A0A3Q0KKX9_SCHMA Loading...

Guanylate cyclase

AlphaFold DB , UniProt , Accession A0A3Q0KKX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,254 aa.

						>A0A3Q0KKX9_SCHMA|A0A3Q0KKX9
MKVIIFIFYIYTTIYFTISQIQNQSQLNHYYLRLFILIPNDDCLSLNGLFNYTASIEDTIQLNKQTITNWAFNNTTTTNDNNSSNIEQYIIPITDCILTNNTFINMLTIYKQIQQYSQIINNDHKMYYNIMIGPYHPILCNQINQLMMLPYIDCFKSSLMTTLIYHTTYQCPLISSITYQSYCYNNTYTHQNHYQNDNNNFTNIESLTIGANKYQLSIALIKLLQYLNRLNILIIYDSSSNNHNHNNNDPLGIFTNHLAYLLYNGGNTGISVKAIYKWNNKEKNITNILQIGNVDISACIVIAQLSFYSTLLKYIYQWDQNILKTIMFIAYDMSLFSYDILKVWKYNAQNIDGDYSTLINYAFVLTSHPYGSKLHLTDEYLNQKDYLAMKLTLGMTICNFKHHIQQMEQAQQLSQLPKDNGFYGSLNNATLKIPIKSDLSLAIQFHEHPEQSQAALDFYLINAYTCNVDISNSSMNTTNTTINNITDDTVCLEIFSSMIWPDYNVSSMVLGSDWQLSATLQQTTTTTECIPNNGIVMALIFMSVLTATIALSLIAFLLARCYRRRKMYREGPNKLILYPDDVVFMKTHKTVKHTTPSNVDLRFPTMTSETKLNGSTTSHINQGKIDNQAKSLVSVMSGDGIEDTNVARYNNSLIYIKRLELNNAALKSKFLDHVRLLREIRNENVNPLIGCYVDISALCLVFDHCTRGSLKDIIKKDSINLDWEFKLSLITDVVKGMRYIHSCPIKKHGWLKSTNCCVDGRWVVKITDYGLPEIFGIYGTNRKMKDEEWLWTAPEHLREETNIYTGSPKGDVYSFSIVMQEIITRDEPYGMLGLTASEILSKVRKPPPLCRPKVSQSEAPPAYLEFMKRAWAESPVMRPTFEEIYQQLRQLNQGKKINIVDHMFKMMEKYSADLEDQVRVRTEELETEKKKTELLIARMLPPVVAETLMSGKPVCPEAFDEVTIYFSDIVGFTTISALSTPFQVVDLLNDLYTMFDSTIDFYDVYKVETIGDAYMVVSGLPIRNGQLHAGEIATMALDLLSQCGTFVIRHMPDVPLRLRIGLHSGSCVAGVVGLTMPRYCLFGDTVNTASRMESTGSAFRIHVSPTTKSILDILGGYHLQLRGKVELKGKGLVDSFWLIGKDNFNKPLPDPPPLTEGDNHGLASLLKPEEIKAMAEKNKLDSNESVEKLKNDDIHTHEKQTHDNTSPKRKSSNYSVHFTGENSDQPTGSSQNTERNKTDKTRRKSSKGPLPPVN
					

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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	28.7	Very low	41	Very low	133 Å²	133	114.3 Å²	114.3	66%	0.655	53%	0.529	S	S	*	.				0	-94.2	0	-69.8	-156	177.1	0	0	118.5	V3 I4 I5 N1254	M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.13Å; M1-I4 WeakPolarHBondContact O-CA 3.49Å; M1-I4 WeakPolarHBondContact O-CB 3.37Å; M1-I4 PolarHBondContact O-N 2.96Å; M1-I5 PolarHBondContact O-N 3.37Å; M1-N1254 WeakPolarHBondContact CA-O 3.27Å; M1-N1254 WeakPolarHBondContact CG-O 3.31Å; M1-N1254 PolarHBondContact N-O 2.82Å; M1-N1254 PolarHBondContact N-OXT 3.49Å; M1-N1254 VanDerWaalsContact N-OXT 3.07Å
2	K	30.1	Very low	41.7	Very low	191 Å²	191	110 Å²	110	83%	0.83	52%	0.517	S	S	*	.	H	α-helix	trans	-50.3	-46.6	-161.7	-77.6	-171.3	178.2	-177	0	115.2	I4 I5 F6	K2-I4 PolarHBondContact O-N 3Å; K2-I5 PolarHBondContact O-N 2.99Å; K2-F6 PolarHBondContact O-N 3.13Å
