 Å²	32.4	30%	0.299	19%	0.185	S	C	.	.	S	Bend	trans	-86.1	-1	166.8	0	0	0	0	0	113.4	F667	G640-F667 VanDerWaalsContact C-CE1 3.45Å; G640-F667 VanDerWaalsContact C-CZ 3.46Å; G640-F667 PolarHBondContact N-O 2.87Å; G640-F667 VanDerWaalsContact O-CE1 3.28Å; G640-F667 WeakPolarHBondContact O-CE1 3.21Å; G640-F667 WeakPolarHBondContact O-CZ 3.38Å
641	G	92.1	Very high	95.3	Very high	28 Å²	28	28.2 Å²	28.2	29%	0.289	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	145.8	-173.9	0	0	0	0	0	111.6	T639 S666 F667	T639-G641 VanDerWaalsContact C-N 3.27Å; T639-G641 PolarHBondContact OG1-N 3.43Å; T639-G641 VanDerWaalsContact OG1-N 3.16Å; G641-S666 VanDerWaalsContact O-CA 3.29Å; G641-S666 WeakPolarHBondContact O-CA 3.5Å; G641-S666 WeakPolarHBondContact O-CB 3.35Å; G641-F667 PolarHBondContact O-N 3.08Å
642	M	96.8	Very high	95.1	Very high	12 Å²	12	29 Å²	29	6%	0.059	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.8	170.8	-52.6	172.4	70.2	0	0	107.9	M635 T639 F665 L679 W680 I683	M635-M642 HydrophobicContact CE-CB 3.79Å; M635-M642 HydrophobicContact CE-CG 4.18Å; M635-M642 HydrophobicContact CE-SD 4.35Å; M635-M642 HydrophobicContact CG-SD 3.8Å; M635-M642 HydrophobicContact SD-SD 4.29Å; T639-M642 HydrophobicContact CG2-CG 4.09Å; T639-M642 HydrophobicContact CG2-SD 4.02Å; M642-F665 CarbonylContact C-O 3.44Å; M642-F665 WeakPolarHBondContact CA-O 3.49Å; M642-L679 HydrophobicContact CE-CB 3.87Å; M642-L679 HydrophobicContact SD-CB 3.94Å; M642-L679 HydrophobicContact SD-CD1 3.96Å; M642-W680 HydrophobicContact CB-CH2 4.28Å; M642-W680 HydrophobicContact CB-CZ2 3.98Å; M642-W680 HydrophobicContact CE-CB 4.44Å; M642-W680 HydrophobicContact CE-CD2 3.29Å; M642-W680 HydrophobicContact CE-CE3 3.85Å; M642-W680 HydrophobicContact CE-CG 3.55Å; M642-W680 HydrophobicContact CE-CH2 4.24Å; M642-W680 HydrophobicContact CE-CZ2 3.76Å; M642-W680 HydrophobicContact CE-CZ3 4.28Å; M642-W680 HydrophobicContact CG-CZ2 4.49Å; M642-I683 HydrophobicContact CE-CD1 3.87Å
643	S	96.4	Very high	95.1	Very high	55 Å²	55	31 Å²	31	39%	0.385	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.9	-176.8	66.9	0	0	0	0	111.7	L664 F665	S643-L664 WeakPolarHBondContact O-CA 3.46Å; S643-F665 PolarHBondContact N-O 2.66Å; S643-F665 PolarHBondContact O-N 3.23Å
644	V	97.9	Very high	95.2	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.121	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.8	179.6	-175.3	0	0	0	0	106.9	C615 I618 T619 V662 L663 L664 W680	C615-V644 HydrophobicContact CB-CB 4.3Å; C615-V644 HydrophobicContact CB-CG1 3.98Å; C615-V644 WeakPolarHBondContact CB-O 3.42Å; I618-V644 HydrophobicContact CG2-CB 3.94Å; I618-V644 HydrophobicContact CG2-CG1 4.2Å; I618-V644 HydrophobicContact CG2-CG2 3.66Å; T619-V644 HydrophobicContact CG2-CG2 3.87Å; V644-V662 HydrophobicContact CG1-CG1 3.13Å; V644-L663 CarbonylContact C-O 3.6Å; V644-L663 WeakPolarHBondContact CA-O 3.5Å; V644-L664 HydrophobicContact CG2-CG 4.32Å; V644-W680 HydrophobicContact CG2-CH2 3.85Å; V644-W680 HydrophobicContact CG2-CZ3 4.07Å
645	S	97.3	Very high	95.2	Very high	43 Å²	43	33.4 Å²	33.4	30%	0.301	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.9	-174.9	60.8	0	0	0	0	111.9	Q647 V662 L663	S645-Q647 PolarHBondContact OG-NE2 3.47Å; S645-V662 CarbonylContact O-C 3.56Å; S645-V662 VanDerWaalsContact O-CA 3.28Å; S645-V662 WeakPolarHBondContact O-CA 3.41Å; S645-L663 PolarHBondContact N-O 2.9Å; S645-L663 PolarHBondContact O-N 3.21Å; S645-L663 PolarHBondContact OG-O 2.85Å
646	T	97.7	Very high	95.2	Very high	36 Å²	36	33.7 Å²	33.7	22%	0.221	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.3	172.9	46.7	0	0	0	0	111.4	V611 P612 F736	V611-T646 HydrophobicContact CB-CG2 4.25Å; V611-T646 HydrophobicContact CG1-CG2 3.65Å; P612-T646 HydrophobicContact CB-CG2 4.44Å; P612-T646 HydrophobicContact CG-CG2 4.07Å; T646-F736 HydrophobicContact CG2-CD1 4.29Å; T646-F736 HydrophobicContact CG2-CD2 3.98Å; T646-F736 HydrophobicContact CG2-CE1 4.45Å; T646-F736 HydrophobicContact CG2-CE2 4.15Å; T646-F736 HydrophobicContact CG2-CG 4.05Å; T646-F736 HydrophobicContact CG2-CZ 4.39Å
647	Q	96.6	Very high	95.4	Very high	20 Å²	20	32 Å²	32	9%	0.093	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.9	179.7	-61.4	-68.1	-43.5	0	0	110	M597 S645 I649 Q660 G661 L663	M597-Q647 HydrophobicContact CE-CB 4.28Å; M597-Q647 HydrophobicContact CE-CG 3.93Å; M597-Q647 HydrophobicContact SD-CB 4.16Å; M597-Q647 HydrophobicContact SD-CG 4.06Å; S645-Q647 PolarHBondContact OG-NE2 3.47Å; Q647-I649 HydrophobicContact CB-CD1 4.16Å; Q647-I649 HydrophobicContact CB-CG1 4.35Å; Q647-Q660 WeakPolarHBondContact O-CA 3.4Å; Q647-G661 PolarHBondContact N-O 2.76Å; Q647-G661 PolarHBondContact O-N 2.94Å; Q647-L663 HydrophobicContact CG-CB 3.58Å
648	V	96.8	Very high	95.7	Very high	20 Å²	20	28.2 Å²	28.2	12%	0.121	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.3	165.2	-170	0	0	0	0	106.8	P650 F658 A729 L732 F736	V648-P650 WeakPolarHBondContact O-CD 3.5Å; V648-F658 HydrophobicContact CG1-CD2 4.05Å; V648-A729 HydrophobicContact CG1-CB 3.78Å; V648-L732 HydrophobicContact CG1-CB 4.45Å; V648-L732 HydrophobicContact CG1-CD2 4.36Å; V648-L732 HydrophobicContact CG2-CB 4.17Å; V648-L732 HydrophobicContact CG2-CD2 3.83Å; V648-L732 HydrophobicContact CG2-CG 3.79Å; V648-F736 HydrophobicContact CG2-CD2 3.59Å; V648-F736 HydrophobicContact CG2-CE2 3.9Å
649	I	96.6	Very high	95.7	Very high	10 Å²	10	26 Å²	26	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	100.6	-172.3	-60.3	157.1	0	0	0	107.6	M597 Q647 F658 E659	M597-I649 HydrophobicContact CE-CD1 3.77Å; Q647-I649 HydrophobicContact CB-CD1 4.16Å; Q647-I649 HydrophobicContact CB-CG1 4.35Å; I649-F658 CarbonylContact O-C 3.46Å; I649-F658 WeakPolarHBondContact O-CA 3.18Å; I649-E659 HydrophobicContact CB-CB 4.22Å; I649-E659 PolarHBondContact N-O 3.3Å; I649-E659 PolarHBondContact O-N 2.92Å
650	P	95.9	Very high	95.7	Very high	36 Å²	36	25.9 Å²	25.9	23%	0.234	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	147.2	174.7	-22	32	0	0	0	111.5	V648 A729	V648-P650 WeakPolarHBondContact O-CD 3.5Å; P650-A729 HydrophobicContact CG-CB 4.38Å
651	D	95.4	Very high	96	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	15%	0.15	C	C	.	.			trans	-72.1	140.9	172	-174.4	65.6	0	0	0	111.3	T653 Q654 T657 K816 L830	D651-T653 PolarHBondContact O-N 2.86Å; D651-T653 WeakPolarHBondContact OD2-CA 3.43Å; D651-T653 WeakPolarHBondContact OD2-CB 3.43Å; D651-T653 PolarHBondContact OD2-N 2.8Å; D651-T653 PolarHBondContact OD2-OG1 3.43Å; D651-Q654 PolarHBondContact OD2-N 2.86Å; D651-T657 HydrophobicContact CB-CG2 3.88Å; D651-T657 WeakPolarHBondContact CB-O 3.11Å; D651-T657 PolarHBondContact N-O 3.12Å; D651-K816 WeakPolarHBondContact OD1-CD 3.39Å; D651-K816 VanDerWaalsContact OD1-CE 3.24Å; D651-K816 WeakPolarHBondContact OD1-CE 3.43Å; D651-K816 IonicContact OD1-NZ 2.7Å; D651-K816 PolarHBondContact OD1-NZ 3.15Å; D651-K816 IonicContact OD2-NZ 3.47Å; D651-K816 PolarHBondContact OD2-NZ 3.46Å; D651-L830 HydrophobicContact CB-CD2 3.9Å; D651-L830 WeakPolarHBondContact OD1-CD2 3.12Å
652	C	93.5	Very high	96.2	Very high	16 Å²	16	23.4 Å²	23.4	11%	0.108	14%	0.137	C	C	.	.	S	Bend	trans	-71.9	-14.5	-179.1	54.5	0	0	0	0	113.9	F863 C864 V969 M973	C652-F863 HydrophobicContact CB-CB 4.16Å; C652-F863 HydrophobicContact CB-CD1 4.12Å; C652-F863 PolarHBondContact O-N 3.24Å; C652-C864 VanDerWaalsContact O-CB 3.3Å; C652-C864 WeakPolarHBondContact O-CB 3.39Å; C652-C864 PolarHBondContact O-N 3.35Å; C652-C864 PolarHBondContact O-SG 3.39Å; C652-V969 HydrophobicContact CB-CG2 4.38Å; C652-M973 HydrophobicContact CB-CE 3.91Å; C652-M973 WeakPolarHBondContact SG-CE 3.42Å
653	T	93.8	Very high	96.3	Very high	68 Å²	68	23.5 Å²	23.5	42%	0.417	14%	0.138	S	C	.	.	S	Bend	trans	-118.1	-17.8	-175.3	59.2	0	0	0	0	114.3	D651 K816 P862 C864	D651-T653 PolarHBondContact O-N 2.86Å; D651-T653 WeakPolarHBondContact OD2-CA 3.43Å; D651-T653 WeakPolarHBondContact OD2-CB 3.43Å; D651-T653 PolarHBondContact OD2-N 2.8Å; D651-T653 PolarHBondContact OD2-OG1 3.43Å; T653-K816 PolarHBondContact OG1-NZ 3.02Å; T653-P862 VanDerWaalsContact C-CG 3.42Å; T653-P862 VanDerWaalsContact O-CG 3.32Å; T653-P862 WeakPolarHBondContact O-CG 3.49Å; T653-C864 HydrophobicContact CG2-CB 3.91Å
654	Q	94.8	Very high	96.4	Very high	87 Å²	87	21 Å²	21	41%	0.407	12%	0.12	S	C	.	.			trans	-138.9	130.3	-175	-64.3	-178.7	-7.9	0	0	111.4	D651 D656 T657	D651-Q654 PolarHBondContact OD2-N 2.86Å; Q654-D656 PolarHBondContact O-N 2.97Å; Q654-T657 PolarHBondContact OE1-OG1 3.48Å
655	M	95.4	Very high	96.4	Very high	22 Å²	22	22.3 Å²	22.3	11%	0.108	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-34.2	-176.5	-67.9	-65.6	-72.1	0	0	114.2	T657 T727 R859 V861 P862 S903 G904	M655-T657 VanDerWaalsContact C-N 3.33Å; M655-T727 HydrophobicContact CE-CG2 3.92Å; M655-R859 VanDerWaalsContact CB-NH2 3.32Å; M655-R859 HydrophobicContact CE-CG 3.81Å; M655-V861 VanDerWaalsContact SD-C 3.56Å; M655-P862 HydrophobicContact CG-CG 4.44Å; M655-P862 HydrophobicContact SD-CB 4.03Å; M655-P862 HydrophobicContact SD-CG 4.43Å; M655-S903 VanDerWaalsContact CE-O 3.28Å; M655-S903 WeakPolarHBondContact CE-O 3.37Å; M655-G904 WeakPolarHBondContact CE-O 3.43Å
656	D	96.6	Very high	96.4	Very high	31 Å²	31	20.3 Å²	20.3	17%	0.166	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	19.5	-175	-54	-46.1	0	0	0	112.9	Q654 P728 T832 E833 F836 R859	Q654-D656 PolarHBondContact O-N 2.97Å; D656-P728 HydrophobicContact CB-CG 4.11Å; D656-P728 WeakPolarHBondContact OD1-CD 3.37Å; D656-T832 WeakPolarHBondContact O-CA 3.4Å; D656-E833 WeakPolarHBondContact CB-O 3.11Å; D656-E833 PolarHBondContact O-N 2.9Å; D656-F836 HydrophobicContact CB-CB 4.49Å; D656-R859 IonicContact OD1-CZ 3.56Å; D656-R859 VanDerWaalsContact OD1-CZ 3.26Å; D656-R859 IonicContact OD1-NH1 2.67Å; D656-R859 PolarHBondContact OD1-NH1 3.16Å; D656-R859 IonicContact OD1-NH2 2.86Å; D656-R859 PolarHBondContact OD1-NH2 2.94Å; D656-R859 IonicContact OD2-CZ 3.79Å; D656-R859 IonicContact OD2-NH1 3.98Å; D656-R859 IonicContact OD2-NH2 3.8Å; D656-R859 PolarHBondContact OD2-NH2 3.36Å
657	T	96.7	Very high	96.4	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133	179	-60.8	0	0	0	0	109	D651 Q654 M655 I814 L830 I831 T832	D651-T657 HydrophobicContact CB-CG2 3.88Å; D651-T657 WeakPolarHBondContact CB-O 3.11Å; D651-T657 PolarHBondContact N-O 3.12Å; Q654-T657 PolarHBondContact OE1-OG1 3.48Å; M655-T657 VanDerWaalsContact C-N 3.33Å; T657-I814 HydrophobicContact CG2-CD1 4.2Å; T657-L830 HydrophobicContact CG2-CB 3.77Å; T657-L830 HydrophobicContact CG2-CD2 3.87Å; T657-L830 HydrophobicContact CG2-CG 4.47Å; T657-I831 CarbonylContact C-O 3.54Å; T657-I831 VanDerWaalsContact CA-O 3.23Å; T657-I831 WeakPolarHBondContact CA-O 3.28Å; T657-T832 VanDerWaalsContact OG1-CB 3.31Å; T657-T832 WeakPolarHBondContact OG1-CB 3.33Å; T657-T832 PolarHBondContact OG1-OG1 3Å
658	F	96.4	Very high	96.4	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.1	-179.3	67.4	-79.8	0	0	0	112.1	V648 I649 Q660 P728 A729 L732 L830 I831	V648-F658 HydrophobicContact CG1-CD2 4.05Å; I649-F658 CarbonylContact O-C 3.46Å; I649-F658 WeakPolarHBondContact O-CA 3.18Å; F658-Q660 HydrophobicContact CD2-CB 4.27Å; F658-Q660 HydrophobicContact CE2-CB 3.99Å; F658-Q660 HydrophobicContact CE2-CG 4.1Å; F658-P728 HydrophobicContact CD1-CB 3.95Å; F658-P728 HydrophobicContact CE1-CB 3.55Å; F658-A729 HydrophobicContact CB-CB 4.03Å; F658-A729 HydrophobicContact CG-CB 4.22Å; F658-L732 HydrophobicContact CD2-CD2 4.42Å; F658-L732 HydrophobicContact CE2-CD2 3.66Å; F658-L732 HydrophobicContact CZ-CD2 4.45Å; F658-L830 CarbonylContact O-C 3.37Å; F658-L830 WeakPolarHBondContact O-CA 3.41Å; F658-I831 HydrophobicContact CE1-CB 4.23Å; F658-I831 HydrophobicContact CE1-CG2 3.92Å; F658-I831 HydrophobicContact CZ-CB 4.27Å; F658-I831 HydrophobicContact CZ-CG2 4.1Å; F658-I831 PolarHBondContact N-O 3.22Å; F658-I831 PolarHBondContact O-N 2.96Å
659	E	96.6	Very high	96.4	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	165	-174.1	172.2	-154.1	0	0	109.3	I649 R775 R828 L830	I649-E659 HydrophobicContact CB-CB 4.22Å; I649-E659 PolarHBondContact N-O 3.3Å; I649-E659 PolarHBondContact O-N 2.92Å; E659-R775 IonicContact OE1-CZ 2.76Å; E659-R775 IonicContact OE1-NH1 2.73Å; E659-R775 PolarHBondContact OE1-NH1 3.07Å; E659-R775 IonicContact OE1-NH2 3.33Å; E659-R775 PolarHBondContact OE1-NH2 2.84Å; E659-R775 IonicContact OE2-CZ 2.77Å; E659-R775 IonicContact OE2-NH1 2.89Å; E659-R775 IonicContact OE2-NH2 2.73Å; E659-R775 PolarHBondContact OE2-NH2 2.83Å; E659-R828 IonicContact OE2-CZ 2.81Å; E659-R828 VanDerWaalsContact OE2-CZ 3.24Å; E659-R828 IonicContact OE2-NE 2.72Å; E659-R828 PolarHBondContact OE2-NE 3.46Å; E659-R828 IonicContact OE2-NH2 3.68Å; E659-R828 PolarHBondContact OE2-NH2 3.2Å; E659-L830 HydrophobicContact CB-CG 4.07Å
660	Q	95.8	Very high	96.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.4	170	52	168.5	1.6	0	0	110	L600 Q647 F658 L732 I831	L600-Q660 HydrophobicContact CB-CB 4.22Å; L600-Q660 HydrophobicContact CB-CG 3.87Å; L600-Q660 HydrophobicContact CD1-CB 4.37Å; L600-Q660 PolarHBondContact N-O 3.25Å; Q647-Q660 WeakPolarHBondContact O-CA 3.4Å; F658-Q660 HydrophobicContact CD2-CB 4.27Å; F658-Q660 HydrophobicContact CE2-CB 3.99Å; F658-Q660 HydrophobicContact CE2-CG 4.1Å; Q660-L732 HydrophobicContact CB-CD2 3.72Å; Q660-L732 HydrophobicContact CG-CD2 4.49Å; Q660-I831 HydrophobicContact CG-CD1 3.88Å
661	G	96.4	Very high	96.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	-174.7	-178.7	0	0	0	0	0	113.2	C598 Q647	C598-G661 CarbonylContact O-C 3.56Å; C598-G661 WeakPolarHBondContact O-CA 3.41Å; Q647-G661 PolarHBondContact N-O 2.76Å; Q647-G661 PolarHBondContact O-N 2.94Å
662	V	97.9	Very high	96.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.7	171.7	170.5	0	0	0	0	108	M597 C598 L600 V611 V644 S645 L664 L768	M597-V662 WeakPolarHBondContact CA-O 3.46Å; C598-V662 PolarHBondContact N-O 3.27Å; C598-V662 PolarHBondContact O-N 2.99Å; L600-V662 HydrophobicContact CD1-CG2 4.32Å; L600-V662 HydrophobicContact CD2-CG2 4.49Å; L600-V662 HydrophobicContact CG-CG2 4.44Å; V611-V662 HydrophobicContact CG1-CG2 3.73Å; V644-V662 HydrophobicContact CG1-CG1 3.13Å; S645-V662 CarbonylContact O-C 3.56Å; S645-V662 VanDerWaalsContact O-CA 3.28Å; S645-V662 WeakPolarHBondContact O-CA 3.41Å; V662-L664 HydrophobicContact CG1-CD1 4.19Å; V662-L768 HydrophobicContact CB-CD1 4.45Å; V662-L768 HydrophobicContact CB-CD2 4.1Å; V662-L768 HydrophobicContact CG2-CD1 3.76Å; V662-L768 HydrophobicContact CG2-CD2 3.82Å; V662-L768 HydrophobicContact CG2-CG 4.48Å
663	L	98.1	Very high	96.5	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.073	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.5	175.2	176.3	68.4	0	0	0	109.2	R595 A596 M597 V644 S645 Q647 F965	R595-L663 HydrophobicContact CB-CD1 4.1Å; R595-L663 HydrophobicContact CG-CD1 4.32Å; A596-L663 WeakPolarHBondContact O-CA 3.47Å; M597-L663 HydrophobicContact CE-CB 4.21Å; M597-L663 HydrophobicContact CE-CD1 4.21Å; M597-L663 HydrophobicContact SD-CB 4.44Å; V644-L663 CarbonylContact C-O 3.6Å; V644-L663 WeakPolarHBondContact CA-O 3.5Å; S645-L663 PolarHBondContact N-O 2.9Å; S645-L663 PolarHBondContact O-N 3.21Å; S645-L663 PolarHBondContact OG-O 2.85Å; Q647-L663 HydrophobicContact CG-CB 3.58Å; L663-F965 HydrophobicContact CD1-CE1 3.98Å
664	L	98.1	Very high	96.7	Very high	3 Å²	3	24 Å²	24	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.5	168.5	-62.1	73.3	0	0	0	107.4	R595 A596 C598 S643 V644 V662 W680 F684	R595-L664 VanDerWaalsContact CA-O 3.24Å; R595-L664 WeakPolarHBondContact CA-O 3.38Å; A596-L664 HydrophobicContact CB-CB 4.2Å; A596-L664 HydrophobicContact CB-CD1 4.41Å; A596-L664 PolarHBondContact N-O 2.67Å; A596-L664 WeakPolarHBondContact O-CD1 3.36Å; A596-L664 PolarHBondContact O-N 3.16Å; C598-L664 HydrophobicContact CB-CD1 4.43Å; S643-L664 WeakPolarHBondContact O-CA 3.46Å; V644-L664 HydrophobicContact CG2-CG 4.32Å; V662-L664 HydrophobicContact CG1-CD1 4.19Å; L664-W680 HydrophobicContact CB-CH2 3.93Å; L664-W680 HydrophobicContact CB-CZ2 4.18Å; L664-W680 HydrophobicContact CB-CZ3 4.39Å; L664-W680 HydrophobicContact CD2-CE3 4.02Å; L664-W680 HydrophobicContact CD2-CH2 4.13Å; L664-W680 HydrophobicContact CD2-CZ3 3.74Å; L664-W680 HydrophobicContact CG-CH2 4.23Å; L664-W680 HydrophobicContact CG-CZ3 4.26Å; L664-F684 HydrophobicContact CD2-CE2 3.29Å; L664-F684 HydrophobicContact CD2-CZ 3.44Å; L664-F684 VanDerWaalsContact CD2-CZ 3.44Å
665	F	97.9	Very high	96.8	Very high	48 Å²	48	23.7 Å²	23.7	21%	0.211	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.9	178.3	173.6	-107.4	0	0	0	110.2	Y593 F594 R595 M642 S643 F667	Y593-F665 HydrophobicContact CD1-CE2 4.18Å; Y593-F665 HydrophobicContact CD1-CZ 4.07Å; F594-F665 WeakPolarHBondContact O-CA 3.42Å; R595-F665 HydrophobicContact CG-CD2 3.72Å; R595-F665 HydrophobicContact CG-CE2 4.49Å; M642-F665 CarbonylContact C-O 3.44Å; M642-F665 WeakPolarHBondContact CA-O 3.49Å; S643-F665 PolarHBondContact N-O 2.66Å; S643-F665 PolarHBondContact O-N 3.23Å; F665-F667 AromaticContact CE1-CD1 3.85Å; F665-F667 HydrophobicContact CE1-CD1 3.85Å; F665-F667 HydrophobicContact CE1-CE1 4.26Å; F665-F667 HydrophobicContact CZ-CD1 4.02Å
666	S	97.8	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161.6	169.9	62.3	0	0	0	0	111.1	F594 G641 M676 W680	F594-S666 PolarHBondContact N-O 3.09Å; F594-S666 PolarHBondContact O-N 2.83Å; G641-S666 VanDerWaalsContact O-CA 3.29Å; G641-S666 WeakPolarHBondContact O-CA 3.5Å; G641-S666 WeakPolarHBondContact O-CB 3.35Å; S666-M676 PolarHBondContact OG-SD 3.3Å; S666-W680 PolarHBondContact OG-NE1 2.91Å
667	F	97.3	Very high	97	Very high	30 Å²	30	21.4 Å²	21.4	13%	0.132	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.8	172.7	65.7	-71.8	0	0	0	111.1	I431 V592 Y593 T639 G640 G641 F665	I431-F667 HydrophobicContact CG2-CD2 4.03Å; I431-F667 HydrophobicContact CG2-CE2 3.38Å; I431-F667 HydrophobicContact CG2-CZ 4.23Å; V592-F667 WeakPolarHBondContact O-CA 3.29Å; V592-F667 WeakPolarHBondContact O-CB 3.34Å; Y593-F667 HydrophobicContact CD1-CB 3.45Å; Y593-F667 VanDerWaalsContact CD1-CB 3.45Å; Y593-F667 HydrophobicContact CD1-CG 4.11Å; Y593-F667 HydrophobicContact CE1-CB 3.77Å; Y593-F667 HydrophobicContact CE1-CD2 4.08Å; Y593-F667 HydrophobicContact CE1-CG 4.02Å; Y593-F667 HydrophobicContact CG-CB 4.16Å; T639-F667 WeakPolarHBondContact CA-O 3.33Å; T639-F667 WeakPolarHBondContact CB-O 3.32Å; G640-F667 VanDerWaalsContact C-CE1 3.45Å; G640-F667 VanDerWaalsContact C-CZ 3.46Å; G640-F667 PolarHBondContact N-O 2.87Å; G640-F667 VanDerWaalsContact O-CE1 3.28Å; G640-F667 WeakPolarHBondContact O-CE1 3.21Å; G640-F667 WeakPolarHBondContact O-CZ 3.38Å; G641-F667 PolarHBondContact O-N 3.08Å; F665-F667 AromaticContact CE1-CD1 3.85Å; F665-F667 HydrophobicContact CE1-CD1 3.85Å; F665-F667 HydrophobicContact CE1-CE1 4.26Å; F665-F667 HydrophobicContact CZ-CD1 4.02Å
668	C	97.1	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	167.5	-179.9	64.1	0	0	0	0	110.7	L591 V592 R638 N672 M676	L591-C668 CarbonylContact C-O 3.55Å; L591-C668 WeakPolarHBondContact CA-O 3.45Å; L591-C668 WeakPolarHBondContact CD2-O 3.26Å; V592-C668 PolarHBondContact N-O 3.05Å; V592-C668 PolarHBondContact O-N 3.04Å; V592-C668 VanDerWaalsContact O-N 3.09Å; R638-C668 WeakPolarHBondContact O-CB 3.22Å; C668-N672 HydrophobicContact CB-CB 4.21Å; C668-M676 HydrophobicContact CB-CB 4.3Å; C668-M676 HydrophobicContact CB-SD 3.95Å
669	L	95.3	Very high	97.1	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	148.1	167.8	-62.6	164	0	0	0	109.6	E430 I431 K434 G590 L591 R671 N672	E430-L669 HydrophobicContact CG-CD1 4.34Å; I431-L669 HydrophobicContact CD1-CD1 4.39Å; I431-L669 HydrophobicContact CD1-CG 4.16Å; I431-L669 HydrophobicContact CG1-CD1 3.84Å; I431-L669 HydrophobicContact CG1-CD2 4.15Å; I431-L669 HydrophobicContact CG1-CG 3.71Å; K434-L669 HydrophobicContact CD-CD2 3.59Å; G590-L669 WeakPolarHBondContact O-CA 3.46Å; L591-L669 HydrophobicContact CD2-CD2 3.68Å; L591-L669 HydrophobicContact CD2-CG 4.19Å; L591-L669 HydrophobicContact CG-CD2 4.5Å; L669-R671 HydrophobicContact CB-CG 4.28Å; L669-R671 VanDerWaalsContact CD1-CZ 3.43Å; L669-R671 PolarHBondContact O-N 3.19Å; L669-N672 PolarHBondContact O-N 3.47Å
670	D	94.7	Very high	97.2	Very high	43 Å²	43	26.9 Å²	26.9	23%	0.23	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-45.2	-44.4	-178	-63.3	-16.5	0	0	0	112.8	G590 V592 N672 L673 I784	G590-D670 WeakPolarHBondContact CA-OD2 3.49Å; G590-D670 PolarHBondContact O-N 3.3Å; G590-D670 VanDerWaalsContact O-N 3.11Å; V592-D670 WeakPolarHBondContact CG2-OD1 3Å; D670-N672 VanDerWaalsContact C-N 3.26Å; D670-N672 PolarHBondContact O-N 3.15Å; D670-L673 WeakPolarHBondContact O-CB 3.32Å; D670-L673 PolarHBondContact O-N 3.44Å; D670-I784 HydrophobicContact CB-CD1 4.3Å; D670-I784 HydrophobicContact CB-CG1 4.17Å
671	R	95.4	Very high	97.2	Very high	141 Å²	141	27 Å²	27	53%	0.532	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-66.1	-19.6	-179.2	68.9	-175	-176.4	-103.4	3	115.3	E430 L669	E430-R671 IonicContact OE1-CZ 2.64Å; E430-R671 IonicContact OE1-NH1 2.67Å; E430-R671 PolarHBondContact OE1-NH1 3.28Å; E430-R671 IonicContact OE1-NH2 3.1Å; E430-R671 IonicContact OE2-CZ 3.31Å; E430-R671 IonicContact OE2-NH1 3.2Å; E430-R671 IonicContact OE2-NH2 2.67Å; E430-R671 PolarHBondContact OE2-NH2 3.37Å; L669-R671 HydrophobicContact CB-CG 4.28Å; L669-R671 VanDerWaalsContact CD1-CZ 3.43Å; L669-R671 PolarHBondContact O-N 3.19Å
672	N	97	Very high	97.3	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-102	1.4	-177.2	-77.3	-29	0	0	0	113	H427 R638 C668 L669 D670 H675 M676	H427-N672 PolarHBondContact NE2-ND2 2.85Å; R638-N672 WeakPolarHBondContact O-CB 3.46Å; R638-N672 PolarHBondContact O-ND2 3.21Å; C668-N672 HydrophobicContact CB-CB 4.21Å; L669-N672 PolarHBondContact O-N 3.47Å; D670-N672 VanDerWaalsContact C-N 3.26Å; D670-N672 PolarHBondContact O-N 3.15Å; N672-H675 WeakPolarHBondContact O-CB 3.33Å; N672-H675 PolarHBondContact O-N 2.82Å; N672-M676 PolarHBondContact O-N 3.28Å
673	L	97.2	Very high	97.2	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-52.4	-46.2	-178.4	177.1	64.9	0	0	0	114.3	V592 D670 H675 M676 F677 E791	V592-L673 HydrophobicContact CB-CD1 4.28Å; V592-L673 HydrophobicContact CG1-CD1 3.77Å; D670-L673 WeakPolarHBondContact O-CB 3.32Å; D670-L673 PolarHBondContact O-N 3.44Å; L673-H675 VanDerWaalsContact C-N 3.29Å; L673-H675 PolarHBondContact O-N 3.11Å; L673-M676 HydrophobicContact CD1-CE 3.72Å; L673-M676 PolarHBondContact O-N 3.47Å; L673-F677 HydrophobicContact CD1-CD2 3.8Å; L673-F677 HydrophobicContact CD1-CE2 3.48Å; L673-F677 VanDerWaalsContact CD1-CE2 3.48Å; L673-F677 HydrophobicContact CD1-CZ 4.47Å; L673-F677 HydrophobicContact CG-CD2 4.24Å; L673-F677 HydrophobicContact CG-CE2 4.21Å; L673-F677 PolarHBondContact O-N 3.16Å; L673-E791 HydrophobicContact CD2-CB 4.26Å; L673-E791 HydrophobicContact CD2-CG 4.09Å; L673-E791 HydrophobicContact CG-CB 4.21Å; L673-E791 HydrophobicContact CG-CG 4.19Å
674	P	97.8	Very high	97.1	Very high	57 Å²	57	27.3 Å²	27.3	37%	0.37	13%	0.127	S	C	.	.	H	α-helix	trans	-61.9	-37.2	176.5	-22.4	33.8	0	0	0	112.7	F677 K678 E791	P674-F677 PolarHBondContact O-N 3.11Å; P674-K678 WeakPolarHBondContact O-CB 3.36Å; P674-K678 PolarHBondContact O-N 3.4Å; P674-E791 WeakPolarHBondContact CB-OE2 3.23Å; P674-E791 HydrophobicContact CG-CG 4.29Å
675	H	97.3	Very high	97	Very high	82 Å²	82	29.3 Å²	29.3	38%	0.38	14%	0.137	S	C	.	.	H	α-helix	trans	-68.6	-39	178.8	-64.6	-65	0	0	0	112.2	R638 N672 L673 F677 K678 L679	R638-H675 HydrophobicContact CB-CB 3.95Å; R638-H675 HydrophobicContact CG-CB 3.89Å; N672-H675 WeakPolarHBondContact O-CB 3.33Å; N672-H675 PolarHBondContact O-N 2.82Å; L673-H675 VanDerWaalsContact C-N 3.29Å; L673-H675 PolarHBondContact O-N 3.11Å; H675-F677 VanDerWaalsContact C-N 3.34Å; H675-K678 PolarHBondContact O-N 3.04Å; H675-L679 PolarHBondContact O-N 3.12Å
676	M	98.1	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-44.5	174.8	-177.2	-178.3	71.7	0	0	111.2	F594 T639 S666 C668 N672 L673 L679 W680	F594-M676 HydrophobicContact CB-CE 3.82Å; T639-M676 HydrophobicContact CG2-CB 4.06Å; T639-M676 HydrophobicContact CG2-CG 3.95Å; S666-M676 PolarHBondContact OG-SD 3.3Å; C668-M676 HydrophobicContact CB-CB 4.3Å; C668-M676 HydrophobicContact CB-SD 3.95Å; N672-M676 PolarHBondContact O-N 3.28Å; L673-M676 HydrophobicContact CD1-CE 3.72Å; L673-M676 PolarHBondContact O-N 3.47Å; M676-L679 PolarHBondContact O-N 3.33Å; M676-W680 PolarHBondContact O-N 2.94Å; M676-W680 VanDerWaalsContact O-N 3.13Å
677	F	98.1	Very high	96.8	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.022	15%	0.152	C	C	.	.	H	α-helix	trans	-70.6	-34.5	177.5	-81.6	-56.9	0	0	0	113.2	F594 L673 P674 H675 L679 W680 S681 M778 E791 L792 F795	F594-F677 HydrophobicContact CD1-CE1 4.15Å; F594-F677 AromaticContact CD2-CE1 3.83Å; F594-F677 HydrophobicContact CD2-CE1 3.83Å; F594-F677 AromaticContact CD2-CZ 3.95Å; F594-F677 HydrophobicContact CD2-CZ 3.95Å; F594-F677 HydrophobicContact CE1-CE1 4.18Å; F594-F677 AromaticContact CE2-CE1 3.86Å; F594-F677 HydrophobicContact CE2-CE1 3.86Å; F594-F677 HydrophobicContact CE2-CZ 4.32Å; F594-F677 AromaticContact CG-CE1 3.96Å; F594-F677 HydrophobicContact CG-CE1 3.96Å; F594-F677 HydrophobicContact CG-CZ 4.17Å; F594-F677 HydrophobicContact CZ-CE1 4.02Å; L673-F677 HydrophobicContact CD1-CD2 3.8Å; L673-F677 HydrophobicContact CD1-CE2 3.48Å; L673-F677 VanDerWaalsContact CD1-CE2 3.48Å; L673-F677 HydrophobicContact CD1-CZ 4.47Å; L673-F677 HydrophobicContact CG-CD2 4.24Å; L673-F677 HydrophobicContact CG-CE2 4.21Å; L673-F677 PolarHBondContact O-N 3.16Å; P674-F677 PolarHBondContact O-N 3.11Å; H675-F677 VanDerWaalsContact C-N 3.34Å; F677-L679 VanDerWaalsContact C-N 3.33Å; F677-L679 PolarHBondContact O-N 2.81Å; F677-W680 PolarHBondContact O-N 3.43Å; F677-S681 PolarHBondContact O-N 3.08Å; F677-S681 PolarHBondContact O-OG 2.97Å; F677-M778 HydrophobicContact CZ-SD 4.09Å; F677-E791 HydrophobicContact CD2-CB 3.72Å; F677-E791 HydrophobicContact CE2-CB 3.99Å; F677-L792 HydrophobicContact CE1-CD1 3.78Å; F677-L792 HydrophobicContact CE2-CB 4.31Å; F677-L792 HydrophobicContact CZ-CB 3.96Å; F677-L792 HydrophobicContact CZ-CD1 3.86Å; F677-L792 HydrophobicContact CZ-CG 4.5Å; F677-F795 HydrophobicContact CB-CB 4.15Å; F677-F795 HydrophobicContact CD1-CB 3.66Å; F677-F795 HydrophobicContact CD1-CD1 4.16Å; F677-F795 HydrophobicContact CD1-CD2 4.22Å; F677-F795 AromaticContact CD1-CG 3.74Å; F677-F795 HydrophobicContact CD1-CG 3.74Å; F677-F795 HydrophobicContact CE1-CB 4.32Å; F677-F795 HydrophobicContact CE1-CD1 4.27Å; F677-F795 HydrophobicContact CE1-CG 4.3Å; F677-F795 HydrophobicContact CG-CB 4.05Å
678	K	97.6	Very high	96.7	Very high	113 Å²	113	31.8 Å²	31.8	49%	0.491	16%	0.158	S	C	.	.	H	α-helix	trans	-58.1	-44.8	171.4	177.4	54.7	179.1	157	0	111.7	P674 H675 W680 S681 D682	P674-K678 WeakPolarHBondContact O-CB 3.36Å; P674-K678 PolarHBondContact O-N 3.4Å; H675-K678 PolarHBondContact O-N 3.04Å; K678-W680 PolarHBondContact O-N 3.42Å; K678-S681 WeakPolarHBondContact O-CB 3.43Å; K678-S681 PolarHBondContact O-N 3.38Å; K678-D682 WeakPolarHBondContact CE-OD2 3.49Å; K678-D682 IonicContact NZ-OD1 2.9Å; K678-D682 PolarHBondContact NZ-OD1 3.5Å; K678-D682 IonicContact NZ-OD2 3.72Å; K678-D682 PolarHBondContact NZ-OD2 2.95Å; K678-D682 PolarHBondContact O-N 3.01Å
679	L	97.9	Very high	96.6	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-43.5	174.9	-72.7	168.9	0	0	0	111.9	L626 Q634 M635 T639 M642 H675 M676 F677 D682 I683	L626-L679 HydrophobicContact CD1-CD2 4.05Å; Q634-L679 HydrophobicContact CB-CD1 4.36Å; Q634-L679 HydrophobicContact CB-CD2 3.97Å; M635-L679 HydrophobicContact CG-CD1 4.09Å; T639-L679 HydrophobicContact CG2-CD1 4.18Å; M642-L679 HydrophobicContact CE-CB 3.87Å; M642-L679 HydrophobicContact SD-CB 3.94Å; M642-L679 HydrophobicContact SD-CD1 3.96Å; H675-L679 PolarHBondContact O-N 3.12Å; M676-L679 PolarHBondContact O-N 3.33Å; F677-L679 VanDerWaalsContact C-N 3.33Å; F677-L679 PolarHBondContact O-N 2.81Å; L679-D682 PolarHBondContact O-N 2.85Å; L679-I683 WeakPolarHBondContact O-CB 3.44Å; L679-I683 WeakPolarHBondContact O-CD1 3.47Å; L679-I683 WeakPolarHBondContact O-CG1 3.36Å; L679-I683 PolarHBondContact O-N 3.28Å
680	W	97.9	Very high	96.3	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-43.2	173.8	-79.7	125.4	0	0	0	112.5	F594 T619 M642 V644 L664 S666 M676 F677 K678 D682 I683 F684 F795	F594-W680 AromaticContact CD1-CD1 3.85Å; F594-W680 AromaticContact CD1-NE1 3.5Å; F594-W680 AromaticContact CE1-CD1 3.82Å; F594-W680 HydrophobicContact CE1-CG 4.32Å; F594-W680 AromaticContact CE1-NE1 3.72Å; T619-W680 HydrophobicContact CG2-CH2 4.31Å; T619-W680 HydrophobicContact CG2-CZ3 4.28Å; M642-W680 HydrophobicContact CB-CH2 4.28Å; M642-W680 HydrophobicContact CB-CZ2 3.98Å; M642-W680 HydrophobicContact CE-CB 4.44Å; M642-W680 HydrophobicContact CE-CD2 3.29Å; M642-W680 HydrophobicContact CE-CE3 3.85Å; M642-W680 HydrophobicContact CE-CG 3.55Å; M642-W680 HydrophobicContact CE-CH2 4.24Å; M642-W680 HydrophobicContact CE-CZ2 3.76Å; M642-W680 HydrophobicContact CE-CZ3 4.28Å; M642-W680 HydrophobicContact CG-CZ2 4.49Å; V644-W680 HydrophobicContact CG2-CH2 3.85Å; V644-W680 HydrophobicContact CG2-CZ3 4.07Å; L664-W680 HydrophobicContact CB-CH2 3.93Å; L664-W680 HydrophobicContact CB-CZ2 4.18Å; L664-W680 HydrophobicContact CB-CZ3 4.39Å; L664-W680 HydrophobicContact CD2-CE3 4.02Å; L664-W680 HydrophobicContact CD2-CH2 4.13Å; L664-W680 HydrophobicContact CD2-CZ3 3.74Å; L664-W680 HydrophobicContact CG-CH2 4.23Å; L664-W680 HydrophobicContact CG-CZ3 4.26Å; S666-W680 PolarHBondContact OG-NE1 2.91Å; M676-W680 PolarHBondContact O-N 2.94Å; M676-W680 VanDerWaalsContact O-N 3.13Å; F677-W680 PolarHBondContact O-N 3.43Å; K678-W680 PolarHBondContact O-N 3.42Å; W680-D682 VanDerWaalsContact C-N 3.3Å; W680-D682 PolarHBondContact O-N 3.3Å; W680-I683 HydrophobicContact CE3-CB 4.41Å; W680-I683 HydrophobicContact CE3-CD1 4.09Å; W680-I683 HydrophobicContact CE3-CG2 4.33Å; W680-I683 HydrophobicContact CZ3-CD1 4.29Å; W680-I683 HydrophobicContact CZ3-CG2 4.36Å; W680-I683 PolarHBondContact O-N 3.47Å; W680-F684 HydrophobicContact CE3-CD2 4.45Å; W680-F684 HydrophobicContact CE3-CE2 4.13Å; W680-F684 WeakPolarHBondContact O-CD2 3.34Å; W680-F684 PolarHBondContact O-N 3.29Å; W680-F795 HydrophobicContact CB-CD2 4.07Å; W680-F795 HydrophobicContact CB-CE2 3.62Å; W680-F795 HydrophobicContact CB-CZ 4.24Å
681	S	97.1	Very high	96.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-46.4	175.3	-68.7	0	0	0	0	110.8	F677 K678 F684 N685 F795 D798	F677-S681 PolarHBondContact O-N 3.08Å; F677-S681 PolarHBondContact O-OG 2.97Å; K678-S681 WeakPolarHBondContact O-CB 3.43Å; K678-S681 PolarHBondContact O-N 3.38Å; S681-F684 PolarHBondContact O-N 3.5Å; S681-N685 VanDerWaalsContact O-CB 3.27Å; S681-N685 WeakPolarHBondContact O-CB 3.34Å; S681-N685 PolarHBondContact O-N 3.5Å; S681-N685 PolarHBondContact O-ND2 2.92Å; S681-F795 WeakPolarHBondContact OG-CD2 3.21Å; S681-D798 PolarHBondContact OG-OD2 3.3Å
682	D	97.3	Very high	95.9	Very high	24 Å²	24	35.1 Å²	35.1	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-40.3	-179.6	-66.2	-22	0	0	0	111.9	C623 K678 L679 W680 F684 S686	C623-D682 HydrophobicContact CB-CB 4.1Å; K678-D682 WeakPolarHBondContact CE-OD2 3.49Å; K678-D682 IonicContact NZ-OD1 2.9Å; K678-D682 PolarHBondContact NZ-OD1 3.5Å; K678-D682 IonicContact NZ-OD2 3.72Å; K678-D682 PolarHBondContact NZ-OD2 2.95Å; K678-D682 PolarHBondContact O-N 3.01Å; L679-D682 PolarHBondContact O-N 2.85Å; W680-D682 VanDerWaalsContact C-N 3.3Å; W680-D682 PolarHBondContact O-N 3.3Å; D682-F684 VanDerWaalsContact C-N 3.34Å; D682-F684 PolarHBondContact O-N 2.99Å; D682-S686 CarbonylContact O-C 3.41Å; D682-S686 VanDerWaalsContact O-C 3.31Å; D682-S686 WeakPolarHBondContact O-CA 3.4Å; D682-S686 PolarHBondContact O-N 3.23Å
683	I	96.6	Very high	95.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-38.3	174.9	-69.8	161.8	0	0	0	111.5	I618 T619 C623 M642 L679 W680 P687 L769	I618-I683 HydrophobicContact CG1-CG2 3.95Å; T619-I683 HydrophobicContact CG2-CD1 4.22Å; C623-I683 HydrophobicContact CB-CG1 3.99Å; M642-I683 HydrophobicContact CE-CD1 3.87Å; L679-I683 WeakPolarHBondContact O-CB 3.44Å; L679-I683 WeakPolarHBondContact O-CD1 3.47Å; L679-I683 WeakPolarHBondContact O-CG1 3.36Å; L679-I683 PolarHBondContact O-N 3.28Å; W680-I683 HydrophobicContact CE3-CB 4.41Å; W680-I683 HydrophobicContact CE3-CD1 4.09Å; W680-I683 HydrophobicContact CE3-CG2 4.33Å; W680-I683 HydrophobicContact CZ3-CD1 4.29Å; W680-I683 HydrophobicContact CZ3-CG2 4.36Å; W680-I683 PolarHBondContact O-N 3.47Å; I683-P687 WeakPolarHBondContact O-CB 3.38Å; I683-P687 VanDerWaalsContact O-CD 3.26Å; I683-P687 WeakPolarHBondContact O-CD 3.49Å; I683-P687 WeakPolarHBondContact O-CG 3.47Å; I683-L769 WeakPolarHBondContact O-CD1 3.48Å
684	F	95.6	Very high	95.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.2	-48.8	177.3	-90.3	-115.6	0	0	0	112	L664 W680 S681 D682 K765 L769 M774 F795 V799	L664-F684 HydrophobicContact CD2-CE2 3.29Å; L664-F684 HydrophobicContact CD2-CZ 3.44Å; L664-F684 VanDerWaalsContact CD2-CZ 3.44Å; W680-F684 HydrophobicContact CE3-CD2 4.45Å; W680-F684 HydrophobicContact CE3-CE2 4.13Å; W680-F684 WeakPolarHBondContact O-CD2 3.34Å; W680-F684 PolarHBondContact O-N 3.29Å; S681-F684 PolarHBondContact O-N 3.5Å; D682-F684 VanDerWaalsContact C-N 3.34Å; D682-F684 PolarHBondContact O-N 2.99Å; F684-K765 WeakPolarHBondContact O-CE 3.48Å; F684-K765 PolarHBondContact O-NZ 3.15Å; F684-L769 HydrophobicContact CD1-CB 3.82Å; F684-L769 HydrophobicContact CD1-CD2 4.37Å; F684-L769 HydrophobicContact CD2-CD2 4.29Å; F684-L769 HydrophobicContact CE1-CB 4.2Å; F684-L769 HydrophobicContact CE1-CD2 4.2Å; F684-L769 HydrophobicContact CE2-CD2 4.14Å; F684-L769 HydrophobicContact CG-CB 4.19Å; F684-L769 HydrophobicContact CG-CD2 4.42Å; F684-L769 HydrophobicContact CZ-CD2 4.09Å; F684-M774 HydrophobicContact CE1-SD 4.19Å; F684-M774 HydrophobicContact CZ-SD 4.19Å; F684-F795 HydrophobicContact CD1-CZ 4.47Å; F684-F795 HydrophobicContact CD2-CE2 4.23Å; F684-F795 HydrophobicContact CD2-CZ 4.1Å; F684-F795 HydrophobicContact CE1-CZ 4.34Å; F684-F795 HydrophobicContact CE2-CE2 4.46Å; F684-F795 AromaticContact CE2-CZ 3.92Å; F684-F795 HydrophobicContact CE2-CZ 3.92Å; F684-F795 HydrophobicContact CG-CE2 4.45Å; F684-F795 HydrophobicContact CG-CZ 4.35Å; F684-F795 HydrophobicContact CZ-CZ 4.06Å; F684-V799 HydrophobicContact CB-CB 4.34Å; F684-V799 HydrophobicContact CB-CG1 3.55Å; F684-V799 HydrophobicContact CD1-CB 4.26Å; F684-V799 HydrophobicContact CD1-CG1 4.07Å; F684-V799 HydrophobicContact CG-CG1 3.94Å