3	V	36.3	Very low	42.2	Very low	87 Å²	87	105.3 Å²	105.3	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-39.4	176.3	178.5	0	0	0	0	112.2	M1 F6 I7	M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.13Å; V3-F6 PolarHBondContact O-N 3.46Å; V3-I7 HydrophobicContact CG1-CD1 3.85Å; V3-I7 HydrophobicContact CG1-CG1 4.49Å; V3-I7 VanDerWaalsContact O-CG1 3.29Å; V3-I7 WeakPolarHBondContact O-CG1 3.34Å; V3-I7 PolarHBondContact O-N 3.27Å
4	I	40.4	Very low	42.8	Very low	69 Å²	69	102.3 Å²	102.3	35%	0.354	49%	0.488	S	S	.	.	H	α-helix	trans	-67.3	-41.5	178.3	-60.6	171.4	0	0	0	110.5	M1 K2 F6 I7 F8 N1254	M1-I4 WeakPolarHBondContact O-CA 3.49Å; M1-I4 WeakPolarHBondContact O-CB 3.37Å; M1-I4 PolarHBondContact O-N 2.96Å; K2-I4 PolarHBondContact O-N 3Å; I4-F6 VanDerWaalsContact C-N 3.32Å; I4-F6 PolarHBondContact O-N 3.34Å; I4-I7 PolarHBondContact O-N 3.3Å; I4-F8 WeakPolarHBondContact O-CB 3.35Å; I4-F8 PolarHBondContact O-N 2.95Å; I4-N1254 HydrophobicContact CD1-CB 3.94Å
5	I	41.9	Very low	43.2	Very low	111 Å²	111	105.9 Å²	105.9	57%	0.569	50%	0.497	S	S	*	.	H	α-helix	trans	-62.7	-40.9	175.9	-63.4	168.4	0	0	0	110.5	M1 K2 F8 Y9	M1-I5 PolarHBondContact O-N 3.37Å; K2-I5 PolarHBondContact O-N 2.99Å; I5-F8 PolarHBondContact O-N 3.2Å; I5-Y9 WeakPolarHBondContact O-CB 3.4Å; I5-Y9 PolarHBondContact O-N 2.61Å
6	F	41.6	Very low	43.5	Very low	93 Å²	93	108.3 Å²	108.3	41%	0.408	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-44	177.9	-165.3	-106.4	0	0	0	112.6	K2 V3 I4 F8 Y9 I10 I91	K2-F6 PolarHBondContact O-N 3.13Å; V3-F6 PolarHBondContact O-N 3.46Å; I4-F6 VanDerWaalsContact C-N 3.32Å; I4-F6 PolarHBondContact O-N 3.34Å; F6-F8 VanDerWaalsContact C-N 3.34Å; F6-F8 PolarHBondContact O-N 2.69Å; F6-Y9 PolarHBondContact O-N 3.42Å; F6-I10 HydrophobicContact CD1-CD1 3.79Å; F6-I10 HydrophobicContact CE1-CD1 3.66Å; F6-I10 HydrophobicContact CZ-CD1 4.4Å; F6-I10 WeakPolarHBondContact O-CG1 3.48Å; F6-I10 PolarHBondContact O-N 3.39Å; F6-I91 HydrophobicContact CE1-CG2 4.28Å; F6-I91 HydrophobicContact CZ-CG2 4.15Å
7	I	45.8	Very low	43.7	Very low	86 Å²	86	104.3 Å²	104.3	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-43.4	173.7	-69.6	167.2	0	0	0	110.8	V3 I4 Y9 I10 Y11	V3-I7 HydrophobicContact CG1-CD1 3.85Å; V3-I7 HydrophobicContact CG1-CG1 4.49Å; V3-I7 VanDerWaalsContact O-CG1 3.29Å; V3-I7 WeakPolarHBondContact O-CG1 3.34Å; V3-I7 PolarHBondContact O-N 3.27Å; I4-I7 PolarHBondContact O-N 3.3Å; I7-Y9 VanDerWaalsContact C-N 3.35Å; I7-Y9 PolarHBondContact O-N 3.45Å; I7-I10 PolarHBondContact O-N 3.09Å; I7-Y11 WeakPolarHBondContact O-CB 3.43Å; I7-Y11 PolarHBondContact O-N 2.95Å
8	F	45	Very low	44	Very low	149 Å²	149	102.7 Å²	102.7	65%	0.654	48%	0.484	S	S	*	.	H	α-helix	trans	-63.6	-40.9	177.6	-153.2	-88.4	0	0	0	111.6	I4 I5 F6 Y11 T12	I4-F8 WeakPolarHBondContact O-CB 3.35Å; I4-F8 PolarHBondContact O-N 2.95Å; I5-F8 PolarHBondContact O-N 3.2Å; F6-F8 VanDerWaalsContact C-N 3.34Å; F6-F8 PolarHBondContact O-N 2.69Å; F8-Y11 PolarHBondContact O-N 3.15Å; F8-T12 HydrophobicContact CD1-CG2 4.05Å; F8-T12 HydrophobicContact CE1-CG2 3.99Å; F8-T12 PolarHBondContact O-N 3.5Å; F8-T12 PolarHBondContact O-OG1 2.82Å; F8-T12 VanDerWaalsContact O-OG1 3.05Å
9	Y	44.7	Very low	44.1	Very low	159 Å²	159	100.2 Å²	100.2	62%	0.624	48%	0.479	S	S	*	.	H	α-helix	trans	-62.5	-45	176.6	-170.3	-95	0	0	0	112.2	I5 F6 I7 T12 T13	I5-Y9 WeakPolarHBondContact O-CB 3.4Å; I5-Y9 PolarHBondContact O-N 2.61Å; F6-Y9 PolarHBondContact O-N 3.42Å; I7-Y9 VanDerWaalsContact C-N 3.35Å; I7-Y9 PolarHBondContact O-N 3.45Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.26Å; Y9-T12 PolarHBondContact O-N 3.29Å; Y9-T12 PolarHBondContact O-OG1 3.26Å; Y9-T13 WeakPolarHBondContact O-CB 3.35Å; Y9-T13 PolarHBondContact O-N 2.71Å; Y9-T13 PolarHBondContact O-OG1 3.03Å
10	I	47.3	Very low	44.2	Very low	49 Å²	49	101.7 Å²	101.7	25%	0.251	49%	0.485	S	S	.	.	H	α-helix	trans	-58.7	-48.5	173.5	-70.2	168.3	0	0	0	110.4	F6 I7 T12 T13 I14 I91	F6-I10 HydrophobicContact CD1-CD1 3.79Å; F6-I10 HydrophobicContact CE1-CD1 3.66Å; F6-I10 HydrophobicContact CZ-CD1 4.4Å; F6-I10 WeakPolarHBondContact O-CG1 3.48Å; F6-I10 PolarHBondContact O-N 3.39Å; I7-I10 PolarHBondContact O-N 3.09Å; I10-T12 PolarHBondContact O-N 3.22Å; I10-T13 PolarHBondContact O-N 3.33Å; I10-I14 HydrophobicContact CG2-CD1 3.64Å; I10-I14 HydrophobicContact CG2-CG1 4.46Å; I10-I14 WeakPolarHBondContact O-CG1 3.38Å; I10-I14 PolarHBondContact O-N 3.11Å; I10-I91 HydrophobicContact CD1-CG2 4.22Å
11	Y	48.8	Very low	44.2	Very low	130 Å²	130	100 Å²	100	51%	0.51	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-44.9	179.7	-149.3	-82.4	0	0	0	111.9	I7 F8 Y15	I7-Y11 WeakPolarHBondContact O-CB 3.43Å; I7-Y11 PolarHBondContact O-N 2.95Å; F8-Y11 PolarHBondContact O-N 3.15Å; Y11-Y15 VanDerWaalsContact O-CB 3.26Å; Y11-Y15 WeakPolarHBondContact O-CB 3.28Å; Y11-Y15 PolarHBondContact O-N 3.08Å