685	N	95.8	Very high	95.4	Very high	45 Å²	45	39.1 Å²	39.1	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-80.2	-45.8	-169.9	-69.9	-19.6	0	0	0	111.8	S681 K765 D798 N802	S681-N685 VanDerWaalsContact O-CB 3.27Å; S681-N685 WeakPolarHBondContact O-CB 3.34Å; S681-N685 PolarHBondContact O-N 3.5Å; S681-N685 PolarHBondContact O-ND2 2.92Å; N685-K765 PolarHBondContact O-NZ 3.32Å; N685-D798 PolarHBondContact ND2-O 2.97Å; N685-N802 PolarHBondContact OD1-ND2 2.82Å
686	S	95.6	Very high	95.2	Very high	62 Å²	62	37.8 Å²	37.8	43%	0.434	19%	0.193	S	C	.	.			trans	-139.6	53.1	-166.8	-58.3	0	0	0	0	113.4	C623 G624 D682	C623-S686 CarbonylContact C-O 3.59Å; C623-S686 WeakPolarHBondContact CA-O 3.45Å; G624-S686 PolarHBondContact N-O 3.01Å; D682-S686 CarbonylContact O-C 3.41Å; D682-S686 VanDerWaalsContact O-C 3.31Å; D682-S686 WeakPolarHBondContact O-CA 3.4Å; D682-S686 PolarHBondContact O-N 3.23Å
687	P	95.9	Very high	95	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.091	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-67.4	140.7	172.8	30.5	-33.2	0	0	0	110.3	I618 I683 F689 K765	I618-P687 HydrophobicContact CD1-CB 3.69Å; I618-P687 HydrophobicContact CD1-CG 4.21Å; I683-P687 WeakPolarHBondContact O-CB 3.38Å; I683-P687 VanDerWaalsContact O-CD 3.26Å; I683-P687 WeakPolarHBondContact O-CD 3.49Å; I683-P687 WeakPolarHBondContact O-CG 3.47Å; P687-F689 HydrophobicContact CB-CE1 4.25Å; P687-F689 HydrophobicContact CB-CE2 4.09Å; P687-F689 HydrophobicContact CB-CZ 3.8Å; P687-F689 HydrophobicContact CG-CD2 4.33Å; P687-F689 HydrophobicContact CG-CE1 4.48Å; P687-F689 HydrophobicContact CG-CE2 3.51Å; P687-F689 HydrophobicContact CG-CZ 3.59Å; P687-K765 VanDerWaalsContact CD-CE 3.47Å; P687-K765 HydrophobicContact CG-CD 3.89Å; P687-K765 HydrophobicContact CG-CG 4.19Å
688	H	96.1	Very high	94.8	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.245	20%	0.197	C	C	.	.			trans	-79.8	134.7	174	-62.6	175.6	0	0	0	109.8	M621 G622 G624 L626	M621-H688 WeakPolarHBondContact CB-O 3.29Å; G622-H688 PolarHBondContact O-N 3.4Å; G624-H688 PolarHBondContact O-NE2 3.35Å; L626-H688 PolarHBondContact O-CE1 2.96Å
689	F	94.4	Very high	94.6	Very high	20 Å²	20	33 Å²	33	9%	0.088	17%	0.174	C	C	.	.			trans	-134.8	9.1	179.4	-66	-50	0	0	0	112.6	F614 I618 P687 I758 L761 P762 K765	F614-F689 HydrophobicContact CE2-CE1 4.13Å; F614-F689 AromaticContact CE2-CZ 3.78Å; F614-F689 HydrophobicContact CE2-CZ 3.78Å; F614-F689 HydrophobicContact CZ-CZ 4.48Å; I618-F689 HydrophobicContact CD1-CE1 3.61Å; I618-F689 HydrophobicContact CD1-CZ 3.51Å; P687-F689 HydrophobicContact CB-CE1 4.25Å; P687-F689 HydrophobicContact CB-CE2 4.09Å; P687-F689 HydrophobicContact CB-CZ 3.8Å; P687-F689 HydrophobicContact CG-CD2 4.33Å; P687-F689 HydrophobicContact CG-CE1 4.48Å; P687-F689 HydrophobicContact CG-CE2 3.51Å; P687-F689 HydrophobicContact CG-CZ 3.59Å; F689-I758 WeakPolarHBondContact O-CG2 3.33Å; F689-L761 HydrophobicContact CD1-CB 3.63Å; F689-L761 HydrophobicContact CD1-CD1 3.74Å; F689-L761 HydrophobicContact CD1-CG 4.34Å; F689-L761 HydrophobicContact CD2-CB 4.44Å; F689-L761 HydrophobicContact CE1-CB 3.83Å; F689-L761 HydrophobicContact CE1-CD1 4.32Å; F689-L761 HydrophobicContact CG-CB 3.97Å; F689-L761 HydrophobicContact CG-CD1 4.47Å; F689-L761 HydrophobicContact CZ-CB 4.3Å; F689-P762 HydrophobicContact CB-CG 4.32Å; F689-P762 HydrophobicContact CD2-CB 4.39Å; F689-P762 HydrophobicContact CD2-CG 3.83Å; F689-P762 HydrophobicContact CG-CG 4.36Å; F689-K765 HydrophobicContact CE2-CB 3.92Å; F689-K765 HydrophobicContact CE2-CD 4.06Å; F689-K765 HydrophobicContact CE2-CG 4.12Å; F689-K765 HydrophobicContact CZ-CB 4.18Å; F689-K765 HydrophobicContact CZ-CG 4.4Å
690	D	88.8	Confident	94.3	Very high	128 Å²	128	33.8 Å²	33.8	68%	0.684	18%	0.178	S	C	*	.			trans	-97.3	-19.9	-169.8	53.3	-48.6	0	0	0	113	E692	D690-E692 PolarHBondContact O-N 3.35Å; D690-E692 VanDerWaalsContact O-N 3.12Å
691	S	90.6	Very high	94	Very high	43 Å²	43	35 Å²	35	30%	0.301	18%	0.184	S	C	.	.			trans	-78.9	94.7	176.5	-174.6	0	0	0	0	112	M621 E693 R694 L695	M621-S691 WeakPolarHBondContact CE-O 3.25Å; S691-E693 VanDerWaalsContact C-N 3.33Å; S691-R694 PolarHBondContact O-N 3.01Å; S691-R694 VanDerWaalsContact OG-CB 3.23Å; S691-R694 WeakPolarHBondContact OG-CB 3.27Å; S691-R694 PolarHBondContact OG-N 2.87Å; S691-L695 PolarHBondContact O-N 2.86Å; S691-L695 VanDerWaalsContact O-N 3.16Å
692	E	92.1	Very high	93.7	Very high	66 Å²	66	35.5 Å²	35.5	31%	0.308	19%	0.187	S	C	.	.	H	α-helix	trans	-62.9	-39.5	172.9	-174.3	168.3	-168.8	0	0	112.7	D690 R694 L695 H696 D753 L754 I758	D690-E692 PolarHBondContact O-N 3.35Å; D690-E692 VanDerWaalsContact O-N 3.12Å; E692-R694 VanDerWaalsContact C-N 3.34Å; E692-R694 PolarHBondContact O-N 3.24Å; E692-L695 PolarHBondContact O-N 2.99Å; E692-H696 PolarHBondContact O-N 3.36Å; E692-D753 VanDerWaalsContact OE1-OD1 3.14Å; E692-L754 HydrophobicContact CG-CB 4.26Å; E692-L754 PolarHBondContact OE1-N 2.86Å; E692-I758 HydrophobicContact CB-CD1 3.52Å; E692-I758 HydrophobicContact CG-CD1 3.89Å
693	E	91.6	Very high	93.5	Very high	139 Å²	139	34.6 Å²	34.6	65%	0.65	18%	0.183	S	C	*	.	H	α-helix	trans	-60.5	-44.3	178.7	-63.4	-172.9	153.9	0	0	111.8	S691 H696 V697	S691-E693 VanDerWaalsContact C-N 3.33Å; E693-H696 PolarHBondContact O-N 3.06Å; E693-V697 PolarHBondContact O-N 3.34Å
694	R	93.6	Very high	93.1	Very high	14 Å²	14	35.1 Å²	35.1	5%	0.053	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-41.4	177.9	-177.9	58.6	179.5	166.7	1	111.7	Y359 K620 M621 Y628 S691 E692 H696 V697 L698	Y359-R694 PolarHBondContact OH-NH1 2.81Å; K620-R694 PolarHBondContact O-NE 2.99Å; K620-R694 PolarHBondContact O-NH2 2.8Å; M621-R694 HydrophobicContact CE-CB 4.39Å; M621-R694 HydrophobicContact CE-CG 4.44Å; M621-R694 HydrophobicContact SD-CB 4.16Å; M621-R694 HydrophobicContact SD-CG 3.65Å; Y628-R694 HydrophobicContact CG-CG 4.25Å; S691-R694 PolarHBondContact O-N 3.01Å; S691-R694 VanDerWaalsContact OG-CB 3.23Å; S691-R694 WeakPolarHBondContact OG-CB 3.27Å; S691-R694 PolarHBondContact OG-N 2.87Å; E692-R694 VanDerWaalsContact C-N 3.34Å; E692-R694 PolarHBondContact O-N 3.24Å; R694-H696 VanDerWaalsContact C-N 3.29Å; R694-H696 PolarHBondContact O-N 2.96Å; R694-V697 PolarHBondContact O-N 3.45Å; R694-L698 HydrophobicContact CG-CD1 4.32Å; R694-L698 WeakPolarHBondContact O-CG 3.46Å; R694-L698 PolarHBondContact O-N 3.31Å; R694-L698 VanDerWaalsContact O-N 3.14Å
695	L	95.2	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-43.1	176.7	179.4	62.7	0	0	0	111.1	I617 M621 S691 E692 V697 L698 V699 L754 V757 I758 L761	I617-L695 HydrophobicContact CD1-CD1 3.49Å; I617-L695 VanDerWaalsContact CD1-CD1 3.49Å; M621-L695 HydrophobicContact CE-CB 4.13Å; M621-L695 HydrophobicContact SD-CB 4.44Å; S691-L695 PolarHBondContact O-N 2.86Å; S691-L695 VanDerWaalsContact O-N 3.16Å; E692-L695 PolarHBondContact O-N 2.99Å; L695-V697 PolarHBondContact O-N 2.88Å; L695-L698 PolarHBondContact O-N 2.83Å; L695-V699 HydrophobicContact CD1-CG2 3.9Å; L695-V699 HydrophobicContact CG-CG2 4.13Å; L695-V699 WeakPolarHBondContact O-CB 3.44Å; L695-V699 VanDerWaalsContact O-CG2 3.27Å; L695-V699 WeakPolarHBondContact O-CG2 3.38Å; L695-V699 PolarHBondContact O-N 3.23Å; L695-L754 HydrophobicContact CD2-CB 4.03Å; L695-L754 HydrophobicContact CD2-CD1 4.22Å; L695-L754 HydrophobicContact CG-CD1 4.01Å; L695-V757 HydrophobicContact CD2-CB 4.23Å; L695-V757 HydrophobicContact CD2-CG1 4.07Å; L695-I758 HydrophobicContact CD2-CD1 4.39Å; L695-I758 HydrophobicContact CD2-CG1 3.56Å; L695-L761 HydrophobicContact CD1-CD1 4.41Å; L695-L761 HydrophobicContact CD2-CD1 4.48Å
696	H	93.3	Very high	92.4	Very high	54 Å²	54	40.4 Å²	40.4	25%	0.25	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-44.9	178.4	-170.3	-63.4	0	0	0	111.9	E692 E693 R694 L698 V699 M700 L754	E692-H696 PolarHBondContact O-N 3.36Å; E693-H696 PolarHBondContact O-N 3.06Å; R694-H696 VanDerWaalsContact C-N 3.29Å; R694-H696 PolarHBondContact O-N 2.96Å; H696-L698 PolarHBondContact O-N 3Å; H696-V699 PolarHBondContact O-N 2.93Å; H696-M700 WeakPolarHBondContact O-CB 3.44Å; H696-M700 VanDerWaalsContact O-CG 3.24Å; H696-M700 WeakPolarHBondContact O-CG 3.43Å; H696-M700 PolarHBondContact O-N 2.95Å; H696-L754 HydrophobicContact CB-CD1 3.94Å
697	V	92.9	Very high	92.1	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-49.7	176.3	173	0	0	0	0	110.8	I363 K366 E693 R694 L695 V699 M700 M701	I363-V697 HydrophobicContact CG2-CG1 3.73Å; K366-V697 HydrophobicContact CD-CG2 4.17Å; K366-V697 HydrophobicContact CG-CG2 3.76Å; E693-V697 PolarHBondContact O-N 3.34Å; R694-V697 PolarHBondContact O-N 3.45Å; L695-V697 PolarHBondContact O-N 2.88Å; V697-V699 PolarHBondContact O-N 3.1Å; V697-M700 PolarHBondContact O-N 3.24Å; V697-M701 HydrophobicContact CG1-SD 3.98Å; V697-M701 WeakPolarHBondContact O-CG 3.47Å; V697-M701 PolarHBondContact O-N 2.91Å; V697-M701 VanDerWaalsContact O-N 3.09Å
698	L	94.3	Very high	91.5	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-36.5	-177	-66.1	177	0	0	0	113.4	I617 K620 M621 R694 L695 H696 A702	I617-L698 HydrophobicContact CB-CD1 3.87Å; I617-L698 HydrophobicContact CG2-CB 3.8Å; I617-L698 HydrophobicContact CG2-CD1 3.83Å; I617-L698 HydrophobicContact CG2-CG 4.46Å; K620-L698 HydrophobicContact CB-CD1 3.76Å; K620-L698 HydrophobicContact CB-CD2 4.14Å; K620-L698 HydrophobicContact CD-CD2 3.87Å; M621-L698 HydrophobicContact CG-CD1 4.16Å; M621-L698 HydrophobicContact SD-CD1 3.67Å; R694-L698 HydrophobicContact CG-CD1 4.32Å; R694-L698 WeakPolarHBondContact O-CG 3.46Å; R694-L698 PolarHBondContact O-N 3.31Å; R694-L698 VanDerWaalsContact O-N 3.14Å; L695-L698 PolarHBondContact O-N 2.83Å; H696-L698 PolarHBondContact O-N 3Å; L698-A702 VanDerWaalsContact O-CB 3.29Å; L698-A702 WeakPolarHBondContact O-CB 3.4Å; L698-A702 PolarHBondContact O-N 2.69Å
699	V	94.9	Very high	91.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-45.3	175.7	166.3	0	0	0	0	110.7	L613 L695 H696 V697 A702 A703 I748 A749 L754	L613-V699 HydrophobicContact CD1-CG2 3.76Å; L613-V699 HydrophobicContact CD2-CG2 4.18Å; L695-V699 HydrophobicContact CD1-CG2 3.9Å; L695-V699 HydrophobicContact CG-CG2 4.13Å; L695-V699 WeakPolarHBondContact O-CB 3.44Å; L695-V699 VanDerWaalsContact O-CG2 3.27Å; L695-V699 WeakPolarHBondContact O-CG2 3.38Å; L695-V699 PolarHBondContact O-N 3.23Å; H696-V699 PolarHBondContact O-N 2.93Å; V697-V699 PolarHBondContact O-N 3.1Å; V699-A702 PolarHBondContact O-N 3.47Å; V699-A703 WeakPolarHBondContact O-CB 3.43Å; V699-A703 PolarHBondContact O-N 3.18Å; V699-I748 HydrophobicContact CG1-CB 4.2Å; V699-I748 HydrophobicContact CG1-CG2 3.72Å; V699-I748 HydrophobicContact CG2-CG2 4.18Å; V699-A749 HydrophobicContact CG1-CB 3.88Å; V699-L754 HydrophobicContact CG2-CD1 4.44Å
700	M	90.9	Very high	90.9	Very high	24 Å²	24	36.5 Å²	36.5	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-48.6	179	-74.2	-65.7	-62.8	0	0	111.3	P317 H696 V697 A703 Q704 A749	P317-M700 HydrophobicContact CB-CE 3.66Å; P317-M700 HydrophobicContact CB-SD 3.99Å; H696-M700 WeakPolarHBondContact O-CB 3.44Å; H696-M700 VanDerWaalsContact O-CG 3.24Å; H696-M700 WeakPolarHBondContact O-CG 3.43Å; H696-M700 PolarHBondContact O-N 2.95Å; V697-M700 PolarHBondContact O-N 3.24Å; M700-A703 PolarHBondContact O-N 3.26Å; M700-Q704 WeakPolarHBondContact O-CB 3.22Å; M700-Q704 PolarHBondContact O-N 2.62Å; M700-A749 HydrophobicContact SD-CB 3.79Å
701	M	90.6	Very high	90.8	Very high	27 Å²	27	31 Å²	31	13%	0.133	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-50.4	176.2	-67	174.6	70.5	0	0	111.1	Y359 I363 S369 D370 V697 A703 Q704 E705	Y359-M701 HydrophobicContact CE2-CE 4.48Å; Y359-M701 HydrophobicContact CE2-SD 4.46Å; I363-M701 HydrophobicContact CG2-SD 4.31Å; S369-M701 WeakPolarHBondContact O-CG 3.49Å; D370-M701 HydrophobicContact CB-CG 4.43Å; D370-M701 WeakPolarHBondContact OD1-CE 3.27Å; V697-M701 HydrophobicContact CG1-SD 3.98Å; V697-M701 WeakPolarHBondContact O-CG 3.47Å; V697-M701 PolarHBondContact O-N 2.91Å; V697-M701 VanDerWaalsContact O-N 3.09Å; M701-A703 VanDerWaalsContact C-N 3.32Å; M701-A703 PolarHBondContact O-N 2.79Å; M701-Q704 PolarHBondContact O-N 3.4Å; M701-Q704 VanDerWaalsContact O-N 3.17Å; M701-E705 WeakPolarHBondContact O-CG 3.42Å; M701-E705 PolarHBondContact O-N 3.03Å
702	A	92.1	Very high	90.6	Very high	12 Å²	12	31.8 Å²	31.8	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-35.2	-178.9	0	0	0	0	0	113.3	L698 V699 L706	L698-A702 VanDerWaalsContact O-CB 3.29Å; L698-A702 WeakPolarHBondContact O-CB 3.4Å; L698-A702 PolarHBondContact O-N 2.69Å; V699-A702 PolarHBondContact O-N 3.47Å; A702-L706 WeakPolarHBondContact O-CB 3.36Å; A702-L706 VanDerWaalsContact O-CG 3.31Å; A702-L706 WeakPolarHBondContact O-CG 3.16Å; A702-L706 PolarHBondContact O-N 3.19Å
703	A	92.1	Very high	90.6	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-40.6	175.3	0	0	0	0	0	111.6	P317 V699 M700 M701 A707 L745 A749	P317-A703 HydrophobicContact CB-CB 4.35Å; P317-A703 HydrophobicContact CG-CB 3.91Å; V699-A703 WeakPolarHBondContact O-CB 3.43Å; V699-A703 PolarHBondContact O-N 3.18Å; M700-A703 PolarHBondContact O-N 3.26Å; M701-A703 VanDerWaalsContact C-N 3.32Å; M701-A703 PolarHBondContact O-N 2.79Å; A703-A707 PolarHBondContact O-N 2.72Å; A703-L745 HydrophobicContact CB-CB 4.41Å; A703-A749 HydrophobicContact CB-CB 3.82Å
704	Q	87.8	Confident	90.7	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-49.5	176.5	-170.2	66.7	62.7	0	0	111.6	P317 S369 Q391 M700 M701 L706 A707 N708	P317-Q704 VanDerWaalsContact CD-OE1 3.26Å; P317-Q704 HydrophobicContact CG-CB 4.15Å; S369-Q704 PolarHBondContact OG-OE1 2.66Å; Q391-Q704 HydrophobicContact CG-CG 4.43Å; M700-Q704 WeakPolarHBondContact O-CB 3.22Å; M700-Q704 PolarHBondContact O-N 2.62Å; M701-Q704 PolarHBondContact O-N 3.4Å; M701-Q704 VanDerWaalsContact O-N 3.17Å; Q704-L706 VanDerWaalsContact C-N 3.27Å; Q704-L706 PolarHBondContact O-N 3.4Å; Q704-A707 PolarHBondContact O-N 3.4Å; Q704-A707 VanDerWaalsContact O-N 3.12Å; Q704-N708 PolarHBondContact NE2-OD1 2.91Å; Q704-N708 VanDerWaalsContact O-CG 3.29Å; Q704-N708 PolarHBondContact O-N 3.36Å; Q704-N708 PolarHBondContact O-OD1 3.37Å
705	E	87.9	Confident	90.9	Very high	107 Å²	107	25.4 Å²	25.4	50%	0.5	14%	0.142	S	C	.	.	H	α-helix	trans	-55.5	-42.5	177.8	-73.2	173.7	-177.5	0	0	111.6	M701 G709	M701-E705 WeakPolarHBondContact O-CG 3.42Å; M701-E705 PolarHBondContact O-N 3.03Å; E705-G709 PolarHBondContact O-N 3.12Å; E705-G709 VanDerWaalsContact O-N 3.12Å
706	L	90.1	Very high	90.9	Very high	50 Å²	50	29.4 Å²	29.4	26%	0.262	16%	0.162	S	C	.	.	H	α-helix	trans	-70.5	-35	178	-76.6	176.8	0	0	0	113.7	A702 Q704 I710 V742 L745	A702-L706 WeakPolarHBondContact O-CB 3.36Å; A702-L706 VanDerWaalsContact O-CG 3.31Å; A702-L706 WeakPolarHBondContact O-CG 3.16Å; A702-L706 PolarHBondContact O-N 3.19Å; Q704-L706 VanDerWaalsContact C-N 3.27Å; Q704-L706 PolarHBondContact O-N 3.4Å; L706-I710 WeakPolarHBondContact O-CG1 3.49Å; L706-V742 HydrophobicContact CB-CG1 4.39Å; L706-V742 HydrophobicContact CB-CG2 4.25Å; L706-L745 HydrophobicContact CD1-CB 4.41Å; L706-L745 HydrophobicContact CD1-CD1 3.27Å; L706-L745 HydrophobicContact CD1-CG 4.42Å
707	A	88	Confident	91.1	Very high	8 Å²	8	28 Å²	28	7%	0.066	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-48.1	176.5	0	0	0	0	0	110.6	L315 A703 Q704 G709 I710	L315-A707 HydrophobicContact CB-CB 4.18Å; A703-A707 PolarHBondContact O-N 2.72Å; Q704-A707 PolarHBondContact O-N 3.4Å; Q704-A707 VanDerWaalsContact O-N 3.12Å; A707-G709 VanDerWaalsContact C-N 3.3Å; A707-G709 PolarHBondContact O-N 3.02Å; A707-I710 PolarHBondContact O-N 3.18Å
708	N	84.9	Confident	91.3	Very high	31 Å²	31	27.5 Å²	27.5	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-38.6	-179.7	-64.2	-1.4	0	0	0	111.4	E211 Q391 Q704 I710 S711	E211-N708 VanDerWaalsContact CD-ND2 3.31Å; E211-N708 PolarHBondContact OE1-ND2 2.81Å; Q391-N708 PolarHBondContact OE1-ND2 2.94Å; Q704-N708 PolarHBondContact NE2-OD1 2.91Å; Q704-N708 VanDerWaalsContact O-CG 3.29Å; Q704-N708 PolarHBondContact O-N 3.36Å; Q704-N708 PolarHBondContact O-OD1 3.37Å; N708-I710 PolarHBondContact O-N 2.75Å; N708-I710 VanDerWaalsContact O-N 3.17Å; N708-S711 PolarHBondContact O-OG 2.62Å
709	G	86.3	Confident	91.5	Very high	26 Å²	26	27.7 Å²	27.7	27%	0.268	15%	0.152	S	C	.	.	H	α-helix	trans	-69	-8.5	-178.9	0	0	0	0	0	116.5	E705 A707 S713	E705-G709 PolarHBondContact O-N 3.12Å; E705-G709 VanDerWaalsContact O-N 3.12Å; A707-G709 VanDerWaalsContact C-N 3.3Å; A707-G709 PolarHBondContact O-N 3.02Å; G709-S713 WeakPolarHBondContact O-CB 3.41Å; G709-S713 PolarHBondContact O-N 3.07Å
710	I	90.6	Very high	91.6	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-43.6	-176.2	-68.1	165.5	0	0	0	112.2	L315 L706 A707 N708 D712 S713 G714 Y717 M739 V742 M847 F849 L1009	L315-I710 HydrophobicContact CD1-CD1 3.21Å; L706-I710 WeakPolarHBondContact O-CG1 3.49Å; A707-I710 PolarHBondContact O-N 3.18Å; N708-I710 PolarHBondContact O-N 2.75Å; N708-I710 VanDerWaalsContact O-N 3.17Å; I710-D712 VanDerWaalsContact C-N 3.31Å; I710-D712 PolarHBondContact O-N 3.35Å; I710-S713 CarbonylContact O-C 3.51Å; I710-S713 PolarHBondContact O-N 3.14Å; I710-G714 WeakPolarHBondContact O-CA 3.46Å; I710-G714 PolarHBondContact O-N 2.91Å; I710-Y717 HydrophobicContact CB-CE2 4.33Å; I710-Y717 HydrophobicContact CG1-CD2 4.27Å; I710-Y717 HydrophobicContact CG1-CE2 3.83Å; I710-Y717 HydrophobicContact CG2-CD2 4.41Å; I710-M739 HydrophobicContact CD1-CE 3.95Å; I710-M739 HydrophobicContact CD1-SD 4.08Å; I710-M739 HydrophobicContact CG1-SD 4.28Å; I710-V742 HydrophobicContact CD1-CG1 4.01Å; I710-V742 HydrophobicContact CD1-CG2 4.48Å; I710-M847 HydrophobicContact CG2-CE 4.09Å; I710-F849 HydrophobicContact CG2-CE2 4.1Å; I710-F849 HydrophobicContact CG2-CZ 3.9Å; I710-L1009 HydrophobicContact CG2-CD2 3.84Å
711	S	86.3	Confident	92	Very high	12 Å²	12	28.6 Å²	28.6	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-179	57.6	0	0	0	0	111	N708 F853	N708-S711 PolarHBondContact O-OG 2.62Å; S711-F853 WeakPolarHBondContact O-CZ 3.24Å
712	D	86.1	Confident	92.3	Very high	59 Å²	59	27.4 Å²	27.4	32%	0.316	15%	0.152	S	C	.	.	H	α-helix	trans	-73.9	-35.5	-179.9	-167.9	68.2	0	0	0	112.9	R212 I710 Y911 R912	R212-D712 IonicContact CZ-OD1 2.74Å; R212-D712 IonicContact NH1-OD1 2.91Å; R212-D712 IonicContact NH2-OD1 3.62Å; R212-D712 PolarHBondContact NH2-OD1 3.42Å; I710-D712 VanDerWaalsContact C-N 3.31Å; I710-D712 PolarHBondContact O-N 3.35Å; D712-Y911 WeakPolarHBondContact O-CE2 3.45Å; D712-Y911 PolarHBondContact O-OH 3.02Å; D712-R912 IonicContact OD1-NH2 3.41Å
713	S	93.4	Very high	92.5	Very high	45 Å²	45	27.2 Å²	27.2	32%	0.315	15%	0.151	S	C	.	.	H	α-helix	trans	-110.6	21.9	-177.2	-72.4	0	0	0	0	114.6	G709 I710 H715 M716 Y717	G709-S713 WeakPolarHBondContact O-CB 3.41Å; G709-S713 PolarHBondContact O-N 3.07Å; I710-S713 CarbonylContact O-C 3.51Å; I710-S713 PolarHBondContact O-N 3.14Å; S713-H715 VanDerWaalsContact C-N 3.29Å; S713-H715 PolarHBondContact O-N 3.49Å; S713-H715 VanDerWaalsContact O-N 3.14Å; S713-M716 WeakPolarHBondContact O-CA 2.95Å; S713-M716 WeakPolarHBondContact O-CB 3.35Å; S713-M716 PolarHBondContact O-N 2.7Å; S713-Y717 WeakPolarHBondContact O-CD2 3.49Å; S713-Y717 PolarHBondContact O-N 2.88Å
714	G	94.3	Very high	92.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.6	-37.4	-170.8	0	0	0	0	0	114.6	I710 M716 Y717 A718	I710-G714 WeakPolarHBondContact O-CA 3.46Å; I710-G714 PolarHBondContact O-N 2.91Å; G714-M716 VanDerWaalsContact C-N 3.33Å; G714-M716 PolarHBondContact O-N 3.45Å; G714-Y717 PolarHBondContact O-N 3.3Å; G714-A718 PolarHBondContact O-N 2.9Å
715	H	95.9	Very high	93.2	Very high	40 Å²	40	30.4 Å²	30.4	19%	0.185	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-32.7	175.4	68.3	-65.4	0	0	0	113.1	S713 A718 M719 F853 Y911	S713-H715 VanDerWaalsContact C-N 3.29Å; S713-H715 PolarHBondContact O-N 3.49Å; S713-H715 VanDerWaalsContact O-N 3.14Å; H715-A718 PolarHBondContact O-N 3.28Å; H715-M719 HydrophobicContact CB-CE 4.41Å; H715-M719 WeakPolarHBondContact O-CB 3.38Å; H715-M719 VanDerWaalsContact O-CE 3.23Å; H715-M719 WeakPolarHBondContact O-CE 3.45Å; H715-M719 WeakPolarHBondContact O-CG 3.43Å; H715-M719 PolarHBondContact O-N 2.98Å; H715-F853 HydrophobicContact CB-CD1 4.36Å; H715-Y911 HydrophobicContact CB-CD2 3.99Å; H715-Y911 AromaticContact CE1-CD2 3.79Å; H715-Y911 AromaticContact CE1-CE2 3.98Å; H715-Y911 AromaticContact CG-CD2 3.65Å; H715-Y911 AromaticContact ND1-CD2 3.08Å; H715-Y911 WeakPolarHBondContact ND1-CD2 3.27Å; H715-Y911 AromaticContact ND1-CE2 3.47Å; H715-Y911 WeakPolarHBondContact ND1-CE2 3.22Å
716	M	96.6	Very high	93.7	Very high	85 Å²	85	25.3 Å²	25.3	42%	0.419	14%	0.14	S	C	.	.	H	α-helix	trans	-71.4	-38.6	175.4	-65.8	-65.7	-69.5	0	0	111.5	S713 G714 M719 T720	S713-M716 WeakPolarHBondContact O-CA 2.95Å; S713-M716 WeakPolarHBondContact O-CB 3.35Å; S713-M716 PolarHBondContact O-N 2.7Å; G714-M716 VanDerWaalsContact C-N 3.33Å; G714-M716 PolarHBondContact O-N 3.45Å; M716-M719 HydrophobicContact CG-CE 4.28Å; M716-M719 PolarHBondContact O-N 2.81Å; M716-M719 HydrophobicContact SD-CE 3.39Å; M716-M719 WeakPolarHBondContact SD-CE 3.38Å; M716-T720 WeakPolarHBondContact O-CB 3.21Å; M716-T720 PolarHBondContact O-N 3.11Å; M716-T720 PolarHBondContact O-OG1 2.91Å
717	Y	97.3	Very high	94	Very high	23 Å²	23	23 Å²	23	9%	0.09	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-42.6	170.6	-73.9	-71.7	0	0	0	111.8	I710 S713 G714 T720 R721 M739 V742	I710-Y717 HydrophobicContact CB-CE2 4.33Å; I710-Y717 HydrophobicContact CG1-CD2 4.27Å; I710-Y717 HydrophobicContact CG1-CE2 3.83Å; I710-Y717 HydrophobicContact CG2-CD2 4.41Å; S713-Y717 WeakPolarHBondContact O-CD2 3.49Å; S713-Y717 PolarHBondContact O-N 2.88Å; G714-Y717 PolarHBondContact O-N 3.3Å; Y717-T720 PolarHBondContact O-N 3.19Å; Y717-R721 WeakPolarHBondContact O-CB 3.23Å; Y717-R721 PolarHBondContact O-N 3.47Å; Y717-M739 HydrophobicContact CD1-CG 3.96Å; Y717-M739 HydrophobicContact CD1-SD 3.67Å; Y717-M739 HydrophobicContact CE1-SD 4.2Å; Y717-M739 HydrophobicContact CG-CG 4.33Å; Y717-M739 HydrophobicContact CG-SD 3.87Å; Y717-V742 HydrophobicContact CE1-CG2 3.89Å
718	A	97.8	Very high	94.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-50.3	174.4	0	0	0	0	0	111.5	G714 H715 T720 R721 A722 A1007 L1009	G714-A718 PolarHBondContact O-N 2.9Å; H715-A718 PolarHBondContact O-N 3.28Å; A718-T720 PolarHBondContact O-N 2.72Å; A718-R721 PolarHBondContact O-N 3.25Å; A718-A722 VanDerWaalsContact O-CB 3.25Å; A718-A722 WeakPolarHBondContact O-CB 3.26Å; A718-A722 PolarHBondContact O-N 3.01Å; A718-A1007 HydrophobicContact CB-CB 4.36Å; A718-A1007 VanDerWaalsContact O-CB 3.29Å; A718-A1007 WeakPolarHBondContact O-CB 3.42Å; A718-L1009 HydrophobicContact CB-CD1 3.88Å
719	M	97.7	Very high	95	Very high	13 Å²	13	21.6 Å²	21.6	6%	0.064	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-41.8	178	-78.7	-178.5	-73.9	0	0	112.6	H715 M716 A722 G723 S855 K899 Y909	H715-M719 HydrophobicContact CB-CE 4.41Å; H715-M719 WeakPolarHBondContact O-CB 3.38Å; H715-M719 VanDerWaalsContact O-CE 3.23Å; H715-M719 WeakPolarHBondContact O-CE 3.45Å; H715-M719 WeakPolarHBondContact O-CG 3.43Å; H715-M719 PolarHBondContact O-N 2.98Å; M716-M719 HydrophobicContact CG-CE 4.28Å; M716-M719 PolarHBondContact O-N 2.81Å; M716-M719 HydrophobicContact SD-CE 3.39Å; M716-M719 WeakPolarHBondContact SD-CE 3.38Å; M719-A722 PolarHBondContact O-N 3.32Å; M719-G723 PolarHBondContact O-N 2.84Å; M719-S855 WeakPolarHBondContact CG-OG 3.39Å; M719-K899 VanDerWaalsContact CE-NZ 3.27Å; M719-K899 HydrophobicContact SD-CD 4.14Å; M719-K899 WeakPolarHBondContact SD-CE 3.29Å; M719-K899 PolarHBondContact SD-NZ 3.02Å; M719-Y909 HydrophobicContact CE-CG 4.35Å; M719-Y909 HydrophobicContact SD-CD1 4.16Å; M719-Y909 HydrophobicContact SD-CG 4.2Å
720	T	97.3	Very high	95.5	Very high	27 Å²	27	21 Å²	21	17%	0.166	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-46.5	178.2	-58.1	0	0	0	0	110.7	M716 Y717 A718 G723 R724 Q733 E734	M716-T720 WeakPolarHBondContact O-CB 3.21Å; M716-T720 PolarHBondContact O-N 3.11Å; M716-T720 PolarHBondContact O-OG1 2.91Å; Y717-T720 PolarHBondContact O-N 3.19Å; A718-T720 PolarHBondContact O-N 2.72Å; T720-G723 PolarHBondContact O-N 3.42Å; T720-R724 PolarHBondContact O-N 3.34Å; T720-R724 VanDerWaalsContact O-N 3.08Å; T720-Q733 HydrophobicContact CG2-CG 4.13Å; T720-E734 HydrophobicContact CG2-CB 4.23Å
721	R	97.9	Very high	95.8	Very high	16 Å²	16	24.8 Å²	24.8	6%	0.06	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-43.8	177.1	177.9	56.1	61.3	126.8	0.5	112.3	Y717 A718 G723 R724 E734 E740 T843 F845 A1007	Y717-R721 WeakPolarHBondContact O-CB 3.23Å; Y717-R721 PolarHBondContact O-N 3.47Å; A718-R721 PolarHBondContact O-N 3.25Å; R721-G723 VanDerWaalsContact C-N 3.29Å; R721-G723 PolarHBondContact O-N 3.35Å; R721-R724 VanDerWaalsContact O-CB 3.29Å; R721-R724 WeakPolarHBondContact O-CB 3.5Å; R721-R724 PolarHBondContact O-N 2.88Å; R721-E734 WeakPolarHBondContact CA-OE2 3.32Å; R721-E734 IonicContact CZ-OE1 3.23Å; R721-E734 VanDerWaalsContact CZ-OE1 3.31Å; R721-E734 PolarHBondContact N-OE2 3.27Å; R721-E734 IonicContact NE-OE1 3.33Å; R721-E734 PolarHBondContact NE-OE1 3.15Å; R721-E734 IonicContact NE-OE2 3.17Å; R721-E734 PolarHBondContact NE-OE2 3.26Å; R721-E734 IonicContact NH2-OE1 3.29Å; R721-E734 PolarHBondContact NH2-OE1 3.3Å; R721-E740 IonicContact NH2-OE1 3.19Å; R721-T843 HydrophobicContact CG-CG2 4.22Å; R721-F845 HydrophobicContact CB-CE2 4.07Å; R721-F845 HydrophobicContact CG-CE2 3.74Å; R721-F845 HydrophobicContact CG-CZ 4.03Å; R721-A1007 HydrophobicContact CB-CB 3.8Å; R721-A1007 HydrophobicContact CG-CB 3.79Å
722	A	97.9	Very high	96.3	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-36.7	177.8	0	0	0	0	0	111.8	A718 M719 G1005 A1007	A718-A722 VanDerWaalsContact O-CB 3.25Å; A718-A722 WeakPolarHBondContact O-CB 3.26Å; A718-A722 PolarHBondContact O-N 3.01Å; M719-A722 PolarHBondContact O-N 3.32Å; A722-G1005 WeakPolarHBondContact O-CA 3.5Å; A722-A1007 HydrophobicContact CB-CB 4.16Å
723	G	97	Very high	96.8	Very high	8 Å²	8	25.7 Å²	25.7	8%	0.082	13%	0.132	C	C	.	.	H	α-helix	trans	-79.8	-14.2	178.2	0	0	0	0	0	115.4	M719 T720 R721 H725 L726	M719-G723 PolarHBondContact O-N 2.84Å; T720-G723 PolarHBondContact O-N 3.42Å; R721-G723 VanDerWaalsContact C-N 3.29Å; R721-G723 PolarHBondContact O-N 3.35Å; G723-H725 PolarHBondContact O-N 3.1Å; G723-L726 WeakPolarHBondContact O-CB 3.49Å; G723-L726 PolarHBondContact O-N 3.23Å; G723-L726 VanDerWaalsContact O-N 3.11Å
724	R	97	Very high	96.9	Very high	36 Å²	36	23.5 Å²	23.5	14%	0.136	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-50.5	-51.8	-171.4	-177.2	-164.4	177.8	158.7	11.6	113.6	T720 R721 L726 G730 E731 E734 E740	T720-R724 PolarHBondContact O-N 3.34Å; T720-R724 VanDerWaalsContact O-N 3.08Å; R721-R724 VanDerWaalsContact O-CB 3.29Å; R721-R724 WeakPolarHBondContact O-CB 3.5Å; R721-R724 PolarHBondContact O-N 2.88Å; R724-L726 VanDerWaalsContact C-N 3.29Å; R724-L726 PolarHBondContact O-N 2.88Å; R724-G730 CarbonylContact O-C 3.54Å; R724-E731 PolarHBondContact O-N 2.99Å; R724-E731 VanDerWaalsContact O-N 3.07Å; R724-E734 HydrophobicContact CB-CB 4.23Å; R724-E734 HydrophobicContact CG-CB 3.84Å; R724-E734 HydrophobicContact CG-CG 4.14Å; R724-E740 IonicContact CZ-OE1 2.55Å; R724-E740 IonicContact CZ-OE2 2.76Å; R724-E740 VanDerWaalsContact NH1-CD 3.3Å; R724-E740 IonicContact NH1-OE1 3.85Å; R724-E740 PolarHBondContact NH1-OE1 2.89Å; R724-E740 IonicContact NH1-OE2 3.36Å; R724-E740 IonicContact NH2-OE1 2.87Å; R724-E740 PolarHBondContact NH2-OE1 3.21Å; R724-E740 IonicContact NH2-OE2 2.77Å; R724-E740 PolarHBondContact NH2-OE2 3.23Å
725	H	96.9	Very high	97.1	Very high	48 Å²	48	24.8 Å²	24.8	22%	0.222	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-90.8	9.1	-173	-62.9	-64.9	0	0	0	113.5	G723 P838 C839	G723-H725 PolarHBondContact O-N 3.1Å; H725-P838 WeakPolarHBondContact O-CA 3.37Å; H725-C839 WeakPolarHBondContact CB-O 3.39Å; H725-C839 VanDerWaalsContact CB-SG 3.57Å; H725-C839 PolarHBondContact O-N 3.29Å; H725-C839 VanDerWaalsContact O-N 3.17Å
726	L	97.7	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-94.1	-25.3	-177.4	-57.7	-175.4	0	0	0	112.7	G723 R724 S857 R859 V905 T1003	G723-L726 WeakPolarHBondContact O-CB 3.49Å; G723-L726 PolarHBondContact O-N 3.23Å; G723-L726 VanDerWaalsContact O-N 3.11Å; R724-L726 VanDerWaalsContact C-N 3.29Å; R724-L726 PolarHBondContact O-N 2.88Å; L726-S857 WeakPolarHBondContact CD1-O 3.08Å; L726-R859 HydrophobicContact CB-CB 4.26Å; L726-R859 WeakPolarHBondContact O-CD 3.47Å; L726-R859 PolarHBondContact O-NH1 3.4Å; L726-V905 HydrophobicContact CD1-CG1 3.98Å; L726-T1003 HydrophobicContact CD2-CG2 3.9Å
727	T	97.4	Very high	97	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	12%	0.115	C	C	.	.			trans	-149.7	154.3	178	61.1	0	0	0	0	110.2	M655 A729 G730 E731 V905	M655-T727 HydrophobicContact CE-CG2 3.92Å; T727-A729 PolarHBondContact O-N 3.46Å; T727-G730 PolarHBondContact O-N 3.03Å; T727-G730 PolarHBondContact OG1-N 3.44Å; T727-E731 PolarHBondContact O-N 3.35Å; T727-V905 HydrophobicContact CG2-CG2 4.13Å
728	P	96.5	Very high	96.9	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.013	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-35.5	171.1	-24	32.9	0	0	0	113.2	D656 F658 E731 L732 E833 F836	D656-P728 HydrophobicContact CB-CG 4.11Å; D656-P728 WeakPolarHBondContact OD1-CD 3.37Å; F658-P728 HydrophobicContact CD1-CB 3.95Å; F658-P728 HydrophobicContact CE1-CB 3.55Å; P728-E731 PolarHBondContact O-N 2.96Å; P728-L732 PolarHBondContact O-N 3.05Å; P728-E833 HydrophobicContact CB-CG 4.41Å; P728-E833 HydrophobicContact CG-CB 3.91Å; P728-E833 HydrophobicContact CG-CG 4.27Å; P728-F836 HydrophobicContact CB-CD2 4.43Å; P728-F836 HydrophobicContact CG-CB 3.94Å; P728-F836 HydrophobicContact CG-CD1 4.21Å; P728-F836 HydrophobicContact CG-CD2 3.66Å; P728-F836 HydrophobicContact CG-CE2 4.19Å; P728-F836 HydrophobicContact CG-CG 3.66Å
729	A	96.6	Very high	96.8	Very high	6 Å²	6	19.9 Å²	19.9	5%	0.05	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-39.8	175	0	0	0	0	0	111.9	V648 P650 F658 T727 E731 L732 Q733	V648-A729 HydrophobicContact CG1-CB 3.78Å; P650-A729 HydrophobicContact CG-CB 4.38Å; F658-A729 HydrophobicContact CB-CB 4.03Å; F658-A729 HydrophobicContact CG-CB 4.22Å; T727-A729 PolarHBondContact O-N 3.46Å; A729-E731 VanDerWaalsContact C-N 3.34Å; A729-E731 PolarHBondContact O-N 3Å; A729-L732 PolarHBondContact O-N 3.3Å; A729-Q733 WeakPolarHBondContact O-CB 3.24Å; A729-Q733 PolarHBondContact O-N 2.98Å
730	G	96.9	Very high	96.6	Very high	13 Å²	13	22.3 Å²	22.3	13%	0.134	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-39.5	176.7	0	0	0	0	0	112.7	R724 T727 Q733 E734	R724-G730 CarbonylContact O-C 3.54Å; T727-G730 PolarHBondContact O-N 3.03Å; T727-G730 PolarHBondContact OG1-N 3.44Å; G730-Q733 PolarHBondContact O-N 3.47Å; G730-E734 PolarHBondContact O-N 3.4Å
731	E	96.4	Very high	96.5	Very high	82 Å²	82	21.2 Å²	21.2	38%	0.383	12%	0.116	S	C	.	.	H	α-helix	trans	-62.4	-45.4	175.9	-176.2	177.9	-168.2	0	0	111.8	R724 T727 P728 A729 Q733 E734 T735	R724-E731 PolarHBondContact O-N 2.99Å; R724-E731 VanDerWaalsContact O-N 3.07Å; T727-E731 PolarHBondContact O-N 3.35Å; P728-E731 PolarHBondContact O-N 2.96Å; A729-E731 VanDerWaalsContact C-N 3.34Å; A729-E731 PolarHBondContact O-N 3Å; E731-Q733 VanDerWaalsContact C-N 3.34Å; E731-E734 PolarHBondContact O-N 2.89Å; E731-T735 PolarHBondContact O-N 3.18Å; E731-T735 VanDerWaalsContact O-N 3.15Å; E731-T735 PolarHBondContact O-OG1 2.81Å
732	L	96.7	Very high	96.4	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-68.8	-34.4	177.2	-171	60	0	0	0	112.1	V648 F658 Q660 P728 A729 T735 F736	V648-L732 HydrophobicContact CG1-CB 4.45Å; V648-L732 HydrophobicContact CG1-CD2 4.36Å; V648-L732 HydrophobicContact CG2-CB 4.17Å; V648-L732 HydrophobicContact CG2-CD2 3.83Å; V648-L732 HydrophobicContact CG2-CG 3.79Å; F658-L732 HydrophobicContact CD2-CD2 4.42Å; F658-L732 HydrophobicContact CE2-CD2 3.66Å; F658-L732 HydrophobicContact CZ-CD2 4.45Å; Q660-L732 HydrophobicContact CB-CD2 3.72Å; Q660-L732 HydrophobicContact CG-CD2 4.49Å; P728-L732 PolarHBondContact O-N 3.05Å; A729-L732 PolarHBondContact O-N 3.3Å; L732-T735 WeakPolarHBondContact O-CB 3.4Å; L732-T735 PolarHBondContact O-N 2.91Å; L732-F736 HydrophobicContact CD1-CD1 4.2Å; L732-F736 HydrophobicContact CD1-CD2 4.32Å; L732-F736 HydrophobicContact CD1-CE1 3.72Å; L732-F736 HydrophobicContact CD1-CE2 3.86Å; L732-F736 HydrophobicContact CD1-CG 4.49Å; L732-F736 HydrophobicContact CD1-CZ 3.53Å; L732-F736 HydrophobicContact CD2-CE2 3.81Å; L732-F736 HydrophobicContact CD2-CZ 4.1Å; L732-F736 HydrophobicContact CG-CD2 3.98Å; L732-F736 HydrophobicContact CG-CE1 4.39Å; L732-F736 HydrophobicContact CG-CE2 3.66Å; L732-F736 HydrophobicContact CG-CG 4.49Å; L732-F736 HydrophobicContact CG-CZ 3.89Å; L732-F736 PolarHBondContact O-N 3.46Å
733	Q	96.8	Very high	96.1	Very high	82 Å²	82	23.6 Å²	23.6	38%	0.383	13%	0.126	S	C	.	.	H	α-helix	trans	-64.4	-41.9	176.4	-171.7	62	38.6	0	0	111.8	T720 A729 G730 E731 T735 F736 G737 G738	T720-Q733 HydrophobicContact CG2-CG 4.13Å; A729-Q733 WeakPolarHBondContact O-CB 3.24Å; A729-Q733 PolarHBondContact O-N 2.98Å; G730-Q733 PolarHBondContact O-N 3.47Å; E731-Q733 VanDerWaalsContact C-N 3.34Å; Q733-T735 VanDerWaalsContact C-N 3.29Å; Q733-T735 PolarHBondContact O-N 3.37Å; Q733-F736 PolarHBondContact O-N 2.91Å; Q733-G737 PolarHBondContact O-N 3.21Å; Q733-G738 PolarHBondContact O-N 3.43Å