12	T	49.5	Very low	44.9	Very low	63 Å²	63	101.3 Å²	101.3	39%	0.387	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-36	176.2	47.6	0	0	0	0	113	F8 Y9 I10 Y15 F16	F8-T12 HydrophobicContact CD1-CG2 4.05Å; F8-T12 HydrophobicContact CE1-CG2 3.99Å; F8-T12 PolarHBondContact O-N 3.5Å; F8-T12 PolarHBondContact O-OG1 2.82Å; F8-T12 VanDerWaalsContact O-OG1 3.05Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.26Å; Y9-T12 PolarHBondContact O-N 3.29Å; Y9-T12 PolarHBondContact O-OG1 3.26Å; I10-T12 PolarHBondContact O-N 3.22Å; T12-Y15 PolarHBondContact O-N 3.22Å; T12-F16 WeakPolarHBondContact O-CB 3.34Å; T12-F16 PolarHBondContact O-N 3.28Å
13	T	48.4	Very low	45.5	Very low	49 Å²	49	99 Å²	99	30%	0.301	48%	0.48	S	S	.	.	H	α-helix	trans	-71.3	-43.2	-177.1	-52.7	0	0	0	0	110.8	Y9 I10 F16 T17	Y9-T13 WeakPolarHBondContact O-CB 3.35Å; Y9-T13 PolarHBondContact O-N 2.71Å; Y9-T13 PolarHBondContact O-OG1 3.03Å; I10-T13 PolarHBondContact O-N 3.33Å; T13-F16 PolarHBondContact O-N 3.18Å; T13-T17 PolarHBondContact O-N 2.81Å; T13-T17 VanDerWaalsContact O-N 3.16Å; T13-T17 PolarHBondContact O-OG1 2.91Å; T13-T17 VanDerWaalsContact O-OG1 3.12Å
14	I	50.2	Low	45.6	Very low	63 Å²	63	101.4 Å²	101.4	32%	0.323	49%	0.485	S	S	.	.	H	α-helix	trans	-65.7	-40.5	175.1	-66.8	171.4	0	0	0	111	I10 T17 I18	I10-I14 HydrophobicContact CG2-CD1 3.64Å; I10-I14 HydrophobicContact CG2-CG1 4.46Å; I10-I14 WeakPolarHBondContact O-CG1 3.38Å; I10-I14 PolarHBondContact O-N 3.11Å; I14-T17 PolarHBondContact O-OG1 3.01Å; I14-T17 VanDerWaalsContact O-OG1 3.08Å; I14-I18 HydrophobicContact CG2-CD1 3.71Å; I14-I18 WeakPolarHBondContact O-CB 3.42Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.34Å; I14-I18 PolarHBondContact O-N 3.19Å; I14-I18 VanDerWaalsContact O-N 3.12Å
15	Y	49.9	Very low	45.2	Very low	157 Å²	157	104 Å²	104	62%	0.616	51%	0.51	S	S	*	.	H	α-helix	trans	-64.3	-41.2	176.9	-174	-95.2	0	0	0	112.2	Y11 T12 S19	Y11-Y15 VanDerWaalsContact O-CB 3.26Å; Y11-Y15 WeakPolarHBondContact O-CB 3.28Å; Y11-Y15 PolarHBondContact O-N 3.08Å; T12-Y15 PolarHBondContact O-N 3.22Å; Y15-S19 WeakPolarHBondContact O-CB 3.28Å; Y15-S19 PolarHBondContact O-N 3.44Å
16	F	47.7	Very low	45	Very low	144 Å²	144	107.1 Å²	107.1	63%	0.632	52%	0.522	S	S	*	.	H	α-helix	trans	-69.7	-37.7	-178.2	-144.6	-87.5	0	0	0	112.7	T12 T13 Q20	T12-F16 WeakPolarHBondContact O-CB 3.34Å; T12-F16 PolarHBondContact O-N 3.28Å; T13-F16 PolarHBondContact O-N 3.18Å; F16-Q20 HydrophobicContact CD1-CG 4.28Å; F16-Q20 VanDerWaalsContact O-CG 3.26Å; F16-Q20 WeakPolarHBondContact O-CG 3.35Å; F16-Q20 PolarHBondContact O-N 2.88Å
17	T	46.6	Very low	44.6	Very low	40 Å²	40	105.9 Å²	105.9	25%	0.245	52%	0.519	C	S	.	.	H	α-helix	trans	-69.9	-44	175.5	49.4	0	0	0	0	111.8	T13 I14 S19 Q20 I21	T13-T17 PolarHBondContact O-N 2.81Å; T13-T17 VanDerWaalsContact O-N 3.16Å; T13-T17 PolarHBondContact O-OG1 2.91Å; T13-T17 VanDerWaalsContact O-OG1 3.12Å; I14-T17 PolarHBondContact O-OG1 3.01Å; I14-T17 VanDerWaalsContact O-OG1 3.08Å; T17-S19 VanDerWaalsContact C-N 3.3Å; T17-S19 PolarHBondContact O-N 3.44Å; T17-Q20 PolarHBondContact O-N 2.98Å; T17-Q20 VanDerWaalsContact O-N 3.14Å; T17-I21 WeakPolarHBondContact O-CD1 3.41Å; T17-I21 VanDerWaalsContact O-CG1 3.27Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.13Å
18	I	49.1	Very low	44.2	Very low	75 Å²	75	107 Å²	107	39%	0.385	53%	0.526	S	S	.	.	H	α-helix	trans	-59.7	-41	174.4	-67.4	170.2	0	0	0	111	I14 Q20 I21 Q22	I14-I18 HydrophobicContact CG2-CD1 3.71Å; I14-I18 WeakPolarHBondContact O-CB 3.42Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.34Å; I14-I18 PolarHBondContact O-N 3.19Å; I14-I18 VanDerWaalsContact O-N 3.12Å; I18-Q20 PolarHBondContact O-N 2.73Å; I18-I21 PolarHBondContact O-N 2.92Å; I18-Q22 PolarHBondContact O-N 2.83Å
19	S	45.8	Very low	43.7	Very low	55 Å²	55	104 Å²	104	39%	0.385	51%	0.514	S	S	.	.	H	α-helix	trans	-70	-26.1	177	-174.5	0	0	0	0	114.1	Y15 T17	Y15-S19 WeakPolarHBondContact O-CB 3.28Å; Y15-S19 PolarHBondContact O-N 3.44Å; T17-S19 VanDerWaalsContact C-N 3.3Å; T17-S19 PolarHBondContact O-N 3.44Å
20	Q	46.4	Very low	43.4	Very low	130 Å²	130	98.7 Å²	98.7	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-74	-42.1	171.7	-74.8	-100	-46.5	0	0	111	F16 T17 I18 Q22 N23	F16-Q20 HydrophobicContact CD1-CG 4.28Å; F16-Q20 VanDerWaalsContact O-CG 3.26Å; F16-Q20 WeakPolarHBondContact O-CG 3.35Å; F16-Q20 PolarHBondContact O-N 2.88Å; T17-Q20 PolarHBondContact O-N 2.98Å; T17-Q20 VanDerWaalsContact O-N 3.14Å; I18-Q20 PolarHBondContact O-N 2.73Å; Q20-Q22 VanDerWaalsContact C-N 3.32Å; Q20-Q22 PolarHBondContact O-N 3.44Å; Q20-N23 PolarHBondContact O-N 2.9Å