734	E	97.3	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-40	171.9	176	66.6	-155.8	0	0	111.5	T720 R721 R724 G730 E731 F736 G738 M739 E740	T720-E734 HydrophobicContact CG2-CB 4.23Å; R721-E734 WeakPolarHBondContact CA-OE2 3.32Å; R721-E734 IonicContact CZ-OE1 3.23Å; R721-E734 VanDerWaalsContact CZ-OE1 3.31Å; R721-E734 PolarHBondContact N-OE2 3.27Å; R721-E734 IonicContact NE-OE1 3.33Å; R721-E734 PolarHBondContact NE-OE1 3.15Å; R721-E734 IonicContact NE-OE2 3.17Å; R721-E734 PolarHBondContact NE-OE2 3.26Å; R721-E734 IonicContact NH2-OE1 3.29Å; R721-E734 PolarHBondContact NH2-OE1 3.3Å; R724-E734 HydrophobicContact CB-CB 4.23Å; R724-E734 HydrophobicContact CG-CB 3.84Å; R724-E734 HydrophobicContact CG-CG 4.14Å; G730-E734 PolarHBondContact O-N 3.4Å; E731-E734 PolarHBondContact O-N 2.89Å; E734-F736 VanDerWaalsContact C-N 3.33Å; E734-F736 PolarHBondContact O-N 3.3Å; E734-G738 VanDerWaalsContact O-CA 3.28Å; E734-G738 WeakPolarHBondContact O-CA 3.34Å; E734-G738 PolarHBondContact O-N 2.88Å; E734-M739 PolarHBondContact OE1-N 2.91Å; E734-E740 HydrophobicContact CG-CB 4.32Å; E734-E740 HydrophobicContact CG-CG 3.86Å; E734-E740 WeakPolarHBondContact OE1-CG 3.43Å; E734-E740 PolarHBondContact OE1-N 3.49Å
735	T	97.2	Very high	95.9	Very high	26 Å²	26	22.6 Å²	22.6	16%	0.16	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-37	177.3	-55.5	0	0	0	0	112	V609 E731 L732 Q733 Q741	V609-T735 HydrophobicContact CB-CG2 4.27Å; V609-T735 HydrophobicContact CG2-CG2 4.44Å; E731-T735 PolarHBondContact O-N 3.18Å; E731-T735 VanDerWaalsContact O-N 3.15Å; E731-T735 PolarHBondContact O-OG1 2.81Å; L732-T735 WeakPolarHBondContact O-CB 3.4Å; L732-T735 PolarHBondContact O-N 2.91Å; Q733-T735 VanDerWaalsContact C-N 3.29Å; Q733-T735 PolarHBondContact O-N 3.37Å; T735-Q741 PolarHBondContact O-OE1 3.37Å
736	F	96.5	Very high	95.6	Very high	9 Å²	9	21.9 Å²	21.9	4%	0.039	12%	0.117	C	C	.	.	H	α-helix	trans	-89.3	-27.9	-175.3	-73.8	-12.6	0	0	0	115	L600 R608 V611 P612 T646 V648 L732 Q733 E734	L600-F736 HydrophobicContact CD1-CE2 4.15Å; L600-F736 HydrophobicContact CD1-CZ 3.82Å; R608-F736 HydrophobicContact CB-CE1 4.3Å; R608-F736 WeakPolarHBondContact O-CE1 3.25Å; V611-F736 HydrophobicContact CB-CE1 4.23Å; P612-F736 HydrophobicContact CG-CB 4.15Å; P612-F736 HydrophobicContact CG-CD1 3.82Å; P612-F736 HydrophobicContact CG-CG 4.26Å; P612-F736 WeakPolarHBondContact CG-O 3.43Å; T646-F736 HydrophobicContact CG2-CD1 4.29Å; T646-F736 HydrophobicContact CG2-CD2 3.98Å; T646-F736 HydrophobicContact CG2-CE1 4.45Å; T646-F736 HydrophobicContact CG2-CE2 4.15Å; T646-F736 HydrophobicContact CG2-CG 4.05Å; T646-F736 HydrophobicContact CG2-CZ 4.39Å; V648-F736 HydrophobicContact CG2-CD2 3.59Å; V648-F736 HydrophobicContact CG2-CE2 3.9Å; L732-F736 HydrophobicContact CD1-CD1 4.2Å; L732-F736 HydrophobicContact CD1-CD2 4.32Å; L732-F736 HydrophobicContact CD1-CE1 3.72Å; L732-F736 HydrophobicContact CD1-CE2 3.86Å; L732-F736 HydrophobicContact CD1-CG 4.49Å; L732-F736 HydrophobicContact CD1-CZ 3.53Å; L732-F736 HydrophobicContact CD2-CE2 3.81Å; L732-F736 HydrophobicContact CD2-CZ 4.1Å; L732-F736 HydrophobicContact CG-CD2 3.98Å; L732-F736 HydrophobicContact CG-CE1 4.39Å; L732-F736 HydrophobicContact CG-CE2 3.66Å; L732-F736 HydrophobicContact CG-CG 4.49Å; L732-F736 HydrophobicContact CG-CZ 3.89Å; L732-F736 PolarHBondContact O-N 3.46Å; Q733-F736 PolarHBondContact O-N 2.91Å; E734-F736 VanDerWaalsContact C-N 3.33Å; E734-F736 PolarHBondContact O-N 3.3Å
737	G	94	Very high	95.4	Very high	35 Å²	35	29 Å²	29	36%	0.361	14%	0.144	S	C	.	.	H	α-helix	trans	-152.1	11.5	-173.9	0	0	0	0	0	115.2	Q733	Q733-G737 PolarHBondContact O-N 3.21Å
738	G	95.8	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-90.6	-170.3	174.2	0	0	0	0	0	113.3	Q733 E734 E740 Q741 V742	Q733-G738 PolarHBondContact O-N 3.43Å; E734-G738 VanDerWaalsContact O-CA 3.28Å; E734-G738 WeakPolarHBondContact O-CA 3.34Å; E734-G738 PolarHBondContact O-N 2.88Å; G738-E740 PolarHBondContact O-N 2.85Å; G738-Q741 PolarHBondContact O-N 2.94Å; G738-V742 PolarHBondContact O-N 3.28Å
739	M	94.9	Very high	95	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-24.1	177.9	-69.7	-61.2	-69.1	0	0	112.5	L315 I710 Y717 E734 Q741 V742 K743 F845 L1009	L315-M739 HydrophobicContact CD1-CE 4.13Å; I710-M739 HydrophobicContact CD1-CE 3.95Å; I710-M739 HydrophobicContact CD1-SD 4.08Å; I710-M739 HydrophobicContact CG1-SD 4.28Å; Y717-M739 HydrophobicContact CD1-CG 3.96Å; Y717-M739 HydrophobicContact CD1-SD 3.67Å; Y717-M739 HydrophobicContact CE1-SD 4.2Å; Y717-M739 HydrophobicContact CG-CG 4.33Å; Y717-M739 HydrophobicContact CG-SD 3.87Å; E734-M739 PolarHBondContact OE1-N 2.91Å; M739-Q741 VanDerWaalsContact C-N 3.32Å; M739-V742 PolarHBondContact O-N 3.14Å; M739-K743 WeakPolarHBondContact O-CG 3.31Å; M739-K743 PolarHBondContact O-N 3.14Å; M739-F845 HydrophobicContact CB-CE1 4Å; M739-F845 HydrophobicContact CB-CE2 4.41Å; M739-F845 HydrophobicContact CB-CZ 3.76Å; M739-F845 HydrophobicContact CG-CE1 4.24Å; M739-F845 HydrophobicContact CG-CE2 3.99Å; M739-F845 HydrophobicContact CG-CZ 3.84Å; M739-L1009 HydrophobicContact SD-CD2 4.25Å
740	E	94.1	Very high	94.7	Very high	64 Å²	64	33.2 Å²	33.2	30%	0.299	16%	0.164	S	C	.	.	H	α-helix	trans	-64.2	-37.9	172.4	-63.6	-159.8	151.2	0	0	112.5	R721 R724 E734 G738 F744	R721-E740 IonicContact NH2-OE1 3.19Å; R724-E740 IonicContact CZ-OE1 2.55Å; R724-E740 IonicContact CZ-OE2 2.76Å; R724-E740 VanDerWaalsContact NH1-CD 3.3Å; R724-E740 IonicContact NH1-OE1 3.85Å; R724-E740 PolarHBondContact NH1-OE1 2.89Å; R724-E740 IonicContact NH1-OE2 3.36Å; R724-E740 IonicContact NH2-OE1 2.87Å; R724-E740 PolarHBondContact NH2-OE1 3.21Å; R724-E740 IonicContact NH2-OE2 2.77Å; R724-E740 PolarHBondContact NH2-OE2 3.23Å; E734-E740 HydrophobicContact CG-CB 4.32Å; E734-E740 HydrophobicContact CG-CG 3.86Å; E734-E740 WeakPolarHBondContact OE1-CG 3.43Å; E734-E740 PolarHBondContact OE1-N 3.49Å; G738-E740 PolarHBondContact O-N 2.85Å; E740-F744 WeakPolarHBondContact O-CB 3.5Å; E740-F744 PolarHBondContact O-N 2.67Å
741	Q	95.8	Very high	94.4	Very high	5 Å²	5	36 Å²	36	2%	0.023	17%	0.174	C	C	.	.	H	α-helix	trans	-69.6	-39.3	178.1	-173.1	57.9	17.2	0	0	111.6	V609 P612 T735 G738 M739 F744 L745	V609-Q741 PolarHBondContact O-OE1 3.3Å; P612-Q741 HydrophobicContact CB-CG 4.38Å; P612-Q741 HydrophobicContact CG-CG 4.35Å; T735-Q741 PolarHBondContact O-OE1 3.37Å; G738-Q741 PolarHBondContact O-N 2.94Å; M739-Q741 VanDerWaalsContact C-N 3.32Å; Q741-F744 PolarHBondContact O-N 3.28Å; Q741-L745 HydrophobicContact CG-CD1 4.33Å; Q741-L745 PolarHBondContact O-N 3.48Å
742	V	94.5	Very high	94	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-52.1	174.3	-175.4	0	0	0	0	110.4	L315 L706 I710 Y717 G738 M739 F744 L745 K746	L315-V742 HydrophobicContact CD1-CG1 4.44Å; L706-V742 HydrophobicContact CB-CG1 4.39Å; L706-V742 HydrophobicContact CB-CG2 4.25Å; I710-V742 HydrophobicContact CD1-CG1 4.01Å; I710-V742 HydrophobicContact CD1-CG2 4.48Å; Y717-V742 HydrophobicContact CE1-CG2 3.89Å; G738-V742 PolarHBondContact O-N 3.28Å; M739-V742 PolarHBondContact O-N 3.14Å; V742-F744 PolarHBondContact O-N 2.9Å; V742-L745 PolarHBondContact O-N 3.3Å; V742-K746 WeakPolarHBondContact O-CB 2.93Å; V742-K746 PolarHBondContact O-N 3.27Å
743	K	93.1	Very high	93.8	Very high	66 Å²	66	42 Å²	42	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-31.4	177.7	-70.2	-175.5	179.9	-165.2	0	112.2	M739 R747 K1025	M739-K743 WeakPolarHBondContact O-CG 3.31Å; M739-K743 PolarHBondContact O-N 3.14Å; K743-R747 WeakPolarHBondContact O-CG 3.44Å; K743-R747 PolarHBondContact O-N 2.88Å; K743-R747 PolarHBondContact O-NE 3.04Å; K743-K1025 PolarHBondContact NZ-OXT 3.3Å
744	F	95.1	Very high	93.6	Very high	16 Å²	16	38.2 Å²	38.2	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-50.4	176.3	174.9	-104.6	0	0	0	112.2	V609 Y610 E740 Q741 V742 K746 R747 I748	V609-F744 HydrophobicContact CB-CE1 4.47Å; V609-F744 HydrophobicContact CB-CE2 4.4Å; V609-F744 HydrophobicContact CB-CZ 4.26Å; V609-F744 HydrophobicContact CG1-CD2 4.38Å; V609-F744 HydrophobicContact CG1-CE1 4.3Å; V609-F744 HydrophobicContact CG1-CE2 3.73Å; V609-F744 HydrophobicContact CG1-CZ 3.64Å; V609-F744 HydrophobicContact CG2-CB 4.13Å; V609-F744 HydrophobicContact CG2-CD1 3.69Å; V609-F744 HydrophobicContact CG2-CD2 3.65Å; V609-F744 HydrophobicContact CG2-CE1 3.85Å; V609-F744 HydrophobicContact CG2-CE2 3.82Å; V609-F744 HydrophobicContact CG2-CG 3.54Å; V609-F744 HydrophobicContact CG2-CZ 3.88Å; V609-F744 WeakPolarHBondContact O-CE1 3.44Å; Y610-F744 HydrophobicContact CD1-CE1 4.17Å; Y610-F744 AromaticContact CD1-CZ 3.59Å; Y610-F744 HydrophobicContact CD1-CZ 3.59Å; Y610-F744 HydrophobicContact CD2-CZ 4.04Å; Y610-F744 HydrophobicContact CE1-CE1 4.41Å; Y610-F744 HydrophobicContact CE1-CE2 4.2Å; Y610-F744 AromaticContact CE1-CZ 3.48Å; Y610-F744 HydrophobicContact CE1-CZ 3.48Å; Y610-F744 VanDerWaalsContact CE1-CZ 3.48Å; Y610-F744 HydrophobicContact CE2-CE2 4.32Å; Y610-F744 AromaticContact CE2-CZ 3.93Å; Y610-F744 HydrophobicContact CE2-CZ 3.93Å; Y610-F744 HydrophobicContact CG-CE1 4.42Å; Y610-F744 AromaticContact CG-CZ 3.86Å; Y610-F744 HydrophobicContact CG-CZ 3.86Å; Y610-F744 AromaticContact CZ-CE2 3.99Å; Y610-F744 AromaticContact CZ-CZ 3.64Å; E740-F744 WeakPolarHBondContact O-CB 3.5Å; E740-F744 PolarHBondContact O-N 2.67Å; Q741-F744 PolarHBondContact O-N 3.28Å; V742-F744 PolarHBondContact O-N 2.9Å; F744-K746 VanDerWaalsContact C-N 3.34Å; F744-K746 PolarHBondContact O-N 3.38Å; F744-R747 PolarHBondContact O-N 3.24Å; F744-I748 HydrophobicContact CD1-CD1 4.03Å; F744-I748 HydrophobicContact CE1-CD1 3.36Å; F744-I748 HydrophobicContact CE1-CG1 4.33Å; F744-I748 HydrophobicContact CE2-CD1 4.05Å; F744-I748 HydrophobicContact CE2-CG1 4.43Å; F744-I748 HydrophobicContact CZ-CD1 3.4Å; F744-I748 VanDerWaalsContact CZ-CD1 3.4Å; F744-I748 HydrophobicContact CZ-CG1 4.25Å; F744-I748 PolarHBondContact O-N 2.95Å
745	L	94	Very high	93.4	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-37.9	179.3	-83.8	170.2	0	0	0	112.3	L613 A703 L706 Q741 V742 R747 I748 A749	L613-L745 HydrophobicContact CB-CD2 4.07Å; L613-L745 HydrophobicContact CD1-CD2 3.88Å; L613-L745 HydrophobicContact CD2-CD2 4.25Å; L613-L745 HydrophobicContact CG-CD2 4.27Å; A703-L745 HydrophobicContact CB-CB 4.41Å; L706-L745 HydrophobicContact CD1-CB 4.41Å; L706-L745 HydrophobicContact CD1-CD1 3.27Å; L706-L745 HydrophobicContact CD1-CG 4.42Å; Q741-L745 HydrophobicContact CG-CD1 4.33Å; Q741-L745 PolarHBondContact O-N 3.48Å; V742-L745 PolarHBondContact O-N 3.3Å; L745-R747 VanDerWaalsContact C-N 3.35Å; L745-R747 PolarHBondContact O-N 3.01Å; L745-I748 PolarHBondContact O-N 2.81Å; L745-I748 VanDerWaalsContact O-N 3.15Å; L745-A749 WeakPolarHBondContact O-CB 3.47Å; L745-A749 PolarHBondContact O-N 2.61Å
746	K	91.2	Very high	93.1	Very high	33 Å²	33	45.5 Å²	45.5	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-54.1	-50.8	170.3	-171	-169.1	-173.4	-159.7	0	111.6	A314 L315 A316 V742 F744 I748 A749 E750	A314-K746 PolarHBondContact O-NZ 3.06Å; L315-K746 VanDerWaalsContact C-CE 3.48Å; L315-K746 HydrophobicContact CD2-CD 4.31Å; L315-K746 WeakPolarHBondContact O-CD 3.14Å; L315-K746 WeakPolarHBondContact O-CE 3.43Å; A316-K746 WeakPolarHBondContact O-CE 3.31Å; V742-K746 WeakPolarHBondContact O-CB 2.93Å; V742-K746 PolarHBondContact O-N 3.27Å; F744-K746 VanDerWaalsContact C-N 3.34Å; F744-K746 PolarHBondContact O-N 3.38Å; K746-I748 VanDerWaalsContact C-N 3.27Å; K746-I748 PolarHBondContact O-N 2.98Å; K746-A749 WeakPolarHBondContact O-CB 3.39Å; K746-A749 PolarHBondContact O-N 3.44Å; K746-A749 VanDerWaalsContact O-N 3.08Å; K746-E750 WeakPolarHBondContact CE-OE1 3.33Å; K746-E750 IonicContact NZ-OE1 3.7Å; K746-E750 PolarHBondContact NZ-OE1 2.83Å; K746-E750 WeakPolarHBondContact O-CG 3.43Å; K746-E750 PolarHBondContact O-N 3Å
747	R	92.8	Very high	93	Very high	149 Å²	149	45.2 Å²	45.2	56%	0.562	23%	0.233	S	C	*	.	H	α-helix	trans	-61.9	-33.3	178.3	-76.1	-176.4	-62.2	174.3	3	113.2	K743 F744 L745 M751	K743-R747 WeakPolarHBondContact O-CG 3.44Å; K743-R747 PolarHBondContact O-N 2.88Å; K743-R747 PolarHBondContact O-NE 3.04Å; F744-R747 PolarHBondContact O-N 3.24Å; L745-R747 VanDerWaalsContact C-N 3.35Å; L745-R747 PolarHBondContact O-N 3.01Å; R747-M751 WeakPolarHBondContact O-CG 3.47Å
748	I	94.6	Very high	93	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-69.7	-42.9	173.9	-64.4	-175.3	0	0	0	110.1	Y610 L613 V699 F744 L745 K746 E750 M751 L754 V757	Y610-I748 HydrophobicContact CD1-CD1 4.22Å; Y610-I748 HydrophobicContact CE1-CD1 3.97Å; L613-I748 HydrophobicContact CD2-CD1 3.9Å; V699-I748 HydrophobicContact CG1-CB 4.2Å; V699-I748 HydrophobicContact CG1-CG2 3.72Å; V699-I748 HydrophobicContact CG2-CG2 4.18Å; F744-I748 HydrophobicContact CD1-CD1 4.03Å; F744-I748 HydrophobicContact CE1-CD1 3.36Å; F744-I748 HydrophobicContact CE1-CG1 4.33Å; F744-I748 HydrophobicContact CE2-CD1 4.05Å; F744-I748 HydrophobicContact CE2-CG1 4.43Å; F744-I748 HydrophobicContact CZ-CD1 3.4Å; F744-I748 VanDerWaalsContact CZ-CD1 3.4Å; F744-I748 HydrophobicContact CZ-CG1 4.25Å; F744-I748 PolarHBondContact O-N 2.95Å; L745-I748 PolarHBondContact O-N 2.81Å; L745-I748 VanDerWaalsContact O-N 3.15Å; K746-I748 VanDerWaalsContact C-N 3.27Å; K746-I748 PolarHBondContact O-N 2.98Å; I748-E750 PolarHBondContact O-N 3.3Å; I748-M751 WeakPolarHBondContact O-CB 3.41Å; I748-M751 PolarHBondContact O-N 3.31Å; I748-L754 HydrophobicContact CG2-CD2 3.71Å; I748-L754 WeakPolarHBondContact O-CD2 3.14Å; I748-V757 HydrophobicContact CD1-CG2 4.43Å; I748-V757 HydrophobicContact CG2-CG2 4.02Å
749	A	91.8	Very high	92.9	Very high	8 Å²	8	53.7 Å²	53.7	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-32.8	178.5	0	0	0	0	0	112.7	P317 V699 M700 A703 L745 K746 M751	P317-A749 HydrophobicContact CB-CB 3.97Å; V699-A749 HydrophobicContact CG1-CB 3.88Å; M700-A749 HydrophobicContact SD-CB 3.79Å; A703-A749 HydrophobicContact CB-CB 3.82Å; L745-A749 WeakPolarHBondContact O-CB 3.47Å; L745-A749 PolarHBondContact O-N 2.61Å; K746-A749 WeakPolarHBondContact O-CB 3.39Å; K746-A749 PolarHBondContact O-N 3.44Å; K746-A749 VanDerWaalsContact O-N 3.08Å; A749-M751 VanDerWaalsContact C-N 3.27Å; A749-M751 PolarHBondContact O-N 2.93Å
750	E	89.3	Confident	92.9	Very high	90 Å²	90	54.3 Å²	54.3	42%	0.421	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.7	175.3	-69.2	171	170.2	0	0	113.7	P317 K746 I748	P317-E750 WeakPolarHBondContact O-CG 3.27Å; K746-E750 WeakPolarHBondContact CE-OE1 3.33Å; K746-E750 IonicContact NZ-OE1 3.7Å; K746-E750 PolarHBondContact NZ-OE1 2.83Å; K746-E750 WeakPolarHBondContact O-CG 3.43Å; K746-E750 PolarHBondContact O-N 3Å; I748-E750 PolarHBondContact O-N 3.3Å
751	M	91.5	Very high	93	Very high	71 Å²	71	51.3 Å²	51.3	35%	0.35	25%	0.246	S	C	.	.			trans	-75.8	128.6	-179.2	-70.6	177.5	-178.8	0	0	111.2	R747 I748 A749 D753 L754	R747-M751 WeakPolarHBondContact O-CG 3.47Å; I748-M751 WeakPolarHBondContact O-CB 3.41Å; I748-M751 PolarHBondContact O-N 3.31Å; A749-M751 VanDerWaalsContact C-N 3.27Å; A749-M751 PolarHBondContact O-N 2.93Å; M751-D753 PolarHBondContact O-N 3.01Å; M751-L754 HydrophobicContact CB-CD2 3.85Å
752	P	87.3	Confident	93	Very high	135 Å²	135	53.2 Å²	53.2	88%	0.877	26%	0.259	S	S	*	.	S	Bend	trans	-73	-16.9	175.9	30.1	-35.7	0	0	0	113.5
753	D	91.8	Very high	93.1	Very high	82 Å²	82	58 Å²	58	44%	0.439	28%	0.277	S	S	.	.			trans	-135.8	121	-178.7	171.1	20.2	0	0	0	109.3	E692 M751 S755	E692-D753 VanDerWaalsContact OE1-OD1 3.14Å; M751-D753 PolarHBondContact O-N 3.01Å; D753-S755 WeakPolarHBondContact OD1-CA 3.27Å; D753-S755 WeakPolarHBondContact OD1-CB 3.27Å; D753-S755 PolarHBondContact OD1-N 3.39Å; D753-S755 PolarHBondContact OD1-OG 3.15Å
754	L	94	Very high	93.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	26%	0.263	C	S	.	.			trans	-102.3	8.6	-179.8	-60.1	-177.8	0	0	0	112.6	E692 L695 H696 V699 I748 M751 Q756 V757 I758	E692-L754 HydrophobicContact CG-CB 4.26Å; E692-L754 PolarHBondContact OE1-N 2.86Å; L695-L754 HydrophobicContact CD2-CB 4.03Å; L695-L754 HydrophobicContact CD2-CD1 4.22Å; L695-L754 HydrophobicContact CG-CD1 4.01Å; H696-L754 HydrophobicContact CB-CD1 3.94Å; V699-L754 HydrophobicContact CG2-CD1 4.44Å; I748-L754 HydrophobicContact CG2-CD2 3.71Å; I748-L754 WeakPolarHBondContact O-CD2 3.14Å; M751-L754 HydrophobicContact CB-CD2 3.85Å; L754-Q756 PolarHBondContact O-N 2.68Å; L754-Q756 VanDerWaalsContact O-N 3.09Å; L754-V757 HydrophobicContact CD2-CG2 4.25Å; L754-V757 WeakPolarHBondContact O-CA 3.45Å; L754-V757 WeakPolarHBondContact O-CB 3.4Å; L754-V757 PolarHBondContact O-N 2.93Å; L754-I758 PolarHBondContact O-N 3.1Å
755	S	92.4	Very high	93.2	Very high	34 Å²	34	56.2 Å²	56.2	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-50.8	-36.8	177.5	-69.9	0	0	0	0	113.3	D753 R759	D753-S755 WeakPolarHBondContact OD1-CA 3.27Å; D753-S755 WeakPolarHBondContact OD1-CB 3.27Å; D753-S755 PolarHBondContact OD1-N 3.39Å; D753-S755 PolarHBondContact OD1-OG 3.15Å; S755-R759 VanDerWaalsContact O-CG 3.27Å; S755-R759 WeakPolarHBondContact O-CG 3.32Å; S755-R759 PolarHBondContact O-N 3.23Å; S755-R759 VanDerWaalsContact O-N 3.14Å
756	Q	91.1	Very high	93.2	Very high	144 Å²	144	61.8 Å²	61.8	67%	0.673	29%	0.293	S	S	*	.	H	α-helix	trans	-68.3	-41.4	177	-65.1	-168.5	8.8	0	0	112	L754 R759 V760	L754-Q756 PolarHBondContact O-N 2.68Å; L754-Q756 VanDerWaalsContact O-N 3.09Å; Q756-R759 PolarHBondContact O-N 2.92Å; Q756-V760 WeakPolarHBondContact O-CG2 3.19Å; Q756-V760 PolarHBondContact O-N 2.65Å
757	V	94.1	Very high	93.3	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-44	177.5	-175.1	0	0	0	0	110	Y610 L613 L695 I748 L754 R759 V760 L761	Y610-V757 HydrophobicContact CD1-CG1 4.41Å; Y610-V757 HydrophobicContact CE1-CG2 4.37Å; L613-V757 HydrophobicContact CD2-CG1 3.83Å; L695-V757 HydrophobicContact CD2-CB 4.23Å; L695-V757 HydrophobicContact CD2-CG1 4.07Å; I748-V757 HydrophobicContact CD1-CG2 4.43Å; I748-V757 HydrophobicContact CG2-CG2 4.02Å; L754-V757 HydrophobicContact CD2-CG2 4.25Å; L754-V757 WeakPolarHBondContact O-CA 3.45Å; L754-V757 WeakPolarHBondContact O-CB 3.4Å; L754-V757 PolarHBondContact O-N 2.93Å; V757-R759 VanDerWaalsContact C-N 3.28Å; V757-R759 PolarHBondContact O-N 3.32Å; V757-V760 WeakPolarHBondContact O-CA 3.46Å; V757-V760 VanDerWaalsContact O-CB 3.32Å; V757-V760 WeakPolarHBondContact O-CB 3.45Å; V757-V760 PolarHBondContact O-N 2.85Å; V757-L761 PolarHBondContact O-N 2.94Å
758	I	93.8	Very high	93.3	Very high	28 Å²	28	54.8 Å²	54.8	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-53.2	-45.6	173.4	-75.4	173.2	0	0	0	111.4	F689 E692 L695 L754 V760 L761 P762	F689-I758 WeakPolarHBondContact O-CG2 3.33Å; E692-I758 HydrophobicContact CB-CD1 3.52Å; E692-I758 HydrophobicContact CG-CD1 3.89Å; L695-I758 HydrophobicContact CD2-CD1 4.39Å; L695-I758 HydrophobicContact CD2-CG1 3.56Å; L754-I758 PolarHBondContact O-N 3.1Å; I758-V760 PolarHBondContact O-N 3.36Å; I758-L761 PolarHBondContact O-N 2.83Å; I758-P762 WeakPolarHBondContact O-CD 3.2Å
759	R	93.8	Very high	93.1	Very high	185 Å²	185	55.3 Å²	55.3	70%	0.698	27%	0.27	S	S	*	.	H	α-helix	trans	-66.1	-21.3	178.9	-69.6	170.5	-169.5	-174	5.7	113.3	S755 Q756 V757	S755-R759 VanDerWaalsContact O-CG 3.27Å; S755-R759 WeakPolarHBondContact O-CG 3.32Å; S755-R759 PolarHBondContact O-N 3.23Å; S755-R759 VanDerWaalsContact O-N 3.14Å; Q756-R759 PolarHBondContact O-N 2.92Å; V757-R759 VanDerWaalsContact C-N 3.28Å; V757-R759 PolarHBondContact O-N 3.32Å
760	V	95.8	Very high	92.9	Very high	15 Å²	15	55 Å²	55	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-78.3	-36.9	176.6	167.4	0	0	0	0	111.9	L607 Y610 Q756 V757 I758 R763 I764	L607-V760 HydrophobicContact CD2-CG1 3.68Å; L607-V760 HydrophobicContact CD2-CG2 4.3Å; Y610-V760 HydrophobicContact CD1-CG1 4.16Å; Y610-V760 HydrophobicContact CD2-CG1 4.16Å; Y610-V760 HydrophobicContact CG-CG1 3.84Å; Q756-V760 WeakPolarHBondContact O-CG2 3.19Å; Q756-V760 PolarHBondContact O-N 2.65Å; V757-V760 WeakPolarHBondContact O-CA 3.46Å; V757-V760 VanDerWaalsContact O-CB 3.32Å; V757-V760 WeakPolarHBondContact O-CB 3.45Å; V757-V760 PolarHBondContact O-N 2.85Å; I758-V760 PolarHBondContact O-N 3.36Å; V760-R763 WeakPolarHBondContact O-CA 3.38Å; V760-R763 VanDerWaalsContact O-CB 3.29Å; V760-R763 WeakPolarHBondContact O-CB 3.31Å; V760-R763 PolarHBondContact O-N 3.23Å; V760-I764 HydrophobicContact CG1-CD1 3.74Å; V760-I764 HydrophobicContact CG1-CG1 4.09Å; V760-I764 PolarHBondContact O-N 3.09Å
761	L	95.9	Very high	92.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-45.8	-174.5	-50.7	175.5	0	0	0	113.6	F614 I617 F689 L695 V757 I758 R763 I764 K765	F614-L761 HydrophobicContact CB-CD2 4.47Å; F614-L761 HydrophobicContact CD2-CB 4.39Å; F614-L761 HydrophobicContact CD2-CD2 4.15Å; I617-L761 HydrophobicContact CD1-CD1 3.58Å; I617-L761 HydrophobicContact CD1-CD2 3.84Å; I617-L761 HydrophobicContact CD1-CG 4.36Å; F689-L761 HydrophobicContact CD1-CB 3.63Å; F689-L761 HydrophobicContact CD1-CD1 3.74Å; F689-L761 HydrophobicContact CD1-CG 4.34Å; F689-L761 HydrophobicContact CD2-CB 4.44Å; F689-L761 HydrophobicContact CE1-CB 3.83Å; F689-L761 HydrophobicContact CE1-CD1 4.32Å; F689-L761 HydrophobicContact CG-CB 3.97Å; F689-L761 HydrophobicContact CG-CD1 4.47Å; F689-L761 HydrophobicContact CZ-CB 4.3Å; L695-L761 HydrophobicContact CD1-CD1 4.41Å; L695-L761 HydrophobicContact CD2-CD1 4.48Å; V757-L761 PolarHBondContact O-N 2.94Å; I758-L761 PolarHBondContact O-N 2.83Å; L761-R763 VanDerWaalsContact C-N 3.26Å; L761-R763 PolarHBondContact O-N 2.88Å; L761-I764 PolarHBondContact O-N 2.88Å; L761-I764 VanDerWaalsContact O-N 3.15Å; L761-K765 PolarHBondContact O-N 3.39Å
762	P	95.6	Very high	92.7	Very high	46 Å²	46	49.7 Å²	49.7	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-28.3	174.6	-21.8	32	0	0	0	113.5	F689 I758 K766	F689-P762 HydrophobicContact CB-CG 4.32Å; F689-P762 HydrophobicContact CD2-CB 4.39Å; F689-P762 HydrophobicContact CD2-CG 3.83Å; F689-P762 HydrophobicContact CG-CG 4.36Å; I758-P762 WeakPolarHBondContact O-CD 3.2Å; P762-K766 VanDerWaalsContact O-CG 3.28Å; P762-K766 WeakPolarHBondContact O-CG 3.31Å; P762-K766 PolarHBondContact O-N 2.85Å
763	R	95.7	Very high	92.7	Very high	103 Å²	103	44.6 Å²	44.6	39%	0.389	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-46.2	173.8	-64.9	174	60.5	-159.2	-7.7	109.4	D606 L607 V760 L761 K766 H767	D606-R763 IonicContact OD1-NH2 3.15Å; D606-R763 IonicContact OD2-CZ 2.74Å; D606-R763 IonicContact OD2-NH1 3.47Å; D606-R763 IonicContact OD2-NH2 3.91Å; D606-R763 PolarHBondContact OD2-NH2 2.88Å; L607-R763 HydrophobicContact CD1-CB 3.71Å; V760-R763 WeakPolarHBondContact O-CA 3.38Å; V760-R763 VanDerWaalsContact O-CB 3.29Å; V760-R763 WeakPolarHBondContact O-CB 3.31Å; V760-R763 PolarHBondContact O-N 3.23Å; L761-R763 VanDerWaalsContact C-N 3.26Å; L761-R763 PolarHBondContact O-N 2.88Å; R763-K766 WeakPolarHBondContact O-CB 3.42Å; R763-K766 PolarHBondContact O-N 2.9Å; R763-H767 PolarHBondContact O-CD2 2.76Å
764	I	96.4	Very high	92.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-48.1	176.7	-63.3	173.4	0	0	0	111	L603 L607 F614 V760 L761 K766 H767 L768	L603-I764 HydrophobicContact CD1-CB 4.48Å; L603-I764 HydrophobicContact CD1-CG1 4.28Å; L603-I764 HydrophobicContact CD1-CG2 4.47Å; L607-I764 HydrophobicContact CB-CG1 4.2Å; L607-I764 HydrophobicContact CD1-CG1 4.15Å; F614-I764 HydrophobicContact CB-CD1 4.06Å; F614-I764 HydrophobicContact CB-CG2 4.18Å; F614-I764 HydrophobicContact CD1-CG2 3.85Å; F614-I764 HydrophobicContact CD2-CB 3.93Å; F614-I764 HydrophobicContact CD2-CD1 4.45Å; F614-I764 HydrophobicContact CD2-CG2 3.71Å; F614-I764 HydrophobicContact CE1-CG2 4.15Å; F614-I764 HydrophobicContact CE2-CB 4.22Å; F614-I764 HydrophobicContact CE2-CG2 4.01Å; F614-I764 HydrophobicContact CG-CB 4.3Å; F614-I764 HydrophobicContact CG-CD1 4.46Å; F614-I764 HydrophobicContact CG-CG2 3.63Å; F614-I764 HydrophobicContact CZ-CG2 4.23Å; V760-I764 HydrophobicContact CG1-CD1 3.74Å; V760-I764 HydrophobicContact CG1-CG1 4.09Å; V760-I764 PolarHBondContact O-N 3.09Å; L761-I764 PolarHBondContact O-N 2.88Å; L761-I764 VanDerWaalsContact O-N 3.15Å; I764-K766 VanDerWaalsContact C-N 3.26Å; I764-K766 PolarHBondContact O-N 3.3Å; I764-H767 PolarHBondContact O-N 3.01Å; I764-L768 HydrophobicContact CG2-CD1 3.48Å; I764-L768 VanDerWaalsContact CG2-CD1 3.48Å; I764-L768 HydrophobicContact CG2-CG 4.11Å; I764-L768 PolarHBondContact O-N 3.29Å
765	K	95.1	Very high	92.9	Very high	44 Å²	44	42 Å²	42	19%	0.191	19%	0.192	C	C	.	.	H	α-helix	trans	-48.2	-47.4	177.2	-172.7	-142.6	177	-179.7	0	112.1	F614 F684 N685 P687 F689 L761 H767 L768 L769	F614-K765 HydrophobicContact CE2-CB 4.32Å; F614-K765 HydrophobicContact CZ-CB 4.44Å; F684-K765 WeakPolarHBondContact O-CE 3.48Å; F684-K765 PolarHBondContact O-NZ 3.15Å; N685-K765 PolarHBondContact O-NZ 3.32Å; P687-K765 VanDerWaalsContact CD-CE 3.47Å; P687-K765 HydrophobicContact CG-CD 3.89Å; P687-K765 HydrophobicContact CG-CG 4.19Å; F689-K765 HydrophobicContact CE2-CB 3.92Å; F689-K765 HydrophobicContact CE2-CD 4.06Å; F689-K765 HydrophobicContact CE2-CG 4.12Å; F689-K765 HydrophobicContact CZ-CB 4.18Å; F689-K765 HydrophobicContact CZ-CG 4.4Å; L761-K765 PolarHBondContact O-N 3.39Å; K765-H767 PolarHBondContact O-N 2.92Å; K765-H767 VanDerWaalsContact O-N 3.11Å; K765-L768 PolarHBondContact O-N 3.27Å; K765-L769 HydrophobicContact CG-CB 4.2Å; K765-L769 HydrophobicContact CG-CD1 3.69Å; K765-L769 HydrophobicContact CG-CG 4.09Å; K765-L769 PolarHBondContact O-N 2.66Å
766	K	92.9	Very high	93.2	Very high	124 Å²	124	40.4 Å²	40.4	54%	0.539	18%	0.181	S	C	.	.	H	α-helix	trans	-57.2	-25.7	-179	-81.6	172.4	-172.9	177.4	0	114.4	P762 R763 I764 R806	P762-K766 VanDerWaalsContact O-CG 3.28Å; P762-K766 WeakPolarHBondContact O-CG 3.31Å; P762-K766 PolarHBondContact O-N 2.85Å; R763-K766 WeakPolarHBondContact O-CB 3.42Å; R763-K766 PolarHBondContact O-N 2.9Å; I764-K766 VanDerWaalsContact C-N 3.26Å; I764-K766 PolarHBondContact O-N 3.3Å; K766-R806 PolarHBondContact O-NE 3.27Å; K766-R806 PolarHBondContact O-NH2 3.03Å
767	H	94	Very high	93.5	Very high	30 Å²	30	33.6 Å²	33.6	14%	0.139	15%	0.149	C	C	.	.	H	α-helix	trans	-99.7	-36.9	-179.8	-69.6	-83.2	0	0	0	112.5	T602 L603 R763 I764 K765 R806	T602-H767 PolarHBondContact O-CE1 3.03Å; T602-H767 PolarHBondContact O-ND1 3.08Å; T602-H767 PolarHBondContact OG1-ND1 3.39Å; L603-H767 HydrophobicContact CB-CB 4.37Å; L603-H767 HydrophobicContact CD1-CB 3.85Å; R763-H767 PolarHBondContact O-CD2 2.76Å; I764-H767 PolarHBondContact O-N 3.01Å; K765-H767 PolarHBondContact O-N 2.92Å; K765-H767 VanDerWaalsContact O-N 3.11Å; H767-R806 WeakPolarHBondContact ND1-CD 3.38Å
768	L	92.1	Very high	93.7	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-87.6	-48.5	-174.4	-82.5	-176.5	0	0	0	114.7	C598 L600 V611 F614 V662 I764 K765 N770	C598-L768 HydrophobicContact CB-CD2 4.4Å; C598-L768 WeakPolarHBondContact CB-O 3.4Å; L600-L768 HydrophobicContact CD2-CD1 4.16Å; L600-L768 HydrophobicContact CD2-CD2 3.37Å; L600-L768 HydrophobicContact CD2-CG 3.92Å; L600-L768 HydrophobicContact CG-CD2 3.9Å; V611-L768 HydrophobicContact CG1-CD1 4.25Å; F614-L768 HydrophobicContact CD1-CD1 3.93Å; F614-L768 HydrophobicContact CE1-CD1 3.88Å; V662-L768 HydrophobicContact CB-CD1 4.45Å; V662-L768 HydrophobicContact CB-CD2 4.1Å; V662-L768 HydrophobicContact CG2-CD1 3.76Å; V662-L768 HydrophobicContact CG2-CD2 3.82Å; V662-L768 HydrophobicContact CG2-CG 4.48Å; I764-L768 HydrophobicContact CG2-CD1 3.48Å; I764-L768 VanDerWaalsContact CG2-CD1 3.48Å; I764-L768 HydrophobicContact CG2-CG 4.11Å; I764-L768 PolarHBondContact O-N 3.29Å; K765-L768 PolarHBondContact O-N 3.27Å; L768-N770 PolarHBondContact O-N 2.87Å
769	L	91	Very high	93.9	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.068	14%	0.142	C	C	.	.	S	Bend	trans	-85.4	58.9	-177	-54.1	-173.5	0	0	0	109.5	F614 I618 I683 F684 K765 N802	F614-L769 HydrophobicContact CZ-CD1 4.45Å; I618-L769 HydrophobicContact CD1-CD1 4.37Å; I618-L769 HydrophobicContact CG1-CD1 4.48Å; I683-L769 WeakPolarHBondContact O-CD1 3.48Å; F684-L769 HydrophobicContact CD1-CB 3.82Å; F684-L769 HydrophobicContact CD1-CD2 4.37Å; F684-L769 HydrophobicContact CD2-CD2 4.29Å; F684-L769 HydrophobicContact CE1-CB 4.2Å; F684-L769 HydrophobicContact CE1-CD2 4.2Å; F684-L769 HydrophobicContact CE2-CD2 4.14Å; F684-L769 HydrophobicContact CG-CB 4.19Å; F684-L769 HydrophobicContact CG-CD2 4.42Å; F684-L769 HydrophobicContact CZ-CD2 4.09Å; K765-L769 HydrophobicContact CG-CB 4.2Å; K765-L769 HydrophobicContact CG-CD1 3.69Å; K765-L769 HydrophobicContact CG-CG 4.09Å; K765-L769 PolarHBondContact O-N 2.66Å; L769-N802 WeakPolarHBondContact O-CB 3.36Å
770	N	87.3	Confident	94	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	11%	0.108	C	C	.	.			trans	-133.6	114.5	-175	178.1	0.3	0	0	0	109.1	L768 E772 N802 R803 K804	L768-N770 PolarHBondContact O-N 2.87Å; N770-E772 PolarHBondContact O-N 2.92Å; N770-E772 VanDerWaalsContact O-N 3.11Å; N770-E772 VanDerWaalsContact OD1-CB 3.26Å; N770-E772 WeakPolarHBondContact OD1-CB 3.33Å; N770-E772 PolarHBondContact OD1-N 3.17Å; N770-E772 VanDerWaalsContact OD1-N 3.13Å; N770-N802 PolarHBondContact OD1-O 3.06Å; N770-R803 WeakPolarHBondContact OD1-CA 3.47Å; N770-K804 PolarHBondContact ND2-O 3.31Å; N770-K804 PolarHBondContact OD1-N 3.09Å
771	P	88.8	Confident	94	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-65.6	-15.8	-175.4	27.4	-35.9	0	0	0	113.7	V579 N773 M774 V799 R803	V579-P771 HydrophobicContact CG2-CB 4.16Å; P771-N773 VanDerWaalsContact C-N 3.26Å; P771-N773 PolarHBondContact O-N 3.22Å; P771-M774 HydrophobicContact CB-CE 3.98Å; P771-M774 WeakPolarHBondContact O-CB 3.27Å; P771-M774 PolarHBondContact O-N 3.26Å; P771-V799 HydrophobicContact CB-CG2 4.2Å; P771-V799 HydrophobicContact CG-CG2 4.2Å; P771-R803 HydrophobicContact CG-CB 3.98Å; P771-R803 HydrophobicContact CG-CG 4.46Å
772	E	88.3	Confident	93.8	Very high	47 Å²	47	26.1 Å²	26.1	22%	0.22	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59.6	-31.1	-177.7	-178.6	57.6	-151.6	0	0	114	H578 N770 R803	H578-E772 IonicContact NE2-OE2 3.06Å; N770-E772 PolarHBondContact O-N 2.92Å; N770-E772 VanDerWaalsContact O-N 3.11Å; N770-E772 VanDerWaalsContact OD1-CB 3.26Å; N770-E772 WeakPolarHBondContact OD1-CB 3.33Å; N770-E772 PolarHBondContact OD1-N 3.17Å; N770-E772 VanDerWaalsContact OD1-N 3.13Å; E772-R803 HydrophobicContact CB-CG 4.16Å; E772-R803 IonicContact OE2-CZ 3.77Å; E772-R803 VanDerWaalsContact OE2-CZ 3.25Å; E772-R803 IonicContact OE2-NE 3.86Å; E772-R803 PolarHBondContact OE2-NE 2.99Å; E772-R803 IonicContact OE2-NH2 3.85Å; E772-R803 PolarHBondContact OE2-NH2 3.16Å
773	N	86.9	Confident	93.8	Very high	29 Å²	29	30.7 Å²	30.7	16%	0.155	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-121.2	39.9	179.4	-60.3	-74.8	0	0	0	111.7	S599 P771 K829	S599-N773 PolarHBondContact N-O 3.43Å; P771-N773 VanDerWaalsContact C-N 3.26Å; P771-N773 PolarHBondContact O-N 3.22Å; N773-K829 PolarHBondContact OD1-NZ 3.32Å
774	M	94.1	Very high	93.8	Very high	10 Å²	10	27 Å²	27	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	150	-178.4	-169.5	167	66.4	0	0	111.5	V579 A596 M597 F684 P771 F795 I796	V579-M774 HydrophobicContact CG1-CB 4.37Å; V579-M774 HydrophobicContact CG1-CE 4.12Å; V579-M774 HydrophobicContact CG1-CG 4.44Å; V579-M774 HydrophobicContact CG2-CE 4.19Å; A596-M774 HydrophobicContact CB-CG 4.11Å; A596-M774 HydrophobicContact CB-SD 3.91Å; M597-M774 VanDerWaalsContact O-CA 3.32Å; M597-M774 WeakPolarHBondContact O-CA 3.36Å; F684-M774 HydrophobicContact CE1-SD 4.19Å; F684-M774 HydrophobicContact CZ-SD 4.19Å; P771-M774 HydrophobicContact CB-CE 3.98Å; P771-M774 WeakPolarHBondContact O-CB 3.27Å; P771-M774 PolarHBondContact O-N 3.26Å; M774-F795 HydrophobicContact CE-CE1 4.25Å; M774-I796 HydrophobicContact CE-CD1 3.28Å
775	R	96.4	Very high	93.7	Very high	18 Å²	18	27.6 Å²	27.6	7%	0.068	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.9	161.1	61.5	172.1	-177.3	-79	13	109.6	P580 A596 M597 E659 F965 R966	P580-R775 HydrophobicContact CB-CB 4.45Å; A596-R775 CarbonylContact C-O 3.56Å; A596-R775 WeakPolarHBondContact CA-O 3.42Å; M597-R775 HydrophobicContact CB-CG 3.85Å; M597-R775 PolarHBondContact N-O 3.21Å; M597-R775 PolarHBondContact O-N 3.32Å; M597-R775 VanDerWaalsContact O-N 3.08Å; E659-R775 IonicContact OE1-CZ 2.76Å; E659-R775 IonicContact OE1-NH1 2.73Å; E659-R775 PolarHBondContact OE1-NH1 3.07Å; E659-R775 IonicContact OE1-NH2 3.33Å; E659-R775 PolarHBondContact OE1-NH2 2.84Å; E659-R775 IonicContact OE2-CZ 2.77Å; E659-R775 IonicContact OE2-NH1 2.89Å; E659-R775 IonicContact OE2-NH2 2.73Å; E659-R775 PolarHBondContact OE2-NH2 2.83Å; R775-F965 HydrophobicContact CB-CE2 4.29Å; R775-F965 HydrophobicContact CG-CD2 4.4Å; R775-F965 HydrophobicContact CG-CE2 3.65Å; R775-F965 HydrophobicContact CG-CZ 4.19Å; R775-F965 PolarHBondContact NE-O 3.4Å; R775-F965 PolarHBondContact NH2-O 3.36Å; R775-F965 VanDerWaalsContact NH2-O 3.12Å; R775-R966 PolarHBondContact NH2-O 3.17Å
776	C	98	Very high	93.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	157.6	-177.3	-56.8	0	0	0	0	112.8	P580 V581 Q582 F594 R595 L792 F965	P580-C776 PolarHBondContact O-N 2.81Å; V581-C776 WeakPolarHBondContact CA-O 3.42Å; V581-C776 HydrophobicContact CG1-CB 4.27Å; V581-C776 HydrophobicContact CG2-CB 4.28Å; Q582-C776 PolarHBondContact N-O 2.9Å; F594-C776 HydrophobicContact CE2-CB 4.07Å; R595-C776 CarbonylContact O-C 3.5Å; R595-C776 WeakPolarHBondContact O-CA 3.42Å; C776-L792 HydrophobicContact CB-CD2 4.3Å; C776-F965 WeakPolarHBondContact O-CE2 3.14Å
777	A	98	Very high	93.7	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.8	167.1	0	0	0	0	0	111.1	Q582 R595 F965	Q582-A777 HydrophobicContact CB-CB 4.19Å; Q582-A777 CarbonylContact O-C 3.58Å; Q582-A777 WeakPolarHBondContact O-CA 3.49Å; R595-A777 HydrophobicContact CB-CB 4.34Å; R595-A777 PolarHBondContact N-O 3.07Å; R595-A777 PolarHBondContact O-N 3.33Å; A777-F965 HydrophobicContact CB-CB 4.37Å; A777-F965 HydrophobicContact CB-CD1 4.11Å; A777-F965 HydrophobicContact CB-CD2 3.61Å; A777-F965 HydrophobicContact CB-CE1 4.31Å; A777-F965 HydrophobicContact CB-CE2 3.81Å; A777-F965 HydrophobicContact CB-CG 3.76Å; A777-F965 HydrophobicContact CB-CZ 4.16Å