21	I	44.6	Very low	42.9	Very low	68 Å²	68	100.8 Å²	100.8	35%	0.349	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-34.9	-179	-68.8	163.9	0	0	0	111.8	T17 I18 N23 Q24 Y30	T17-I21 WeakPolarHBondContact O-CD1 3.41Å; T17-I21 VanDerWaalsContact O-CG1 3.27Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.13Å; I18-I21 PolarHBondContact O-N 2.92Å; I21-N23 PolarHBondContact O-N 2.82Å; I21-Q24 PolarHBondContact O-N 3.33Å; I21-Q24 VanDerWaalsContact O-N 3.12Å; I21-Y30 HydrophobicContact CG2-CE1 3.67Å; I21-Y30 WeakPolarHBondContact CG2-OH 3.33Å
22	Q	43.3	Very low	42.2	Very low	160 Å²	160	97.6 Å²	97.6	75%	0.748	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.8	175.7	-80.2	-173.2	-40.6	0	0	115.1	I18 Q20	I18-Q22 PolarHBondContact O-N 2.83Å; Q20-Q22 VanDerWaalsContact C-N 3.32Å; Q20-Q22 PolarHBondContact O-N 3.44Å
23	N	42.3	Very low	41.6	Very low	143 Å²	143	100 Å²	100	77%	0.765	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.5	178.2	-77.9	-42.5	0	0	0	114.6	Q20 I21	Q20-N23 PolarHBondContact O-N 2.9Å; I21-N23 PolarHBondContact O-N 2.82Å
24	Q	38.6	Very low	41	Very low	136 Å²	136	100.1 Å²	100.1	64%	0.636	49%	0.49	S	S	*	.			trans	-118.8	108.2	178.4	-68.3	-168.4	-10.2	0	0	112.1	I21 Q26	I21-Q24 PolarHBondContact O-N 3.33Å; I21-Q24 VanDerWaalsContact O-N 3.12Å; Q24-Q26 PolarHBondContact O-N 2.85Å
25	S	31.1	Very low	40.4	Very low	124 Å²	124	99.8 Å²	99.8	87%	0.867	49%	0.486	S	S	*	.			trans	-92.1	24	-161	51.7	0	0	0	0	116.7
26	Q	37.5	Very low	39.8	Very low	176 Å²	176	93.3 Å²	93.3	82%	0.822	46%	0.462	S	S	*	.			trans	-143.2	28.7	-171.6	-70.6	-158.8	-22.6	0	0	117.3	Q24	Q24-Q26 PolarHBondContact O-N 2.85Å
27	L	34.7	Very low	39.2	Very low	67 Å²	67	91.3 Å²	91.3	35%	0.351	46%	0.458	S	S	.	.			trans	-120.1	123.3	-176.5	-74.1	165.2	0	0	0	113.7
28	N	35.9	Very low	38.7	Very low	109 Å²	109	90.9 Å²	90.9	58%	0.583	45%	0.454	S	S	*	.			trans	-90.3	-20.6	-170.4	-76.5	-14.8	0	0	0	115.7	H124	N28-H124 PolarHBondContact O-ND1 3.33Å
29	H	36.1	Very low	37.9	Very low	87 Å²	87	90.6 Å²	90.6	40%	0.403	46%	0.457	S	S	.	.			trans	-142.4	137	-172.9	-72.3	79.5	0	0	0	111.9
30	Y	37.1	Very low	37.3	Very low	48 Å²	48	90.1 Å²	90.1	19%	0.188	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.4	179.3	-65.1	-87.2	0	0	0	111	I21 M126	I21-Y30 HydrophobicContact CG2-CE1 3.67Å; I21-Y30 WeakPolarHBondContact CG2-OH 3.33Å; Y30-M126 HydrophobicContact CG-CE 4.46Å