778	M	97.8	Very high	93.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.8	178.5	-67.9	-61.3	-36.2	0	0	109.8	V581 Q582 Y583 C584 V592 Y593 F594 F677 L792	V581-M778 HydrophobicContact CG1-CG 4.4Å; Q582-M778 PolarHBondContact O-N 3.22Å; Y583-M778 HydrophobicContact CD1-CB 3.7Å; Y583-M778 HydrophobicContact CD1-CG 4.07Å; Y583-M778 HydrophobicContact CE1-CB 3.98Å; Y583-M778 HydrophobicContact CE1-CG 3.81Å; C584-M778 PolarHBondContact N-O 3.36Å; V592-M778 HydrophobicContact CG1-CE 3.13Å; Y593-M778 WeakPolarHBondContact O-CA 3.44Å; Y593-M778 WeakPolarHBondContact O-CE 3.3Å; F594-M778 HydrophobicContact CB-CE 4.27Å; F594-M778 HydrophobicContact CB-SD 3.99Å; F594-M778 HydrophobicContact CD2-SD 3.61Å; F594-M778 HydrophobicContact CG-SD 4.26Å; F677-M778 HydrophobicContact CZ-SD 4.09Å; M778-L792 HydrophobicContact CG-CD2 4.07Å; M778-L792 HydrophobicContact SD-CD2 4.44Å
779	N	97.9	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.9	168.4	-67.7	53	0	0	0	108.7	C584 Y593 P957 K960	C584-N779 WeakPolarHBondContact O-CA 3.16Å; Y593-N779 HydrophobicContact CD2-CB 4.32Å; Y593-N779 PolarHBondContact N-O 3.48Å; Y593-N779 PolarHBondContact O-N 3.42Å; N779-P957 PolarHBondContact ND2-O 3.36Å; N779-K960 PolarHBondContact ND2-O 2.83Å
780	A	96.6	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	169.6	179.3	0	0	0	0	0	111	C584 E585 Q586 V592 I784 I785	C584-A780 PolarHBondContact O-N 3.5Å; E585-A780 CarbonylContact C-O 3.56Å; E585-A780 WeakPolarHBondContact CA-O 3.48Å; Q586-A780 PolarHBondContact N-O 3.26Å; Q586-A780 CarbonylContact O-C 3.5Å; V592-A780 HydrophobicContact CB-CB 4.5Å; V592-A780 HydrophobicContact CG1-CB 4.32Å; V592-A780 HydrophobicContact CG2-CB 4.06Å; A780-I784 HydrophobicContact CB-CG2 3.5Å; A780-I785 HydrophobicContact CB-CD1 3.85Å; A780-I785 HydrophobicContact CB-CG1 4.4Å
781	A	94.4	Very high	94.7	Very high	5 Å²	5	34 Å²	34	4%	0.041	18%	0.181	C	C	.	.			trans	-67.9	147	173.9	0	0	0	0	0	111.9	Q586 T588 Q783 I784 I785	Q586-A781 WeakPolarHBondContact O-CA 3.36Å; Q586-A781 PolarHBondContact O-N 3.27Å; T588-A781 PolarHBondContact OG1-N 2.82Å; A781-Q783 VanDerWaalsContact CB-CD 3.43Å; A781-Q783 HydrophobicContact CB-CG 4.47Å; A781-Q783 PolarHBondContact O-N 3.5Å; A781-I784 WeakPolarHBondContact O-CG2 3.34Å; A781-I784 PolarHBondContact O-N 3.12Å; A781-I785 WeakPolarHBondContact O-CG1 3.42Å; A781-I785 PolarHBondContact O-N 3.28Å
782	P	93.2	Very high	95.1	Very high	69 Å²	69	34 Å²	34	45%	0.448	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-49.5	-38.1	-174.9	-26	30	0	0	0	113.9	E585 I784 I785	E585-P782 HydrophobicContact CB-CG 4.07Å; P782-I784 VanDerWaalsContact C-N 3.3Å; P782-I784 PolarHBondContact O-N 2.98Å; P782-I785 PolarHBondContact O-N 3.49Å
783	Q	94.8	Very high	95.5	Very high	141 Å²	141	37 Å²	37	66%	0.659	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-64.7	-24.3	-178.1	64.4	-87.2	16.6	0	0	115.2	A781	A781-Q783 VanDerWaalsContact CB-CD 3.43Å; A781-Q783 HydrophobicContact CB-CG 4.47Å; A781-Q783 PolarHBondContact O-N 3.5Å
784	I	95.6	Very high	95.9	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.128	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-108.4	-3.3	-175.6	-157.9	66.7	0	0	0	113	V592 D670 A780 A781 P782 S786 D787 S788	V592-I784 HydrophobicContact CG2-CG1 4.45Å; V592-I784 HydrophobicContact CG2-CG2 3.95Å; D670-I784 HydrophobicContact CB-CD1 4.3Å; D670-I784 HydrophobicContact CB-CG1 4.17Å; A780-I784 HydrophobicContact CB-CG2 3.5Å; A781-I784 WeakPolarHBondContact O-CG2 3.34Å; A781-I784 PolarHBondContact O-N 3.12Å; P782-I784 VanDerWaalsContact C-N 3.3Å; P782-I784 PolarHBondContact O-N 2.98Å; I784-S786 VanDerWaalsContact C-N 3.34Å; I784-S786 PolarHBondContact O-N 3.01Å; I784-D787 HydrophobicContact CD1-CB 4.1Å; I784-D787 PolarHBondContact O-N 2.71Å; I784-S788 WeakPolarHBondContact O-CB 3.42Å; I784-S788 PolarHBondContact O-N 2.89Å; I784-S788 PolarHBondContact O-OG 2.66Å
785	I	94.2	Very high	96	Very high	14 Å²	14	38 Å²	38	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-40.6	-177.5	-71.4	-77.8	0	0	0	111.9	Y583 E585 A780 A781 P782 D787 S788 A789	Y583-I785 HydrophobicContact CD1-CD1 4.47Å; Y583-I785 HydrophobicContact CD1-CG2 4.1Å; E585-I785 HydrophobicContact CG-CD1 4.49Å; E585-I785 HydrophobicContact CG-CG1 4.12Å; A780-I785 HydrophobicContact CB-CD1 3.85Å; A780-I785 HydrophobicContact CB-CG1 4.4Å; A781-I785 WeakPolarHBondContact O-CG1 3.42Å; A781-I785 PolarHBondContact O-N 3.28Å; P782-I785 PolarHBondContact O-N 3.49Å; I785-D787 PolarHBondContact O-N 3.25Å; I785-S788 WeakPolarHBondContact O-CB 3.44Å; I785-S788 PolarHBondContact O-N 2.81Å; I785-A789 PolarHBondContact O-N 2.92Å
786	S	94.4	Very high	96	Very high	77 Å²	77	37.4 Å²	37.4	54%	0.538	20%	0.203	S	C	.	.	H	α-helix	trans	-64	-40.6	178.9	-177.3	0	0	0	0	112.3	I784 A789 K790	I784-S786 VanDerWaalsContact C-N 3.34Å; I784-S786 PolarHBondContact O-N 3.01Å; S786-A789 PolarHBondContact O-N 3.42Å; S786-K790 WeakPolarHBondContact O-CG 3.34Å; S786-K790 PolarHBondContact O-N 3.31Å
787	D	94.6	Very high	95.9	Very high	69 Å²	69	45.1 Å²	45.1	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-73.5	-37.3	177.5	-66.9	-26	0	0	0	111.1	I784 I785 A789 K790 E791	I784-D787 HydrophobicContact CD1-CB 4.1Å; I784-D787 PolarHBondContact O-N 2.71Å; I785-D787 PolarHBondContact O-N 3.25Å; D787-A789 VanDerWaalsContact C-N 3.27Å; D787-A789 PolarHBondContact O-N 3.07Å; D787-K790 PolarHBondContact O-N 2.81Å; D787-K790 VanDerWaalsContact O-N 3.15Å; D787-K790 IonicContact OD1-NZ 3.51Å; D787-K790 PolarHBondContact OD1-NZ 2.77Å; D787-E791 WeakPolarHBondContact O-CG 3.15Å; D787-E791 PolarHBondContact O-N 2.88Å
788	S	95	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-41	170.2	-58.7	0	0	0	0	112.7	I784 I785 L792	I784-S788 WeakPolarHBondContact O-CB 3.42Å; I784-S788 PolarHBondContact O-N 2.89Å; I784-S788 PolarHBondContact O-OG 2.66Å; I785-S788 WeakPolarHBondContact O-CB 3.44Å; I785-S788 PolarHBondContact O-N 2.81Å; S788-L792 VanDerWaalsContact O-CB 3.27Å; S788-L792 WeakPolarHBondContact O-CB 3.39Å; S788-L792 PolarHBondContact O-N 2.98Å
789	A	96	Very high	95.5	Very high	27 Å²	27	48.6 Å²	48.6	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-41.3	177.2	0	0	0	0	0	112.6	Y583 I785 S786 D787 E793	Y583-A789 HydrophobicContact CE1-CB 3.89Å; Y583-A789 WeakPolarHBondContact OH-CA 3.35Å; Y583-A789 VanDerWaalsContact OH-CB 3.3Å; Y583-A789 WeakPolarHBondContact OH-CB 3.46Å; I785-A789 PolarHBondContact O-N 2.92Å; S786-A789 PolarHBondContact O-N 3.42Å; D787-A789 VanDerWaalsContact C-N 3.27Å; D787-A789 PolarHBondContact O-N 3.07Å; A789-E793 WeakPolarHBondContact O-CB 3.22Å; A789-E793 PolarHBondContact O-N 2.95Å
790	K	96.1	Very high	95.1	Very high	116 Å²	116	50.7 Å²	50.7	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-46.6	177.8	-66.1	170.8	-162.3	153.4	0	111.7	S786 D787 L792 E793 S794	S786-K790 WeakPolarHBondContact O-CG 3.34Å; S786-K790 PolarHBondContact O-N 3.31Å; D787-K790 PolarHBondContact O-N 2.81Å; D787-K790 VanDerWaalsContact O-N 3.15Å; D787-K790 IonicContact OD1-NZ 3.51Å; D787-K790 PolarHBondContact OD1-NZ 2.77Å; K790-L792 VanDerWaalsContact C-N 3.34Å; K790-L792 PolarHBondContact O-N 2.86Å; K790-E793 PolarHBondContact O-N 2.84Å; K790-S794 PolarHBondContact O-N 3.1Å
791	E	97.3	Very high	94.7	Very high	63 Å²	63	59 Å²	59	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-39.8	179.2	-66.8	-59.1	144.2	0	0	111.4	L673 P674 F677 D787 S794 F795	L673-E791 HydrophobicContact CD2-CB 4.26Å; L673-E791 HydrophobicContact CD2-CG 4.09Å; L673-E791 HydrophobicContact CG-CB 4.21Å; L673-E791 HydrophobicContact CG-CG 4.19Å; P674-E791 WeakPolarHBondContact CB-OE2 3.23Å; P674-E791 HydrophobicContact CG-CG 4.29Å; F677-E791 HydrophobicContact CD2-CB 3.72Å; F677-E791 HydrophobicContact CE2-CB 3.99Å; D787-E791 WeakPolarHBondContact O-CG 3.15Å; D787-E791 PolarHBondContact O-N 2.88Å; E791-S794 WeakPolarHBondContact O-CB 3.42Å; E791-S794 PolarHBondContact O-N 3.27Å; E791-F795 PolarHBondContact O-N 2.86Å
792	L	97.1	Very high	94.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-42.7	173	178.8	61.8	0	0	0	111.8	A576 V581 F594 F677 C776 M778 S788 K790 S794 F795 I796	A576-L792 HydrophobicContact CB-CD2 4.4Å; A576-L792 HydrophobicContact CB-CG 4.16Å; V581-L792 HydrophobicContact CB-CD2 4.27Å; V581-L792 HydrophobicContact CG1-CD2 3.53Å; V581-L792 HydrophobicContact CG2-CD2 3.68Å; F594-L792 HydrophobicContact CD2-CD1 4.35Å; F594-L792 HydrophobicContact CE2-CD1 3.7Å; F594-L792 HydrophobicContact CZ-CD1 4.44Å; F677-L792 HydrophobicContact CE1-CD1 3.78Å; F677-L792 HydrophobicContact CE2-CB 4.31Å; F677-L792 HydrophobicContact CZ-CB 3.96Å; F677-L792 HydrophobicContact CZ-CD1 3.86Å; F677-L792 HydrophobicContact CZ-CG 4.5Å; C776-L792 HydrophobicContact CB-CD2 4.3Å; M778-L792 HydrophobicContact CG-CD2 4.07Å; M778-L792 HydrophobicContact SD-CD2 4.44Å; S788-L792 VanDerWaalsContact O-CB 3.27Å; S788-L792 WeakPolarHBondContact O-CB 3.39Å; S788-L792 PolarHBondContact O-N 2.98Å; K790-L792 VanDerWaalsContact C-N 3.34Å; K790-L792 PolarHBondContact O-N 2.86Å; L792-S794 VanDerWaalsContact C-N 3.3Å; L792-S794 PolarHBondContact O-N 3.39Å; L792-F795 HydrophobicContact CD1-CD1 3.97Å; L792-F795 WeakPolarHBondContact O-CB 3.46Å; L792-F795 PolarHBondContact O-N 3.3Å; L792-I796 HydrophobicContact CD1-CD1 4.48Å; L792-I796 HydrophobicContact CD1-CG1 4.35Å; L792-I796 WeakPolarHBondContact O-CG1 3.4Å; L792-I796 PolarHBondContact O-N 2.98Å
793	E	96.4	Very high	94	Very high	111 Å²	111	63 Å²	63	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-38.5	176.4	-171.9	170	-159.6	0	0	112	A576 A789 K790 I796 K797	A576-E793 HydrophobicContact CB-CB 4.48Å; A789-E793 WeakPolarHBondContact O-CB 3.22Å; A789-E793 PolarHBondContact O-N 2.95Å; K790-E793 PolarHBondContact O-N 2.84Å; E793-I796 PolarHBondContact O-N 3.32Å; E793-K797 WeakPolarHBondContact O-CB 3.18Å; E793-K797 PolarHBondContact O-N 3.01Å
794	S	96.1	Very high	93.7	Very high	57 Å²	57	62.1 Å²	62.1	40%	0.399	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-49.1	171.7	-165.1	0	0	0	0	111.5	K790 E791 L792 I796 K797 D798	K790-S794 PolarHBondContact O-N 3.1Å; E791-S794 WeakPolarHBondContact O-CB 3.42Å; E791-S794 PolarHBondContact O-N 3.27Å; L792-S794 VanDerWaalsContact C-N 3.3Å; L792-S794 PolarHBondContact O-N 3.39Å; S794-I796 PolarHBondContact O-N 3.03Å; S794-K797 WeakPolarHBondContact O-CB 3.46Å; S794-K797 PolarHBondContact O-N 2.86Å; S794-K797 VanDerWaalsContact O-N 3.12Å; S794-D798 VanDerWaalsContact O-CG 3.3Å; S794-D798 PolarHBondContact O-N 3.1Å
795	F	96.6	Very high	93.2	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.009	35%	0.346	C	S	.	.	H	α-helix	trans	-55.9	-47.5	175.5	164.3	-105.5	0	0	0	112.2	F594 F677 W680 S681 F684 M774 E791 L792 K797 D798 V799	F594-F795 HydrophobicContact CZ-CE1 4.21Å; F677-F795 HydrophobicContact CB-CB 4.15Å; F677-F795 HydrophobicContact CD1-CB 3.66Å; F677-F795 HydrophobicContact CD1-CD1 4.16Å; F677-F795 HydrophobicContact CD1-CD2 4.22Å; F677-F795 AromaticContact CD1-CG 3.74Å; F677-F795 HydrophobicContact CD1-CG 3.74Å; F677-F795 HydrophobicContact CE1-CB 4.32Å; F677-F795 HydrophobicContact CE1-CD1 4.27Å; F677-F795 HydrophobicContact CE1-CG 4.3Å; F677-F795 HydrophobicContact CG-CB 4.05Å; W680-F795 HydrophobicContact CB-CD2 4.07Å; W680-F795 HydrophobicContact CB-CE2 3.62Å; W680-F795 HydrophobicContact CB-CZ 4.24Å; S681-F795 WeakPolarHBondContact OG-CD2 3.21Å; F684-F795 HydrophobicContact CD1-CZ 4.47Å; F684-F795 HydrophobicContact CD2-CE2 4.23Å; F684-F795 HydrophobicContact CD2-CZ 4.1Å; F684-F795 HydrophobicContact CE1-CZ 4.34Å; F684-F795 HydrophobicContact CE2-CE2 4.46Å; F684-F795 AromaticContact CE2-CZ 3.92Å; F684-F795 HydrophobicContact CE2-CZ 3.92Å; F684-F795 HydrophobicContact CG-CE2 4.45Å; F684-F795 HydrophobicContact CG-CZ 4.35Å; F684-F795 HydrophobicContact CZ-CZ 4.06Å; M774-F795 HydrophobicContact CE-CE1 4.25Å; E791-F795 PolarHBondContact O-N 2.86Å; L792-F795 HydrophobicContact CD1-CD1 3.97Å; L792-F795 WeakPolarHBondContact O-CB 3.46Å; L792-F795 PolarHBondContact O-N 3.3Å; F795-K797 VanDerWaalsContact C-N 3.25Å; F795-K797 PolarHBondContact O-N 3.41Å; F795-D798 PolarHBondContact O-N 2.91Å; F795-D798 VanDerWaalsContact O-N 3.17Å; F795-V799 HydrophobicContact CD2-CG1 4.1Å; F795-V799 HydrophobicContact CE2-CG1 3.59Å; F795-V799 HydrophobicContact CZ-CG1 4.06Å; F795-V799 HydrophobicContact CZ-CG2 4.33Å; F795-V799 WeakPolarHBondContact O-CG2 3.49Å; F795-V799 PolarHBondContact O-N 3.01Å
796	I	96.5	Very high	92.8	Very high	6 Å²	6	72.1 Å²	72.1	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-61.8	-36.2	178.8	-63.3	-54.9	0	0	0	111.6	A576 V579 M774 L792 E793 S794 A800	A576-I796 HydrophobicContact CB-CB 4.43Å; A576-I796 HydrophobicContact CB-CG1 3.81Å; A576-I796 WeakPolarHBondContact O-CG2 3.43Å; V579-I796 HydrophobicContact CB-CD1 4.24Å; V579-I796 HydrophobicContact CG1-CD1 4.33Å; V579-I796 HydrophobicContact CG2-CD1 4.08Å; V579-I796 HydrophobicContact CG2-CG2 4.01Å; M774-I796 HydrophobicContact CE-CD1 3.28Å; L792-I796 HydrophobicContact CD1-CD1 4.48Å; L792-I796 HydrophobicContact CD1-CG1 4.35Å; L792-I796 WeakPolarHBondContact O-CG1 3.4Å; L792-I796 PolarHBondContact O-N 2.98Å; E793-I796 PolarHBondContact O-N 3.32Å; S794-I796 PolarHBondContact O-N 3.03Å; I796-A800 PolarHBondContact O-N 3.19Å
797	K	95	Very high	92.5	Very high	163 Å²	163	77.6 Å²	77.6	71%	0.709	37%	0.37	S	S	*	.	H	α-helix	trans	-67.8	-41.3	176	-162.9	179.4	-177.6	-177.5	0	111.6	E793 S794 F795 V799 A800	E793-K797 WeakPolarHBondContact O-CB 3.18Å; E793-K797 PolarHBondContact O-N 3.01Å; S794-K797 WeakPolarHBondContact O-CB 3.46Å; S794-K797 PolarHBondContact O-N 2.86Å; S794-K797 VanDerWaalsContact O-N 3.12Å; F795-K797 VanDerWaalsContact C-N 3.25Å; F795-K797 PolarHBondContact O-N 3.41Å; K797-V799 VanDerWaalsContact C-N 3.31Å; K797-V799 PolarHBondContact O-N 3.22Å; K797-A800 WeakPolarHBondContact O-CB 3.19Å; K797-A800 PolarHBondContact O-N 3.11Å
798	D	94.2	Very high	92.2	Very high	75 Å²	75	77.1 Å²	77.1	40%	0.401	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-33.2	178.7	-69.5	-14.1	0	0	0	112.8	S681 N685 S794 F795	S681-D798 PolarHBondContact OG-OD2 3.3Å; N685-D798 PolarHBondContact ND2-O 2.97Å; S794-D798 VanDerWaalsContact O-CG 3.3Å; S794-D798 PolarHBondContact O-N 3.1Å; F795-D798 PolarHBondContact O-N 2.91Å; F795-D798 VanDerWaalsContact O-N 3.17Å
799	V	94.2	Very high	91.9	Very high	0 Å²	0	81 Å²	81	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.7	178.2	-54.4	0	0	0	0	113.2	F684 P771 F795 K797 E801 N802	F684-V799 HydrophobicContact CB-CB 4.34Å; F684-V799 HydrophobicContact CB-CG1 3.55Å; F684-V799 HydrophobicContact CD1-CB 4.26Å; F684-V799 HydrophobicContact CD1-CG1 4.07Å; F684-V799 HydrophobicContact CG-CG1 3.94Å; P771-V799 HydrophobicContact CB-CG2 4.2Å; P771-V799 HydrophobicContact CG-CG2 4.2Å; F795-V799 HydrophobicContact CD2-CG1 4.1Å; F795-V799 HydrophobicContact CE2-CG1 3.59Å; F795-V799 HydrophobicContact CZ-CG1 4.06Å; F795-V799 HydrophobicContact CZ-CG2 4.33Å; F795-V799 WeakPolarHBondContact O-CG2 3.49Å; F795-V799 PolarHBondContact O-N 3.01Å; K797-V799 VanDerWaalsContact C-N 3.31Å; K797-V799 PolarHBondContact O-N 3.22Å; V799-E801 PolarHBondContact O-N 3.42Å; V799-N802 WeakPolarHBondContact O-CB 3.34Å; V799-N802 PolarHBondContact O-N 2.9Å; V799-N802 VanDerWaalsContact O-N 3.07Å
800	A	89.8	Confident	91.4	Very high	44 Å²	44	82.3 Å²	82.3	36%	0.364	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.8	-175.9	0	0	0	0	0	113.1	I796 K797 N802 R803	I796-A800 PolarHBondContact O-N 3.19Å; K797-A800 WeakPolarHBondContact O-CB 3.19Å; K797-A800 PolarHBondContact O-N 3.11Å; A800-N802 PolarHBondContact O-N 2.97Å; A800-R803 WeakPolarHBondContact O-CB 3.22Å; A800-R803 PolarHBondContact O-N 3.21Å
801	E	87	Confident	90.5	Very high	174 Å²	174	81.6 Å²	81.6	81%	0.813	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.1	175.9	-63.7	-172.1	167.8	0	0	112.9	V799 R803	V799-E801 PolarHBondContact O-N 3.42Å; E801-R803 PolarHBondContact O-N 2.96Å
802	N	85.9	Confident	90.2	Very high	39 Å²	39	82.4 Å²	82.4	21%	0.209	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-75.4	-12.3	174.5	-62.2	-45.2	0	0	0	112.8	N685 L769 N770 V799 A800 K804	N685-N802 PolarHBondContact OD1-ND2 2.82Å; L769-N802 WeakPolarHBondContact O-CB 3.36Å; N770-N802 PolarHBondContact OD1-O 3.06Å; V799-N802 WeakPolarHBondContact O-CB 3.34Å; V799-N802 PolarHBondContact O-N 2.9Å; V799-N802 VanDerWaalsContact O-N 3.07Å; A800-N802 PolarHBondContact O-N 2.97Å; N802-K804 PolarHBondContact O-N 3.33Å
803	R	87.8	Confident	89.9	Confident	121 Å²	121	84.2 Å²	84.2	46%	0.457	42%	0.419	S	S	.	.			trans	-61.8	109.5	-177.6	-170	-173	-180	-172.9	-1.1	109.9	H578 N770 P771 E772 A800 E801	H578-R803 PolarHBondContact NE2-NE 3.31Å; N770-R803 WeakPolarHBondContact OD1-CA 3.47Å; P771-R803 HydrophobicContact CG-CB 3.98Å; P771-R803 HydrophobicContact CG-CG 4.46Å; E772-R803 HydrophobicContact CB-CG 4.16Å; E772-R803 IonicContact OE2-CZ 3.77Å; E772-R803 VanDerWaalsContact OE2-CZ 3.25Å; E772-R803 IonicContact OE2-NE 3.86Å; E772-R803 PolarHBondContact OE2-NE 2.99Å; E772-R803 IonicContact OE2-NH2 3.85Å; E772-R803 PolarHBondContact OE2-NH2 3.16Å; A800-R803 WeakPolarHBondContact O-CB 3.22Å; A800-R803 PolarHBondContact O-N 3.21Å; E801-R803 PolarHBondContact O-N 2.96Å
804	K	87.3	Confident	89.8	Confident	121 Å²	121	81.4 Å²	81.4	53%	0.526	41%	0.407	S	S	.	.			trans	-137	122	175.9	-67.7	-173.8	-179.2	-179.8	0	109.8	N770 N802 R806	N770-K804 PolarHBondContact ND2-O 3.31Å; N770-K804 PolarHBondContact OD1-N 3.09Å; N802-K804 PolarHBondContact O-N 3.33Å; K804-R806 PolarHBondContact O-N 2.91Å
805	E	85.3	Confident	89.6	Confident	176 Å²	176	85.9 Å²	85.9	82%	0.822	42%	0.419	S	S	*	.			trans	-68	128.2	168.5	-165.5	174.8	-175.7	0	0	108.8
806	R	87.3	Confident	89.3	Confident	74 Å²	74	87.9 Å²	87.9	28%	0.279	43%	0.428	S	S	.	.			trans	-128.7	143	-179.5	-68.3	-178.9	178.1	-82	-7.8	108.8	T602 K766 H767 K804 L808	T602-R806 HydrophobicContact CG2-CB 3.9Å; K766-R806 PolarHBondContact O-NE 3.27Å; K766-R806 PolarHBondContact O-NH2 3.03Å; H767-R806 WeakPolarHBondContact ND1-CD 3.38Å; K804-R806 PolarHBondContact O-N 2.91Å; R806-L808 PolarHBondContact O-N 3.48Å
807	K	86.9	Confident	89	Confident	192 Å²	192	89.8 Å²	89.8	84%	0.835	44%	0.44	S	S	*	.			trans	-63.2	136.4	175.7	-166.9	178.9	177	-178.2	0	109.9
808	L	88	Confident	88.5	Confident	59 Å²	59	83.2 Å²	83.2	31%	0.309	41%	0.413	S	S	.	.			trans	-66	137.7	172.2	-59.4	166.4	0	0	0	109.1	N601 T602 R806 V813	N601-L808 HydrophobicContact CB-CD2 3.68Å; T602-L808 HydrophobicContact CG2-CD2 4.21Å; R806-L808 PolarHBondContact O-N 3.48Å; L808-V813 HydrophobicContact CD1-CB 4.3Å; L808-V813 HydrophobicContact CD1-CG1 4.43Å; L808-V813 HydrophobicContact CD1-CG2 4.05Å
809	I	89.4	Confident	87.9	Confident	81 Å²	81	81.7 Å²	81.7	42%	0.415	41%	0.405	S	S	.	.	S	Bend	trans	-73.3	-40.5	-179.7	-63.5	-60.2	0	0	0	110.8	N601 T602 L603 E605	N601-I809 PolarHBondContact O-N 3.05Å; N601-I809 VanDerWaalsContact O-N 3.07Å; T602-I809 WeakPolarHBondContact O-CG1 3.41Å; L603-I809 WeakPolarHBondContact O-CG1 3.08Å; E605-I809 HydrophobicContact CG-CG2 4.04Å
810	R	84.8	Confident	87	Confident	55 Å²	55	85.1 Å²	85.1	21%	0.208	43%	0.427	C	S	.	.	S	Bend	trans	-94.7	137.9	176.4	-66.5	-169.5	175.1	-174.3	-11	111	E605 E833	E605-R810 IonicContact OE1-CZ 2.68Å; E605-R810 IonicContact OE1-NE 2.92Å; E605-R810 PolarHBondContact OE1-NE 2.92Å; E605-R810 IonicContact OE1-NH2 2.76Å; E605-R810 PolarHBondContact OE1-NH2 3.42Å; E605-R810 VanDerWaalsContact OE1-NH2 3.17Å; R810-E833 IonicContact CZ-OE1 3.96Å; R810-E833 VanDerWaalsContact CZ-OE1 3.23Å; R810-E833 IonicContact NH1-OE1 2.73Å; R810-E833 PolarHBondContact NH1-OE1 3.5Å; R810-E833 IonicContact NH2-OE1 3.25Å; R810-E833 PolarHBondContact NH2-OE1 2.93Å
811	A	77.3	Confident	86.4	Confident	101 Å²	101	90.9 Å²	90.9	84%	0.835	45%	0.451	S	S	*	.	S	Bend	trans	-75.3	-31.4	-178.1	0	0	0	0	0	113	V813	A811-V813 PolarHBondContact O-N 3.45Å
812	N	90.7	Very high	86.1	Confident	80 Å²	80	85.7 Å²	85.7	43%	0.428	43%	0.429	S	S	.	.			trans	-93.6	90.9	-174.5	-63.8	-18	0	0	0	110.7	T832	N812-T832 HydrophobicContact CB-CG2 3.76Å; N812-T832 VanDerWaalsContact CB-O 3.24Å; N812-T832 WeakPolarHBondContact CB-O 3.44Å; N812-T832 PolarHBondContact O-N 2.93Å; N812-T832 VanDerWaalsContact O-N 3.11Å
813	V	92	Very high	85.6	Confident	38 Å²	38	90.4 Å²	90.4	23%	0.23	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.1	177.7	175.2	0	0	0	0	110.5	L808 A811 K829 L830	L808-V813 HydrophobicContact CD1-CB 4.3Å; L808-V813 HydrophobicContact CD1-CG1 4.43Å; L808-V813 HydrophobicContact CD1-CG2 4.05Å; A811-V813 PolarHBondContact O-N 3.45Å; V813-K829 HydrophobicContact CG1-CB 3.85Å; V813-L830 CarbonylContact C-O 3.53Å; V813-L830 WeakPolarHBondContact CA-O 3.44Å; V813-L830 WeakPolarHBondContact CG1-O 3.35Å
814	I	93.3	Very high	85.1	Confident	52 Å²	52	90 Å²	90	27%	0.267	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.7	175.2	-60.3	176.6	0	0	0	108.6	T657 K816 L830 T832	T657-I814 HydrophobicContact CG2-CD1 4.2Å; I814-K816 HydrophobicContact CG2-CG 4.28Å; I814-L830 PolarHBondContact N-O 2.85Å; I814-L830 PolarHBondContact O-N 2.96Å; I814-T832 HydrophobicContact CD1-CG2 3.78Å; I814-T832 HydrophobicContact CG1-CG2 3.8Å
815	K	92.1	Very high	84.7	Confident	150 Å²	150	85.1 Å²	85.1	65%	0.652	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.8	171.4	-63.8	-178.3	-175.6	178.7	0	109.2	T827 R828	K815-T827 HydrophobicContact CB-CG2 4.25Å; K815-R828 CarbonylContact C-O 3.56Å; K815-R828 WeakPolarHBondContact CA-O 3.46Å
816	K	91	Very high	84.7	Confident	44 Å²	44	79.4 Å²	79.4	19%	0.191	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	172.6	-72.1	-161.5	166.4	-167	0	110	D651 T653 I814 T827 R828 L830	D651-K816 WeakPolarHBondContact OD1-CD 3.39Å; D651-K816 VanDerWaalsContact OD1-CE 3.24Å; D651-K816 WeakPolarHBondContact OD1-CE 3.43Å; D651-K816 IonicContact OD1-NZ 2.7Å; D651-K816 PolarHBondContact OD1-NZ 3.15Å; D651-K816 IonicContact OD2-NZ 3.47Å; D651-K816 PolarHBondContact OD2-NZ 3.46Å; T653-K816 PolarHBondContact OG1-NZ 3.02Å; I814-K816 HydrophobicContact CG2-CG 4.28Å; K816-T827 CarbonylContact O-C 3.58Å; K816-T827 WeakPolarHBondContact O-CA 3.4Å; K816-T827 WeakPolarHBondContact O-CB 3.34Å; K816-R828 PolarHBondContact N-O 2.87Å; K816-R828 PolarHBondContact O-N 3.2Å; K816-L830 HydrophobicContact CB-CD1 4.42Å; K816-L830 HydrophobicContact CD-CD2 4.38Å
817	P	89.6	Confident	84.8	Confident	46 Å²	46	78.1 Å²	78.1	30%	0.299	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	145.2	-178.5	28.1	-34.8	0	0	0	111.5	D819	P817-D819 VanDerWaalsContact C-N 3.33Å; P817-D819 WeakPolarHBondContact CB-O 3.41Å
818	L	84.8	Confident	85.1	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.131	39%	0.394	C	S	.	.	S	Bend	trans	-74.9	-27.8	171.2	-73.5	174.2	0	0	0	111.8	P580 P826 R828	P580-L818 HydrophobicContact CB-CD1 3.77Å; P580-L818 HydrophobicContact CG-CD1 4.08Å; L818-P826 WeakPolarHBondContact CB-O 3.49Å; L818-P826 HydrophobicContact CD1-CB 3.95Å; L818-P826 HydrophobicContact CD1-CG 3.99Å; L818-P826 WeakPolarHBondContact CG-O 3.42Å; L818-P826 PolarHBondContact N-O 2.68Å; L818-R828 HydrophobicContact CD2-CG 3.43Å; L818-R828 VanDerWaalsContact CD2-CG 3.43Å; L818-R828 HydrophobicContact CG-CG 4.25Å
819	D	81.6	Confident	85.4	Confident	44 Å²	44	69.4 Å²	69.4	24%	0.235	39%	0.391	C	S	.	.	S	Bend	trans	-116.8	112.8	170.6	-163.4	-10.6	0	0	0	110.1	L573 P817 L821 D822 R964	L573-D819 HydrophobicContact CD1-CB 3.65Å; P817-D819 VanDerWaalsContact C-N 3.33Å; P817-D819 WeakPolarHBondContact CB-O 3.41Å; D819-L821 PolarHBondContact O-N 3.42Å; D819-L821 PolarHBondContact OD1-N 2.79Å; D819-D822 HydrophobicContact CB-CB 4.27Å; D819-D822 CarbonylContact O-C 3.58Å; D819-D822 PolarHBondContact O-N 3.4Å; D819-R964 IonicContact OD1-NH2 3.73Å; D819-R964 PolarHBondContact OD1-NH2 2.93Å; D819-R964 IonicContact OD2-NH2 2.71Å
820	P	75.7	Confident	85.6	Confident	72 Å²	72	65.5 Å²	65.5	47%	0.468	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.1	177	-23	33.7	0	0	0	114.3	T970	P820-T970 HydrophobicContact CG-CG2 3.75Å
821	L	77.7	Confident	86.2	Confident	165 Å²	165	63 Å²	63	86%	0.864	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.4	178.2	-61.7	175.5	0	0	0	113.4	D819	D819-L821 PolarHBondContact O-N 3.42Å; D819-L821 PolarHBondContact OD1-N 2.79Å
822	D	80.8	Confident	87	Confident	64 Å²	64	59.3 Å²	59.3	34%	0.342	33%	0.329	S	S	.	.			trans	-130	83.8	178.7	-178.6	14.6	0	0	0	111.1	D819 S824 G825	D819-D822 HydrophobicContact CB-CB 4.27Å; D819-D822 CarbonylContact O-C 3.58Å; D819-D822 PolarHBondContact O-N 3.4Å; D822-S824 PolarHBondContact O-N 2.89Å; D822-S824 VanDerWaalsContact O-N 3.16Å; D822-S824 PolarHBondContact OD1-N 3.42Å; D822-S824 VanDerWaalsContact OD1-N 3.13Å; D822-S824 PolarHBondContact OD1-OG 3.48Å; D822-G825 PolarHBondContact O-N 2.79Å; D822-G825 PolarHBondContact OD1-N 3.18Å; D822-G825 VanDerWaalsContact OD1-N 3.13Å; D822-G825 WeakPolarHBondContact OD2-CA 3.03Å; D822-G825 PolarHBondContact OD2-N 2.75Å
823	D	74.9	Confident	87.2	Confident	139 Å²	139	57.6 Å²	57.6	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.1	176.2	-75.9	-27.5	0	0	0	113.4
824	S	76	Confident	87.1	Confident	113 Å²	113	59.6 Å²	59.6	79%	0.79	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-9.5	177.8	71	0	0	0	0	113.5	D822	D822-S824 PolarHBondContact O-N 2.89Å; D822-S824 VanDerWaalsContact O-N 3.16Å; D822-S824 PolarHBondContact OD1-N 3.42Å; D822-S824 VanDerWaalsContact OD1-N 3.13Å; D822-S824 PolarHBondContact OD1-OG 3.48Å
825	G	80.3	Confident	87	Confident	17 Å²	17	65 Å²	65	18%	0.175	36%	0.356	C	S	.	.	S	Bend	trans	-77.4	-172.6	-176.8	0	0	0	0	0	114.3	D822	D822-G825 PolarHBondContact O-N 2.79Å; D822-G825 PolarHBondContact OD1-N 3.18Å; D822-G825 VanDerWaalsContact OD1-N 3.13Å; D822-G825 WeakPolarHBondContact OD2-CA 3.03Å; D822-G825 PolarHBondContact OD2-N 2.75Å
826	P	84.6	Confident	87.1	Confident	57 Å²	57	59.5 Å²	59.5	37%	0.37	33%	0.332	S	S	.	.			trans	-66.8	142.5	-179	27.1	-33.7	0	0	0	112.3	P580 L818	P580-P826 HydrophobicContact CB-CB 3.97Å; P580-P826 HydrophobicContact CB-CG 3.88Å; P580-P826 HydrophobicContact CG-CB 3.31Å; P580-P826 HydrophobicContact CG-CG 3.78Å; L818-P826 WeakPolarHBondContact CB-O 3.49Å; L818-P826 HydrophobicContact CD1-CB 3.95Å; L818-P826 HydrophobicContact CD1-CG 3.99Å; L818-P826 WeakPolarHBondContact CG-O 3.42Å; L818-P826 PolarHBondContact N-O 2.68Å
827	T	90.2	Very high	87.4	Confident	46 Å²	46	65.5 Å²	65.5	28%	0.282	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.8	-173.2	65.5	0	0	0	0	112.7	K815 K816	K815-T827 HydrophobicContact CB-CG2 4.25Å; K816-T827 CarbonylContact O-C 3.58Å; K816-T827 WeakPolarHBondContact O-CA 3.4Å; K816-T827 WeakPolarHBondContact O-CB 3.34Å
828	R	92.4	Very high	87.7	Confident	9 Å²	9	65.1 Å²	65.1	3%	0.034	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141	160.8	-61.6	171.1	59.8	-147.2	4.2	109.8	E659 K815 K816 L818 L830 R966 S967	E659-R828 IonicContact OE2-CZ 2.81Å; E659-R828 VanDerWaalsContact OE2-CZ 3.24Å; E659-R828 IonicContact OE2-NE 2.72Å; E659-R828 PolarHBondContact OE2-NE 3.46Å; E659-R828 IonicContact OE2-NH2 3.68Å; E659-R828 PolarHBondContact OE2-NH2 3.2Å; K815-R828 CarbonylContact C-O 3.56Å; K815-R828 WeakPolarHBondContact CA-O 3.46Å; K816-R828 PolarHBondContact N-O 2.87Å; K816-R828 PolarHBondContact O-N 3.2Å; L818-R828 HydrophobicContact CD2-CG 3.43Å; L818-R828 VanDerWaalsContact CD2-CG 3.43Å; L818-R828 HydrophobicContact CG-CG 4.25Å; R828-L830 HydrophobicContact CB-CD1 3.53Å; R828-R966 PolarHBondContact NH2-O 2.63Å; R828-S967 PolarHBondContact NH1-O 3.39Å
829	K	93.5	Very high	88.2	Confident	59 Å²	59	66.6 Å²	66.6	26%	0.257	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	102.8	179.1	-63.2	176.9	-169.9	170.3	0	108.7	N601 N773 V813	N601-K829 PolarHBondContact ND2-O 2.67Å; N773-K829 PolarHBondContact OD1-NZ 3.32Å; V813-K829 HydrophobicContact CG1-CB 3.85Å
830	L	95.4	Very high	88.9	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145	-176.5	-74.7	70.9	0	0	0	110.2	D651 T657 F658 E659 V813 I814 K816 R828	D651-L830 HydrophobicContact CB-CD2 3.9Å; D651-L830 WeakPolarHBondContact OD1-CD2 3.12Å; T657-L830 HydrophobicContact CG2-CB 3.77Å; T657-L830 HydrophobicContact CG2-CD2 3.87Å; T657-L830 HydrophobicContact CG2-CG 4.47Å; F658-L830 CarbonylContact O-C 3.37Å; F658-L830 WeakPolarHBondContact O-CA 3.41Å; E659-L830 HydrophobicContact CB-CG 4.07Å; V813-L830 CarbonylContact C-O 3.53Å; V813-L830 WeakPolarHBondContact CA-O 3.44Å; V813-L830 WeakPolarHBondContact CG1-O 3.35Å; I814-L830 PolarHBondContact N-O 2.85Å; I814-L830 PolarHBondContact O-N 2.96Å; K816-L830 HydrophobicContact CB-CD1 4.42Å; K816-L830 HydrophobicContact CD-CD2 4.38Å; R828-L830 HydrophobicContact CB-CD1 3.53Å
831	I	95.8	Very high	89.9	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.3	171.7	-71.2	167.1	0	0	0	108.5	N601 T657 F658 Q660	N601-I831 VanDerWaalsContact OD1-CD1 3.25Å; N601-I831 WeakPolarHBondContact OD1-CD1 3.46Å; T657-I831 CarbonylContact C-O 3.54Å; T657-I831 VanDerWaalsContact CA-O 3.23Å; T657-I831 WeakPolarHBondContact CA-O 3.28Å; F658-I831 HydrophobicContact CE1-CB 4.23Å; F658-I831 HydrophobicContact CE1-CG2 3.92Å; F658-I831 HydrophobicContact CZ-CB 4.27Å; F658-I831 HydrophobicContact CZ-CG2 4.1Å; F658-I831 PolarHBondContact N-O 3.22Å; F658-I831 PolarHBondContact O-N 2.96Å; Q660-I831 HydrophobicContact CG-CD1 3.88Å
832	T	95.5	Very high	90.8	Very high	23 Å²	23	63 Å²	63	14%	0.141	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.7	173	-171.4	0	0	0	0	110.9	D656 T657 N812 I814 P834	D656-T832 WeakPolarHBondContact O-CA 3.4Å; T657-T832 VanDerWaalsContact OG1-CB 3.31Å; T657-T832 WeakPolarHBondContact OG1-CB 3.33Å; T657-T832 PolarHBondContact OG1-OG1 3Å; N812-T832 HydrophobicContact CB-CG2 3.76Å; N812-T832 VanDerWaalsContact CB-O 3.24Å; N812-T832 WeakPolarHBondContact CB-O 3.44Å; N812-T832 PolarHBondContact O-N 2.93Å; N812-T832 VanDerWaalsContact O-N 3.11Å; I814-T832 HydrophobicContact CD1-CG2 3.78Å; I814-T832 HydrophobicContact CG1-CG2 3.8Å; T832-P834 WeakPolarHBondContact O-CD 3.29Å
833	E	94.2	Very high	91.6	Very high	45 Å²	45	60.2 Å²	60.2	21%	0.21	33%	0.327	C	S	.	.			trans	-119	79.1	175.8	-67.6	-168.5	-145.9	0	0	110.4	D656 P728 R810 H835 F836	D656-E833 WeakPolarHBondContact CB-O 3.11Å; D656-E833 PolarHBondContact O-N 2.9Å; P728-E833 HydrophobicContact CB-CG 4.41Å; P728-E833 HydrophobicContact CG-CB 3.91Å; P728-E833 HydrophobicContact CG-CG 4.27Å; R810-E833 IonicContact CZ-OE1 3.96Å; R810-E833 VanDerWaalsContact CZ-OE1 3.23Å; R810-E833 IonicContact NH1-OE1 2.73Å; R810-E833 PolarHBondContact NH1-OE1 3.5Å; R810-E833 IonicContact NH2-OE1 3.25Å; R810-E833 PolarHBondContact NH2-OE1 2.93Å; E833-H835 PolarHBondContact O-N 2.94Å; E833-F836 HydrophobicContact CB-CB 4.02Å; E833-F836 WeakPolarHBondContact O-CB 3.28Å; E833-F836 PolarHBondContact O-N 3.36Å
834	P	89.1	Confident	92.7	Very high	79 Å²	79	53.9 Å²	53.9	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.8	-172.8	28.6	-36.8	0	0	0	114	T832	T832-P834 WeakPolarHBondContact O-CD 3.29Å
835	H	92.3	Very high	93.6	Very high	165 Å²	165	48.7 Å²	48.7	76%	0.764	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	11.6	178.2	-55.8	-50.7	0	0	0	112.6	E833 Q837	E833-H835 PolarHBondContact O-N 2.94Å; H835-Q837 PolarHBondContact O-N 3.42Å
836	F	94.9	Very high	94.2	Very high	36 Å²	36	53.1 Å²	53.1	16%	0.158	27%	0.272	C	S	.	.			trans	-61	126.1	173.8	-178.3	-94.5	0	0	0	109.7	D656 P728 E833 P838	D656-F836 HydrophobicContact CB-CB 4.49Å; P728-F836 HydrophobicContact CB-CD2 4.43Å; P728-F836 HydrophobicContact CG-CB 3.94Å; P728-F836 HydrophobicContact CG-CD1 4.21Å; P728-F836 HydrophobicContact CG-CD2 3.66Å; P728-F836 HydrophobicContact CG-CE2 4.19Å; P728-F836 HydrophobicContact CG-CG 3.66Å; E833-F836 HydrophobicContact CB-CB 4.02Å; E833-F836 WeakPolarHBondContact O-CB 3.28Å; E833-F836 PolarHBondContact O-N 3.36Å; F836-P838 HydrophobicContact CE1-CB 4.08Å
837	Q	96.3	Very high	94.5	Very high	170 Å²	170	51.3 Å²	51.3	79%	0.794	26%	0.259	S	S	*	.			trans	-107.6	108.4	176.5	-69.1	-172.3	-10	0	0	108.5	H835 C839	H835-Q837 PolarHBondContact O-N 3.42Å; Q837-C839 PolarHBondContact O-N 3.23Å
838	P	96.3	Very high	94.3	Very high	38 Å²	38	51.4 Å²	51.4	25%	0.247	26%	0.26	C	S	.	.			trans	-63.9	135.3	175.7	27.8	-33.7	0	0	0	109.7	H725 F836 T1003	H725-P838 WeakPolarHBondContact O-CA 3.37Å; F836-P838 HydrophobicContact CE1-CB 4.08Å; P838-T1003 HydrophobicContact CB-CG2 4.08Å
839	C	95.4	Very high	94.1	Very high	56 Å²	56	52 Å²	52	38%	0.378	26%	0.263	S	S	.	.			trans	-124.4	146.8	-179.9	72.5	0	0	0	0	112.2	H725 Q837 T1003	H725-C839 WeakPolarHBondContact CB-O 3.39Å; H725-C839 VanDerWaalsContact CB-SG 3.57Å; H725-C839 PolarHBondContact O-N 3.29Å; H725-C839 VanDerWaalsContact O-N 3.17Å; Q837-C839 PolarHBondContact O-N 3.23Å; C839-T1003 VanDerWaalsContact C-CG2 3.45Å
840	Q	95.5	Very high	93.7	Very high	116 Å²	116	51.1 Å²	51.1	54%	0.542	26%	0.263	S	S	.	.			trans	-80	134.4	178.3	175	168.9	3.1	0	0	110.4	T1003 C1004	Q840-T1003 HydrophobicContact CB-CG2 4.37Å; Q840-C1004 VanDerWaalsContact CA-O 3.23Å; Q840-C1004 WeakPolarHBondContact CA-O 3.49Å; Q840-C1004 WeakPolarHBondContact CB-O 3.27Å; Q840-C1004 VanDerWaalsContact CG-O 3.3Å; Q840-C1004 WeakPolarHBondContact CG-O 3.49Å
841	M	96.6	Very high	93.5	Very high	53 Å²	53	51.1 Å²	51.1	26%	0.261	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.3	178.4	-164.4	57.3	66.7	0	0	110.8	G1005 V1006 I1023	M841-G1005 CarbonylContact O-C 3.59Å; M841-G1005 WeakPolarHBondContact O-CA 3.4Å; M841-V1006 PolarHBondContact O-N 2.76Å; M841-I1023 HydrophobicContact CE-CD1 4.2Å; M841-I1023 HydrophobicContact CG-CD1 4.38Å; M841-I1023 HydrophobicContact SD-CD1 3.23Å; M841-I1023 WeakPolarHBondContact SD-CD1 3.45Å; M841-I1023 HydrophobicContact SD-CG1 3.93Å
842	K	97.6	Very high	93.5	Very high	36 Å²	36	51.5 Å²	51.5	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	168.9	-53.1	-176.1	-173.4	164.9	0	109.4	V1006 D1019 T1021 W1022 I1023	K842-V1006 CarbonylContact C-O 3.56Å; K842-V1006 WeakPolarHBondContact CA-O 3.4Å; K842-V1006 HydrophobicContact CB-CB 4.33Å; K842-V1006 HydrophobicContact CG-CB 4.09Å; K842-V1006 HydrophobicContact CG-CG2 4.28Å; K842-D1019 IonicContact NZ-OD2 3.28Å; K842-T1021 PolarHBondContact NZ-OG1 2.94Å; K842-W1022 HydrophobicContact CB-CD2 3.64Å; K842-W1022 HydrophobicContact CB-CE3 3.62Å; K842-W1022 HydrophobicContact CB-CG 4.12Å; K842-W1022 HydrophobicContact CB-CH2 4.38Å; K842-W1022 HydrophobicContact CB-CZ2 4.41Å; K842-W1022 HydrophobicContact CB-CZ3 4.01Å; K842-W1022 HydrophobicContact CD-CD2 4.07Å; K842-W1022 HydrophobicContact CD-CG 4.34Å; K842-W1022 HydrophobicContact CD-CZ2 4.05Å; K842-I1023 PolarHBondContact O-N 3.05Å
843	T	97.9	Very high	93.6	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.2	-178.2	-54.5	0	0	0	0	110.6	R721 F845 V1006 A1007 I1008 W1022 I1023 K1025	R721-T843 HydrophobicContact CG-CG2 4.22Å; T843-F845 HydrophobicContact CG2-CD2 4.19Å; T843-F845 HydrophobicContact CG2-CE1 4.21Å; T843-F845 HydrophobicContact CG2-CE2 3.83Å; T843-F845 HydrophobicContact CG2-CZ 3.83Å; T843-V1006 PolarHBondContact N-O 2.91Å; T843-A1007 CarbonylContact O-C 3.56Å; T843-A1007 VanDerWaalsContact O-CA 3.23Å; T843-A1007 WeakPolarHBondContact O-CA 3.33Å; T843-I1008 PolarHBondContact O-N 3.35Å; T843-W1022 WeakPolarHBondContact O-CZ3 3.23Å; T843-I1023 WeakPolarHBondContact CA-O 3.27Å; T843-K1025 HydrophobicContact CG2-CB 4.22Å; T843-K1025 HydrophobicContact CG2-CG 3.87Å
844	F	97.6	Very high	93.8	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.1	172.5	178.5	-98.7	0	0	0	108.9	Q846 I1008 G1010 P1011 I1016 W1022 I1023 L1024 K1025	F844-Q846 HydrophobicContact CD1-CB 4.5Å; F844-Q846 HydrophobicContact CE1-CB 3.85Å; F844-Q846 HydrophobicContact CE1-CG 4.42Å; F844-I1008 HydrophobicContact CD2-CB 3.82Å; F844-I1008 HydrophobicContact CD2-CG2 3.74Å; F844-I1008 HydrophobicContact CE2-CB 4.32Å; F844-I1008 HydrophobicContact CE2-CG2 3.71Å; F844-G1010 WeakPolarHBondContact CZ-O 3.35Å; F844-P1011 WeakPolarHBondContact CZ-O 3.3Å; F844-I1016 HydrophobicContact CB-CG2 3.75Å; F844-I1016 HydrophobicContact CD1-CG2 4.32Å; F844-I1016 HydrophobicContact CD2-CD1 3.63Å; F844-I1016 HydrophobicContact CD2-CG2 4.09Å; F844-I1016 HydrophobicContact CE2-CD1 3.97Å; F844-I1016 HydrophobicContact CG-CD1 4.4Å; F844-I1016 HydrophobicContact CG-CG2 3.78Å; F844-W1022 HydrophobicContact CB-CE3 3.85Å; F844-W1022 HydrophobicContact CB-CZ3 4.29Å; F844-I1023 PolarHBondContact N-O 3.3Å; F844-L1024 HydrophobicContact CB-CD2 4.02Å; F844-L1024 HydrophobicContact CD1-CD2 3.93Å; F844-L1024 HydrophobicContact CG-CD2 4.35Å; F844-K1025 PolarHBondContact O-N 3.04Å
845	F	95.3	Very high	94.2	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.1	171	-62.8	-78.3	0	0	0	108.6	R721 M739 T843 M847 I1008 L1009 G1010 K1025	R721-F845 HydrophobicContact CB-CE2 4.07Å; R721-F845 HydrophobicContact CG-CE2 3.74Å; R721-F845 HydrophobicContact CG-CZ 4.03Å; M739-F845 HydrophobicContact CB-CE1 4Å; M739-F845 HydrophobicContact CB-CE2 4.41Å; M739-F845 HydrophobicContact CB-CZ 3.76Å; M739-F845 HydrophobicContact CG-CE1 4.24Å; M739-F845 HydrophobicContact CG-CE2 3.99Å; M739-F845 HydrophobicContact CG-CZ 3.84Å; T843-F845 HydrophobicContact CG2-CD2 4.19Å; T843-F845 HydrophobicContact CG2-CE1 4.21Å; T843-F845 HydrophobicContact CG2-CE2 3.83Å; T843-F845 HydrophobicContact CG2-CZ 3.83Å; F845-M847 HydrophobicContact CB-CG 4.36Å; F845-M847 HydrophobicContact CB-SD 4.5Å; F845-M847 PolarHBondContact O-N 3.48Å; F845-I1008 PolarHBondContact N-O 3Å; F845-L1009 HydrophobicContact CB-CG 4.04Å; F845-L1009 HydrophobicContact CD2-CD1 3.68Å; F845-L1009 HydrophobicContact CD2-CG 3.91Å; F845-L1009 HydrophobicContact CE2-CD1 4.27Å; F845-L1009 HydrophobicContact CG-CG 4.34Å; F845-G1010 PolarHBondContact O-N 2.71Å; F845-K1025 HydrophobicContact CD1-CB 3.62Å; F845-K1025 HydrophobicContact CE1-CB 3.83Å; F845-K1025 HydrophobicContact CE1-CG 4.37Å; F845-K1025 HydrophobicContact CG-CB 4.48Å
846	Q	93.1	Very high	94.5	Very high	111 Å²	111	37.7 Å²	37.7	52%	0.519	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	115.5	174.4	-175.3	172.1	-17	0	0	108.7	F844 K1025	F844-Q846 HydrophobicContact CD1-CB 4.5Å; F844-Q846 HydrophobicContact CE1-CB 3.85Å; F844-Q846 HydrophobicContact CE1-CG 4.42Å; Q846-K1025 PolarHBondContact N-O 3.43Å
847	M	89.6	Confident	94.6	Very high	19 Å²	19	36 Å²	36	9%	0.094	19%	0.185	C	C	.	.			trans	-123.4	146	-179	-60	-60.7	-65.7	0	0	109.7	L315 I710 F845 F849 L1009 G1010 P1011	L315-M847 HydrophobicContact CD1-CE 3.88Å; I710-M847 HydrophobicContact CG2-CE 4.09Å; F845-M847 HydrophobicContact CB-CG 4.36Å; F845-M847 HydrophobicContact CB-SD 4.5Å; F845-M847 PolarHBondContact O-N 3.48Å; M847-F849 HydrophobicContact CB-CD1 4.24Å; M847-F849 HydrophobicContact CB-CD2 3.4Å; M847-F849 VanDerWaalsContact CB-CD2 3.4Å; M847-F849 HydrophobicContact CB-CE1 4.31Å; M847-F849 HydrophobicContact CB-CE2 3.5Å; M847-F849 HydrophobicContact CB-CG 3.8Å; M847-F849 HydrophobicContact CB-CZ 3.97Å; M847-F849 HydrophobicContact CE-CE1 4.24Å; M847-F849 HydrophobicContact CE-CE2 3.93Å; M847-F849 HydrophobicContact CE-CZ 3.53Å; M847-F849 HydrophobicContact CG-CD2 4.05Å; M847-F849 HydrophobicContact CG-CE2 3.73Å; M847-F849 HydrophobicContact CG-CZ 4.27Å; M847-F849 PolarHBondContact O-N 2.92Å; M847-L1009 HydrophobicContact CG-CB 4.19Å; M847-G1010 PolarHBondContact N-O 3.1Å; M847-G1010 CarbonylContact O-C 3.49Å; M847-P1011 WeakPolarHBondContact O-CA 3.43Å
848	P	85.7	Confident	94.7	Very high	48 Å²	48	28.2 Å²	28.2	31%	0.312	15%	0.149	S	C	.	.	S	Bend	trans	-76.6	60.5	175.2	34.4	-35.9	0	0	0	110.3	L508	L508-P848 HydrophobicContact CD1-CB 3.8Å; L508-P848 VanDerWaalsContact CD1-O 3.31Å; L508-P848 WeakPolarHBondContact CD1-O 3.28Å
849	F	87.9	Confident	94.8	Very high	20 Å²	20	28.3 Å²	28.3	9%	0.088	15%	0.145	C	C	.	.			trans	-113.1	144.8	-179.2	-61.5	-24.7	0	0	0	110.8	I710 M847 V851 F853 P1011	I710-F849 HydrophobicContact CG2-CE2 4.1Å; I710-F849 HydrophobicContact CG2-CZ 3.9Å; M847-F849 HydrophobicContact CB-CD1 4.24Å; M847-F849 HydrophobicContact CB-CD2 3.4Å; M847-F849 VanDerWaalsContact CB-CD2 3.4Å; M847-F849 HydrophobicContact CB-CE1 4.31Å; M847-F849 HydrophobicContact CB-CE2 3.5Å; M847-F849 HydrophobicContact CB-CG 3.8Å; M847-F849 HydrophobicContact CB-CZ 3.97Å; M847-F849 HydrophobicContact CE-CE1 4.24Å; M847-F849 HydrophobicContact CE-CE2 3.93Å; M847-F849 HydrophobicContact CE-CZ 3.53Å; M847-F849 HydrophobicContact CG-CD2 4.05Å; M847-F849 HydrophobicContact CG-CE2 3.73Å; M847-F849 HydrophobicContact CG-CZ 4.27Å; M847-F849 PolarHBondContact O-N 2.92Å; F849-V851 WeakPolarHBondContact CB-O 3.44Å; F849-V851 PolarHBondContact O-N 2.64Å; F849-F853 HydrophobicContact CD2-CD2 4.23Å; F849-F853 AromaticContact CD2-CE2 3.78Å; F849-F853 HydrophobicContact CD2-CE2 3.78Å; F849-F853 HydrophobicContact CE2-CD2 4.39Å; F849-F853 AromaticContact CE2-CE2 3.96Å; F849-F853 HydrophobicContact CE2-CE2 3.96Å; F849-P1011 WeakPolarHBondContact O-CB 3.41Å; F849-P1011 VanDerWaalsContact O-CD 3.28Å; F849-P1011 WeakPolarHBondContact O-CD 3.29Å; F849-P1011 WeakPolarHBondContact O-CG 3.37Å
850	P	85.7	Confident	94.9	Very high	41 Å²	41	26.2 Å²	26.2	27%	0.266	13%	0.13	S	C	.	.	S	Bend	trans	-78.3	-5.7	172.9	32.7	-35	0	0	0	113	K204	K204-P850 WeakPolarHBondContact O-CG 3.4Å
851	V	91.3	Very high	95.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.107	C	C	.	.	S	Bend	trans	-138.9	168.7	-176.3	-65	0	0	0	0	110.9	F849 R912 P1011	F849-V851 WeakPolarHBondContact CB-O 3.44Å; F849-V851 PolarHBondContact O-N 2.64Å; V851-R912 HydrophobicContact CG2-CB 4.19Å; V851-R912 HydrophobicContact CG2-CG 4.36Å; V851-P1011 WeakPolarHBondContact O-CD 3.36Å
852	N	95.4	Very high	95.1	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.048	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	157.6	-178.6	-54.5	-89.9	0	0	0	112.4	V854 R912 D913 P914 N915 L1009	N852-V854 HydrophobicContact CB-CG2 4.22Å; N852-R912 PolarHBondContact O-N 3.09Å; N852-D913 WeakPolarHBondContact CA-O 3.36Å; N852-D913 HydrophobicContact CB-CB 4.46Å; N852-D913 WeakPolarHBondContact CB-O 3.39Å; N852-D913 PolarHBondContact N-O 3.35Å; N852-D913 PolarHBondContact ND2-O 3.29Å; N852-D913 PolarHBondContact O-N 2.88Å; N852-P914 PolarHBondContact ND2-O 2.89Å; N852-N915 WeakPolarHBondContact CB-O 3.37Å; N852-N915 PolarHBondContact ND2-O 3.21Å; N852-L1009 CarbonylContact C-O 3.51Å; N852-L1009 WeakPolarHBondContact CA-O 3.34Å
853	F	97.4	Very high	95	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.7	165.3	-53.6	-84.1	0	0	0	108.4	S711 H715 F849 Y911 R912 I1008 L1009	S711-F853 WeakPolarHBondContact O-CZ 3.24Å; H715-F853 HydrophobicContact CB-CD1 4.36Å; F849-F853 HydrophobicContact CD2-CD2 4.23Å; F849-F853 AromaticContact CD2-CE2 3.78Å; F849-F853 HydrophobicContact CD2-CE2 3.78Å; F849-F853 HydrophobicContact CE2-CD2 4.39Å; F849-F853 AromaticContact CE2-CE2 3.96Å; F849-F853 HydrophobicContact CE2-CE2 3.96Å; F853-Y911 AromaticContact CD1-CD2 3.54Å; F853-Y911 HydrophobicContact CD1-CD2 3.54Å; F853-Y911 HydrophobicContact CD1-CE2 4.04Å; F853-Y911 HydrophobicContact CD1-CG 4.31Å; F853-Y911 AromaticContact CE1-CD2 3.37Å; F853-Y911 HydrophobicContact CE1-CD2 3.37Å; F853-Y911 AromaticContact CE1-CE2 3.43Å; F853-Y911 HydrophobicContact CE1-CE2 3.43Å; F853-Y911 VanDerWaalsContact CE1-CE2 3.43Å; F853-Y911 HydrophobicContact CE1-CG 4.17Å; F853-Y911 HydrophobicContact CZ-CE2 4.44Å; F853-R912 HydrophobicContact CE1-CG 4.17Å; F853-R912 HydrophobicContact CZ-CG 4.46Å; F853-I1008 VanDerWaalsContact O-CA 3.31Å; F853-I1008 WeakPolarHBondContact O-CA 3.28Å; F853-L1009 HydrophobicContact CB-CB 4.34Å; F853-L1009 HydrophobicContact CD2-CB 4.14Å; F853-L1009 PolarHBondContact N-O 2.74Å; F853-L1009 PolarHBondContact O-N 3.25Å
854	V	98.4	Very high	94.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.2	-172	-175.4	0	0	0	0	109.5	N852 Y909 S910 T919 L920 F923 I1008	N852-V854 HydrophobicContact CB-CG2 4.22Å; V854-Y909 CarbonylContact O-C 3.57Å; V854-Y909 WeakPolarHBondContact O-CA 3.47Å; V854-S910 WeakPolarHBondContact CB-OG 3.32Å; V854-S910 PolarHBondContact N-O 2.8Å; V854-S910 PolarHBondContact O-N 3.05Å; V854-T919 HydrophobicContact CB-CG2 4.32Å; V854-T919 HydrophobicContact CG1-CG2 4.37Å; V854-L920 HydrophobicContact CG1-CD2 3.5Å; V854-L920 HydrophobicContact CG1-CG 3.94Å; V854-F923 HydrophobicContact CG1-CE2 3.95Å; V854-F923 HydrophobicContact CG1-CZ 4.34Å; V854-I1008 HydrophobicContact CB-CG1 4.38Å; V854-I1008 HydrophobicContact CG1-CD1 4.24Å; V854-I1008 HydrophobicContact CG1-CG1 3.99Å; V854-I1008 HydrophobicContact CG2-CD1 4.39Å; V854-I1008 HydrophobicContact CG2-CG1 4.2Å; V854-I1008 HydrophobicContact CG2-CG2 4.45Å
855	S	98.3	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.8	168.3	-175.6	0	0	0	0	113	M719 F908 V1006 A1007	M719-S855 WeakPolarHBondContact CG-OG 3.39Å; S855-F908 VanDerWaalsContact CA-O 3.26Å; S855-F908 WeakPolarHBondContact CA-O 3.43Å; S855-F908 WeakPolarHBondContact CB-O 3.39Å; S855-F908 PolarHBondContact OG-O 2.9Å; S855-V1006 WeakPolarHBondContact O-CA 3.38Å; S855-V1006 WeakPolarHBondContact O-CG1 3.13Å; S855-A1007 PolarHBondContact N-O 3Å; S855-A1007 PolarHBondContact O-N 3.4Å
856	E	98.3	Very high	94.9	Very high	22 Å²	22	30.2 Å²	30.2	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.4	164.5	177.9	167.6	-176.7	0	0	108.5	S907 F908 L920 F923 G1005 V1006	E856-S907 CarbonylContact O-C 3.44Å; E856-S907 WeakPolarHBondContact O-CA 3.38Å; E856-F908 HydrophobicContact CB-CB 4.47Å; E856-F908 HydrophobicContact CB-CD2 4.46Å; E856-F908 PolarHBondContact N-O 2.94Å; E856-F908 PolarHBondContact O-N 3.02Å; E856-L920 HydrophobicContact CB-CD2 4.43Å; E856-F923 HydrophobicContact CB-CD2 3.81Å; E856-F923 HydrophobicContact CB-CE2 4.15Å; E856-G1005 CarbonylContact C-O 3.38Å; E856-G1005 WeakPolarHBondContact CA-O 3.21Å; E856-V1006 HydrophobicContact CB-CG2 4.35Å; E856-V1006 HydrophobicContact CG-CG2 4.11Å
857	S	98.1	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.2	-179.7	-68.1	0	0	0	0	110.6	L726 F906 S907 C1004 G1005	L726-S857 WeakPolarHBondContact CD1-O 3.08Å; S857-F906 CarbonylContact C-O 3.59Å; S857-F906 WeakPolarHBondContact CA-O 3.36Å; S857-S907 PolarHBondContact OG-OG 2.88Å; S857-C1004 CarbonylContact O-C 3.49Å; S857-C1004 WeakPolarHBondContact O-CA 3.43Å; S857-C1004 WeakPolarHBondContact O-CB 3.26Å; S857-G1005 PolarHBondContact N-O 2.96Å; S857-G1005 PolarHBondContact O-N 3.09Å
858	I	98.4	Very high	95.5	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.041	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.3	-173.6	-54.2	179.3	0	0	0	108.5	T860 V905 F906 F908 L997 C1004	I858-T860 HydrophobicContact CG2-CG2 4.28Å; I858-T860 PolarHBondContact O-N 2.88Å; I858-V905 WeakPolarHBondContact O-CA 3.49Å; I858-F906 PolarHBondContact N-O 2.88Å; I858-F906 PolarHBondContact O-N 3.35Å; I858-F908 HydrophobicContact CD1-CD2 4.47Å; I858-F908 HydrophobicContact CD1-CE2 3.84Å; I858-L997 HydrophobicContact CD1-CD2 4.01Å; I858-L997 HydrophobicContact CG2-CD2 4.45Å; I858-C1004 HydrophobicContact CG1-CB 4.02Å
859	R	98	Very high	96.1	Very high	39 Å²	39	23.1 Å²	23.1	15%	0.147	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.8	175.6	-176	-174.7	168.6	101.1	-7.4	109.6	M655 D656 L726 S1002 T1003	M655-R859 VanDerWaalsContact CB-NH2 3.32Å; M655-R859 HydrophobicContact CE-CG 3.81Å; D656-R859 IonicContact OD1-CZ 3.56Å; D656-R859 VanDerWaalsContact OD1-CZ 3.26Å; D656-R859 IonicContact OD1-NH1 2.67Å; D656-R859 PolarHBondContact OD1-NH1 3.16Å; D656-R859 IonicContact OD1-NH2 2.86Å; D656-R859 PolarHBondContact OD1-NH2 2.94Å; D656-R859 IonicContact OD2-CZ 3.79Å; D656-R859 IonicContact OD2-NH1 3.98Å; D656-R859 IonicContact OD2-NH2 3.8Å; D656-R859 PolarHBondContact OD2-NH2 3.36Å; L726-R859 HydrophobicContact CB-CB 4.26Å; L726-R859 WeakPolarHBondContact O-CD 3.47Å; L726-R859 PolarHBondContact O-NH1 3.4Å; R859-S1002 VanDerWaalsContact O-CB 3.27Å; R859-S1002 WeakPolarHBondContact O-CB 3.37Å; R859-S1002 PolarHBondContact O-OG 3.23Å; R859-T1003 PolarHBondContact N-O 3.09Å
860	T	98.1	Very high	96.6	Very high	12 Å²	12	22.9 Å²	22.9	7%	0.074	12%	0.118	C	C	.	.			trans	-126.1	-110.5	179.6	68	0	0	0	0	111.9	I858 L871 M900 G904 F906 Y996 L997	I858-T860 HydrophobicContact CG2-CG2 4.28Å; I858-T860 PolarHBondContact O-N 2.88Å; T860-L871 HydrophobicContact CG2-CD1 4.27Å; T860-M900 WeakPolarHBondContact OG1-CE 3.41Å; T860-G904 WeakPolarHBondContact CA-O 3.49Å; T860-G904 PolarHBondContact N-O 3.04Å; T860-G904 PolarHBondContact OG1-O 2.85Å; T860-F906 HydrophobicContact CG2-CB 3.84Å; T860-Y996 HydrophobicContact CG2-CG 4.35Å; T860-L997 HydrophobicContact CG2-CD2 4.33Å
861	V	98.1	Very high	97.2	Very high	11 Å²	11	20.9 Å²	20.9	7%	0.067	11%	0.105	C	C	.	.			trans	-135.6	152.6	-172.9	-64.1	0	0	0	0	112.6	M655 H865 D867 Y868 L871 M900 G904 Y996	M655-V861 VanDerWaalsContact SD-C 3.56Å; V861-H865 HydrophobicContact CB-CB 3.77Å; V861-H865 HydrophobicContact CG2-CB 3.97Å; V861-D867 HydrophobicContact CG2-CB 4.26Å; V861-Y868 WeakPolarHBondContact O-CD2 3.23Å; V861-L871 HydrophobicContact CG2-CD1 3.74Å; V861-M900 WeakPolarHBondContact O-CE 3.44Å; V861-G904 PolarHBondContact N-O 2.92Å; V861-G904 WeakPolarHBondContact O-CA 3.33Å; V861-Y996 HydrophobicContact CG1-CE1 3.63Å; V861-Y996 HydrophobicContact CG1-CE2 4.48Å; V861-Y996 WeakPolarHBondContact CG1-OH 3.48Å
862	P	96.8	Very high	97.6	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.078	11%	0.109	C	C	.	.			trans	-79.2	167.7	-176.7	33.5	-34.8	0	0	0	112.3	T653 M655 C864 H865	T653-P862 VanDerWaalsContact C-CG 3.42Å; T653-P862 VanDerWaalsContact O-CG 3.32Å; T653-P862 WeakPolarHBondContact O-CG 3.49Å; M655-P862 HydrophobicContact CG-CG 4.44Å; M655-P862 HydrophobicContact SD-CB 4.03Å; M655-P862 HydrophobicContact SD-CG 4.43Å; P862-C864 VanDerWaalsContact C-N 3.35Å; P862-C864 PolarHBondContact O-N 2.73Å; P862-C864 VanDerWaalsContact O-N 3.16Å; P862-H865 HydrophobicContact CG-CB 4.44Å; P862-H865 VanDerWaalsContact O-CB 3.24Å; P862-H865 WeakPolarHBondContact O-CB 3.46Å; P862-H865 PolarHBondContact O-N 2.69Å
863	F	95.6	Very high	97.7	Very high	31 Å²	31	21 Å²	21	14%	0.136	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-44.5	-172.3	175.6	-99.5	0	0	0	115.9	C652 H865 Y868 V969 M973 Y977	C652-F863 HydrophobicContact CB-CB 4.16Å; C652-F863 HydrophobicContact CB-CD1 4.12Å; C652-F863 PolarHBondContact O-N 3.24Å; F863-H865 VanDerWaalsContact C-N 3.29Å; F863-H865 PolarHBondContact O-N 2.69Å; F863-Y868 HydrophobicContact CD2-CD1 4.03Å; F863-Y868 AromaticContact CD2-CE1 3.55Å; F863-Y868 HydrophobicContact CD2-CE1 3.55Å; F863-Y868 HydrophobicContact CE2-CE1 4.21Å; F863-Y868 HydrophobicContact CG-CE1 4.43Å; F863-Y868 WeakPolarHBondContact O-CD1 3.25Å; F863-V969 HydrophobicContact CE1-CG1 4.03Å; F863-V969 HydrophobicContact CZ-CG1 4.3Å; F863-M973 HydrophobicContact CE1-CB 4.41Å; F863-Y977 AromaticContact CE2-CD1 3.68Å; F863-Y977 HydrophobicContact CE2-CD1 3.68Å; F863-Y977 HydrophobicContact CE2-CD2 4.18Å; F863-Y977 HydrophobicContact CE2-CE1 4.06Å; F863-Y977 AromaticContact CE2-CG 3.73Å; F863-Y977 HydrophobicContact CE2-CG 3.73Å; F863-Y977 AromaticContact CZ-CD1 3.89Å; F863-Y977 HydrophobicContact CZ-CD1 3.89Å; F863-Y977 AromaticContact CZ-CG 3.77Å; F863-Y977 HydrophobicContact CZ-CG 3.77Å
864	C	95.1	Very high	97.8	Very high	49 Å²	49	21 Å²	21	33%	0.331	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.8	-176.9	-67.2	0	0	0	0	114.1	C652 T653 P862 M973	C652-C864 VanDerWaalsContact O-CB 3.3Å; C652-C864 WeakPolarHBondContact O-CB 3.39Å; C652-C864 PolarHBondContact O-N 3.35Å; C652-C864 PolarHBondContact O-SG 3.39Å; T653-C864 HydrophobicContact CG2-CB 3.91Å; P862-C864 VanDerWaalsContact C-N 3.35Å; P862-C864 PolarHBondContact O-N 2.73Å; P862-C864 VanDerWaalsContact O-N 3.16Å; C864-M973 WeakPolarHBondContact SG-CE 3.23Å
865	H	97.4	Very high	97.8	Very high	66 Å²	66	21.2 Å²	21.2	31%	0.306	11%	0.108	S	C	.	.	S	Bend	trans	-74	139.7	177.5	-170.7	-88.7	0	0	0	110.5	V861 P862 F863 D867 Y868	V861-H865 HydrophobicContact CB-CB 3.77Å; V861-H865 HydrophobicContact CG2-CB 3.97Å; P862-H865 HydrophobicContact CG-CB 4.44Å; P862-H865 VanDerWaalsContact O-CB 3.24Å; P862-H865 WeakPolarHBondContact O-CB 3.46Å; P862-H865 PolarHBondContact O-N 2.69Å; F863-H865 VanDerWaalsContact C-N 3.29Å; F863-H865 PolarHBondContact O-N 2.69Å; H865-D867 IonicContact CE1-OD2 3.39Å; H865-D867 PolarHBondContact CE1-OD2 3.22Å; H865-D867 WeakPolarHBondContact ND1-CB 3.29Å; H865-D867 PolarHBondContact ND1-N 3.49Å; H865-D867 VanDerWaalsContact ND1-N 3.15Å; H865-D867 IonicContact ND1-OD2 2.81Å; H865-D867 PolarHBondContact O-N 3.48Å; H865-D867 VanDerWaalsContact O-N 3.08Å; H865-Y868 WeakPolarHBondContact O-CB 3.45Å; H865-Y868 PolarHBondContact O-N 2.9Å
866	Q	96.3	Very high	97.7	Very high	135 Å²	135	24.5 Å²	24.5	63%	0.631	12%	0.12	S	C	*	.	H	α-helix	trans	-55	-31.8	-176.8	66.5	-176.9	7.6	0	0	114.1
867	D	98	Very high	97.7	Very high	16 Å²	16	23.5 Å²	23.5	9%	0.086	12%	0.116	C	C	.	.	H	α-helix	trans	-82.2	-10.7	-179.4	-64.7	-18	0	0	0	113.6	V861 H865 A869 S870 L871 V992 R995 Y996	V861-D867 HydrophobicContact CG2-CB 4.26Å; H865-D867 IonicContact CE1-OD2 3.39Å; H865-D867 PolarHBondContact CE1-OD2 3.22Å; H865-D867 WeakPolarHBondContact ND1-CB 3.29Å; H865-D867 PolarHBondContact ND1-N 3.49Å; H865-D867 VanDerWaalsContact ND1-N 3.15Å; H865-D867 IonicContact ND1-OD2 2.81Å; H865-D867 PolarHBondContact O-N 3.48Å; H865-D867 VanDerWaalsContact O-N 3.08Å; D867-A869 VanDerWaalsContact C-N 3.34Å; D867-A869 PolarHBondContact O-N 2.93Å; D867-S870 PolarHBondContact O-N 2.85Å; D867-L871 PolarHBondContact O-N 2.91Å; D867-V992 HydrophobicContact CB-CG1 3.76Å; D867-R995 IonicContact OD1-NH1 3.95Å; D867-R995 IonicContact OD2-CZ 3.83Å; D867-R995 IonicContact OD2-NH1 2.66Å; D867-R995 PolarHBondContact OD2-NH1 3.31Å; D867-Y996 HydrophobicContact CB-CE2 3.9Å; D867-Y996 WeakPolarHBondContact OD2-CE2 3.47Å; D867-Y996 PolarHBondContact OD2-OH 3.22Å
868	Y	98.1	Very high	97.7	Very high	14 Å²	14	23.5 Å²	23.5	6%	0.055	12%	0.116	C	C	.	.	H	α-helix	trans	-61	-43.4	-178.1	-177.3	-94.7	0	0	0	111.5	V861 F863 H865 L871 C872 M900 G901 Y977	V861-Y868 WeakPolarHBondContact O-CD2 3.23Å; F863-Y868 HydrophobicContact CD2-CD1 4.03Å; F863-Y868 AromaticContact CD2-CE1 3.55Å; F863-Y868 HydrophobicContact CD2-CE1 3.55Å; F863-Y868 HydrophobicContact CE2-CE1 4.21Å; F863-Y868 HydrophobicContact CG-CE1 4.43Å; F863-Y868 WeakPolarHBondContact O-CD1 3.25Å; H865-Y868 WeakPolarHBondContact O-CB 3.45Å; H865-Y868 PolarHBondContact O-N 2.9Å; Y868-L871 PolarHBondContact O-N 3.11Å; Y868-C872 WeakPolarHBondContact CE1-SG 3.48Å; Y868-C872 PolarHBondContact O-N 3.07Å; Y868-C872 PolarHBondContact O-SG 2.87Å; Y868-M900 HydrophobicContact CD2-CE 3.38Å; Y868-M900 HydrophobicContact CD2-CG 4.27Å; Y868-M900 HydrophobicContact CE2-CE 3.51Å; Y868-M900 HydrophobicContact CE2-CG 3.81Å; Y868-M900 HydrophobicContact CG-CE 4.44Å; Y868-G901 PolarHBondContact OH-O 3.05Å; Y868-Y977 HydrophobicContact CD1-CD2 4.01Å; Y868-Y977 AromaticContact CD1-CE2 3.48Å; Y868-Y977 HydrophobicContact CD1-CE2 3.48Å; Y868-Y977 VanDerWaalsContact CD1-CE2 3.48Å; Y868-Y977 HydrophobicContact CE1-CD2 4.46Å; Y868-Y977 AromaticContact CE1-CE2 3.75Å; Y868-Y977 HydrophobicContact CE1-CE2 3.75Å; Y868-Y977 AromaticContact CE1-CZ 3.95Å
869	A	98	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-45.6	176	0	0	0	0	0	112.3	D867 L871 C872 I873 Y977 Q980 L981 V984	D867-A869 VanDerWaalsContact C-N 3.34Å; D867-A869 PolarHBondContact O-N 2.93Å; A869-L871 VanDerWaalsContact C-N 3.34Å; A869-L871 PolarHBondContact O-N 2.92Å; A869-C872 WeakPolarHBondContact O-CB 3.28Å; A869-C872 PolarHBondContact O-N 3.28Å; A869-I873 WeakPolarHBondContact O-CG1 3.44Å; A869-I873 PolarHBondContact O-N 3.12Å; A869-Y977 HydrophobicContact CB-CD2 4.23Å; A869-Y977 HydrophobicContact CB-CE2 3.99Å; A869-Q980 HydrophobicContact CB-CB 3.68Å; A869-L981 HydrophobicContact CB-CD2 3.9Å; A869-L981 HydrophobicContact CB-CG 4.16Å; A869-V984 HydrophobicContact CB-CG2 4.09Å
870	S	98.6	Very high	97.5	Very high	14 Å²	14	23.5 Å²	23.5	10%	0.098	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-41.8	176.5	-62.8	0	0	0	0	111.8	D867 I873 L874 L989	D867-S870 PolarHBondContact O-N 2.85Å; S870-I873 PolarHBondContact O-N 2.82Å; S870-L874 WeakPolarHBondContact O-CB 3.35Å; S870-L874 PolarHBondContact O-N 2.98Å; S870-L989 VanDerWaalsContact O-CD2 3.23Å; S870-L989 WeakPolarHBondContact O-CD2 3.46Å
871	L	98.6	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-34.8	176.3	-72.4	165.5	0	0	0	112.8	T860 V861 D867 Y868 A869 L874 A875 M900 F906 V992 Y996	T860-L871 HydrophobicContact CG2-CD1 4.27Å; V861-L871 HydrophobicContact CG2-CD1 3.74Å; D867-L871 PolarHBondContact O-N 2.91Å; Y868-L871 PolarHBondContact O-N 3.11Å; A869-L871 VanDerWaalsContact C-N 3.34Å; A869-L871 PolarHBondContact O-N 2.92Å; L871-L874 PolarHBondContact O-N 2.98Å; L871-A875 WeakPolarHBondContact O-CB 3.47Å; L871-A875 PolarHBondContact O-N 2.98Å; L871-M900 HydrophobicContact CB-CE 4.28Å; L871-M900 HydrophobicContact CB-CG 4.31Å; L871-M900 HydrophobicContact CB-SD 4.09Å; L871-M900 HydrophobicContact CD1-CE 3.95Å; L871-M900 HydrophobicContact CD1-SD 4.45Å; L871-F906 HydrophobicContact CB-CD2 4.48Å; L871-F906 HydrophobicContact CD2-CD2 4.22Å; L871-V992 HydrophobicContact CD2-CB 4.04Å; L871-V992 HydrophobicContact CD2-CG2 3.98Å; L871-V992 HydrophobicContact CG-CB 4.2Å; L871-V992 HydrophobicContact CG-CG2 4.22Å; L871-Y996 HydrophobicContact CD1-CD2 4.06Å; L871-Y996 HydrophobicContact CD1-CE2 4.37Å; L871-Y996 HydrophobicContact CD2-CD2 4.2Å; L871-Y996 HydrophobicContact CG-CD2 4.46Å
872	C	98.2	Very high	97.2	Very high	13 Å²	13	28.2 Å²	28.2	9%	0.088	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-49.6	174.6	-66.8	0	0	0	0	111.6	Y868 A869 L874 A875 R876 Y977 L981	Y868-C872 WeakPolarHBondContact CE1-SG 3.48Å; Y868-C872 PolarHBondContact O-N 3.07Å; Y868-C872 PolarHBondContact O-SG 2.87Å; A869-C872 WeakPolarHBondContact O-CB 3.28Å; A869-C872 PolarHBondContact O-N 3.28Å; C872-L874 VanDerWaalsContact C-N 3.32Å; C872-L874 PolarHBondContact O-N 3.33Å; C872-A875 PolarHBondContact O-N 2.79Å; C872-R876 PolarHBondContact O-N 3.37Å; C872-Y977 PolarHBondContact SG-OH 3.03Å; C872-L981 HydrophobicContact CB-CD2 4.37Å
873	I	98.5	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-43.4	176	-63.3	-63.1	0	0	0	110.2	A869 S870 A875 R876 M877 A943 K944 V947 L981 V984 L989	A869-I873 WeakPolarHBondContact O-CG1 3.44Å; A869-I873 PolarHBondContact O-N 3.12Å; S870-I873 PolarHBondContact O-N 2.82Å; I873-A875 PolarHBondContact O-N 3.01Å; I873-R876 PolarHBondContact O-N 3.4Å; I873-M877 WeakPolarHBondContact O-CB 3.45Å; I873-M877 PolarHBondContact O-N 3.39Å; I873-A943 HydrophobicContact CG2-CB 3.92Å; I873-K944 HydrophobicContact CD1-CB 4.24Å; I873-K944 HydrophobicContact CD1-CG 3.67Å; I873-K944 HydrophobicContact CG1-CG 4.46Å; I873-V947 HydrophobicContact CD1-CB 3.91Å; I873-V947 HydrophobicContact CD1-CG1 4.3Å; I873-V947 HydrophobicContact CD1-CG2 3.86Å; I873-L981 HydrophobicContact CD1-CD2 3.9Å; I873-L981 HydrophobicContact CG1-CD2 3.86Å; I873-V984 HydrophobicContact CB-CG1 4.09Å; I873-V984 HydrophobicContact CG1-CB 4.2Å; I873-V984 HydrophobicContact CG1-CG1 4.15Å; I873-V984 HydrophobicContact CG1-CG2 3.97Å; I873-V984 HydrophobicContact CG2-CG1 4.05Å; I873-L989 HydrophobicContact CB-CD2 4.12Å; I873-L989 HydrophobicContact CG2-CD1 4.29Å; I873-L989 HydrophobicContact CG2-CD2 3.96Å
874	L	98.6	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-47	178.4	-178.2	60	0	0	0	111.8	S870 L871 C872 R876 M877 M878 A930 L989 V992 A993 L997	S870-L874 WeakPolarHBondContact O-CB 3.35Å; S870-L874 PolarHBondContact O-N 2.98Å; L871-L874 PolarHBondContact O-N 2.98Å; C872-L874 VanDerWaalsContact C-N 3.32Å; C872-L874 PolarHBondContact O-N 3.33Å; L874-R876 VanDerWaalsContact C-N 3.29Å; L874-R876 PolarHBondContact O-N 3.32Å; L874-M877 HydrophobicContact CD1-CE 3.79Å; L874-M877 PolarHBondContact O-N 2.88Å; L874-M878 HydrophobicContact CD1-CG 3.86Å; L874-M878 HydrophobicContact CD1-SD 4.02Å; L874-M878 HydrophobicContact CD2-SD 4.31Å; L874-M878 HydrophobicContact CG-CG 4.14Å; L874-M878 HydrophobicContact CG-SD 3.78Å; L874-M878 WeakPolarHBondContact O-CB 3.49Å; L874-M878 VanDerWaalsContact O-CG 3.23Å; L874-M878 WeakPolarHBondContact O-CG 3.47Å; L874-M878 PolarHBondContact O-N 3.24Å; L874-A930 HydrophobicContact CD1-CB 3.88Å; L874-L989 HydrophobicContact CB-CD2 3.92Å; L874-V992 HydrophobicContact CD2-CG2 3.97Å; L874-A993 HydrophobicContact CD2-CB 3.78Å; L874-L997 HydrophobicContact CD2-CD1 3.75Å
875	A	98.3	Very high	97.2	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.025	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-45.4	178.4	0	0	0	0	0	111.6	L871 C872 I873 T879 A898 F906	L871-A875 WeakPolarHBondContact O-CB 3.47Å; L871-A875 PolarHBondContact O-N 2.98Å; C872-A875 PolarHBondContact O-N 2.79Å; I873-A875 PolarHBondContact O-N 3.01Å; A875-T879 WeakPolarHBondContact O-CB 3.44Å; A875-T879 PolarHBondContact O-N 3.19Å; A875-T879 PolarHBondContact O-OG1 3.22Å; A875-A898 HydrophobicContact CB-CB 4.29Å; A875-F906 HydrophobicContact CB-CD2 4.38Å; A875-F906 HydrophobicContact CB-CE2 3.53Å; A875-F906 HydrophobicContact CB-CZ 3.77Å
876	R	97.7	Very high	97.1	Very high	69 Å²	69	24.6 Å²	24.6	26%	0.26	12%	0.124	S	C	.	.	H	α-helix	trans	-69.2	-41.5	179.5	-175.4	58.9	-163.5	-169.5	-8	112.2	N125 C872 I873 L874 T879 A880 S946 V947	N125-R876 PolarHBondContact OD1-NE 2.88Å; N125-R876 PolarHBondContact OD1-NH2 3.31Å; C872-R876 PolarHBondContact O-N 3.37Å; I873-R876 PolarHBondContact O-N 3.4Å; L874-R876 VanDerWaalsContact C-N 3.29Å; L874-R876 PolarHBondContact O-N 3.32Å; R876-T879 WeakPolarHBondContact O-CB 3.48Å; R876-T879 PolarHBondContact O-N 3.38Å; R876-A880 PolarHBondContact O-N 3.43Å; R876-S946 WeakPolarHBondContact CD-OG 3.28Å; R876-S946 PolarHBondContact NE-OG 2.71Å; R876-S946 PolarHBondContact NH2-OG 2.98Å; R876-V947 HydrophobicContact CB-CG2 3.91Å; R876-V947 HydrophobicContact CG-CG2 4.35Å
877	M	97	Very high	97.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-45.6	177.6	-165.8	-177.8	59.5	0	0	111.6	I873 L874 T879 A880 K881 W929 F935 D939 I940 A943 L989	I873-M877 WeakPolarHBondContact O-CB 3.45Å; I873-M877 PolarHBondContact O-N 3.39Å; L874-M877 HydrophobicContact CD1-CE 3.79Å; L874-M877 PolarHBondContact O-N 2.88Å; M877-T879 VanDerWaalsContact C-N 3.28Å; M877-T879 PolarHBondContact O-N 3.44Å; M877-A880 PolarHBondContact O-N 2.7Å; M877-K881 HydrophobicContact CG-CG 4.07Å; M877-K881 VanDerWaalsContact O-CB 3.29Å; M877-K881 WeakPolarHBondContact O-CB 3.5Å; M877-K881 WeakPolarHBondContact O-CG 3.36Å; M877-K881 PolarHBondContact O-N 3.02Å; M877-W929 HydrophobicContact CE-CH2 4Å; M877-W929 HydrophobicContact CE-CZ3 4.23Å; M877-W929 HydrophobicContact CG-CH2 4.07Å; M877-W929 HydrophobicContact SD-CH2 4.45Å; M877-F935 HydrophobicContact CE-CD1 3.66Å; M877-F935 HydrophobicContact CE-CD2 3.79Å; M877-F935 HydrophobicContact CE-CE1 3.64Å; M877-F935 HydrophobicContact CE-CE2 3.77Å; M877-F935 HydrophobicContact CE-CG 3.74Å; M877-F935 HydrophobicContact CE-CZ 3.71Å; M877-F935 HydrophobicContact SD-CB 4.2Å; M877-F935 HydrophobicContact SD-CD1 4.34Å; M877-F935 HydrophobicContact SD-CD2 3.7Å; M877-F935 HydrophobicContact SD-CE2 4.15Å; M877-F935 HydrophobicContact SD-CG 3.82Å; M877-D939 HydrophobicContact CG-CB 4.45Å; M877-D939 HydrophobicContact SD-CB 4.33Å; M877-I940 HydrophobicContact SD-CG1 4.14Å; M877-A943 HydrophobicContact CB-CB 3.8Å; M877-A943 HydrophobicContact CG-CB 4.29Å; M877-L989 HydrophobicContact CE-CD1 3.92Å; M877-L989 HydrophobicContact SD-CD1 4.17Å
878	M	97.9	Very high	96.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-40.2	174.3	-69.6	175.1	82.9	0	0	111.6	L874 F882 L883 F906 F908 G926 V927 W929 A930 L997	L874-M878 HydrophobicContact CD1-CG 3.86Å; L874-M878 HydrophobicContact CD1-SD 4.02Å; L874-M878 HydrophobicContact CD2-SD 4.31Å; L874-M878 HydrophobicContact CG-CG 4.14Å; L874-M878 HydrophobicContact CG-SD 3.78Å; L874-M878 WeakPolarHBondContact O-CB 3.49Å; L874-M878 VanDerWaalsContact O-CG 3.23Å; L874-M878 WeakPolarHBondContact O-CG 3.47Å; L874-M878 PolarHBondContact O-N 3.24Å; M878-F882 PolarHBondContact O-N 2.96Å; M878-F882 VanDerWaalsContact O-N 3.1Å; M878-L883 HydrophobicContact CB-CD1 4.15Å; M878-L883 PolarHBondContact O-N 3.39Å; M878-F906 HydrophobicContact SD-CZ 3.95Å; M878-F908 HydrophobicContact CE-CE1 3.59Å; M878-F908 HydrophobicContact CE-CZ 3.79Å; M878-F908 HydrophobicContact SD-CE1 4.4Å; M878-G926 WeakPolarHBondContact CE-O 3.27Å; M878-V927 HydrophobicContact CE-CG2 4.27Å; M878-W929 HydrophobicContact CB-CZ3 4.35Å; M878-W929 HydrophobicContact CG-CE3 4.22Å; M878-W929 HydrophobicContact CG-CZ3 3.8Å; M878-A930 HydrophobicContact CE-CB 4.29Å; M878-A930 HydrophobicContact CG-CB 4.36Å; M878-A930 HydrophobicContact SD-CB 4.28Å; M878-L997 HydrophobicContact SD-CD1 4.19Å
879	T	97.8	Very high	96.6	Very high	13 Å²	13	19.1 Å²	19.1	8%	0.08	10%	0.098	C	C	.	.	I	π-helix	trans	-59.6	-54.4	175.8	-59.2	0	0	0	0	110.9	A875 R876 M877 H884 A898	A875-T879 WeakPolarHBondContact O-CB 3.44Å; A875-T879 PolarHBondContact O-N 3.19Å; A875-T879 PolarHBondContact O-OG1 3.22Å; R876-T879 WeakPolarHBondContact O-CB 3.48Å; R876-T879 PolarHBondContact O-N 3.38Å; M877-T879 VanDerWaalsContact C-N 3.28Å; M877-T879 PolarHBondContact O-N 3.44Å; T879-H884 WeakPolarHBondContact O-CB 3.43Å; T879-H884 PolarHBondContact O-N 3.22Å; T879-A898 PolarHBondContact OG1-N 3.38Å; T879-A898 PolarHBondContact OG1-O 2.79Å; T879-A898 VanDerWaalsContact OG1-O 3.1Å
880	A	95.1	Very high	96.3	Very high	35 Å²	35	21.3 Å²	21.3	29%	0.289	11%	0.107	S	C	.	.	I	π-helix	trans	-72.7	-35.5	-173.7	0	0	0	0	0	113.9	R876 M877	R876-A880 PolarHBondContact O-N 3.43Å; M877-A880 PolarHBondContact O-N 2.7Å
881	K	94.7	Very high	95.8	Very high	89 Å²	89	21.4 Å²	21.4	39%	0.387	11%	0.111	S	C	.	.	I	π-helix	trans	-100	-17.1	-170.2	-56.1	-53.5	-56.1	-158.7	0	114.5	M877 W929 D939	M877-K881 HydrophobicContact CG-CG 4.07Å; M877-K881 VanDerWaalsContact O-CB 3.29Å; M877-K881 WeakPolarHBondContact O-CB 3.5Å; M877-K881 WeakPolarHBondContact O-CG 3.36Å; M877-K881 PolarHBondContact O-N 3.02Å; K881-W929 HydrophobicContact CB-CH2 3.69Å; K881-W929 HydrophobicContact CB-CZ2 3.65Å; K881-W929 HydrophobicContact CG-CH2 4.28Å; K881-W929 HydrophobicContact CG-CZ2 4.41Å; K881-D939 HydrophobicContact CD-CB 4.33Å; K881-D939 WeakPolarHBondContact CD-OD1 3.36Å; K881-D939 WeakPolarHBondContact CE-OD1 3.48Å; K881-D939 HydrophobicContact CG-CB 4.31Å; K881-D939 IonicContact NZ-OD1 2.75Å; K881-D939 PolarHBondContact NZ-OD1 3.4Å
882	F	96	Very high	95.4	Very high	33 Å²	33	21.4 Å²	21.4	15%	0.145	11%	0.111	C	C	.	.	I	π-helix	trans	-134.8	-61.6	-173.9	-167.5	-84.7	0	0	0	112.7	M878 H884 G885 E886 R925 G926 W929	M878-F882 PolarHBondContact O-N 2.96Å; M878-F882 VanDerWaalsContact O-N 3.1Å; F882-H884 PolarHBondContact O-N 3.13Å; F882-G885 PolarHBondContact O-N 3.08Å; F882-E886 HydrophobicContact CD1-CG 4.02Å; F882-E886 HydrophobicContact CE1-CB 4.45Å; F882-E886 HydrophobicContact CE1-CG 3.68Å; F882-E886 HydrophobicContact CE2-CG 4.49Å; F882-E886 HydrophobicContact CZ-CG 3.93Å; F882-E886 WeakPolarHBondContact O-CG 3.38Å; F882-E886 PolarHBondContact O-N 2.69Å; F882-R925 HydrophobicContact CE1-CB 3.99Å; F882-R925 HydrophobicContact CZ-CB 3.61Å; F882-G926 VanDerWaalsContact CD1-CA 3.42Å; F882-W929 HydrophobicContact CB-CD2 4.13Å; F882-W929 HydrophobicContact CB-CE3 4.09Å; F882-W929 HydrophobicContact CD2-CB 3.61Å; F882-W929 AromaticContact CD2-CD1 3.86Å; F882-W929 AromaticContact CD2-CD2 3.96Å; F882-W929 HydrophobicContact CD2-CD2 3.96Å; F882-W929 AromaticContact CD2-CG 3.49Å; F882-W929 HydrophobicContact CD2-CG 3.49Å; F882-W929 VanDerWaalsContact CD2-CG 3.49Å; F882-W929 HydrophobicContact CE2-CB 3.71Å; F882-W929 HydrophobicContact CE2-CG 4.03Å; F882-W929 HydrophobicContact CG-CB 4.33Å; F882-W929 HydrophobicContact CG-CD2 4.32Å; F882-W929 HydrophobicContact CG-CG 4.24Å