31	Y	37.2	Very low	36.6	Very low	92 Å²	92	90.1 Å²	90.1	36%	0.361	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	177.1	-70.4	-84.7	0	0	0	110.4	Y127	Y31-Y127 AromaticContact CD1-CD2 3.63Å; Y31-Y127 HydrophobicContact CD1-CD2 3.63Å; Y31-Y127 HydrophobicContact CD1-CE2 4.42Å; Y31-Y127 HydrophobicContact CD1-CG 4.2Å; Y31-Y127 AromaticContact CE1-CD2 3.29Å; Y31-Y127 HydrophobicContact CE1-CD2 3.29Å; Y31-Y127 AromaticContact CE1-CE2 3.66Å; Y31-Y127 HydrophobicContact CE1-CE2 3.66Å; Y31-Y127 HydrophobicContact CE1-CG 4.03Å
32	L	35.2	Very low	36.2	Very low	64 Å²	64	93.5 Å²	93.5	34%	0.335	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	102.1	-179.4	-166.7	82.4	0	0	0	110.8	Y127 Y128	L32-Y127 PolarHBondContact N-O 2.74Å; L32-Y127 VanDerWaalsContact O-O 3.08Å; L32-Y128 HydrophobicContact CB-CD1 4.39Å; L32-Y128 HydrophobicContact CB-CE1 4.43Å; L32-Y128 HydrophobicContact CD2-CD1 4.17Å; L32-Y128 HydrophobicContact CD2-CE1 3.93Å
33	R	36.3	Very low	35.6	Very low	114 Å²	114	90.1 Å²	90.1	43%	0.43	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.4	174.5	-71.3	-177	175.2	173.3	-0.3	110.6	F35 N129	R33-F35 HydrophobicContact CB-CE2 3.99Å; R33-F35 HydrophobicContact CB-CZ 4.44Å; R33-N129 HydrophobicContact CG-CB 4.49Å
34	L	35.1	Very low	35	Very low	51 Å²	51	89.5 Å²	89.5	27%	0.267	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	100.7	-177.4	-166.2	90.4	0	0	0	110.3	I36 I91 N129	L34-I36 HydrophobicContact CD2-CD1 4.1Å; L34-I91 HydrophobicContact CD1-CD1 3.8Å; L34-N129 PolarHBondContact N-O 3.06Å
35	F	37	Very low	34.6	Very low	55 Å²	55	86.9 Å²	86.9	24%	0.241	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127	180	-64.3	-85.7	0	0	0	111.2	R33 I90 M131	R33-F35 HydrophobicContact CB-CE2 3.99Å; R33-F35 HydrophobicContact CB-CZ 4.44Å; F35-I90 HydrophobicContact CD2-CG1 3.94Å; F35-I90 HydrophobicContact CE2-CG1 4.32Å; F35-M131 HydrophobicContact CD1-SD 4.16Å; F35-M131 HydrophobicContact CE1-SD 4.06Å
36	I	38.4	Very low	34.7	Very low	22 Å²	22	89.2 Å²	89.2	11%	0.113	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	100.5	173.7	-71	158.7	0	0	0	108.1	L34 I38 I93 M106 I130	L34-I36 HydrophobicContact CD2-CD1 4.1Å; I36-I38 HydrophobicContact CG2-CD1 4.36Å; I36-I38 HydrophobicContact CG2-CG1 4.27Å; I36-I93 HydrophobicContact CG1-CD1 4.44Å; I36-I93 HydrophobicContact CG2-CD1 4.09Å; I36-M106 HydrophobicContact CD1-CE 3.71Å; I36-M106 HydrophobicContact CG1-CE 4.21Å; I36-M106 HydrophobicContact CG2-CE 3.91Å; I36-I130 HydrophobicContact CD1-CG2 4.27Å