883	L	97.6	Very high	95.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-67.8	-38.3	-168.3	-63	168.1	0	0	0	112.7	M878 E886 I887 A898 F908 F923	M878-L883 HydrophobicContact CB-CD1 4.15Å; M878-L883 PolarHBondContact O-N 3.39Å; L883-E886 PolarHBondContact O-N 3.3Å; L883-I887 HydrophobicContact CB-CD1 4.21Å; L883-I887 HydrophobicContact CD2-CD1 4.02Å; L883-I887 VanDerWaalsContact O-CB 3.24Å; L883-I887 WeakPolarHBondContact O-CB 3.25Å; L883-I887 WeakPolarHBondContact O-CG1 3.3Å; L883-I887 PolarHBondContact O-N 3.21Å; L883-A898 HydrophobicContact CD1-CB 3.69Å; L883-F908 HydrophobicContact CD1-CD1 3.81Å; L883-F908 HydrophobicContact CD1-CE1 4.05Å; L883-F908 HydrophobicContact CD2-CD1 4.37Å; L883-F923 HydrophobicContact CD2-CD1 4.05Å
884	H	94.6	Very high	94.8	Very high	27 Å²	27	24.3 Å²	24.3	13%	0.125	12%	0.121	C	C	.	.	I	π-helix	trans	-60.1	-49.7	176.2	-176.8	88.2	0	0	0	111.6	F121 T879 F882 E886 R888 E889	F121-H884 AromaticContact CD1-CE1 3.53Å; F121-H884 AromaticContact CD1-NE2 3.89Å; F121-H884 AromaticContact CD2-NE2 3.86Å; F121-H884 AromaticContact CE1-CE1 3.43Å; F121-H884 VanDerWaalsContact CE1-CE1 3.43Å; F121-H884 WeakPolarHBondContact CE1-CE1 3.2Å; F121-H884 AromaticContact CG-CE1 3.92Å; F121-H884 AromaticContact CG-NE2 3.79Å; F121-H884 AromaticContact CZ-CE1 3.71Å; T879-H884 WeakPolarHBondContact O-CB 3.43Å; T879-H884 PolarHBondContact O-N 3.22Å; F882-H884 PolarHBondContact O-N 3.13Å; H884-E886 PolarHBondContact O-N 3Å; H884-R888 VanDerWaalsContact CE1-CD 3.48Å; H884-R888 WeakPolarHBondContact CE1-CD 3.48Å; H884-R888 WeakPolarHBondContact O-CA 3.42Å; H884-R888 WeakPolarHBondContact O-CB 3.43Å; H884-R888 PolarHBondContact O-N 3.11Å; H884-E889 IonicContact CD2-OE1 3.58Å; H884-E889 PolarHBondContact CD2-OE1 3.27Å; H884-E889 IonicContact NE2-OE1 2.7Å; H884-E889 PolarHBondContact O-N 3.41Å
885	G	93.3	Very high	94.5	Very high	15 Å²	15	25.1 Å²	25.1	16%	0.155	13%	0.129	C	C	.	.	I	π-helix	trans	-63.6	-39.7	178.1	0	0	0	0	0	113.3	F882 E889 K890	F882-G885 PolarHBondContact O-N 3.08Å; G885-E889 WeakPolarHBondContact O-CB 3.44Å; G885-K890 WeakPolarHBondContact O-CB 3.2Å; G885-K890 VanDerWaalsContact O-CG 3.32Å; G885-K890 WeakPolarHBondContact O-CG 3.4Å; G885-K890 PolarHBondContact O-N 3.06Å
886	E	95.7	Very high	94.4	Very high	40 Å²	40	25.3 Å²	25.3	19%	0.187	13%	0.131	C	C	.	.	I	π-helix	trans	-76.7	-40.7	-178.2	-67.7	-68.6	120.6	0	0	113.5	F882 L883 H884 K890 G891 A922 R925	F882-E886 HydrophobicContact CD1-CG 4.02Å; F882-E886 HydrophobicContact CE1-CB 4.45Å; F882-E886 HydrophobicContact CE1-CG 3.68Å; F882-E886 HydrophobicContact CE2-CG 4.49Å; F882-E886 HydrophobicContact CZ-CG 3.93Å; F882-E886 WeakPolarHBondContact O-CG 3.38Å; F882-E886 PolarHBondContact O-N 2.69Å; L883-E886 PolarHBondContact O-N 3.3Å; H884-E886 PolarHBondContact O-N 3Å; E886-K890 WeakPolarHBondContact OE1-CD 3.32Å; E886-K890 WeakPolarHBondContact OE1-CE 3.47Å; E886-K890 IonicContact OE1-NZ 3.96Å; E886-K890 PolarHBondContact OE1-NZ 3.27Å; E886-G891 PolarHBondContact O-N 3.31Å; E886-A922 HydrophobicContact CB-CB 4.37Å; E886-R925 IonicContact OE2-CZ 2.83Å; E886-R925 IonicContact OE2-NE 2.79Å; E886-R925 IonicContact OE2-NH2 3.34Å; E886-R925 PolarHBondContact OE2-NH2 3.49Å
887	I	96.1	Very high	94.4	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.118	C	C	.	.	I	π-helix	trans	-93.6	-42.9	-170.6	-60.5	172	0	0	0	111.3	L883 G891 G892 A893 T919 A922 F923	L883-I887 HydrophobicContact CB-CD1 4.21Å; L883-I887 HydrophobicContact CD2-CD1 4.02Å; L883-I887 VanDerWaalsContact O-CB 3.24Å; L883-I887 WeakPolarHBondContact O-CB 3.25Å; L883-I887 WeakPolarHBondContact O-CG1 3.3Å; L883-I887 PolarHBondContact O-N 3.21Å; I887-G891 CarbonylContact O-C 3.46Å; I887-G891 VanDerWaalsContact O-CA 3.27Å; I887-G891 WeakPolarHBondContact O-CA 3.4Å; I887-G892 PolarHBondContact O-N 2.9Å; I887-A893 HydrophobicContact CG2-CB 3.79Å; I887-A893 WeakPolarHBondContact O-CB 3.31Å; I887-A893 PolarHBondContact O-N 3.41Å; I887-A893 VanDerWaalsContact O-N 3.12Å; I887-T919 HydrophobicContact CD1-CG2 4.01Å; I887-T919 HydrophobicContact CG1-CG2 4.28Å; I887-T919 HydrophobicContact CG2-CG2 4.31Å; I887-A922 HydrophobicContact CG1-CB 4.12Å; I887-F923 HydrophobicContact CD1-CD1 3.95Å; I887-F923 HydrophobicContact CD1-CE1 3.51Å
888	R	94.8	Very high	94.5	Very high	22 Å²	22	22.3 Å²	22.3	8%	0.083	12%	0.121	C	C	.	.	I	π-helix	trans	-90.2	-60.3	-179.2	167.6	166.9	172.8	143	-0.6	112.2	E177 V198 H884 G892 A893 Y894	E177-R888 IonicContact OE2-NH2 2.69Å; E177-R888 PolarHBondContact OE2-NH2 2.91Å; V198-R888 HydrophobicContact CG2-CG 4.15Å; H884-R888 VanDerWaalsContact CE1-CD 3.48Å; H884-R888 WeakPolarHBondContact CE1-CD 3.48Å; H884-R888 WeakPolarHBondContact O-CA 3.42Å; H884-R888 WeakPolarHBondContact O-CB 3.43Å; H884-R888 PolarHBondContact O-N 3.11Å; R888-G892 WeakPolarHBondContact O-CA 3.33Å; R888-G892 PolarHBondContact O-N 3.5Å; R888-A893 WeakPolarHBondContact CA-O 3.38Å; R888-A893 WeakPolarHBondContact CB-O 3Å; R888-A893 VanDerWaalsContact CG-O 3.28Å; R888-A893 WeakPolarHBondContact CG-O 3.44Å; R888-Y894 WeakPolarHBondContact CD-O 3.43Å; R888-Y894 PolarHBondContact NH1-O 3.24Å
889	E	91.8	Very high	94.4	Very high	24 Å²	24	26.1 Å²	26.1	11%	0.112	14%	0.138	C	C	.	.	I	π-helix	trans	-65.1	-51.9	-173	-64.5	179.1	-155.6	0	0	112	Q545 H884 G885	Q545-E889 HydrophobicContact CG-CB 4.41Å; Q545-E889 VanDerWaalsContact NE2-C 3.32Å; Q545-E889 PolarHBondContact NE2-O 2.98Å; H884-E889 IonicContact CD2-OE1 3.58Å; H884-E889 PolarHBondContact CD2-OE1 3.27Å; H884-E889 IonicContact NE2-OE1 2.7Å; H884-E889 PolarHBondContact O-N 3.41Å; G885-E889 WeakPolarHBondContact O-CB 3.44Å
890	K	91	Very high	94.3	Very high	45 Å²	45	26.6 Å²	26.6	20%	0.196	14%	0.139	C	C	.	.	I	π-helix	trans	-80.3	-47.3	178.9	-67.7	173.1	-173.7	-178.6	0	112.3	L542 Q545 S546 G885 E886	L542-K890 HydrophobicContact CD1-CD 4.26Å; L542-K890 HydrophobicContact CD1-CG 4.4Å; Q545-K890 HydrophobicContact CB-CG 4.19Å; S546-K890 WeakPolarHBondContact OG-CE 3.32Å; S546-K890 PolarHBondContact OG-NZ 2.94Å; G885-K890 WeakPolarHBondContact O-CB 3.2Å; G885-K890 VanDerWaalsContact O-CG 3.32Å; G885-K890 WeakPolarHBondContact O-CG 3.4Å; G885-K890 PolarHBondContact O-N 3.06Å; E886-K890 WeakPolarHBondContact OE1-CD 3.32Å; E886-K890 WeakPolarHBondContact OE1-CE 3.47Å; E886-K890 IonicContact OE1-NZ 3.96Å; E886-K890 PolarHBondContact OE1-NZ 3.27Å
891	G	88.8	Confident	93.8	Very high	16 Å²	16	25.9 Å²	25.9	17%	0.165	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.2	-174.6	0	0	0	0	0	114.8	E886 I887 P914 N915	E886-G891 PolarHBondContact O-N 3.31Å; I887-G891 CarbonylContact O-C 3.46Å; I887-G891 VanDerWaalsContact O-CA 3.27Å; I887-G891 WeakPolarHBondContact O-CA 3.4Å; G891-P914 WeakPolarHBondContact O-CG 3.07Å; G891-N915 PolarHBondContact O-ND2 3.49Å; G891-N915 VanDerWaalsContact O-ND2 3.16Å
892	G	89.4	Confident	93	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	14%	0.144	C	C	.	.			trans	80	8.8	-179.8	0	0	0	0	0	115	N201 I887 R888	N201-G892 WeakPolarHBondContact CB-O 3.49Å; N201-G892 PolarHBondContact ND2-O 3.24Å; I887-G892 PolarHBondContact O-N 2.9Å; R888-G892 WeakPolarHBondContact O-CA 3.33Å; R888-G892 PolarHBondContact O-N 3.5Å
893	A	92.4	Very high	92.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.148	C	C	.	.			trans	-69.4	153.1	174.8	0	0	0	0	0	111.5	I887 R888 D913	I887-A893 HydrophobicContact CG2-CB 3.79Å; I887-A893 WeakPolarHBondContact O-CB 3.31Å; I887-A893 PolarHBondContact O-N 3.41Å; I887-A893 VanDerWaalsContact O-N 3.12Å; R888-A893 WeakPolarHBondContact CA-O 3.38Å; R888-A893 WeakPolarHBondContact CB-O 3Å; R888-A893 VanDerWaalsContact CG-O 3.28Å; R888-A893 WeakPolarHBondContact CG-O 3.44Å; A893-D913 HydrophobicContact CB-CB 3.88Å
894	Y	91.6	Very high	92	Very high	74 Å²	74	24.3 Å²	24.3	29%	0.29	15%	0.148	S	C	.	.	S	Bend	trans	-67.7	-36.8	175.2	-177.5	-110.2	0	0	0	112.7	E202 R888 Y911 R912	E202-Y894 HydrophobicContact CB-CD2 3.74Å; E202-Y894 HydrophobicContact CB-CE2 4.27Å; E202-Y894 HydrophobicContact CB-CG 4.44Å; E202-Y894 VanDerWaalsContact CD-CD2 3.48Å; E202-Y894 HydrophobicContact CG-CD2 3.59Å; E202-Y894 HydrophobicContact CG-CE2 3.7Å; E202-Y894 HydrophobicContact CG-CG 4.28Å; E202-Y894 VanDerWaalsContact OE1-CE2 3.22Å; E202-Y894 WeakPolarHBondContact OE1-CE2 3.47Å; E202-Y894 PolarHBondContact OE1-OH 2.81Å; E202-Y894 WeakPolarHBondContact OE2-CD2 3.07Å; E202-Y894 WeakPolarHBondContact OE2-CE2 3.37Å; R888-Y894 WeakPolarHBondContact CD-O 3.43Å; R888-Y894 PolarHBondContact NH1-O 3.24Å; Y894-Y911 AromaticContact CD1-CD1 3.56Å; Y894-Y911 HydrophobicContact CD1-CD1 3.56Å; Y894-Y911 AromaticContact CD1-CE1 3.67Å; Y894-Y911 HydrophobicContact CD1-CE1 3.67Å; Y894-Y911 HydrophobicContact CE1-CD1 4.43Å; Y894-Y911 HydrophobicContact CE1-CE1 4.22Å; Y894-Y911 HydrophobicContact CG-CD1 4.34Å; Y894-Y911 PolarHBondContact N-O 2.85Å; Y894-R912 PolarHBondContact N-O 3.32Å
895	G	93.3	Very high	92.2	Very high	17 Å²	17	23.5 Å²	23.5	18%	0.175	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.1	-179.9	0	0	0	0	0	112.9	S910 Y911	G895-S910 CarbonylContact O-C 3.58Å; G895-S910 VanDerWaalsContact O-CA 3.27Å; G895-S910 WeakPolarHBondContact O-CA 3.01Å; G895-Y911 PolarHBondContact N-O 3.02Å; G895-Y911 VanDerWaalsContact N-O 3.17Å; G895-Y911 PolarHBondContact O-N 2.85Å
896	G	96.2	Very high	92.4	Very high	6 Å²	6	22.8 Å²	22.8	6%	0.062	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	138.3	176.6	0	0	0	0	0	111.2	Y909	G896-Y909 WeakPolarHBondContact CA-O 3.23Å
897	G	97.9	Very high	92.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-170	-177.1	0	0	0	0	0	114.7	F908 Y909	G897-F908 WeakPolarHBondContact O-CA 3.4Å; G897-Y909 PolarHBondContact N-O 3.25Å; G897-Y909 WeakPolarHBondContact O-CD1 3.45Å; G897-Y909 PolarHBondContact O-N 3.4Å
898	A	98.2	Very high	92.7	Very high	8 Å²	8	21.2 Å²	21.2	7%	0.066	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.7	175.7	0	0	0	0	0	110.5	A875 T879 L883 F906 S907 F908	A875-A898 HydrophobicContact CB-CB 4.29Å; T879-A898 PolarHBondContact OG1-N 3.38Å; T879-A898 PolarHBondContact OG1-O 2.79Å; T879-A898 VanDerWaalsContact OG1-O 3.1Å; L883-A898 HydrophobicContact CD1-CB 3.69Å; A898-F906 HydrophobicContact CB-CE1 3.71Å; A898-F906 HydrophobicContact CB-CZ 3.81Å; A898-S907 CarbonylContact C-O 3.56Å; A898-S907 VanDerWaalsContact CA-O 3.28Å; A898-S907 WeakPolarHBondContact CA-O 3.42Å; A898-F908 HydrophobicContact CB-CD1 3.85Å; A898-F908 HydrophobicContact CB-CE1 4.05Å
899	K	96.6	Very high	92.8	Very high	79 Å²	79	22.9 Å²	22.9	34%	0.343	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.5	174.4	72.3	-174.1	-168.8	-167.2	0	111.8	M719 S907	M719-K899 VanDerWaalsContact CE-NZ 3.27Å; M719-K899 HydrophobicContact SD-CD 4.14Å; M719-K899 WeakPolarHBondContact SD-CE 3.29Å; M719-K899 PolarHBondContact SD-NZ 3.02Å; K899-S907 PolarHBondContact N-O 3.29Å; K899-S907 PolarHBondContact O-N 2.82Å
900	M	95.6	Very high	93.1	Very high	24 Å²	24	21.8 Å²	21.8	12%	0.118	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.1	170.8	-173.5	58.8	178.3	0	0	109.1	T860 V861 Y868 L871 F906	T860-M900 WeakPolarHBondContact OG1-CE 3.41Å; V861-M900 WeakPolarHBondContact O-CE 3.44Å; Y868-M900 HydrophobicContact CD2-CE 3.38Å; Y868-M900 HydrophobicContact CD2-CG 4.27Å; Y868-M900 HydrophobicContact CE2-CE 3.51Å; Y868-M900 HydrophobicContact CE2-CG 3.81Å; Y868-M900 HydrophobicContact CG-CE 4.44Å; L871-M900 HydrophobicContact CB-CE 4.28Å; L871-M900 HydrophobicContact CB-CG 4.31Å; L871-M900 HydrophobicContact CB-SD 4.09Å; L871-M900 HydrophobicContact CD1-CE 3.95Å; L871-M900 HydrophobicContact CD1-SD 4.45Å; M900-F906 HydrophobicContact SD-CB 4.04Å; M900-F906 HydrophobicContact SD-CD2 4.1Å
901	G	84.5	Confident	93.4	Very high	19 Å²	19	20.7 Å²	20.7	20%	0.196	13%	0.128	C	C	.	.			trans	-74.9	156.3	-179.5	0	0	0	0	0	113	Y868 S903 G904 V905	Y868-G901 PolarHBondContact OH-O 3.05Å; G901-S903 PolarHBondContact O-N 3.15Å; G901-S903 VanDerWaalsContact O-N 3.15Å; G901-G904 PolarHBondContact O-N 2.83Å; G901-V905 PolarHBondContact N-O 3.02Å
902	G	77	Confident	93.6	Very high	55 Å²	55	20.6 Å²	20.6	57%	0.567	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.7	174.4	0	0	0	0	0	114.1	G904	G902-G904 VanDerWaalsContact C-N 3.3Å
903	S	81.5	Confident	93.9	Very high	35 Å²	35	20.6 Å²	20.6	25%	0.245	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.9	173.7	56.2	0	0	0	0	114.5	M655 G901 V905	M655-S903 VanDerWaalsContact CE-O 3.28Å; M655-S903 WeakPolarHBondContact CE-O 3.37Å; G901-S903 PolarHBondContact O-N 3.15Å; G901-S903 VanDerWaalsContact O-N 3.15Å; S903-V905 VanDerWaalsContact C-N 3.32Å
904	G	92.5	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	77.9	15.2	-173.3	0	0	0	0	0	114.5	M655 T860 V861 G901 G902	M655-G904 WeakPolarHBondContact CE-O 3.43Å; T860-G904 WeakPolarHBondContact CA-O 3.49Å; T860-G904 PolarHBondContact N-O 3.04Å; T860-G904 PolarHBondContact OG1-O 2.85Å; V861-G904 PolarHBondContact N-O 2.92Å; V861-G904 WeakPolarHBondContact O-CA 3.33Å; G901-G904 PolarHBondContact O-N 2.83Å; G902-G904 VanDerWaalsContact C-N 3.3Å
905	V	97.2	Very high	94	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.055	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.6	173.5	177.7	0	0	0	0	109.1	L726 T727 I858 G901 S903	L726-V905 HydrophobicContact CD1-CG1 3.98Å; T727-V905 HydrophobicContact CG2-CG2 4.13Å; I858-V905 WeakPolarHBondContact O-CA 3.49Å; G901-V905 PolarHBondContact N-O 3.02Å; S903-V905 VanDerWaalsContact C-N 3.32Å
906	F	98.5	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.2	174.6	-170.5	-74.1	0	0	0	108.8	S857 I858 T860 L871 A875 M878 A898 M900 F908 L997	S857-F906 CarbonylContact C-O 3.59Å; S857-F906 WeakPolarHBondContact CA-O 3.36Å; I858-F906 PolarHBondContact N-O 2.88Å; I858-F906 PolarHBondContact O-N 3.35Å; T860-F906 HydrophobicContact CG2-CB 3.84Å; L871-F906 HydrophobicContact CB-CD2 4.48Å; L871-F906 HydrophobicContact CD2-CD2 4.22Å; A875-F906 HydrophobicContact CB-CD2 4.38Å; A875-F906 HydrophobicContact CB-CE2 3.53Å; A875-F906 HydrophobicContact CB-CZ 3.77Å; M878-F906 HydrophobicContact SD-CZ 3.95Å; A898-F906 HydrophobicContact CB-CE1 3.71Å; A898-F906 HydrophobicContact CB-CZ 3.81Å; M900-F906 HydrophobicContact SD-CB 4.04Å; M900-F906 HydrophobicContact SD-CD2 4.1Å; F906-F908 HydrophobicContact CD1-CD2 4.31Å; F906-F908 AromaticContact CD1-CE2 3.91Å; F906-F908 HydrophobicContact CD1-CE2 3.91Å; F906-F908 HydrophobicContact CD1-CZ 4.16Å; F906-F908 HydrophobicContact CE1-CD1 4.33Å; F906-F908 HydrophobicContact CE1-CD2 4.21Å; F906-F908 AromaticContact CE1-CE1 3.82Å; F906-F908 HydrophobicContact CE1-CE1 3.82Å; F906-F908 AromaticContact CE1-CE2 3.69Å; F906-F908 HydrophobicContact CE1-CE2 3.69Å; F906-F908 AromaticContact CE1-CZ 3.47Å; F906-F908 HydrophobicContact CE1-CZ 3.47Å; F906-F908 VanDerWaalsContact CE1-CZ 3.47Å; F906-F908 HydrophobicContact CZ-CZ 4.36Å; F906-L997 HydrophobicContact CB-CD2 4.18Å; F906-L997 HydrophobicContact CD1-CD2 3.93Å; F906-L997 HydrophobicContact CD2-CD2 4.16Å; F906-L997 HydrophobicContact CE1-CD1 4.22Å; F906-L997 HydrophobicContact CE1-CD2 4.35Å; F906-L997 HydrophobicContact CE2-CD1 4.17Å; F906-L997 HydrophobicContact CG-CD2 3.83Å; F906-L997 HydrophobicContact CZ-CD1 3.98Å
907	S	98.3	Very high	93.7	Very high	10 Å²	10	23.3 Å²	23.3	7%	0.07	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.8	-175	-60.9	0	0	0	0	111.6	E856 S857 A898 K899	E856-S907 CarbonylContact O-C 3.44Å; E856-S907 WeakPolarHBondContact O-CA 3.38Å; S857-S907 PolarHBondContact OG-OG 2.88Å; A898-S907 CarbonylContact C-O 3.56Å; A898-S907 VanDerWaalsContact CA-O 3.28Å; A898-S907 WeakPolarHBondContact CA-O 3.42Å; K899-S907 PolarHBondContact N-O 3.29Å; K899-S907 PolarHBondContact O-N 2.82Å
908	F	98.6	Very high	93.5	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	146.7	160.2	-60	-85.5	0	0	0	109.9	S855 E856 I858 M878 L883 G897 A898 F906 F923 V927	S855-F908 VanDerWaalsContact CA-O 3.26Å; S855-F908 WeakPolarHBondContact CA-O 3.43Å; S855-F908 WeakPolarHBondContact CB-O 3.39Å; S855-F908 PolarHBondContact OG-O 2.9Å; E856-F908 HydrophobicContact CB-CB 4.47Å; E856-F908 HydrophobicContact CB-CD2 4.46Å; E856-F908 PolarHBondContact N-O 2.94Å; E856-F908 PolarHBondContact O-N 3.02Å; I858-F908 HydrophobicContact CD1-CD2 4.47Å; I858-F908 HydrophobicContact CD1-CE2 3.84Å; M878-F908 HydrophobicContact CE-CE1 3.59Å; M878-F908 HydrophobicContact CE-CZ 3.79Å; M878-F908 HydrophobicContact SD-CE1 4.4Å; L883-F908 HydrophobicContact CD1-CD1 3.81Å; L883-F908 HydrophobicContact CD1-CE1 4.05Å; L883-F908 HydrophobicContact CD2-CD1 4.37Å; G897-F908 WeakPolarHBondContact O-CA 3.4Å; A898-F908 HydrophobicContact CB-CD1 3.85Å; A898-F908 HydrophobicContact CB-CE1 4.05Å; F906-F908 HydrophobicContact CD1-CD2 4.31Å; F906-F908 AromaticContact CD1-CE2 3.91Å; F906-F908 HydrophobicContact CD1-CE2 3.91Å; F906-F908 HydrophobicContact CD1-CZ 4.16Å; F906-F908 HydrophobicContact CE1-CD1 4.33Å; F906-F908 HydrophobicContact CE1-CD2 4.21Å; F906-F908 AromaticContact CE1-CE1 3.82Å; F906-F908 HydrophobicContact CE1-CE1 3.82Å; F906-F908 AromaticContact CE1-CE2 3.69Å; F906-F908 HydrophobicContact CE1-CE2 3.69Å; F906-F908 AromaticContact CE1-CZ 3.47Å; F906-F908 HydrophobicContact CE1-CZ 3.47Å; F906-F908 VanDerWaalsContact CE1-CZ 3.47Å; F906-F908 HydrophobicContact CZ-CZ 4.36Å; F908-F923 HydrophobicContact CB-CB 4.32Å; F908-F923 HydrophobicContact CB-CD1 3.65Å; F908-F923 HydrophobicContact CB-CD2 3.56Å; F908-F923 HydrophobicContact CB-CE1 3.69Å; F908-F923 HydrophobicContact CB-CE2 3.61Å; F908-F923 HydrophobicContact CB-CG 3.59Å; F908-F923 HydrophobicContact CB-CZ 3.68Å; F908-F923 HydrophobicContact CD1-CB 4.19Å; F908-F923 AromaticContact CD1-CD1 3.99Å; F908-F923 HydrophobicContact CD1-CD1 3.99Å; F908-F923 HydrophobicContact CD1-CG 4.14Å; F908-F923 HydrophobicContact CD2-CB 4.4Å; F908-F923 HydrophobicContact CG-CB 4.06Å; F908-F923 HydrophobicContact CG-CD1 4.05Å; F908-F923 HydrophobicContact CG-CD2 4.19Å; F908-F923 AromaticContact CG-CG 3.86Å; F908-F923 HydrophobicContact CG-CG 3.86Å; F908-V927 HydrophobicContact CE2-CG2 4.26Å; F908-V927 HydrophobicContact CZ-CG2 3.72Å
909	Y	98.5	Very high	93.4	Very high	58 Å²	58	28.5 Å²	28.5	23%	0.227	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.5	177.1	69.4	-83.7	0	0	0	112.8	M719 V854 G896 G897	M719-Y909 HydrophobicContact CE-CG 4.35Å; M719-Y909 HydrophobicContact SD-CD1 4.16Å; M719-Y909 HydrophobicContact SD-CG 4.2Å; V854-Y909 CarbonylContact O-C 3.57Å; V854-Y909 WeakPolarHBondContact O-CA 3.47Å; G896-Y909 WeakPolarHBondContact CA-O 3.23Å; G897-Y909 PolarHBondContact N-O 3.25Å; G897-Y909 WeakPolarHBondContact O-CD1 3.45Å; G897-Y909 PolarHBondContact O-N 3.4Å
910	S	98.3	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.3	160.7	72.9	0	0	0	0	111.2	V854 G895 D913	V854-S910 WeakPolarHBondContact CB-OG 3.32Å; V854-S910 PolarHBondContact N-O 2.8Å; V854-S910 PolarHBondContact O-N 3.05Å; G895-S910 CarbonylContact O-C 3.58Å; G895-S910 VanDerWaalsContact O-CA 3.27Å; G895-S910 WeakPolarHBondContact O-CA 3.01Å; S910-D913 WeakPolarHBondContact CB-OD2 3.29Å; S910-D913 WeakPolarHBondContact OG-CB 3.4Å; S910-D913 PolarHBondContact OG-OD2 2.78Å
911	Y	96.4	Very high	93.4	Very high	22 Å²	22	26.3 Å²	26.3	9%	0.086	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.4	-173.3	178.4	-95.8	0	0	0	111.2	D712 H715 F853 Y894 G895 D913	D712-Y911 WeakPolarHBondContact O-CE2 3.45Å; D712-Y911 PolarHBondContact O-OH 3.02Å; H715-Y911 HydrophobicContact CB-CD2 3.99Å; H715-Y911 AromaticContact CE1-CD2 3.79Å; H715-Y911 AromaticContact CE1-CE2 3.98Å; H715-Y911 AromaticContact CG-CD2 3.65Å; H715-Y911 AromaticContact ND1-CD2 3.08Å; H715-Y911 WeakPolarHBondContact ND1-CD2 3.27Å; H715-Y911 AromaticContact ND1-CE2 3.47Å; H715-Y911 WeakPolarHBondContact ND1-CE2 3.22Å; F853-Y911 AromaticContact CD1-CD2 3.54Å; F853-Y911 HydrophobicContact CD1-CD2 3.54Å; F853-Y911 HydrophobicContact CD1-CE2 4.04Å; F853-Y911 HydrophobicContact CD1-CG 4.31Å; F853-Y911 AromaticContact CE1-CD2 3.37Å; F853-Y911 HydrophobicContact CE1-CD2 3.37Å; F853-Y911 AromaticContact CE1-CE2 3.43Å; F853-Y911 HydrophobicContact CE1-CE2 3.43Å; F853-Y911 VanDerWaalsContact CE1-CE2 3.43Å; F853-Y911 HydrophobicContact CE1-CG 4.17Å; F853-Y911 HydrophobicContact CZ-CE2 4.44Å; Y894-Y911 AromaticContact CD1-CD1 3.56Å; Y894-Y911 HydrophobicContact CD1-CD1 3.56Å; Y894-Y911 AromaticContact CD1-CE1 3.67Å; Y894-Y911 HydrophobicContact CD1-CE1 3.67Å; Y894-Y911 HydrophobicContact CE1-CD1 4.43Å; Y894-Y911 HydrophobicContact CE1-CE1 4.22Å; Y894-Y911 HydrophobicContact CG-CD1 4.34Å; Y894-Y911 PolarHBondContact N-O 2.85Å; G895-Y911 PolarHBondContact N-O 3.02Å; G895-Y911 VanDerWaalsContact N-O 3.17Å; G895-Y911 PolarHBondContact O-N 2.85Å; Y911-D913 VanDerWaalsContact C-N 3.29Å; Y911-D913 PolarHBondContact O-N 2.75Å
912	R	93.6	Very high	94.1	Very high	15 Å²	15	25.6 Å²	25.6	6%	0.057	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.1	53.9	-170.9	-60.1	176.6	-172.8	177.6	17.7	110.9	E202 D712 V851 N852 F853 Y894	E202-R912 PolarHBondContact O-NH1 3.31Å; D712-R912 IonicContact OD1-NH2 3.41Å; V851-R912 HydrophobicContact CG2-CB 4.19Å; V851-R912 HydrophobicContact CG2-CG 4.36Å; N852-R912 PolarHBondContact O-N 3.09Å; F853-R912 HydrophobicContact CE1-CG 4.17Å; F853-R912 HydrophobicContact CZ-CG 4.46Å; Y894-R912 PolarHBondContact N-O 3.32Å
913	D	95.2	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.4	-171.9	-170.5	-10.8	0	0	0	110.4	N852 A893 S910 Y911 N915 T919	N852-D913 WeakPolarHBondContact CA-O 3.36Å; N852-D913 HydrophobicContact CB-CB 4.46Å; N852-D913 WeakPolarHBondContact CB-O 3.39Å; N852-D913 PolarHBondContact N-O 3.35Å; N852-D913 PolarHBondContact ND2-O 3.29Å; N852-D913 PolarHBondContact O-N 2.88Å; A893-D913 HydrophobicContact CB-CB 3.88Å; S910-D913 WeakPolarHBondContact CB-OD2 3.29Å; S910-D913 WeakPolarHBondContact OG-CB 3.4Å; S910-D913 PolarHBondContact OG-OD2 2.78Å; Y911-D913 VanDerWaalsContact C-N 3.29Å; Y911-D913 PolarHBondContact O-N 2.75Å; D913-N915 VanDerWaalsContact CG-O 3.27Å; D913-N915 PolarHBondContact O-N 2.99Å; D913-N915 WeakPolarHBondContact OD1-CA 3.37Å; D913-N915 WeakPolarHBondContact OD1-CB 3.24Å; D913-N915 PolarHBondContact OD1-N 3.43Å; D913-N915 PolarHBondContact OD1-ND2 3.07Å; D913-T919 WeakPolarHBondContact OD2-CB 3.29Å; D913-T919 VanDerWaalsContact OD2-CG2 3.31Å; D913-T919 WeakPolarHBondContact OD2-CG2 3.41Å; D913-T919 PolarHBondContact OD2-OG1 3.49Å
914	P	92	Very high	95.8	Very high	49 Å²	49	27.2 Å²	27.2	32%	0.318	14%	0.136	S	C	.	.	S	Bend	trans	-65.8	-16.6	174.1	29.2	-35.7	0	0	0	112.3	N852 G891	N852-P914 PolarHBondContact ND2-O 2.89Å; G891-P914 WeakPolarHBondContact O-CG 3.07Å
915	N	93.7	Very high	96	Very high	46 Å²	46	33.1 Å²	33.1	25%	0.246	16%	0.159	C	C	.	.			trans	-106.7	163.2	-177.7	-51.9	-72.8	0	0	0	112.7	N852 G891 D913 Q918	N852-N915 WeakPolarHBondContact CB-O 3.37Å; N852-N915 PolarHBondContact ND2-O 3.21Å; G891-N915 PolarHBondContact O-ND2 3.49Å; G891-N915 VanDerWaalsContact O-ND2 3.16Å; D913-N915 VanDerWaalsContact CG-O 3.27Å; D913-N915 PolarHBondContact O-N 2.99Å; D913-N915 WeakPolarHBondContact OD1-CA 3.37Å; D913-N915 WeakPolarHBondContact OD1-CB 3.24Å; D913-N915 PolarHBondContact OD1-N 3.43Å; D913-N915 PolarHBondContact OD1-ND2 3.07Å; N915-Q918 HydrophobicContact CB-CB 4.17Å
916	S	92.9	Very high	96	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-128.7	-77.5	176.6	62.7	0	0	0	0	111.9	Q918 T919 L920 N1013	S916-Q918 VanDerWaalsContact C-N 3.32Å; S916-Q918 PolarHBondContact O-N 3.08Å; S916-T919 WeakPolarHBondContact O-CB 3.32Å; S916-T919 PolarHBondContact O-N 3.29Å; S916-L920 PolarHBondContact O-N 3.11Å; S916-N1013 PolarHBondContact OG-ND2 3.28Å
917	V	91.1	Very high	96	Very high	56 Å²	56	33.2 Å²	33.2	34%	0.339	16%	0.159	S	C	.	.	H	α-helix	trans	-68.8	-31.5	-177.1	-179.4	0	0	0	0	112.1	T919 L920 S921 I1016	V917-T919 VanDerWaalsContact C-N 3.31Å; V917-T919 PolarHBondContact O-N 2.82Å; V917-L920 PolarHBondContact O-N 2.88Å; V917-S921 PolarHBondContact O-N 3.33Å; V917-S921 VanDerWaalsContact O-N 3.09Å; V917-S921 PolarHBondContact O-OG 3.33Å; V917-S921 VanDerWaalsContact O-OG 3.09Å; V917-I1016 HydrophobicContact CG2-CD1 4.33Å; V917-I1016 HydrophobicContact CG2-CG1 3.97Å
918	Q	92.6	Very high	96	Very high	113 Å²	113	36.9 Å²	36.9	53%	0.528	18%	0.178	S	C	.	.	H	α-helix	trans	-63.1	-39.3	175.1	-62.3	81.5	-14.4	0	0	110.7	N915 S916 S921 A922	N915-Q918 HydrophobicContact CB-CB 4.17Å; S916-Q918 VanDerWaalsContact C-N 3.32Å; S916-Q918 PolarHBondContact O-N 3.08Å; Q918-S921 WeakPolarHBondContact O-CA 3.44Å; Q918-S921 VanDerWaalsContact O-CB 3.28Å; Q918-S921 WeakPolarHBondContact O-CB 3.43Å; Q918-S921 PolarHBondContact O-N 3.44Å; Q918-S921 VanDerWaalsContact O-N 3.1Å; Q918-A922 PolarHBondContact O-N 3.35Å
919	T	97.2	Very high	95.9	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-41.2	176.6	-56.8	0	0	0	0	111.9	V854 I887 D913 S916 V917 S921 A922 F923	V854-T919 HydrophobicContact CB-CG2 4.32Å; V854-T919 HydrophobicContact CG1-CG2 4.37Å; I887-T919 HydrophobicContact CD1-CG2 4.01Å; I887-T919 HydrophobicContact CG1-CG2 4.28Å; I887-T919 HydrophobicContact CG2-CG2 4.31Å; D913-T919 WeakPolarHBondContact OD2-CB 3.29Å; D913-T919 VanDerWaalsContact OD2-CG2 3.31Å; D913-T919 WeakPolarHBondContact OD2-CG2 3.41Å; D913-T919 PolarHBondContact OD2-OG1 3.49Å; S916-T919 WeakPolarHBondContact O-CB 3.32Å; S916-T919 PolarHBondContact O-N 3.29Å; V917-T919 VanDerWaalsContact C-N 3.31Å; V917-T919 PolarHBondContact O-N 2.82Å; T919-S921 PolarHBondContact O-N 3.18Å; T919-A922 WeakPolarHBondContact O-CA 3.17Å; T919-A922 WeakPolarHBondContact O-CB 3.42Å; T919-A922 PolarHBondContact O-N 3Å; T919-F923 HydrophobicContact CG2-CD1 4.47Å; T919-F923 HydrophobicContact CG2-CE1 3.76Å; T919-F923 HydrophobicContact CG2-CE2 4.37Å; T919-F923 HydrophobicContact CG2-CZ 3.69Å; T919-F923 WeakPolarHBondContact O-CG 3.33Å; T919-F923 PolarHBondContact O-N 3.45Å
920	L	96.8	Very high	95.9	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-34	171.8	-64.2	178.2	0	0	0	112.1	V854 E856 S916 V917 F923 R924 V1006 I1008 W1022	V854-L920 HydrophobicContact CG1-CD2 3.5Å; V854-L920 HydrophobicContact CG1-CG 3.94Å; E856-L920 HydrophobicContact CB-CD2 4.43Å; S916-L920 PolarHBondContact O-N 3.11Å; V917-L920 PolarHBondContact O-N 2.88Å; L920-F923 HydrophobicContact CD2-CD2 3.87Å; L920-F923 HydrophobicContact CD2-CE2 3.92Å; L920-F923 PolarHBondContact O-N 3.3Å; L920-R924 PolarHBondContact O-N 3.5Å; L920-V1006 HydrophobicContact CD1-CG1 4.02Å; L920-V1006 HydrophobicContact CD2-CG1 3.76Å; L920-I1008 HydrophobicContact CD1-CD1 4.2Å; L920-W1022 HydrophobicContact CD1-CH2 3.99Å; L920-W1022 HydrophobicContact CD1-CZ2 3.77Å
921	S	96	Very high	95.9	Very high	46 Å²	46	38.9 Å²	38.9	32%	0.322	19%	0.187	S	C	.	.	H	α-helix	trans	-68.5	-38.4	174	-55.6	0	0	0	0	111.5	V917 Q918 T919 F923 R924 R925	V917-S921 PolarHBondContact O-N 3.33Å; V917-S921 VanDerWaalsContact O-N 3.09Å; V917-S921 PolarHBondContact O-OG 3.33Å; V917-S921 VanDerWaalsContact O-OG 3.09Å; Q918-S921 WeakPolarHBondContact O-CA 3.44Å; Q918-S921 VanDerWaalsContact O-CB 3.28Å; Q918-S921 WeakPolarHBondContact O-CB 3.43Å; Q918-S921 PolarHBondContact O-N 3.44Å; Q918-S921 VanDerWaalsContact O-N 3.1Å; T919-S921 PolarHBondContact O-N 3.18Å; S921-F923 VanDerWaalsContact C-N 3.34Å; S921-F923 PolarHBondContact O-N 3.3Å; S921-R924 PolarHBondContact O-N 3.43Å; S921-R925 WeakPolarHBondContact O-CG 3.38Å; S921-R925 PolarHBondContact O-N 2.9Å
922	A	97.2	Very high	95.9	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-38	173.5	0	0	0	0	0	112.2	E886 I887 Q918 T919 R924 R925 G926	E886-A922 HydrophobicContact CB-CB 4.37Å; I887-A922 HydrophobicContact CG1-CB 4.12Å; Q918-A922 PolarHBondContact O-N 3.35Å; T919-A922 WeakPolarHBondContact O-CA 3.17Å; T919-A922 WeakPolarHBondContact O-CB 3.42Å; T919-A922 PolarHBondContact O-N 3Å; A922-R924 PolarHBondContact O-N 2.97Å; A922-R925 PolarHBondContact O-N 3.16Å; A922-G926 PolarHBondContact O-N 2.89Å
923	F	98	Very high	96	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-47	173.4	-61.5	-19.3	0	0	0	111.8	V854 E856 L883 I887 F908 T919 L920 S921 G926 V927	V854-F923 HydrophobicContact CG1-CE2 3.95Å; V854-F923 HydrophobicContact CG1-CZ 4.34Å; E856-F923 HydrophobicContact CB-CD2 3.81Å; E856-F923 HydrophobicContact CB-CE2 4.15Å; L883-F923 HydrophobicContact CD2-CD1 4.05Å; I887-F923 HydrophobicContact CD1-CD1 3.95Å; I887-F923 HydrophobicContact CD1-CE1 3.51Å; F908-F923 HydrophobicContact CB-CB 4.32Å; F908-F923 HydrophobicContact CB-CD1 3.65Å; F908-F923 HydrophobicContact CB-CD2 3.56Å; F908-F923 HydrophobicContact CB-CE1 3.69Å; F908-F923 HydrophobicContact CB-CE2 3.61Å; F908-F923 HydrophobicContact CB-CG 3.59Å; F908-F923 HydrophobicContact CB-CZ 3.68Å; F908-F923 HydrophobicContact CD1-CB 4.19Å; F908-F923 AromaticContact CD1-CD1 3.99Å; F908-F923 HydrophobicContact CD1-CD1 3.99Å; F908-F923 HydrophobicContact CD1-CG 4.14Å; F908-F923 HydrophobicContact CD2-CB 4.4Å; F908-F923 HydrophobicContact CG-CB 4.06Å; F908-F923 HydrophobicContact CG-CD1 4.05Å; F908-F923 HydrophobicContact CG-CD2 4.19Å; F908-F923 AromaticContact CG-CG 3.86Å; F908-F923 HydrophobicContact CG-CG 3.86Å; T919-F923 HydrophobicContact CG2-CD1 4.47Å; T919-F923 HydrophobicContact CG2-CE1 3.76Å; T919-F923 HydrophobicContact CG2-CE2 4.37Å; T919-F923 HydrophobicContact CG2-CZ 3.69Å; T919-F923 WeakPolarHBondContact O-CG 3.33Å; T919-F923 PolarHBondContact O-N 3.45Å; L920-F923 HydrophobicContact CD2-CD2 3.87Å; L920-F923 HydrophobicContact CD2-CE2 3.92Å; L920-F923 PolarHBondContact O-N 3.3Å; S921-F923 VanDerWaalsContact C-N 3.34Å; S921-F923 PolarHBondContact O-N 3.3Å; F923-G926 PolarHBondContact O-N 2.82Å; F923-V927 PolarHBondContact O-N 3.1Å; F923-V927 VanDerWaalsContact O-N 3.1Å
924	R	96.9	Very high	96	Very high	124 Å²	124	47.8 Å²	47.8	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-45.3	177.4	-65.8	176.5	-171.3	164.5	4.7	112.4	L920 S921 A922 G926 V927 D928	L920-R924 PolarHBondContact O-N 3.5Å; S921-R924 PolarHBondContact O-N 3.43Å; A922-R924 PolarHBondContact O-N 2.97Å; R924-G926 PolarHBondContact O-N 3.09Å; R924-V927 WeakPolarHBondContact O-CB 3.44Å; R924-V927 PolarHBondContact O-N 3.48Å; R924-V927 VanDerWaalsContact O-N 3.09Å; R924-D928 PolarHBondContact O-N 3.29Å
925	R	97.3	Very high	96.1	Very high	124 Å²	124	46.2 Å²	46.2	47%	0.468	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-34.6	175.1	-66.5	-164	-59.2	-113.7	6.2	111.8	F882 E886 S921 A922 D928 W929	F882-R925 HydrophobicContact CE1-CB 3.99Å; F882-R925 HydrophobicContact CZ-CB 3.61Å; E886-R925 IonicContact OE2-CZ 2.83Å; E886-R925 IonicContact OE2-NE 2.79Å; E886-R925 IonicContact OE2-NH2 3.34Å; E886-R925 PolarHBondContact OE2-NH2 3.49Å; S921-R925 WeakPolarHBondContact O-CG 3.38Å; S921-R925 PolarHBondContact O-N 2.9Å; A922-R925 PolarHBondContact O-N 3.16Å; R925-D928 PolarHBondContact O-N 3.16Å; R925-W929 WeakPolarHBondContact O-CB 3.33Å; R925-W929 PolarHBondContact O-N 3.36Å
926	G	97.3	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-42.6	173.9	0	0	0	0	0	112.1	M878 F882 A922 F923 R924 W929 A930	M878-G926 WeakPolarHBondContact CE-O 3.27Å; F882-G926 VanDerWaalsContact CD1-CA 3.42Å; A922-G926 PolarHBondContact O-N 2.89Å; F923-G926 PolarHBondContact O-N 2.82Å; R924-G926 PolarHBondContact O-N 3.09Å; G926-W929 WeakPolarHBondContact O-CB 3.45Å; G926-W929 PolarHBondContact O-N 2.88Å; G926-A930 PolarHBondContact O-N 2.86Å
927	V	98.1	Very high	96.4	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.067	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-44.4	173.8	174.4	0	0	0	0	111.2	M878 F908 F923 R924 W929 A930 K931 L997	M878-V927 HydrophobicContact CE-CG2 4.27Å; F908-V927 HydrophobicContact CE2-CG2 4.26Å; F908-V927 HydrophobicContact CZ-CG2 3.72Å; F923-V927 PolarHBondContact O-N 3.1Å; F923-V927 VanDerWaalsContact O-N 3.1Å; R924-V927 WeakPolarHBondContact O-CB 3.44Å; R924-V927 PolarHBondContact O-N 3.48Å; R924-V927 VanDerWaalsContact O-N 3.09Å; V927-W929 VanDerWaalsContact C-N 3.34Å; V927-W929 PolarHBondContact O-N 3.1Å; V927-A930 WeakPolarHBondContact O-CB 3.26Å; V927-A930 PolarHBondContact O-N 3.06Å; V927-K931 HydrophobicContact CG1-CD 3.85Å; V927-K931 HydrophobicContact CG1-CG 4.49Å; V927-K931 WeakPolarHBondContact O-CD 3.37Å; V927-K931 VanDerWaalsContact O-CG 3.3Å; V927-K931 WeakPolarHBondContact O-CG 3.43Å; V927-K931 PolarHBondContact O-N 2.62Å; V927-L997 HydrophobicContact CG1-CB 3.88Å; V927-L997 HydrophobicContact CG2-CB 3.94Å
928	D	97.9	Very high	96.6	Very high	86 Å²	86	52.7 Å²	52.7	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-38.1	177.2	-71.6	-35.6	0	0	0	112.5	R924 R925 K931 S932	R924-D928 PolarHBondContact O-N 3.29Å; R925-D928 PolarHBondContact O-N 3.16Å; D928-K931 PolarHBondContact O-N 3.36Å; D928-K931 IonicContact OD1-NZ 3.26Å; D928-K931 PolarHBondContact OD1-NZ 2.92Å; D928-S932 PolarHBondContact O-N 3.03Å
929	W	97.6	Very high	96.7	Very high	38 Å²	38	48.4 Å²	48.4	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-46.7	171.3	169.8	82.7	0	0	0	111.6	M877 M878 K881 F882 R925 G926 V927 K931 S932 F935	M877-W929 HydrophobicContact CE-CH2 4Å; M877-W929 HydrophobicContact CE-CZ3 4.23Å; M877-W929 HydrophobicContact CG-CH2 4.07Å; M877-W929 HydrophobicContact SD-CH2 4.45Å; M878-W929 HydrophobicContact CB-CZ3 4.35Å; M878-W929 HydrophobicContact CG-CE3 4.22Å; M878-W929 HydrophobicContact CG-CZ3 3.8Å; K881-W929 HydrophobicContact CB-CH2 3.69Å; K881-W929 HydrophobicContact CB-CZ2 3.65Å; K881-W929 HydrophobicContact CG-CH2 4.28Å; K881-W929 HydrophobicContact CG-CZ2 4.41Å; F882-W929 HydrophobicContact CB-CD2 4.13Å; F882-W929 HydrophobicContact CB-CE3 4.09Å; F882-W929 HydrophobicContact CD2-CB 3.61Å; F882-W929 AromaticContact CD2-CD1 3.86Å; F882-W929 AromaticContact CD2-CD2 3.96Å; F882-W929 HydrophobicContact CD2-CD2 3.96Å; F882-W929 AromaticContact CD2-CG 3.49Å; F882-W929 HydrophobicContact CD2-CG 3.49Å; F882-W929 VanDerWaalsContact CD2-CG 3.49Å; F882-W929 HydrophobicContact CE2-CB 3.71Å; F882-W929 HydrophobicContact CE2-CG 4.03Å; F882-W929 HydrophobicContact CG-CB 4.33Å; F882-W929 HydrophobicContact CG-CD2 4.32Å; F882-W929 HydrophobicContact CG-CG 4.24Å; R925-W929 WeakPolarHBondContact O-CB 3.33Å; R925-W929 PolarHBondContact O-N 3.36Å; G926-W929 WeakPolarHBondContact O-CB 3.45Å; G926-W929 PolarHBondContact O-N 2.88Å; V927-W929 VanDerWaalsContact C-N 3.34Å; V927-W929 PolarHBondContact O-N 3.1Å; W929-K931 VanDerWaalsContact C-N 3.33Å; W929-K931 PolarHBondContact O-N 3.34Å; W929-S932 WeakPolarHBondContact O-CB 3.26Å; W929-S932 PolarHBondContact O-N 3.48Å; W929-S932 PolarHBondContact O-OG 2.68Å; W929-F935 HydrophobicContact CH2-CB 4.29Å; W929-F935 AromaticContact CH2-CD1 3.99Å; W929-F935 HydrophobicContact CH2-CD1 3.99Å; W929-F935 HydrophobicContact CH2-CG 4.44Å; W929-F935 HydrophobicContact CZ2-CB 3.9Å; W929-F935 AromaticContact CZ2-CD1 4Å; W929-F935 HydrophobicContact CZ2-CD1 4Å; W929-F935 HydrophobicContact CZ2-CG 4.39Å; W929-F935 HydrophobicContact CZ3-CD1 4.47Å
930	A	97.9	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-41.8	177.3	0	0	0	0	0	112.3	L874 M878 G926 V927 S932 G933 F935 A993	L874-A930 HydrophobicContact CD1-CB 3.88Å; M878-A930 HydrophobicContact CE-CB 4.29Å; M878-A930 HydrophobicContact CG-CB 4.36Å; M878-A930 HydrophobicContact SD-CB 4.28Å; G926-A930 PolarHBondContact O-N 2.86Å; V927-A930 WeakPolarHBondContact O-CB 3.26Å; V927-A930 PolarHBondContact O-N 3.06Å; A930-S932 VanDerWaalsContact C-N 3.34Å; A930-S932 PolarHBondContact O-N 3.17Å; A930-G933 PolarHBondContact O-N 3.08Å; A930-F935 WeakPolarHBondContact O-CE1 3.49Å; A930-A993 HydrophobicContact CB-CB 3.84Å
931	K	97.6	Very high	96.8	Very high	63 Å²	63	49.8 Å²	49.8	27%	0.274	25%	0.246	S	C	.	.	H	α-helix	trans	-67.3	-33	176.7	-68.7	160	54.2	-159.9	0	112.9	V927 D928 W929 G933 V990 A993 E994	V927-K931 HydrophobicContact CG1-CD 3.85Å; V927-K931 HydrophobicContact CG1-CG 4.49Å; V927-K931 WeakPolarHBondContact O-CD 3.37Å; V927-K931 VanDerWaalsContact O-CG 3.3Å; V927-K931 WeakPolarHBondContact O-CG 3.43Å; V927-K931 PolarHBondContact O-N 2.62Å; D928-K931 PolarHBondContact O-N 3.36Å; D928-K931 IonicContact OD1-NZ 3.26Å; D928-K931 PolarHBondContact OD1-NZ 2.92Å; W929-K931 VanDerWaalsContact C-N 3.33Å; W929-K931 PolarHBondContact O-N 3.34Å; K931-G933 PolarHBondContact O-N 3.46Å; K931-V990 WeakPolarHBondContact O-CG1 3.2Å; K931-A993 HydrophobicContact CG-CB 4.17Å; K931-E994 HydrophobicContact CB-CG 4.33Å; K931-E994 HydrophobicContact CG-CG 3.85Å
932	S	97.1	Very high	96.9	Very high	56 Å²	56	48.4 Å²	48.4	39%	0.392	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-20.5	179	79	0	0	0	0	113.2	D928 W929 A930 Q934	D928-S932 PolarHBondContact O-N 3.03Å; W929-S932 WeakPolarHBondContact O-CB 3.26Å; W929-S932 PolarHBondContact O-N 3.48Å; W929-S932 PolarHBondContact O-OG 2.68Å; A930-S932 VanDerWaalsContact C-N 3.34Å; A930-S932 PolarHBondContact O-N 3.17Å; S932-Q934 PolarHBondContact O-N 3.49Å; S932-Q934 WeakPolarHBondContact OG-CB 3.4Å; S932-Q934 WeakPolarHBondContact OG-CG 3.5Å; S932-Q934 PolarHBondContact OG-N 3.36Å
933	G	96.1	Very high	96.9	Very high	13 Å²	13	48.3 Å²	48.3	13%	0.134	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	14.1	-177	0	0	0	0	0	113.8	A930 K931 F935 H986	A930-G933 PolarHBondContact O-N 3.08Å; K931-G933 PolarHBondContact O-N 3.46Å; G933-F935 PolarHBondContact O-N 3.37Å; G933-H986 PolarHBondContact O-NE2 3.15Å
934	Q	93.7	Very high	96.9	Very high	156 Å²	156	48.9 Å²	48.9	73%	0.729	24%	0.237	S	C	*	.			trans	-79.1	56.3	-178.2	-65.2	-178	3.4	0	0	112.2	S932	S932-Q934 PolarHBondContact O-N 3.49Å; S932-Q934 WeakPolarHBondContact OG-CB 3.4Å; S932-Q934 WeakPolarHBondContact OG-CG 3.5Å; S932-Q934 PolarHBondContact OG-N 3.36Å
935	F	95.4	Very high	97	Very high	16 Å²	16	43.1 Å²	43.1	7%	0.07	22%	0.215	C	C	.	.			trans	-138.5	150.2	173.1	47.4	-98.3	0	0	0	109.9	M877 W929 A930 G933 D939 I940 H986 L989 V990	M877-F935 HydrophobicContact CE-CD1 3.66Å; M877-F935 HydrophobicContact CE-CD2 3.79Å; M877-F935 HydrophobicContact CE-CE1 3.64Å; M877-F935 HydrophobicContact CE-CE2 3.77Å; M877-F935 HydrophobicContact CE-CG 3.74Å; M877-F935 HydrophobicContact CE-CZ 3.71Å; M877-F935 HydrophobicContact SD-CB 4.2Å; M877-F935 HydrophobicContact SD-CD1 4.34Å; M877-F935 HydrophobicContact SD-CD2 3.7Å; M877-F935 HydrophobicContact SD-CE2 4.15Å; M877-F935 HydrophobicContact SD-CG 3.82Å; W929-F935 HydrophobicContact CH2-CB 4.29Å; W929-F935 AromaticContact CH2-CD1 3.99Å; W929-F935 HydrophobicContact CH2-CD1 3.99Å; W929-F935 HydrophobicContact CH2-CG 4.44Å; W929-F935 HydrophobicContact CZ2-CB 3.9Å; W929-F935 AromaticContact CZ2-CD1 4Å; W929-F935 HydrophobicContact CZ2-CD1 4Å; W929-F935 HydrophobicContact CZ2-CG 4.39Å; W929-F935 HydrophobicContact CZ3-CD1 4.47Å; A930-F935 WeakPolarHBondContact O-CE1 3.49Å; G933-F935 PolarHBondContact O-N 3.37Å; F935-D939 HydrophobicContact CB-CB 4.3Å; F935-I940 HydrophobicContact CD2-CD1 4.25Å; F935-I940 HydrophobicContact CD2-CG1 4.13Å; F935-I940 HydrophobicContact CE2-CD1 4.13Å; F935-I940 HydrophobicContact CE2-CG1 4.31Å; F935-H986 AromaticContact CD2-CD2 3.64Å; F935-H986 AromaticContact CD2-NE2 3.96Å; F935-H986 AromaticContact CE2-CD2 3.3Å; F935-H986 WeakPolarHBondContact CE2-CD2 3.18Å; F935-H986 AromaticContact CE2-CG 3.98Å; F935-H986 AromaticContact CE2-NE2 3.61Å; F935-L989 HydrophobicContact CE2-CB 4.32Å; F935-L989 HydrophobicContact CE2-CD1 3.99Å; F935-L989 HydrophobicContact CZ-CB 4Å; F935-L989 HydrophobicContact CZ-CD1 4.42Å; F935-V990 HydrophobicContact CE1-CG2 4.5Å; F935-V990 HydrophobicContact CZ-CG2 3.97Å
936	S	95.6	Very high	96.9	Very high	55 Å²	55	37.6 Å²	37.6	39%	0.385	20%	0.196	S	C	.	.			trans	-87.9	167.5	-174.8	70.3	0	0	0	0	112.4	Q938 D939 I940	S936-Q938 PolarHBondContact O-N 3.25Å; S936-Q938 PolarHBondContact OG-N 3.47Å; S936-D939 WeakPolarHBondContact CB-OD2 3.42Å; S936-D939 PolarHBondContact N-OD2 3.22Å; S936-D939 PolarHBondContact O-N 3.38Å; S936-D939 PolarHBondContact OG-N 2.95Å; S936-D939 PolarHBondContact OG-OD2 3.04Å; S936-I940 PolarHBondContact O-N 3.36Å
937	Q	96.4	Very high	96.9	Very high	99 Å²	99	38.4 Å²	38.4	46%	0.463	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-33.5	170.8	-175.4	57.9	49.5	0	0	111.9	D939 I940 D941	Q937-D939 VanDerWaalsContact C-N 3.31Å; Q937-D939 PolarHBondContact O-N 2.91Å; Q937-I940 WeakPolarHBondContact O-CB 3.23Å; Q937-I940 PolarHBondContact O-N 2.83Å; Q937-D941 PolarHBondContact NE2-OD1 3.48Å; Q937-D941 PolarHBondContact O-N 3.29Å
938	Q	95.3	Very high	96.9	Very high	87 Å²	87	37.9 Å²	37.9	41%	0.407	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-39.1	176	-178.3	64.5	27.1	0	0	111.5	S936 I940 D941 E942	S936-Q938 PolarHBondContact O-N 3.25Å; S936-Q938 PolarHBondContact OG-N 3.47Å; Q938-I940 VanDerWaalsContact C-N 3.27Å; Q938-I940 PolarHBondContact O-N 3.45Å; Q938-D941 PolarHBondContact O-N 3.49Å; Q938-E942 HydrophobicContact CG-CG 4.46Å; Q938-E942 PolarHBondContact NE2-OE1 2.8Å; Q938-E942 WeakPolarHBondContact O-CB 3.37Å; Q938-E942 WeakPolarHBondContact O-CG 2.99Å; Q938-E942 PolarHBondContact O-N 3.24Å
939	D	95.9	Very high	96.7	Very high	22 Å²	22	34.6 Å²	34.6	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-35	176.8	-59.2	-51.6	0	0	0	111.8	M877 K881 F935 S936 Q937 A943	M877-D939 HydrophobicContact CG-CB 4.45Å; M877-D939 HydrophobicContact SD-CB 4.33Å; K881-D939 HydrophobicContact CD-CB 4.33Å; K881-D939 WeakPolarHBondContact CD-OD1 3.36Å; K881-D939 WeakPolarHBondContact CE-OD1 3.48Å; K881-D939 HydrophobicContact CG-CB 4.31Å; K881-D939 IonicContact NZ-OD1 2.75Å; K881-D939 PolarHBondContact NZ-OD1 3.4Å; F935-D939 HydrophobicContact CB-CB 4.3Å; S936-D939 WeakPolarHBondContact CB-OD2 3.42Å; S936-D939 PolarHBondContact N-OD2 3.22Å; S936-D939 PolarHBondContact O-N 3.38Å; S936-D939 PolarHBondContact OG-N 2.95Å; S936-D939 PolarHBondContact OG-OD2 3.04Å; Q937-D939 VanDerWaalsContact C-N 3.31Å; Q937-D939 PolarHBondContact O-N 2.91Å; D939-A943 VanDerWaalsContact O-CB 3.31Å; D939-A943 WeakPolarHBondContact O-CB 3.1Å; D939-A943 PolarHBondContact O-N 2.82Å
940	I	98.1	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-45	174.9	-59	173.8	0	0	0	110.2	M877 F935 S936 Q937 Q938 E942 A943 K944 H986 L989	M877-I940 HydrophobicContact SD-CG1 4.14Å; F935-I940 HydrophobicContact CD2-CD1 4.25Å; F935-I940 HydrophobicContact CD2-CG1 4.13Å; F935-I940 HydrophobicContact CE2-CD1 4.13Å; F935-I940 HydrophobicContact CE2-CG1 4.31Å; S936-I940 PolarHBondContact O-N 3.36Å; Q937-I940 WeakPolarHBondContact O-CB 3.23Å; Q937-I940 PolarHBondContact O-N 2.83Å; Q938-I940 VanDerWaalsContact C-N 3.27Å; Q938-I940 PolarHBondContact O-N 3.45Å; I940-E942 VanDerWaalsContact C-N 3.34Å; I940-A943 PolarHBondContact O-N 3.47Å; I940-K944 WeakPolarHBondContact O-CG 3.38Å; I940-K944 PolarHBondContact O-N 3.33Å; I940-H986 HydrophobicContact CD1-CB 3.76Å; I940-L989 HydrophobicContact CD1-CD1 3.9Å; I940-L989 HydrophobicContact CG1-CD1 3.72Å; I940-L989 HydrophobicContact CG2-CD1 4.25Å
941	D	97.9	Very high	96.1	Very high	44 Å²	44	39.3 Å²	39.3	24%	0.235	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-38.3	-179.6	-69.6	-9.7	0	0	0	111.6	V559 Q937 Q938 K944 L945	V559-D941 HydrophobicContact CG2-CB 3.7Å; Q937-D941 PolarHBondContact NE2-OD1 3.48Å; Q937-D941 PolarHBondContact O-N 3.29Å; Q938-D941 PolarHBondContact O-N 3.49Å; D941-K944 WeakPolarHBondContact O-CB 3.49Å; D941-K944 PolarHBondContact O-N 2.8Å; D941-L945 WeakPolarHBondContact O-CG 3.44Å; D941-L945 PolarHBondContact O-N 3.3Å
942	E	97.6	Very high	95.9	Very high	17 Å²	17	38.4 Å²	38.4	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-40.8	173.4	-74.4	-178.9	-172.2	0	0	112.3	N125 R126 Q938 I940 K944 L945 S946	N125-E942 HydrophobicContact CB-CB 3.87Å; N125-E942 CarbonylContact O-C 3.48Å; N125-E942 WeakPolarHBondContact O-CA 3.3Å; N125-E942 VanDerWaalsContact O-CB 3.22Å; N125-E942 WeakPolarHBondContact O-CB 3.43Å; N125-E942 WeakPolarHBondContact O-CG 3.41Å; R126-E942 HydrophobicContact CG-CG 3.97Å; R126-E942 IonicContact CZ-OE1 2.93Å; R126-E942 IonicContact NH1-OE1 3.24Å; R126-E942 PolarHBondContact NH1-OE1 3.4Å; Q938-E942 HydrophobicContact CG-CG 4.46Å; Q938-E942 PolarHBondContact NE2-OE1 2.8Å; Q938-E942 WeakPolarHBondContact O-CB 3.37Å; Q938-E942 WeakPolarHBondContact O-CG 2.99Å; Q938-E942 PolarHBondContact O-N 3.24Å; I940-E942 VanDerWaalsContact C-N 3.34Å; E942-K944 VanDerWaalsContact C-N 3.28Å; E942-K944 PolarHBondContact O-N 3.02Å; E942-L945 PolarHBondContact O-N 3.46Å; E942-S946 PolarHBondContact O-N 2.87Å
943	A	97.8	Very high	95.6	Very high	3 Å²	3	38 Å²	38	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-36.8	172.6	0	0	0	0	0	111.8	I873 M877 D939 I940 S946 V947	I873-A943 HydrophobicContact CG2-CB 3.92Å; M877-A943 HydrophobicContact CB-CB 3.8Å; M877-A943 HydrophobicContact CG-CB 4.29Å; D939-A943 VanDerWaalsContact O-CB 3.31Å; D939-A943 WeakPolarHBondContact O-CB 3.1Å; D939-A943 PolarHBondContact O-N 2.82Å; I940-A943 PolarHBondContact O-N 3.47Å; A943-S946 PolarHBondContact O-N 3.36Å; A943-V947 WeakPolarHBondContact O-CG2 3.35Å; A943-V947 PolarHBondContact O-N 2.79Å
944	K	98.3	Very high	95.3	Very high	12 Å²	12	38.8 Å²	38.8	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-52.9	171.9	-75	174.8	-177.7	179.5	0	111.1	V559 I873 I940 D941 E942 S946 V947 F948 L981 F982 V984	V559-K944 HydrophobicContact CG1-CD 4.46Å; V559-K944 HydrophobicContact CG2-CB 4.37Å; V559-K944 HydrophobicContact CG2-CD 4.27Å; I873-K944 HydrophobicContact CD1-CB 4.24Å; I873-K944 HydrophobicContact CD1-CG 3.67Å; I873-K944 HydrophobicContact CG1-CG 4.46Å; I940-K944 WeakPolarHBondContact O-CG 3.38Å; I940-K944 PolarHBondContact O-N 3.33Å; D941-K944 WeakPolarHBondContact O-CB 3.49Å; D941-K944 PolarHBondContact O-N 2.8Å; E942-K944 VanDerWaalsContact C-N 3.28Å; E942-K944 PolarHBondContact O-N 3.02Å; K944-S946 VanDerWaalsContact C-N 3.25Å; K944-S946 PolarHBondContact O-N 2.91Å; K944-V947 PolarHBondContact O-N 2.75Å; K944-V947 VanDerWaalsContact O-N 3.12Å; K944-F948 HydrophobicContact CB-CD2 4.32Å; K944-F948 WeakPolarHBondContact O-CB 3.46Å; K944-F948 WeakPolarHBondContact O-CD2 3.37Å; K944-F948 PolarHBondContact O-N 3.33Å; K944-L981 WeakPolarHBondContact CE-O 3.47Å; K944-F982 PolarHBondContact NZ-O 2.58Å; K944-V984 VanDerWaalsContact CE-O 3.26Å; K944-V984 WeakPolarHBondContact CE-O 3.49Å; K944-V984 PolarHBondContact NZ-O 2.92Å
945	L	97.7	Very high	95.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-52.5	-46.7	177.9	-74	168.7	0	0	0	111.3	L128 L557 I562 D941 E942 V947 F948 S949	L128-L945 HydrophobicContact CD2-CD2 4.1Å; L128-L945 WeakPolarHBondContact CD2-O 3.4Å; L128-L945 HydrophobicContact CG-CD2 4.19Å; L557-L945 HydrophobicContact CB-CD1 4.36Å; L557-L945 HydrophobicContact CB-CD2 4Å; L557-L945 WeakPolarHBondContact O-CD1 3.25Å; I562-L945 HydrophobicContact CD1-CD2 3.95Å; I562-L945 HydrophobicContact CG1-CD2 3.97Å; D941-L945 WeakPolarHBondContact O-CG 3.44Å; D941-L945 PolarHBondContact O-N 3.3Å; E942-L945 PolarHBondContact O-N 3.46Å; L945-V947 PolarHBondContact O-N 2.83Å; L945-F948 PolarHBondContact O-N 3.3Å; L945-S949 PolarHBondContact O-N 3.42Å
946	S	96.2	Very high	94.9	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-41.2	178.9	-172	0	0	0	0	113.2	R876 E942 A943 K944 F948 S949 A950	R876-S946 WeakPolarHBondContact CD-OG 3.28Å; R876-S946 PolarHBondContact NE-OG 2.71Å; R876-S946 PolarHBondContact NH2-OG 2.98Å; E942-S946 PolarHBondContact O-N 2.87Å; A943-S946 PolarHBondContact O-N 3.36Å; K944-S946 VanDerWaalsContact C-N 3.25Å; K944-S946 PolarHBondContact O-N 2.91Å; S946-F948 VanDerWaalsContact C-N 3.35Å; S946-F948 PolarHBondContact O-N 3.15Å; S946-S949 PolarHBondContact O-N 3.29Å; S946-S949 PolarHBondContact O-OG 2.84Å; S946-A950 PolarHBondContact O-N 3.48Å
947	V	97.1	Very high	94.6	Very high	16 Å²	16	32.9 Å²	32.9	10%	0.097	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-40.8	174.1	170.4	0	0	0	0	111.4	I873 R876 A943 K944 L945 A950 V951 L981	I873-V947 HydrophobicContact CD1-CB 3.91Å; I873-V947 HydrophobicContact CD1-CG1 4.3Å; I873-V947 HydrophobicContact CD1-CG2 3.86Å; R876-V947 HydrophobicContact CB-CG2 3.91Å; R876-V947 HydrophobicContact CG-CG2 4.35Å; A943-V947 WeakPolarHBondContact O-CG2 3.35Å; A943-V947 PolarHBondContact O-N 2.79Å; K944-V947 PolarHBondContact O-N 2.75Å; K944-V947 VanDerWaalsContact O-N 3.12Å; L945-V947 PolarHBondContact O-N 2.83Å; V947-A950 PolarHBondContact O-N 3.47Å; V947-V951 HydrophobicContact CG1-CG1 4.5Å; V947-V951 PolarHBondContact O-N 3.04Å; V947-L981 HydrophobicContact CG1-CD1 3.95Å; V947-L981 HydrophobicContact CG1-CD2 3.91Å
948	F	96.9	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-36.6	176.1	-82.3	-71.2	0	0	0	113	L128 I562 K944 L945 S946 A950 V951 D952 R978 L981 F982	L128-F948 HydrophobicContact CD2-CB 3.89Å; I562-F948 HydrophobicContact CD1-CB 4.03Å; I562-F948 HydrophobicContact CD1-CD2 3.47Å; I562-F948 VanDerWaalsContact CD1-CD2 3.47Å; I562-F948 HydrophobicContact CD1-CE2 4.1Å; I562-F948 HydrophobicContact CD1-CG 3.84Å; I562-F948 HydrophobicContact CG1-CB 4.34Å; I562-F948 HydrophobicContact CG1-CD2 4.49Å; I562-F948 HydrophobicContact CG1-CG 4.41Å; I562-F948 HydrophobicContact CG2-CB 4.12Å; I562-F948 HydrophobicContact CG2-CD1 3.65Å; I562-F948 HydrophobicContact CG2-CD2 4.22Å; I562-F948 HydrophobicContact CG2-CE1 4.08Å; I562-F948 HydrophobicContact CG2-CG 3.73Å; K944-F948 HydrophobicContact CB-CD2 4.32Å; K944-F948 WeakPolarHBondContact O-CB 3.46Å; K944-F948 WeakPolarHBondContact O-CD2 3.37Å; K944-F948 PolarHBondContact O-N 3.33Å; L945-F948 PolarHBondContact O-N 3.3Å; S946-F948 VanDerWaalsContact C-N 3.35Å; S946-F948 PolarHBondContact O-N 3.15Å; F948-A950 PolarHBondContact O-N 2.98Å; F948-V951 HydrophobicContact CD1-CG2 3.86Å; F948-V951 HydrophobicContact CE1-CG2 4.41Å; F948-V951 PolarHBondContact O-N 3.21Å; F948-D952 VanDerWaalsContact O-CB 3.23Å; F948-D952 WeakPolarHBondContact O-CB 3.47Å; F948-D952 PolarHBondContact O-N 3.44Å; F948-R978 HydrophobicContact CE1-CB 4.49Å; F948-R978 HydrophobicContact CE1-CG 3.87Å; F948-R978 VanDerWaalsContact CE1-CZ 3.46Å; F948-R978 HydrophobicContact CZ-CG 4.23Å; F948-L981 HydrophobicContact CE1-CD1 4.29Å; F948-L981 HydrophobicContact CE2-CB 3.98Å; F948-L981 HydrophobicContact CZ-CB 3.74Å; F948-L981 HydrophobicContact CZ-CD1 4.14Å; F948-F982 HydrophobicContact CE1-CE2 4.11Å; F948-F982 HydrophobicContact CE1-CZ 4.12Å; F948-F982 HydrophobicContact CE2-CD1 4.04Å; F948-F982 AromaticContact CE2-CE1 3.91Å; F948-F982 HydrophobicContact CE2-CE1 3.91Å; F948-F982 HydrophobicContact CE2-CG 4.41Å; F948-F982 HydrophobicContact CE2-CZ 4.18Å; F948-F982 HydrophobicContact CZ-CD1 4.08Å; F948-F982 AromaticContact CZ-CD2 3.89Å; F948-F982 HydrophobicContact CZ-CD2 3.89Å; F948-F982 AromaticContact CZ-CE1 3.9Å; F948-F982 HydrophobicContact CZ-CE1 3.9Å; F948-F982 AromaticContact CZ-CE2 3.71Å; F948-F982 HydrophobicContact CZ-CE2 3.71Å; F948-F982 HydrophobicContact CZ-CG 4.07Å; F948-F982 AromaticContact CZ-CZ 3.71Å; F948-F982 HydrophobicContact CZ-CZ 3.71Å
949	S	94.1	Very high	94.4	Very high	17 Å²	17	27.4 Å²	27.4	12%	0.119	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-37.9	173.5	78.3	0	0	0	0	112.3	L945 S946 S953	L945-S949 PolarHBondContact O-N 3.42Å; S946-S949 PolarHBondContact O-N 3.29Å; S946-S949 PolarHBondContact O-OG 2.84Å; S949-S953 PolarHBondContact O-N 3.38Å; S949-S953 PolarHBondContact O-OG 2.83Å
950	A	91.4	Very high	94.3	Very high	68 Å²	68	29 Å²	29	56%	0.562	18%	0.176	S	C	*	.	H	α-helix	trans	-77.5	-43.6	178.8	0	0	0	0	0	112.7	S946 V947 F948 S953	S946-A950 PolarHBondContact O-N 3.48Å; V947-A950 PolarHBondContact O-N 3.47Å; F948-A950 PolarHBondContact O-N 2.98Å; A950-S953 WeakPolarHBondContact O-CB 3.43Å; A950-S953 PolarHBondContact O-OG 3.29Å
951	V	92.6	Very high	94.1	Very high	69 Å²	69	29.3 Å²	29.3	42%	0.418	18%	0.18	S	C	.	.	H	α-helix	trans	-78.6	-22.8	-177.2	-58	0	0	0	0	113.6	V947 F948 Y977	V947-V951 HydrophobicContact CG1-CG1 4.5Å; V947-V951 PolarHBondContact O-N 3.04Å; F948-V951 HydrophobicContact CD1-CG2 3.86Å; F948-V951 HydrophobicContact CE1-CG2 4.41Å; F948-V951 PolarHBondContact O-N 3.21Å; V951-Y977 HydrophobicContact CG1-CE1 4.28Å
952	D	92.8	Very high	93.9	Very high	45 Å²	45	28 Å²	28	24%	0.241	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8	176.5	-62.7	-21.3	0	0	0	113.1	Q148 F948 R978	Q148-D952 PolarHBondContact NE2-O 3.4Å; F948-D952 VanDerWaalsContact O-CB 3.23Å; F948-D952 WeakPolarHBondContact O-CB 3.47Å; F948-D952 PolarHBondContact O-N 3.44Å; D952-R978 IonicContact OD1-CZ 2.91Å; D952-R978 IonicContact OD1-NH1 2.71Å; D952-R978 PolarHBondContact OD1-NH1 3.01Å; D952-R978 IonicContact OD1-NH2 3.35Å; D952-R978 PolarHBondContact OD1-NH2 2.88Å; D952-R978 IonicContact OD2-CZ 3.87Å; D952-R978 IonicContact OD2-NH1 3.25Å; D952-R978 PolarHBondContact OD2-NH1 3.25Å; D952-R978 IonicContact OD2-NH2 3.82Å; D952-R978 PolarHBondContact OD2-NH2 2.72Å
953	S	90	Very high	93.7	Very high	47 Å²	47	29.1 Å²	29.1	33%	0.329	18%	0.183	S	C	.	.	S	Bend	trans	-52.8	142.3	172.9	-77.5	0	0	0	0	110.7	S949 A950	S949-S953 PolarHBondContact O-N 3.38Å; S949-S953 PolarHBondContact O-OG 2.83Å; A950-S953 WeakPolarHBondContact O-CB 3.43Å; A950-S953 PolarHBondContact O-OG 3.29Å
954	P	89.4	Confident	93.5	Very high	30 Å²	30	31.5 Å²	31.5	20%	0.195	19%	0.192	C	C	.	.			trans	-53.2	145.2	-179.3	-21.1	25.1	0	0	0	111.5	N82 T130 Q148 T438	N82-P954 HydrophobicContact CB-CG 3.93Å; T130-P954 HydrophobicContact CG2-CG 3.79Å; Q148-P954 HydrophobicContact CG-CG 4.13Å; T438-P954 HydrophobicContact CG2-CB 4.19Å; T438-P954 VanDerWaalsContact CG2-O 3.25Å; T438-P954 WeakPolarHBondContact CG2-O 3.48Å
955	V	90.9	Very high	93.3	Very high	69 Å²	69	31.2 Å²	31.2	42%	0.418	19%	0.19	S	C	.	.			trans	-116.2	121.6	175.8	-179.3	0	0	0	0	108.1	D959 K960	V955-D959 HydrophobicContact CG1-CB 3.98Å; V955-K960 HydrophobicContact CB-CD 4.11Å; V955-K960 HydrophobicContact CG1-CD 3.95Å; V955-K960 HydrophobicContact CG1-CG 4.19Å; V955-K960 WeakPolarHBondContact O-CE 3.46Å
956	A	90.1	Very high	93.1	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	21%	0.207	C	C	.	.			trans	-58.8	150.6	179.7	0	0	0	0	0	111.4	T438 S958 D959 K960	T438-A956 HydrophobicContact CG2-CB 3.82Å; A956-S958 WeakPolarHBondContact CB-OG 3.49Å; A956-S958 PolarHBondContact O-N 3.28Å; A956-S958 VanDerWaalsContact O-N 3.1Å; A956-D959 PolarHBondContact O-N 2.88Å; A956-K960 PolarHBondContact O-N 2.89Å
957	P	90.3	Very high	92.9	Very high	25 Å²	25	36.6 Å²	36.6	16%	0.162	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-36.3	171.2	-31.2	38.1	0	0	0	113.5	Q436 Q586 P587 T588 N779 D959	Q436-P957 HydrophobicContact CB-CG 4.03Å; Q586-P957 HydrophobicContact CB-CB 3.98Å; Q586-P957 WeakPolarHBondContact CG-O 3.48Å; P587-P957 HydrophobicContact CG-CG 4.49Å; T588-P957 HydrophobicContact CG2-CB 4.16Å; N779-P957 PolarHBondContact ND2-O 3.36Å; P957-D959 VanDerWaalsContact C-N 3.26Å; P957-D959 PolarHBondContact O-N 3.35Å
958	S	92.7	Very high	92.6	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.021	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.8	176.9	50.9	0	0	0	0	114.3	Y593 R595 A956	Y593-S958 VanDerWaalsContact CE1-CB 3.48Å; R595-S958 PolarHBondContact NH1-O 2.82Å; R595-S958 PolarHBondContact NH2-O 2.82Å; A956-S958 WeakPolarHBondContact CB-OG 3.49Å; A956-S958 PolarHBondContact O-N 3.28Å; A956-S958 VanDerWaalsContact O-N 3.1Å
959	D	94.1	Very high	92.4	Very high	68 Å²	68	37.5 Å²	37.5	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-2.1	-168	-66.2	-63.6	0	0	0	114.2	R595 V955 A956 P957 G961 T962	R595-D959 IonicContact CZ-OD1 2.84Å; R595-D959 IonicContact NH2-OD1 3.71Å; R595-D959 PolarHBondContact NH2-OD1 3.17Å; V955-D959 HydrophobicContact CG1-CB 3.98Å; A956-D959 PolarHBondContact O-N 2.88Å; P957-D959 VanDerWaalsContact C-N 3.26Å; P957-D959 PolarHBondContact O-N 3.35Å; D959-G961 PolarHBondContact O-N 3.22Å; D959-T962 WeakPolarHBondContact CA-OG1 3.46Å; D959-T962 WeakPolarHBondContact O-CB 3.3Å; D959-T962 PolarHBondContact O-N 2.98Å; D959-T962 VanDerWaalsContact O-N 3.08Å; D959-T962 PolarHBondContact O-OG1 3.49Å
960	K	94.6	Very high	92.3	Very high	55 Å²	55	37.1 Å²	37.1	24%	0.239	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	132.8	171.3	-71.1	-73.7	-172.1	-179.9	0	110.5	T569 Q586 N779 V955 A956 T962	T569-K960 HydrophobicContact CG2-CB 4.13Å; Q586-K960 HydrophobicContact CG-CB 3.91Å; Q586-K960 HydrophobicContact CG-CG 4.22Å; N779-K960 PolarHBondContact ND2-O 2.83Å; V955-K960 HydrophobicContact CB-CD 4.11Å; V955-K960 HydrophobicContact CG1-CD 3.95Å; V955-K960 HydrophobicContact CG1-CG 4.19Å; V955-K960 WeakPolarHBondContact O-CE 3.46Å; A956-K960 PolarHBondContact O-N 2.89Å; K960-T962 PolarHBondContact O-N 2.71Å
961	G	94.3	Very high	92.4	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-5.6	-177.6	0	0	0	0	0	114.9	Q582 D959 S963 R964 F965	Q582-G961 PolarHBondContact NE2-O 3.29Å; D959-G961 PolarHBondContact O-N 3.22Å; G961-S963 VanDerWaalsContact C-N 3.31Å; G961-S963 PolarHBondContact O-N 3.07Å; G961-R964 PolarHBondContact O-N 3.29Å; G961-F965 PolarHBondContact O-N 2.94Å; G961-F965 VanDerWaalsContact O-N 3.07Å
962	T	93.8	Very high	92.5	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-33.1	-177.8	-66.3	0	0	0	0	113	D959 K960 F965 R966	D959-T962 WeakPolarHBondContact CA-OG1 3.46Å; D959-T962 WeakPolarHBondContact O-CB 3.3Å; D959-T962 PolarHBondContact O-N 2.98Å; D959-T962 VanDerWaalsContact O-N 3.08Å; D959-T962 PolarHBondContact O-OG1 3.49Å; K960-T962 PolarHBondContact O-N 2.71Å; T962-F965 PolarHBondContact O-N 2.86Å; T962-R966 HydrophobicContact CG2-CG 3.85Å; T962-R966 WeakPolarHBondContact O-CB 3.49Å; T962-R966 WeakPolarHBondContact O-CG 3.44Å; T962-R966 PolarHBondContact O-N 3.48Å
963	S	92.3	Very high	92.6	Very high	41 Å²	41	36.8 Å²	36.8	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-45.9	176.2	175.8	0	0	0	0	111.9	G961 S967 G968 K974	G961-S963 VanDerWaalsContact C-N 3.31Å; G961-S963 PolarHBondContact O-N 3.07Å; S963-S967 PolarHBondContact O-N 2.97Å; S963-S967 PolarHBondContact O-OG 3.23Å; S963-G968 PolarHBondContact O-N 3.47Å; S963-K974 VanDerWaalsContact OG-CE 3.3Å; S963-K974 WeakPolarHBondContact OG-CE 3.35Å
964	R	93.6	Very high	92.9	Very high	52 Å²	52	37.2 Å²	37.2	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-46.6	174	-174.6	177.6	178.5	169	2.8	111	V571 D819 G961 G968 V969	V571-R964 VanDerWaalsContact CG2-NH1 3.27Å; D819-R964 IonicContact OD1-NH2 3.73Å; D819-R964 PolarHBondContact OD1-NH2 2.93Å; D819-R964 IonicContact OD2-NH2 2.71Å; G961-R964 PolarHBondContact O-N 3.29Å; R964-G968 WeakPolarHBondContact O-CA 3.43Å; R964-G968 PolarHBondContact O-N 3.36Å; R964-V969 WeakPolarHBondContact CA-O 3.32Å; R964-V969 PolarHBondContact N-O 2.94Å
965	F	95.3	Very high	93.3	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-46.2	179.9	172.8	-108.3	0	0	0	113.5	R595 M597 L663 R775 C776 A777 G961 T962	R595-F965 HydrophobicContact CB-CE1 3.83Å; R595-F965 HydrophobicContact CB-CZ 4.16Å; M597-F965 HydrophobicContact CB-CE1 4.41Å; M597-F965 HydrophobicContact CB-CZ 3.97Å; L663-F965 HydrophobicContact CD1-CE1 3.98Å; R775-F965 HydrophobicContact CB-CE2 4.29Å; R775-F965 HydrophobicContact CG-CD2 4.4Å; R775-F965 HydrophobicContact CG-CE2 3.65Å; R775-F965 HydrophobicContact CG-CZ 4.19Å; R775-F965 PolarHBondContact NE-O 3.4Å; R775-F965 PolarHBondContact NH2-O 3.36Å; R775-F965 VanDerWaalsContact NH2-O 3.12Å; C776-F965 WeakPolarHBondContact O-CE2 3.14Å; A777-F965 HydrophobicContact CB-CB 4.37Å; A777-F965 HydrophobicContact CB-CD1 4.11Å; A777-F965 HydrophobicContact CB-CD2 3.61Å; A777-F965 HydrophobicContact CB-CE1 4.31Å; A777-F965 HydrophobicContact CB-CE2 3.81Å; A777-F965 HydrophobicContact CB-CG 3.76Å; A777-F965 HydrophobicContact CB-CZ 4.16Å; G961-F965 PolarHBondContact O-N 2.94Å; G961-F965 VanDerWaalsContact O-N 3.07Å; T962-F965 PolarHBondContact O-N 2.86Å
966	R	93.6	Very high	93.5	Very high	95 Å²	95	35.8 Å²	35.8	36%	0.358	19%	0.191	S	C	.	.	H	α-helix	trans	-78.4	-61.1	-176.5	-71.1	177.3	70.4	-165.5	-0.9	111.2	M597 R775 R828 T962	M597-R966 HydrophobicContact CE-CG 4.42Å; R775-R966 PolarHBondContact NH2-O 3.17Å; R828-R966 PolarHBondContact NH2-O 2.63Å; T962-R966 HydrophobicContact CG2-CG 3.85Å; T962-R966 WeakPolarHBondContact O-CB 3.49Å; T962-R966 WeakPolarHBondContact O-CG 3.44Å; T962-R966 PolarHBondContact O-N 3.48Å
967	S	90.3	Very high	93.8	Very high	30 Å²	30	36.5 Å²	36.5	21%	0.21	19%	0.192	C	C	.	.	H	α-helix	trans	-104.2	-1.3	-168.4	58.8	0	0	0	0	114.8	R828 S963 V969	R828-S967 PolarHBondContact NH1-O 3.39Å; S963-S967 PolarHBondContact O-N 2.97Å; S963-S967 PolarHBondContact O-OG 3.23Å; S967-V969 PolarHBondContact O-N 2.85Å; S967-V969 WeakPolarHBondContact OG-CG2 3.42Å
968	G	91.4	Very high	94.2	Very high	21 Å²	21	35.6 Å²	35.6	22%	0.216	19%	0.185	C	C	.	.			trans	68.9	11.9	-176.7	0	0	0	0	0	113.5	S963 R964 T970	S963-G968 PolarHBondContact O-N 3.47Å; R964-G968 WeakPolarHBondContact O-CA 3.43Å; R964-G968 PolarHBondContact O-N 3.36Å; G968-T970 PolarHBondContact O-N 2.94Å
969	V	92.5	Very high	94.5	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.085	21%	0.208	C	C	.	.			trans	-78.2	113.2	178.1	174.2	0	0	0	0	108.4	C652 F863 R964 S967 M973 K974	C652-V969 HydrophobicContact CB-CG2 4.38Å; F863-V969 HydrophobicContact CE1-CG1 4.03Å; F863-V969 HydrophobicContact CZ-CG1 4.3Å; R964-V969 WeakPolarHBondContact CA-O 3.32Å; R964-V969 PolarHBondContact N-O 2.94Å; S967-V969 PolarHBondContact O-N 2.85Å; S967-V969 WeakPolarHBondContact OG-CG2 3.42Å; V969-M973 HydrophobicContact CG1-CB 4.26Å; V969-M973 HydrophobicContact CG2-CE 4.26Å; V969-K974 HydrophobicContact CG1-CG 3.76Å
970	T	93.1	Very high	94.6	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	20%	0.202	C	C	.	.			trans	-85.4	168.7	179.3	75.6	0	0	0	0	112	P820 G968 E972 M973 K974	P820-T970 HydrophobicContact CG-CG2 3.75Å; G968-T970 PolarHBondContact O-N 2.94Å; T970-E972 VanDerWaalsContact C-N 3.27Å; T970-E972 WeakPolarHBondContact CB-OE2 3.36Å; T970-E972 PolarHBondContact O-N 3.29Å; T970-E972 PolarHBondContact OG1-N 2.77Å; T970-E972 PolarHBondContact OG1-OE2 3.04Å; T970-M973 HydrophobicContact CG2-SD 4.29Å; T970-M973 PolarHBondContact N-SD 2.76Å; T970-M973 PolarHBondContact O-N 3.45Å; T970-M973 PolarHBondContact OG1-N 3.17Å; T970-K974 WeakPolarHBondContact O-CG 3.4Å; T970-K974 PolarHBondContact O-N 2.82Å
971	D	93.7	Very high	94.8	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-27.4	177.7	-67.5	-29.4	0	0	0	111.8	I566 F568 T569 K974 Q975	I566-D971 HydrophobicContact CD1-CB 4.23Å; F568-D971 HydrophobicContact CD1-CB 4.12Å; F568-D971 HydrophobicContact CD2-CB 4.04Å; F568-D971 HydrophobicContact CE1-CB 4.27Å; F568-D971 HydrophobicContact CE2-CB 4.21Å; F568-D971 HydrophobicContact CG-CB 4Å; F568-D971 HydrophobicContact CZ-CB 4.32Å; T569-D971 PolarHBondContact N-OD2 3.47Å; D971-K974 PolarHBondContact O-N 3.09Å; D971-K974 IonicContact OD1-NZ 3.77Å; D971-K974 PolarHBondContact OD1-NZ 2.87Å; D971-Q975 VanDerWaalsContact O-CB 3.24Å; D971-Q975 WeakPolarHBondContact O-CB 3.46Å; D971-Q975 PolarHBondContact O-N 3.33Å
972	E	94.4	Very high	95	Very high	109 Å²	109	39.3 Å²	39.3	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-64.1	-41.5	170.3	-58	75.1	-162.9	0	0	111.5	F568 T970 Q975 S976	F568-E972 HydrophobicContact CE2-CG 4.16Å; F568-E972 WeakPolarHBondContact CE2-OE1 3.48Å; F568-E972 HydrophobicContact CZ-CG 4.47Å; T970-E972 VanDerWaalsContact C-N 3.27Å; T970-E972 WeakPolarHBondContact CB-OE2 3.36Å; T970-E972 PolarHBondContact O-N 3.29Å; T970-E972 PolarHBondContact OG1-N 2.77Å; T970-E972 PolarHBondContact OG1-OE2 3.04Å; E972-Q975 PolarHBondContact O-N 3.17Å; E972-S976 WeakPolarHBondContact O-CB 3.32Å; E972-S976 PolarHBondContact O-N 2.55Å
973	M	94.7	Very high	95.2	Very high	46 Å²	46	41.9 Å²	41.9	23%	0.227	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-41.2	176.2	-65.3	167.2	67.5	0	0	111.5	C652 F863 C864 V969 T970 Q975 S976 Y977	C652-M973 HydrophobicContact CB-CE 3.91Å; C652-M973 WeakPolarHBondContact SG-CE 3.42Å; F863-M973 HydrophobicContact CE1-CB 4.41Å; C864-M973 WeakPolarHBondContact SG-CE 3.23Å; V969-M973 HydrophobicContact CG1-CB 4.26Å; V969-M973 HydrophobicContact CG2-CE 4.26Å; T970-M973 HydrophobicContact CG2-SD 4.29Å; T970-M973 PolarHBondContact N-SD 2.76Å; T970-M973 PolarHBondContact O-N 3.45Å; T970-M973 PolarHBondContact OG1-N 3.17Å; M973-Q975 VanDerWaalsContact C-N 3.35Å; M973-S976 PolarHBondContact O-N 3.06Å; M973-Y977 WeakPolarHBondContact O-CB 3.3Å; M973-Y977 PolarHBondContact O-N 3.03Å
974	K	95.6	Very high	95.5	Very high	56 Å²	56	40.2 Å²	40.2	24%	0.243	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-39.8	174.3	-66	177.1	-158	154.9	0	111.7	I566 S963 V969 T970 D971 Y977 R978	I566-K974 HydrophobicContact CD1-CB 3.67Å; I566-K974 HydrophobicContact CD1-CD 4.1Å; S963-K974 VanDerWaalsContact OG-CE 3.3Å; S963-K974 WeakPolarHBondContact OG-CE 3.35Å; V969-K974 HydrophobicContact CG1-CG 3.76Å; T970-K974 WeakPolarHBondContact O-CG 3.4Å; T970-K974 PolarHBondContact O-N 2.82Å; D971-K974 PolarHBondContact O-N 3.09Å; D971-K974 IonicContact OD1-NZ 3.77Å; D971-K974 PolarHBondContact OD1-NZ 2.87Å; K974-Y977 PolarHBondContact O-N 3.16Å; K974-R978 VanDerWaalsContact O-CB 3.32Å; K974-R978 WeakPolarHBondContact O-CB 3.23Å; K974-R978 PolarHBondContact O-N 3.02Å
975	Q	97.1	Very high	95.6	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-42.3	177.4	-176.7	57.7	39	0	0	111.1	P564 D971 E972 M973 R978 E979	P564-Q975 PolarHBondContact O-NE2 3.13Å; P564-Q975 VanDerWaalsContact O-NE2 3.08Å; D971-Q975 VanDerWaalsContact O-CB 3.24Å; D971-Q975 WeakPolarHBondContact O-CB 3.46Å; D971-Q975 PolarHBondContact O-N 3.33Å; E972-Q975 PolarHBondContact O-N 3.17Å; M973-Q975 VanDerWaalsContact C-N 3.35Å; Q975-R978 WeakPolarHBondContact O-CB 3.43Å; Q975-R978 PolarHBondContact O-N 3.2Å; Q975-E979 PolarHBondContact NE2-OE1 3.48Å; Q975-E979 VanDerWaalsContact NE2-OE1 3.17Å; Q975-E979 WeakPolarHBondContact O-CG 3.34Å; Q975-E979 PolarHBondContact O-N 3.19Å
976	S	96.8	Very high	95.8	Very high	52 Å²	52	45.8 Å²	45.8	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-44	173.7	-174.8	0	0	0	0	111.9	E972 M973 R978 E979 Q980	E972-S976 WeakPolarHBondContact O-CB 3.32Å; E972-S976 PolarHBondContact O-N 2.55Å; M973-S976 PolarHBondContact O-N 3.06Å; S976-R978 VanDerWaalsContact C-N 3.34Å; S976-R978 PolarHBondContact O-N 3.06Å; S976-E979 PolarHBondContact O-N 3.5Å; S976-Q980 VanDerWaalsContact O-CG 3.31Å; S976-Q980 WeakPolarHBondContact O-CG 3.4Å; S976-Q980 PolarHBondContact O-N 3.03Å
977	Y	96.6	Very high	96	Very high	23 Å²	23	47.7 Å²	47.7	9%	0.09	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-41.3	173.3	170	-118.9	0	0	0	112.3	F863 Y868 A869 C872 V951 M973 K974 E979 Q980 L981	F863-Y977 AromaticContact CE2-CD1 3.68Å; F863-Y977 HydrophobicContact CE2-CD1 3.68Å; F863-Y977 HydrophobicContact CE2-CD2 4.18Å; F863-Y977 HydrophobicContact CE2-CE1 4.06Å; F863-Y977 AromaticContact CE2-CG 3.73Å; F863-Y977 HydrophobicContact CE2-CG 3.73Å; F863-Y977 AromaticContact CZ-CD1 3.89Å; F863-Y977 HydrophobicContact CZ-CD1 3.89Å; F863-Y977 AromaticContact CZ-CG 3.77Å; F863-Y977 HydrophobicContact CZ-CG 3.77Å; Y868-Y977 HydrophobicContact CD1-CD2 4.01Å; Y868-Y977 AromaticContact CD1-CE2 3.48Å; Y868-Y977 HydrophobicContact CD1-CE2 3.48Å; Y868-Y977 VanDerWaalsContact CD1-CE2 3.48Å; Y868-Y977 HydrophobicContact CE1-CD2 4.46Å; Y868-Y977 AromaticContact CE1-CE2 3.75Å; Y868-Y977 HydrophobicContact CE1-CE2 3.75Å; Y868-Y977 AromaticContact CE1-CZ 3.95Å; A869-Y977 HydrophobicContact CB-CD2 4.23Å; A869-Y977 HydrophobicContact CB-CE2 3.99Å; C872-Y977 PolarHBondContact SG-OH 3.03Å; V951-Y977 HydrophobicContact CG1-CE1 4.28Å; M973-Y977 WeakPolarHBondContact O-CB 3.3Å; M973-Y977 PolarHBondContact O-N 3.03Å; K974-Y977 PolarHBondContact O-N 3.16Å; Y977-E979 PolarHBondContact O-N 3.11Å; Y977-Q980 WeakPolarHBondContact O-CB 3.31Å; Y977-Q980 PolarHBondContact O-N 2.83Å; Y977-L981 HydrophobicContact CD1-CD1 4.07Å; Y977-L981 HydrophobicContact CD2-CG 4.29Å; Y977-L981 HydrophobicContact CE1-CD1 3.54Å; Y977-L981 HydrophobicContact CE1-CG 4.21Å; Y977-L981 HydrophobicContact CE2-CD1 4.1Å; Y977-L981 HydrophobicContact CE2-CD2 3.96Å; Y977-L981 HydrophobicContact CE2-CG 3.83Å; Y977-L981 WeakPolarHBondContact O-CG 3.24Å; Y977-L981 PolarHBondContact O-N 2.9Å
978	R	97.6	Very high	96.3	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-45.3	174.2	165.2	172.7	-139.9	92.1	-1.9	112	Q563 P564 F948 D952 K974 Q975 S976 Q980 L981 F982	Q563-R978 PolarHBondContact O-NE 2.98Å; Q563-R978 PolarHBondContact O-NH2 3.44Å; P564-R978 WeakPolarHBondContact O-CD 3.41Å; P564-R978 PolarHBondContact O-NE 3.14Å; F948-R978 HydrophobicContact CE1-CB 4.49Å; F948-R978 HydrophobicContact CE1-CG 3.87Å; F948-R978 VanDerWaalsContact CE1-CZ 3.46Å; F948-R978 HydrophobicContact CZ-CG 4.23Å; D952-R978 IonicContact OD1-CZ 2.91Å; D952-R978 IonicContact OD1-NH1 2.71Å; D952-R978 PolarHBondContact OD1-NH1 3.01Å; D952-R978 IonicContact OD1-NH2 3.35Å; D952-R978 PolarHBondContact OD1-NH2 2.88Å; D952-R978 IonicContact OD2-CZ 3.87Å; D952-R978 IonicContact OD2-NH1 3.25Å; D952-R978 PolarHBondContact OD2-NH1 3.25Å; D952-R978 IonicContact OD2-NH2 3.82Å; D952-R978 PolarHBondContact OD2-NH2 2.72Å; K974-R978 VanDerWaalsContact O-CB 3.32Å; K974-R978 WeakPolarHBondContact O-CB 3.23Å; K974-R978 PolarHBondContact O-N 3.02Å; Q975-R978 WeakPolarHBondContact O-CB 3.43Å; Q975-R978 PolarHBondContact O-N 3.2Å; S976-R978 VanDerWaalsContact C-N 3.34Å; S976-R978 PolarHBondContact O-N 3.06Å; R978-Q980 VanDerWaalsContact C-N 3.32Å; R978-Q980 PolarHBondContact O-N 2.86Å; R978-L981 WeakPolarHBondContact O-CB 3.32Å; R978-L981 PolarHBondContact O-N 2.98Å; R978-F982 HydrophobicContact CG-CD2 3.91Å; R978-F982 HydrophobicContact CG-CE2 3.59Å; R978-F982 WeakPolarHBondContact O-CD2 3.16Å; R978-F982 PolarHBondContact O-N 3.22Å
979	E	98.2	Very high	96.6	Very high	107 Å²	107	45.6 Å²	45.6	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-40.1	175.6	-72.5	162.9	-166.7	0	0	111.7	Q975 S976 Y977 F982 A983	Q975-E979 PolarHBondContact NE2-OE1 3.48Å; Q975-E979 VanDerWaalsContact NE2-OE1 3.17Å; Q975-E979 WeakPolarHBondContact O-CG 3.34Å; Q975-E979 PolarHBondContact O-N 3.19Å; S976-E979 PolarHBondContact O-N 3.5Å; Y977-E979 PolarHBondContact O-N 3.11Å; E979-F982 PolarHBondContact O-N 2.92Å; E979-A983 WeakPolarHBondContact O-CB 3.38Å; E979-A983 PolarHBondContact O-N 3.28Å
980	Q	98	Very high	96.9	Very high	50 Å²	50	46 Å²	46	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-42.6	173.8	-68.2	169.6	12.7	0	0	111.7	A869 S976 Y977 R978 F982 A983 V984	A869-Q980 HydrophobicContact CB-CB 3.68Å; S976-Q980 VanDerWaalsContact O-CG 3.31Å; S976-Q980 WeakPolarHBondContact O-CG 3.4Å; S976-Q980 PolarHBondContact O-N 3.03Å; Y977-Q980 WeakPolarHBondContact O-CB 3.31Å; Y977-Q980 PolarHBondContact O-N 2.83Å; R978-Q980 VanDerWaalsContact C-N 3.32Å; R978-Q980 PolarHBondContact O-N 2.86Å; Q980-F982 PolarHBondContact O-N 2.68Å; Q980-A983 PolarHBondContact O-N 2.86Å; Q980-A983 VanDerWaalsContact O-N 3.14Å; Q980-V984 WeakPolarHBondContact O-CG2 3.4Å; Q980-V984 PolarHBondContact O-N 2.94Å; Q980-V984 VanDerWaalsContact O-N 3.11Å
981	L	98.1	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-44.4	174.6	-74.5	172.4	0	0	0	111.8	A869 C872 I873 K944 V947 F948 Y977 R978 A983 V984	A869-L981 HydrophobicContact CB-CD2 3.9Å; A869-L981 HydrophobicContact CB-CG 4.16Å; C872-L981 HydrophobicContact CB-CD2 4.37Å; I873-L981 HydrophobicContact CD1-CD2 3.9Å; I873-L981 HydrophobicContact CG1-CD2 3.86Å; K944-L981 WeakPolarHBondContact CE-O 3.47Å; V947-L981 HydrophobicContact CG1-CD1 3.95Å; V947-L981 HydrophobicContact CG1-CD2 3.91Å; F948-L981 HydrophobicContact CE1-CD1 4.29Å; F948-L981 HydrophobicContact CE2-CB 3.98Å; F948-L981 HydrophobicContact CZ-CB 3.74Å; F948-L981 HydrophobicContact CZ-CD1 4.14Å; Y977-L981 HydrophobicContact CD1-CD1 4.07Å; Y977-L981 HydrophobicContact CD2-CG 4.29Å; Y977-L981 HydrophobicContact CE1-CD1 3.54Å; Y977-L981 HydrophobicContact CE1-CG 4.21Å; Y977-L981 HydrophobicContact CE2-CD1 4.1Å; Y977-L981 HydrophobicContact CE2-CD2 3.96Å; Y977-L981 HydrophobicContact CE2-CG 3.83Å; Y977-L981 WeakPolarHBondContact O-CG 3.24Å; Y977-L981 PolarHBondContact O-N 2.9Å; R978-L981 WeakPolarHBondContact O-CB 3.32Å; R978-L981 PolarHBondContact O-N 2.98Å; L981-A983 VanDerWaalsContact C-N 3.3Å; L981-A983 PolarHBondContact O-N 3.3Å; L981-V984 PolarHBondContact O-N 2.83Å
982	F	98.1	Very high	97.4	Very high	54 Å²	54	48.1 Å²	48.1	24%	0.237	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-39.8	174.6	-77.7	-61.9	0	0	0	112.1	V559 I562 K944 F948 R978 E979 Q980 V984	V559-F982 HydrophobicContact CG1-CD1 3.84Å; V559-F982 HydrophobicContact CG1-CE1 3.87Å; I562-F982 HydrophobicContact CB-CE1 4.04Å; I562-F982 HydrophobicContact CB-CZ 3.98Å; I562-F982 HydrophobicContact CD1-CE1 4.13Å; I562-F982 HydrophobicContact CG2-CE1 4.05Å; I562-F982 HydrophobicContact CG2-CZ 3.59Å; K944-F982 PolarHBondContact NZ-O 2.58Å; F948-F982 HydrophobicContact CE1-CE2 4.11Å; F948-F982 HydrophobicContact CE1-CZ 4.12Å; F948-F982 HydrophobicContact CE2-CD1 4.04Å; F948-F982 AromaticContact CE2-CE1 3.91Å; F948-F982 HydrophobicContact CE2-CE1 3.91Å; F948-F982 HydrophobicContact CE2-CG 4.41Å; F948-F982 HydrophobicContact CE2-CZ 4.18Å; F948-F982 HydrophobicContact CZ-CD1 4.08Å; F948-F982 AromaticContact CZ-CD2 3.89Å; F948-F982 HydrophobicContact CZ-CD2 3.89Å; F948-F982 AromaticContact CZ-CE1 3.9Å; F948-F982 HydrophobicContact CZ-CE1 3.9Å; F948-F982 AromaticContact CZ-CE2 3.71Å; F948-F982 HydrophobicContact CZ-CE2 3.71Å; F948-F982 HydrophobicContact CZ-CG 4.07Å; F948-F982 AromaticContact CZ-CZ 3.71Å; F948-F982 HydrophobicContact CZ-CZ 3.71Å; R978-F982 HydrophobicContact CG-CD2 3.91Å; R978-F982 HydrophobicContact CG-CE2 3.59Å; R978-F982 WeakPolarHBondContact O-CD2 3.16Å; R978-F982 PolarHBondContact O-N 3.22Å; E979-F982 PolarHBondContact O-N 2.92Å; Q980-F982 PolarHBondContact O-N 2.68Å; F982-V984 VanDerWaalsContact C-N 3.29Å; F982-V984 PolarHBondContact O-N 3.01Å
983	A	98.1	Very high	97.6	Very high	70 Å²	70	42.9 Å²	42.9	58%	0.579	22%	0.217	S	C	*	.	H	α-helix	trans	-74	-12.7	-178.2	0	0	0	0	0	114.6	E979 Q980 L981 H985	E979-A983 WeakPolarHBondContact O-CB 3.38Å; E979-A983 PolarHBondContact O-N 3.28Å; Q980-A983 PolarHBondContact O-N 2.86Å; Q980-A983 VanDerWaalsContact O-N 3.14Å; L981-A983 VanDerWaalsContact C-N 3.3Å; L981-A983 PolarHBondContact O-N 3.3Å; A983-H985 PolarHBondContact O-N 2.8Å
984	V	98.4	Very high	97.7	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	23%	0.228	C	C	.	.			trans	-56.1	129.3	177.7	176.5	0	0	0	0	110.6	A869 I873 K944 Q980 L981 F982 L989	A869-V984 HydrophobicContact CB-CG2 4.09Å; I873-V984 HydrophobicContact CB-CG1 4.09Å; I873-V984 HydrophobicContact CG1-CB 4.2Å; I873-V984 HydrophobicContact CG1-CG1 4.15Å; I873-V984 HydrophobicContact CG1-CG2 3.97Å; I873-V984 HydrophobicContact CG2-CG1 4.05Å; K944-V984 VanDerWaalsContact CE-O 3.26Å; K944-V984 WeakPolarHBondContact CE-O 3.49Å; K944-V984 PolarHBondContact NZ-O 2.92Å; Q980-V984 WeakPolarHBondContact O-CG2 3.4Å; Q980-V984 PolarHBondContact O-N 2.94Å; Q980-V984 VanDerWaalsContact O-N 3.11Å; L981-V984 PolarHBondContact O-N 2.83Å; F982-V984 VanDerWaalsContact C-N 3.29Å; F982-V984 PolarHBondContact O-N 3.01Å; V984-L989 HydrophobicContact CG1-CD1 4.24Å; V984-L989 HydrophobicContact CG1-CD2 3.61Å; V984-L989 HydrophobicContact CG1-CG 3.83Å
985	H	96.7	Very high	97.8	Very high	105 Å²	105	47.7 Å²	47.7	49%	0.486	24%	0.235	S	C	.	.			trans	-133	164.1	-178.6	61.5	23.4	0	0	0	111.1	A983 K987 G988 L989	A983-H985 PolarHBondContact O-N 2.8Å; H985-K987 PolarHBondContact O-N 3.08Å; H985-G988 PolarHBondContact CE1-N 2.97Å; H985-G988 PolarHBondContact ND1-N 3.44Å; H985-G988 PolarHBondContact O-N 3.43Å; H985-G988 VanDerWaalsContact O-N 3.1Å; H985-L989 PolarHBondContact O-N 3.1Å
986	H	98.3	Very high	97.9	Very high	70 Å²	70	48.1 Å²	48.1	32%	0.324	24%	0.237	S	C	.	.	H	α-helix	trans	-47.1	-55.3	-175.5	-179.3	-77	0	0	0	114.4	G933 F935 I940 G988 L989 V990	G933-H986 PolarHBondContact O-NE2 3.15Å; F935-H986 AromaticContact CD2-CD2 3.64Å; F935-H986 AromaticContact CD2-NE2 3.96Å; F935-H986 AromaticContact CE2-CD2 3.3Å; F935-H986 WeakPolarHBondContact CE2-CD2 3.18Å; F935-H986 AromaticContact CE2-CG 3.98Å; F935-H986 AromaticContact CE2-NE2 3.61Å; I940-H986 HydrophobicContact CD1-CB 3.76Å; H986-G988 VanDerWaalsContact C-N 3.28Å; H986-G988 PolarHBondContact O-N 3.06Å; H986-L989 WeakPolarHBondContact O-CB 3.24Å; H986-L989 PolarHBondContact O-N 3.27Å; H986-V990 PolarHBondContact O-N 3.16Å
987	K	97.6	Very high	97.9	Very high	135 Å²	135	46.1 Å²	46.1	59%	0.587	22%	0.221	S	C	*	.	H	α-helix	trans	-56.7	-41.3	-178.2	179.7	175.2	168.1	178	0	112.8	H985 L989 V990 E991	H985-K987 PolarHBondContact O-N 3.08Å; K987-L989 VanDerWaalsContact C-N 3.31Å; K987-L989 PolarHBondContact O-N 3.29Å; K987-V990 PolarHBondContact O-N 3.06Å; K987-E991 WeakPolarHBondContact CE-OE1 3.2Å; K987-E991 HydrophobicContact CG-CG 4.36Å; K987-E991 IonicContact NZ-OE1 3.74Å; K987-E991 WeakPolarHBondContact O-CG 3.41Å; K987-E991 PolarHBondContact O-N 3.29Å
988	G	97.3	Very high	97.8	Very high	6 Å²	6	45.9 Å²	45.9	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-34.8	179.6	0	0	0	0	0	112.6	H985 H986 V992	H985-G988 PolarHBondContact CE1-N 2.97Å; H985-G988 PolarHBondContact ND1-N 3.44Å; H985-G988 PolarHBondContact O-N 3.43Å; H985-G988 VanDerWaalsContact O-N 3.1Å; H986-G988 VanDerWaalsContact C-N 3.28Å; H986-G988 PolarHBondContact O-N 3.06Å; G988-V992 WeakPolarHBondContact O-CG1 3.3Å; G988-V992 WeakPolarHBondContact O-CG2 3.2Å; G988-V992 PolarHBondContact O-N 3.24Å
989	L	98.5	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-42.7	175.3	-65.1	172.7	0	0	0	111.8	S870 I873 L874 M877 F935 I940 V984 H985 H986 K987 V992 A993	S870-L989 VanDerWaalsContact O-CD2 3.23Å; S870-L989 WeakPolarHBondContact O-CD2 3.46Å; I873-L989 HydrophobicContact CB-CD2 4.12Å; I873-L989 HydrophobicContact CG2-CD1 4.29Å; I873-L989 HydrophobicContact CG2-CD2 3.96Å; L874-L989 HydrophobicContact CB-CD2 3.92Å; M877-L989 HydrophobicContact CE-CD1 3.92Å; M877-L989 HydrophobicContact SD-CD1 4.17Å; F935-L989 HydrophobicContact CE2-CB 4.32Å; F935-L989 HydrophobicContact CE2-CD1 3.99Å; F935-L989 HydrophobicContact CZ-CB 4Å; F935-L989 HydrophobicContact CZ-CD1 4.42Å; I940-L989 HydrophobicContact CD1-CD1 3.9Å; I940-L989 HydrophobicContact CG1-CD1 3.72Å; I940-L989 HydrophobicContact CG2-CD1 4.25Å; V984-L989 HydrophobicContact CG1-CD1 4.24Å; V984-L989 HydrophobicContact CG1-CD2 3.61Å; V984-L989 HydrophobicContact CG1-CG 3.83Å; H985-L989 PolarHBondContact O-N 3.1Å; H986-L989 WeakPolarHBondContact O-CB 3.24Å; H986-L989 PolarHBondContact O-N 3.27Å; K987-L989 VanDerWaalsContact C-N 3.31Å; K987-L989 PolarHBondContact O-N 3.29Å; L989-V992 WeakPolarHBondContact O-CG2 3.32Å; L989-A993 WeakPolarHBondContact O-CB 3.39Å; L989-A993 PolarHBondContact O-N 2.82Å; L989-A993 VanDerWaalsContact O-N 3.09Å
990	V	98.5	Very high	97	Very high	22 Å²	22	50.4 Å²	50.4	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-46.7	175.5	177.7	0	0	0	0	110.6	K931 F935 H986 K987 V992 A993 E994	K931-V990 WeakPolarHBondContact O-CG1 3.2Å; F935-V990 HydrophobicContact CE1-CG2 4.5Å; F935-V990 HydrophobicContact CZ-CG2 3.97Å; H986-V990 PolarHBondContact O-N 3.16Å; K987-V990 PolarHBondContact O-N 3.06Å; V990-V992 PolarHBondContact O-N 2.91Å; V990-A993 WeakPolarHBondContact O-CB 3.4Å; V990-A993 PolarHBondContact O-N 2.88Å; V990-E994 HydrophobicContact CG1-CG 4.47Å; V990-E994 WeakPolarHBondContact O-CG 3.43Å; V990-E994 PolarHBondContact O-N 2.83Å
991	E	98.1	Very high	96.8	Very high	72 Å²	72	54 Å²	54	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-42.5	-179.4	-75.3	177.9	170.7	0	0	112.8	K987 E994 R995	K987-E991 WeakPolarHBondContact CE-OE1 3.2Å; K987-E991 HydrophobicContact CG-CG 4.36Å; K987-E991 IonicContact NZ-OE1 3.74Å; K987-E991 WeakPolarHBondContact O-CG 3.41Å; K987-E991 PolarHBondContact O-N 3.29Å; E991-E994 PolarHBondContact O-N 2.84Å; E991-R995 WeakPolarHBondContact O-CB 3.31Å; E991-R995 PolarHBondContact O-N 2.82Å
992	V	98.3	Very high	96.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-72.1	-32.6	177.4	-59.7	0	0	0	0	112.2	D867 L871 L874 G988 L989 V990 Y996	D867-V992 HydrophobicContact CB-CG1 3.76Å; L871-V992 HydrophobicContact CD2-CB 4.04Å; L871-V992 HydrophobicContact CD2-CG2 3.98Å; L871-V992 HydrophobicContact CG-CB 4.2Å; L871-V992 HydrophobicContact CG-CG2 4.22Å; L874-V992 HydrophobicContact CD2-CG2 3.97Å; G988-V992 WeakPolarHBondContact O-CG1 3.3Å; G988-V992 WeakPolarHBondContact O-CG2 3.2Å; G988-V992 PolarHBondContact O-N 3.24Å; L989-V992 WeakPolarHBondContact O-CG2 3.32Å; V990-V992 PolarHBondContact O-N 2.91Å; V992-Y996 HydrophobicContact CB-CD2 3.91Å; V992-Y996 HydrophobicContact CB-CE2 4.19Å; V992-Y996 HydrophobicContact CG1-CD2 4.38Å; V992-Y996 HydrophobicContact CG1-CE2 4.15Å; V992-Y996 WeakPolarHBondContact O-CB 3.36Å; V992-Y996 VanDerWaalsContact O-CD2 3.31Å; V992-Y996 WeakPolarHBondContact O-CD2 3.48Å; V992-Y996 PolarHBondContact O-N 3.43Å
993	A	98.3	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-62.8	-47	172.5	0	0	0	0	0	111	L874 A930 K931 L989 V990 L997 S998	L874-A993 HydrophobicContact CD2-CB 3.78Å; A930-A993 HydrophobicContact CB-CB 3.84Å; K931-A993 HydrophobicContact CG-CB 4.17Å; L989-A993 WeakPolarHBondContact O-CB 3.39Å; L989-A993 PolarHBondContact O-N 2.82Å; L989-A993 VanDerWaalsContact O-N 3.09Å; V990-A993 WeakPolarHBondContact O-CB 3.4Å; V990-A993 PolarHBondContact O-N 2.88Å; A993-L997 WeakPolarHBondContact O-CA 3.41Å; A993-L997 WeakPolarHBondContact O-CB 3.44Å; A993-L997 PolarHBondContact O-N 3.09Å; A993-S998 PolarHBondContact O-N 3.49Å
994	E	97.7	Very high	96.6	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	28%	0.28	S	S	.	.	I	π-helix	trans	-62.8	-49.6	177.2	-75	-176.5	166.8	0	0	111.9	K931 V990 E991 S998	K931-E994 HydrophobicContact CB-CG 4.33Å; K931-E994 HydrophobicContact CG-CG 3.85Å; V990-E994 HydrophobicContact CG1-CG 4.47Å; V990-E994 WeakPolarHBondContact O-CG 3.43Å; V990-E994 PolarHBondContact O-N 2.83Å; E991-E994 PolarHBondContact O-N 2.84Å; E994-S998 WeakPolarHBondContact CA-OG 3.36Å; E994-S998 VanDerWaalsContact O-CB 3.29Å; E994-S998 WeakPolarHBondContact O-CB 3.47Å; E994-S998 PolarHBondContact O-OG 3.46Å
995	R	98.1	Very high	96.5	Very high	107 Å²	107	52.1 Å²	52.1	40%	0.404	28%	0.278	S	S	.	.	I	π-helix	trans	-66.7	-39.2	-174.5	-176	-179	-60.4	158.9	7.4	113.3	D867 E991 Q1001	D867-R995 IonicContact OD1-NH1 3.95Å; D867-R995 IonicContact OD2-CZ 3.83Å; D867-R995 IonicContact OD2-NH1 2.66Å; D867-R995 PolarHBondContact OD2-NH1 3.31Å; E991-R995 WeakPolarHBondContact O-CB 3.31Å; E991-R995 PolarHBondContact O-N 2.82Å; R995-Q1001 WeakPolarHBondContact O-CB 3.31Å
996	Y	98.1	Very high	96.6	Very high	27 Å²	27	47.5 Å²	47.5	11%	0.106	26%	0.257	C	S	.	.	I	π-helix	trans	-110.9	-40.1	-170.2	-61.4	-67	0	0	0	113.9	T860 V861 D867 L871 V992 S1002	T860-Y996 HydrophobicContact CG2-CG 4.35Å; V861-Y996 HydrophobicContact CG1-CE1 3.63Å; V861-Y996 HydrophobicContact CG1-CE2 4.48Å; V861-Y996 WeakPolarHBondContact CG1-OH 3.48Å; D867-Y996 HydrophobicContact CB-CE2 3.9Å; D867-Y996 WeakPolarHBondContact OD2-CE2 3.47Å; D867-Y996 PolarHBondContact OD2-OH 3.22Å; L871-Y996 HydrophobicContact CD1-CD2 4.06Å; L871-Y996 HydrophobicContact CD1-CE2 4.37Å; L871-Y996 HydrophobicContact CD2-CD2 4.2Å; L871-Y996 HydrophobicContact CG-CD2 4.46Å; V992-Y996 HydrophobicContact CB-CD2 3.91Å; V992-Y996 HydrophobicContact CB-CE2 4.19Å; V992-Y996 HydrophobicContact CG1-CD2 4.38Å; V992-Y996 HydrophobicContact CG1-CE2 4.15Å; V992-Y996 WeakPolarHBondContact O-CB 3.36Å; V992-Y996 VanDerWaalsContact O-CD2 3.31Å; V992-Y996 WeakPolarHBondContact O-CD2 3.48Å; V992-Y996 PolarHBondContact O-N 3.43Å; Y996-S1002 VanDerWaalsContact O-CB 3.3Å; Y996-S1002 WeakPolarHBondContact O-CB 3.23Å; Y996-S1002 PolarHBondContact O-OG 2.96Å; Y996-S1002 VanDerWaalsContact O-OG 3.09Å
997	L	97.8	Very high	96.6	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.047	24%	0.242	C	C	.	.	I	π-helix	trans	-95.9	-17	-167.9	-50.9	-176.8	0	0	0	113.2	I858 T860 L874 M878 F906 V927 A993	I858-L997 HydrophobicContact CD1-CD2 4.01Å; I858-L997 HydrophobicContact CG2-CD2 4.45Å; T860-L997 HydrophobicContact CG2-CD2 4.33Å; L874-L997 HydrophobicContact CD2-CD1 3.75Å; M878-L997 HydrophobicContact SD-CD1 4.19Å; F906-L997 HydrophobicContact CB-CD2 4.18Å; F906-L997 HydrophobicContact CD1-CD2 3.93Å; F906-L997 HydrophobicContact CD2-CD2 4.16Å; F906-L997 HydrophobicContact CE1-CD1 4.22Å; F906-L997 HydrophobicContact CE1-CD2 4.35Å; F906-L997 HydrophobicContact CE2-CD1 4.17Å; F906-L997 HydrophobicContact CG-CD2 3.83Å; F906-L997 HydrophobicContact CZ-CD1 3.98Å; V927-L997 HydrophobicContact CG1-CB 3.88Å; V927-L997 HydrophobicContact CG2-CB 3.94Å; A993-L997 WeakPolarHBondContact O-CA 3.41Å; A993-L997 WeakPolarHBondContact O-CB 3.44Å; A993-L997 PolarHBondContact O-N 3.09Å
998	S	93.8	Very high	96.6	Very high	19 Å²	19	37.7 Å²	37.7	13%	0.133	21%	0.214	C	C	.	.	S	Bend	trans	-61.9	144.3	177.3	-60.1	0	0	0	0	112.1	A993 E994 G1000 Q1001	A993-S998 PolarHBondContact O-N 3.49Å; E994-S998 WeakPolarHBondContact CA-OG 3.36Å; E994-S998 VanDerWaalsContact O-CB 3.29Å; E994-S998 WeakPolarHBondContact O-CB 3.47Å; E994-S998 PolarHBondContact O-OG 3.46Å; S998-G1000 PolarHBondContact O-N 2.91Å; S998-Q1001 WeakPolarHBondContact O-CB 3.45Å; S998-Q1001 PolarHBondContact O-N 3.17Å
999	V	90.1	Very high	96.6	Very high	133 Å²	133	37.4 Å²	37.4	81%	0.806	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	127.1	177.1	-179.3	0	0	0	0	110.6	Q1001	V999-Q1001 VanDerWaalsContact C-N 3.31Å; V999-Q1001 PolarHBondContact O-N 3.49Å
1000	G	88.8	Confident	96.4	Very high	74 Å²	74	37.4 Å²	37.4	76%	0.763	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	-3.1	177.5	0	0	0	0	0	115.8	S998	S998-G1000 PolarHBondContact O-N 2.91Å
1001	Q	93.4	Very high	96	Very high	126 Å²	126	38.6 Å²	38.6	59%	0.589	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-39.1	177.5	-63.8	-57.7	-49.3	0	0	113.1	R995 S998 V999	R995-Q1001 WeakPolarHBondContact O-CB 3.31Å; S998-Q1001 WeakPolarHBondContact O-CB 3.45Å; S998-Q1001 PolarHBondContact O-N 3.17Å; V999-Q1001 VanDerWaalsContact C-N 3.31Å; V999-Q1001 PolarHBondContact O-N 3.49Å
1002	S	96	Very high	95.6	Very high	32 Å²	32	39.9 Å²	39.9	22%	0.224	23%	0.225	C	C	.	.	S	Bend	trans	-130.1	152.6	177.4	-61.7	0	0	0	0	110.9	R859 Y996 C1004	R859-S1002 VanDerWaalsContact O-CB 3.27Å; R859-S1002 WeakPolarHBondContact O-CB 3.37Å; R859-S1002 PolarHBondContact O-OG 3.23Å; Y996-S1002 VanDerWaalsContact O-CB 3.3Å; Y996-S1002 WeakPolarHBondContact O-CB 3.23Å; Y996-S1002 PolarHBondContact O-OG 2.96Å; Y996-S1002 VanDerWaalsContact O-OG 3.09Å; S1002-C1004 PolarHBondContact O-N 3.11Å
1003	T	97.3	Very high	95.3	Very high	40 Å²	40	41.6 Å²	41.6	25%	0.245	23%	0.234	C	C	.	.			trans	-66.8	132.2	174.9	-49.8	0	0	0	0	110.2	L726 P838 C839 Q840 R859	L726-T1003 HydrophobicContact CD2-CG2 3.9Å; P838-T1003 HydrophobicContact CB-CG2 4.08Å; C839-T1003 VanDerWaalsContact C-CG2 3.45Å; Q840-T1003 HydrophobicContact CB-CG2 4.37Å; R859-T1003 PolarHBondContact N-O 3.09Å
1004	C	96.8	Very high	94.8	Very high	18 Å²	18	46.2 Å²	46.2	12%	0.122	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155.7	175.7	72.9	0	0	0	0	112.4	Q840 S857 I858 S1002	Q840-C1004 VanDerWaalsContact CA-O 3.23Å; Q840-C1004 WeakPolarHBondContact CA-O 3.49Å; Q840-C1004 WeakPolarHBondContact CB-O 3.27Å; Q840-C1004 VanDerWaalsContact CG-O 3.3Å; Q840-C1004 WeakPolarHBondContact CG-O 3.49Å; S857-C1004 CarbonylContact O-C 3.49Å; S857-C1004 WeakPolarHBondContact O-CA 3.43Å; S857-C1004 WeakPolarHBondContact O-CB 3.26Å; I858-C1004 HydrophobicContact CG1-CB 4.02Å; S1002-C1004 PolarHBondContact O-N 3.11Å
1005	G	97.7	Very high	94.5	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.3	169.8	0	0	0	0	0	110.1	A722 M841 E856 S857	A722-G1005 WeakPolarHBondContact O-CA 3.5Å; M841-G1005 CarbonylContact O-C 3.59Å; M841-G1005 WeakPolarHBondContact O-CA 3.4Å; E856-G1005 CarbonylContact C-O 3.38Å; E856-G1005 WeakPolarHBondContact CA-O 3.21Å; S857-G1005 PolarHBondContact N-O 2.96Å; S857-G1005 PolarHBondContact O-N 3.09Å
1006	V	98.1	Very high	94.2	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.5	-176.5	-173.4	0	0	0	0	109.4	M841 K842 T843 S855 E856 L920 W1022	M841-V1006 PolarHBondContact O-N 2.76Å; K842-V1006 CarbonylContact C-O 3.56Å; K842-V1006 WeakPolarHBondContact CA-O 3.4Å; K842-V1006 HydrophobicContact CB-CB 4.33Å; K842-V1006 HydrophobicContact CG-CB 4.09Å; K842-V1006 HydrophobicContact CG-CG2 4.28Å; T843-V1006 PolarHBondContact N-O 2.91Å; S855-V1006 WeakPolarHBondContact O-CA 3.38Å; S855-V1006 WeakPolarHBondContact O-CG1 3.13Å; E856-V1006 HydrophobicContact CB-CG2 4.35Å; E856-V1006 HydrophobicContact CG-CG2 4.11Å; L920-V1006 HydrophobicContact CD1-CG1 4.02Å; L920-V1006 HydrophobicContact CD2-CG1 3.76Å; V1006-W1022 HydrophobicContact CB-CH2 4.32Å; V1006-W1022 HydrophobicContact CG1-CH2 3.47Å; V1006-W1022 VanDerWaalsContact CG1-CH2 3.47Å; V1006-W1022 HydrophobicContact CG1-CZ2 4.2Å; V1006-W1022 HydrophobicContact CG1-CZ3 4.13Å
1007	A	98.3	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.4	171.8	0	0	0	0	0	111.7	A718 R721 A722 T843 S855	A718-A1007 HydrophobicContact CB-CB 4.36Å; A718-A1007 VanDerWaalsContact O-CB 3.29Å; A718-A1007 WeakPolarHBondContact O-CB 3.42Å; R721-A1007 HydrophobicContact CB-CB 3.8Å; R721-A1007 HydrophobicContact CG-CB 3.79Å; A722-A1007 HydrophobicContact CB-CB 4.16Å; T843-A1007 CarbonylContact O-C 3.56Å; T843-A1007 VanDerWaalsContact O-CA 3.23Å; T843-A1007 WeakPolarHBondContact O-CA 3.33Å; S855-A1007 PolarHBondContact N-O 3Å; S855-A1007 PolarHBondContact O-N 3.4Å
1008	I	98.1	Very high	93.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.1	174.4	-62.1	179	0	0	0	108.9	T843 F844 F845 F853 V854 L920 I1016 W1022	T843-I1008 PolarHBondContact O-N 3.35Å; F844-I1008 HydrophobicContact CD2-CB 3.82Å; F844-I1008 HydrophobicContact CD2-CG2 3.74Å; F844-I1008 HydrophobicContact CE2-CB 4.32Å; F844-I1008 HydrophobicContact CE2-CG2 3.71Å; F845-I1008 PolarHBondContact N-O 3Å; F853-I1008 VanDerWaalsContact O-CA 3.31Å; F853-I1008 WeakPolarHBondContact O-CA 3.28Å; V854-I1008 HydrophobicContact CB-CG1 4.38Å; V854-I1008 HydrophobicContact CG1-CD1 4.24Å; V854-I1008 HydrophobicContact CG1-CG1 3.99Å; V854-I1008 HydrophobicContact CG2-CD1 4.39Å; V854-I1008 HydrophobicContact CG2-CG1 4.2Å; V854-I1008 HydrophobicContact CG2-CG2 4.45Å; L920-I1008 HydrophobicContact CD1-CD1 4.2Å; I1008-I1016 HydrophobicContact CD1-CD1 3.85Å; I1008-W1022 HydrophobicContact CB-CZ3 4.44Å; I1008-W1022 HydrophobicContact CD1-CH2 3.46Å; I1008-W1022 VanDerWaalsContact CD1-CH2 3.46Å; I1008-W1022 HydrophobicContact CD1-CZ2 4.22Å; I1008-W1022 HydrophobicContact CD1-CZ3 4.05Å; I1008-W1022 HydrophobicContact CG1-CH2 3.83Å; I1008-W1022 HydrophobicContact CG1-CZ3 4.07Å
1009	L	96.4	Very high	93.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.6	165.1	-71.7	72.2	0	0	0	107.1	I710 A718 M739 F845 M847 N852 F853	I710-L1009 HydrophobicContact CG2-CD2 3.84Å; A718-L1009 HydrophobicContact CB-CD1 3.88Å; M739-L1009 HydrophobicContact SD-CD2 4.25Å; F845-L1009 HydrophobicContact CB-CG 4.04Å; F845-L1009 HydrophobicContact CD2-CD1 3.68Å; F845-L1009 HydrophobicContact CD2-CG 3.91Å; F845-L1009 HydrophobicContact CE2-CD1 4.27Å; F845-L1009 HydrophobicContact CG-CG 4.34Å; M847-L1009 HydrophobicContact CG-CB 4.19Å; N852-L1009 CarbonylContact C-O 3.51Å; N852-L1009 WeakPolarHBondContact CA-O 3.34Å; F853-L1009 HydrophobicContact CB-CB 4.34Å; F853-L1009 HydrophobicContact CD2-CB 4.14Å; F853-L1009 PolarHBondContact N-O 2.74Å; F853-L1009 PolarHBondContact O-N 3.25Å
1010	G	94.1	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-177.9	-178.1	0	0	0	0	0	113.9	F844 F845 M847	F844-G1010 WeakPolarHBondContact CZ-O 3.35Å; F845-G1010 PolarHBondContact O-N 2.71Å; M847-G1010 PolarHBondContact N-O 3.1Å; M847-G1010 CarbonylContact O-C 3.49Å
1011	P	91.3	Very high	94	Very high	47 Å²	47	52.7 Å²	52.7	31%	0.305	29%	0.288	S	S	.	.	S	Bend	trans	-67.3	160.9	179	28.4	-34.2	0	0	0	112.2	F844 M847 F849 V851 N1013	F844-P1011 WeakPolarHBondContact CZ-O 3.3Å; M847-P1011 WeakPolarHBondContact O-CA 3.43Å; F849-P1011 WeakPolarHBondContact O-CB 3.41Å; F849-P1011 VanDerWaalsContact O-CD 3.28Å; F849-P1011 WeakPolarHBondContact O-CD 3.29Å; F849-P1011 WeakPolarHBondContact O-CG 3.37Å; V851-P1011 WeakPolarHBondContact O-CD 3.36Å; P1011-N1013 PolarHBondContact O-N 3.09Å
1012	E	89.8	Confident	94.1	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.463	26%	0.264	S	S	.	.			trans	-49.2	136.7	179.9	-172.5	170.2	-171.9	0	0	112.5	K1017	E1012-K1017 WeakPolarHBondContact OE1-CD 3.11Å; E1012-K1017 IonicContact OE1-NZ 3.91Å; E1012-K1017 PolarHBondContact OE1-NZ 3.47Å
1013	N	90.9	Very high	94.1	Very high	37 Å²	37	49.6 Å²	49.6	20%	0.198	27%	0.271	C	S	.	.			trans	-134.7	114	-177.4	-171.4	-68.1	0	0	0	111.4	S916 P1011 A1015 I1016 K1017	S916-N1013 PolarHBondContact OG-ND2 3.28Å; P1011-N1013 PolarHBondContact O-N 3.09Å; N1013-A1015 VanDerWaalsContact C-N 3.31Å; N1013-A1015 PolarHBondContact O-N 3.06Å; N1013-A1015 WeakPolarHBondContact OD1-CB 3.48Å; N1013-A1015 PolarHBondContact OD1-N 2.66Å; N1013-A1015 VanDerWaalsContact OD1-N 3.1Å; N1013-I1016 HydrophobicContact CB-CB 4.16Å; N1013-I1016 HydrophobicContact CB-CD1 3.98Å; N1013-I1016 HydrophobicContact CB-CG1 4.15Å; N1013-I1016 PolarHBondContact O-N 3.25Å; N1013-I1016 PolarHBondContact OD1-N 3.13Å; N1013-I1016 VanDerWaalsContact OD1-N 3.15Å; N1013-K1017 WeakPolarHBondContact O-CB 3.44Å; N1013-K1017 PolarHBondContact O-N 3.43Å
1014	D	89.1	Confident	93.9	Very high	98 Å²	98	51.9 Å²	51.9	52%	0.524	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-34.5	-176.4	-87	-18.7	0	0	0	114.1	K1018	D1014-K1018 WeakPolarHBondContact O-CB 3.24Å; D1014-K1018 WeakPolarHBondContact O-CD 3.34Å; D1014-K1018 VanDerWaalsContact O-CG 3.27Å; D1014-K1018 WeakPolarHBondContact O-CG 2.8Å; D1014-K1018 PolarHBondContact O-N 2.88Å; D1014-K1018 VanDerWaalsContact O-N 3.16Å
1015	A	90	Very high	93.3	Very high	63 Å²	63	57.7 Å²	57.7	52%	0.521	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-41.6	179.3	0	0	0	0	0	110.8	N1013 D1019	N1013-A1015 VanDerWaalsContact C-N 3.31Å; N1013-A1015 PolarHBondContact O-N 3.06Å; N1013-A1015 WeakPolarHBondContact OD1-CB 3.48Å; N1013-A1015 PolarHBondContact OD1-N 2.66Å; N1013-A1015 VanDerWaalsContact OD1-N 3.1Å; A1015-D1019 PolarHBondContact O-N 3.21Å
1016	I	92	Very high	93.1	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-43.8	175.5	-64.7	177.6	0	0	0	110.5	F844 V917 I1008 N1013 K1018 D1019 W1022 L1024	F844-I1016 HydrophobicContact CB-CG2 3.75Å; F844-I1016 HydrophobicContact CD1-CG2 4.32Å; F844-I1016 HydrophobicContact CD2-CD1 3.63Å; F844-I1016 HydrophobicContact CD2-CG2 4.09Å; F844-I1016 HydrophobicContact CE2-CD1 3.97Å; F844-I1016 HydrophobicContact CG-CD1 4.4Å; F844-I1016 HydrophobicContact CG-CG2 3.78Å; V917-I1016 HydrophobicContact CG2-CD1 4.33Å; V917-I1016 HydrophobicContact CG2-CG1 3.97Å; I1008-I1016 HydrophobicContact CD1-CD1 3.85Å; N1013-I1016 HydrophobicContact CB-CB 4.16Å; N1013-I1016 HydrophobicContact CB-CD1 3.98Å; N1013-I1016 HydrophobicContact CB-CG1 4.15Å; N1013-I1016 PolarHBondContact O-N 3.25Å; N1013-I1016 PolarHBondContact OD1-N 3.13Å; N1013-I1016 VanDerWaalsContact OD1-N 3.15Å; I1016-K1018 PolarHBondContact O-N 2.94Å; I1016-D1019 PolarHBondContact O-N 3.29Å; I1016-D1019 VanDerWaalsContact O-N 3.09Å; I1016-W1022 HydrophobicContact CG2-CB 3.96Å; I1016-W1022 HydrophobicContact CG2-CD2 3.76Å; I1016-W1022 HydrophobicContact CG2-CE3 4.1Å; I1016-W1022 HydrophobicContact CG2-CG 3.71Å; I1016-L1024 HydrophobicContact CG2-CD2 3.97Å
1017	K	91.1	Very high	92.8	Very high	116 Å²	116	63.3 Å²	63.3	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-31.2	-179.8	-169.8	175.8	-175.5	174.7	0	113.2	E1012 N1013 L1024	E1012-K1017 WeakPolarHBondContact OE1-CD 3.11Å; E1012-K1017 IonicContact OE1-NZ 3.91Å; E1012-K1017 PolarHBondContact OE1-NZ 3.47Å; N1013-K1017 WeakPolarHBondContact O-CB 3.44Å; N1013-K1017 PolarHBondContact O-N 3.43Å; K1017-L1024 HydrophobicContact CG-CD1 4.1Å
1018	K	92.7	Very high	92.5	Very high	163 Å²	163	66.8 Å²	66.8	71%	0.709	35%	0.351	S	S	*	.	H	α-helix	trans	-86.1	-13.5	178.7	-69.4	169.5	-172.6	167	0	113.8	D1014 I1016 P1020	D1014-K1018 WeakPolarHBondContact O-CB 3.24Å; D1014-K1018 WeakPolarHBondContact O-CD 3.34Å; D1014-K1018 VanDerWaalsContact O-CG 3.27Å; D1014-K1018 WeakPolarHBondContact O-CG 2.8Å; D1014-K1018 PolarHBondContact O-N 2.88Å; D1014-K1018 VanDerWaalsContact O-N 3.16Å; I1016-K1018 PolarHBondContact O-N 2.94Å; K1018-P1020 WeakPolarHBondContact O-CD 3.29Å
1019	D	93.3	Very high	92.2	Very high	52 Å²	52	70.7 Å²	70.7	28%	0.278	37%	0.372	S	S	.	.			trans	-91.6	109	-179.3	178.8	-6.4	0	0	0	110.4	K842 A1015 I1016 T1021 W1022	K842-D1019 IonicContact NZ-OD2 3.28Å; A1015-D1019 PolarHBondContact O-N 3.21Å; I1016-D1019 PolarHBondContact O-N 3.29Å; I1016-D1019 VanDerWaalsContact O-N 3.09Å; D1019-T1021 PolarHBondContact O-N 3.39Å; D1019-T1021 VanDerWaalsContact OD1-CB 3.29Å; D1019-T1021 WeakPolarHBondContact OD1-CB 3.45Å; D1019-T1021 WeakPolarHBondContact OD1-CG2 3.38Å; D1019-T1021 PolarHBondContact OD1-N 2.66Å; D1019-T1021 PolarHBondContact OD1-OG1 2.89Å; D1019-T1021 PolarHBondContact OD2-OG1 3.48Å; D1019-T1021 VanDerWaalsContact OD2-OG1 3.06Å; D1019-W1022 PolarHBondContact O-N 3.34Å; D1019-W1022 VanDerWaalsContact O-N 3.1Å; D1019-W1022 VanDerWaalsContact OD2-CD1 3.31Å; D1019-W1022 PolarHBondContact OD2-NE1 3.04Å
1020	P	93.3	Very high	91.9	Very high	129 Å²	129	75.1 Å²	75.1	84%	0.838	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.8	-176.1	30.8	-37.1	0	0	0	113.4	K1018 W1022	K1018-P1020 WeakPolarHBondContact O-CD 3.29Å; P1020-W1022 PolarHBondContact O-N 2.87Å
1021	T	93.6	Very high	91.7	Very high	75 Å²	75	80.1 Å²	80.1	46%	0.46	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.7	174.8	70.3	0	0	0	0	112.9	K842 D1019	K842-T1021 PolarHBondContact NZ-OG1 2.94Å; D1019-T1021 PolarHBondContact O-N 3.39Å; D1019-T1021 VanDerWaalsContact OD1-CB 3.29Å; D1019-T1021 WeakPolarHBondContact OD1-CB 3.45Å; D1019-T1021 WeakPolarHBondContact OD1-CG2 3.38Å; D1019-T1021 PolarHBondContact OD1-N 2.66Å; D1019-T1021 PolarHBondContact OD1-OG1 2.89Å; D1019-T1021 PolarHBondContact OD2-OG1 3.48Å; D1019-T1021 VanDerWaalsContact OD2-OG1 3.06Å
1022	W	96.3	Very high	91.8	Very high	23 Å²	23	82.5 Å²	82.5	9%	0.087	43%	0.43	C	S	.	.	S	Bend	trans	-97.5	135.4	175.4	-71	85.7	0	0	0	112.5	K842 T843 F844 L920 V1006 I1008 I1016 D1019 P1020	K842-W1022 HydrophobicContact CB-CD2 3.64Å; K842-W1022 HydrophobicContact CB-CE3 3.62Å; K842-W1022 HydrophobicContact CB-CG 4.12Å; K842-W1022 HydrophobicContact CB-CH2 4.38Å; K842-W1022 HydrophobicContact CB-CZ2 4.41Å; K842-W1022 HydrophobicContact CB-CZ3 4.01Å; K842-W1022 HydrophobicContact CD-CD2 4.07Å; K842-W1022 HydrophobicContact CD-CG 4.34Å; K842-W1022 HydrophobicContact CD-CZ2 4.05Å; T843-W1022 WeakPolarHBondContact O-CZ3 3.23Å; F844-W1022 HydrophobicContact CB-CE3 3.85Å; F844-W1022 HydrophobicContact CB-CZ3 4.29Å; L920-W1022 HydrophobicContact CD1-CH2 3.99Å; L920-W1022 HydrophobicContact CD1-CZ2 3.77Å; V1006-W1022 HydrophobicContact CB-CH2 4.32Å; V1006-W1022 HydrophobicContact CG1-CH2 3.47Å; V1006-W1022 VanDerWaalsContact CG1-CH2 3.47Å; V1006-W1022 HydrophobicContact CG1-CZ2 4.2Å; V1006-W1022 HydrophobicContact CG1-CZ3 4.13Å; I1008-W1022 HydrophobicContact CB-CZ3 4.44Å; I1008-W1022 HydrophobicContact CD1-CH2 3.46Å; I1008-W1022 VanDerWaalsContact CD1-CH2 3.46Å; I1008-W1022 HydrophobicContact CD1-CZ2 4.22Å; I1008-W1022 HydrophobicContact CD1-CZ3 4.05Å; I1008-W1022 HydrophobicContact CG1-CH2 3.83Å; I1008-W1022 HydrophobicContact CG1-CZ3 4.07Å; I1016-W1022 HydrophobicContact CG2-CB 3.96Å; I1016-W1022 HydrophobicContact CG2-CD2 3.76Å; I1016-W1022 HydrophobicContact CG2-CE3 4.1Å; I1016-W1022 HydrophobicContact CG2-CG 3.71Å; D1019-W1022 PolarHBondContact O-N 3.34Å; D1019-W1022 VanDerWaalsContact O-N 3.1Å; D1019-W1022 VanDerWaalsContact OD2-CD1 3.31Å; D1019-W1022 PolarHBondContact OD2-NE1 3.04Å; P1020-W1022 PolarHBondContact O-N 2.87Å
1023	I	95.8	Very high	91.9	Very high	71 Å²	71	81.2 Å²	81.2	36%	0.364	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.2	165.9	-54.9	-171.5	0	0	0	108.3	M841 K842 T843 F844 K1025	M841-I1023 HydrophobicContact CE-CD1 4.2Å; M841-I1023 HydrophobicContact CG-CD1 4.38Å; M841-I1023 HydrophobicContact SD-CD1 3.23Å; M841-I1023 WeakPolarHBondContact SD-CD1 3.45Å; M841-I1023 HydrophobicContact SD-CG1 3.93Å; K842-I1023 PolarHBondContact O-N 3.05Å; T843-I1023 WeakPolarHBondContact CA-O 3.27Å; F844-I1023 PolarHBondContact N-O 3.3Å; I1023-K1025 HydrophobicContact CG2-CD 4.37Å; I1023-K1025 HydrophobicContact CG2-CG 4.06Å
1024	L	92.7	Very high	92	Very high	88 Å²	88	84.9 Å²	84.9	46%	0.461	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.2	173.2	-49.9	179.9	0	0	0	109.5	F844 I1016 K1017	F844-L1024 HydrophobicContact CB-CD2 4.02Å; F844-L1024 HydrophobicContact CD1-CD2 3.93Å; F844-L1024 HydrophobicContact CG-CD2 4.35Å; I1016-L1024 HydrophobicContact CG2-CD2 3.97Å; K1017-L1024 HydrophobicContact CG-CD1 4.1Å
1025	K	84.3	Confident	92.3	Very high	139 Å²	139	83.7 Å²	83.7	60%	0.604	44%	0.44	S	S	*	.			trans	-139	0	-168.5	-83.2	-63.4	-174.6	-175.4	0	115.8	K743 T843 F844 F845 Q846 I1023	K743-K1025 PolarHBondContact NZ-OXT 3.3Å; T843-K1025 HydrophobicContact CG2-CB 4.22Å; T843-K1025 HydrophobicContact CG2-CG 3.87Å; F844-K1025 PolarHBondContact O-N 3.04Å; F845-K1025 HydrophobicContact CD1-CB 3.62Å; F845-K1025 HydrophobicContact CE1-CB 3.83Å; F845-K1025 HydrophobicContact CE1-CG 4.37Å; F845-K1025 HydrophobicContact CG-CB 4.48Å; Q846-K1025 PolarHBondContact N-O 3.43Å; I1023-K1025 HydrophobicContact CG2-CD 4.37Å; I1023-K1025 HydrophobicContact CG2-CG 4.06Å

Retrieved 1,025 of 1,025 residues in 1789.4 ms (Link to these results)

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