37	L	34	Very low	34.4	Very low	102 Å²	102	84.6 Å²	84.6	53%	0.534	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.7	175	-82.6	156.3	0	0	0	109.7
38	I	37.6	Very low	34.2	Very low	31 Å²	31	85 Å²	85	16%	0.159	46%	0.461	C	S	.	.			trans	-115.3	118	171.4	-60.9	154.6	0	0	0	105.7	I36 L98 I132 Y135	I36-I38 HydrophobicContact CG2-CD1 4.36Å; I36-I38 HydrophobicContact CG2-CG1 4.27Å; I38-L98 HydrophobicContact CD1-CD1 3.4Å; I38-L98 HydrophobicContact CG1-CD1 3.95Å; I38-L98 HydrophobicContact CG2-CD1 4.33Å; I38-I132 HydrophobicContact CD1-CG2 3.64Å; I38-Y135 VanDerWaalsContact CD1-OH 3.27Å; I38-Y135 WeakPolarHBondContact CD1-OH 3.28Å
39	P	31.7	Very low	33.8	Very low	69 Å²	69	87.4 Å²	87.4	45%	0.448	47%	0.474	S	S	.	.			trans	-73	142.1	178.8	29.6	-32.9	0	0	0	110.7
40	N	33.3	Very low	33.6	Very low	44 Å²	44	90.8 Å²	90.8	24%	0.235	49%	0.487	C	S	.	.			trans	-80.4	149.3	166.8	-176.4	29.2	0	0	0	109.4	D42 C43 P134	N40-D42 PolarHBondContact ND2-OD2 3.16Å; N40-D42 PolarHBondContact O-N 2.86Å; N40-D42 VanDerWaalsContact O-N 3.15Å; N40-C43 WeakPolarHBondContact O-CB 3.38Å; N40-C43 PolarHBondContact O-N 2.96Å; N40-P134 HydrophobicContact CB-CG 4.34Å
41	D	32.5	Very low	33.5	Very low	131 Å²	131	93.2 Å²	93.2	70%	0.701	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-58.4	-29.2	178.5	-75.1	-40.2	0	0	0	111.7	C43 L44	D41-C43 VanDerWaalsContact C-N 3.26Å; D41-C43 PolarHBondContact O-N 2.85Å; D41-L44 VanDerWaalsContact O-CB 3.32Å; D41-L44 WeakPolarHBondContact O-CB 3.24Å; D41-L44 PolarHBondContact O-N 2.72Å; D41-L44 VanDerWaalsContact O-N 3.12Å
42	D	34.5	Very low	33.2	Very low	139 Å²	139	94.6 Å²	94.6	74%	0.743	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-71.5	-14.2	177	-54.7	-55.1	0	0	0	114.4	N40 L44	N40-D42 PolarHBondContact ND2-OD2 3.16Å; N40-D42 PolarHBondContact O-N 2.86Å; N40-D42 VanDerWaalsContact O-N 3.15Å; D42-L44 PolarHBondContact O-N 2.69Å
43	C	31.5	Very low	33.2	Very low	89 Å²	89	96.1 Å²	96.1	60%	0.601	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-73.7	-14.7	171	-65.5	0	0	0	0	112	N40 D41 S45	N40-C43 WeakPolarHBondContact O-CB 3.38Å; N40-C43 PolarHBondContact O-N 2.96Å; D41-C43 VanDerWaalsContact C-N 3.26Å; D41-C43 PolarHBondContact O-N 2.85Å; C43-S45 VanDerWaalsContact C-N 3.31Å; C43-S45 PolarHBondContact O-N 2.84Å
44	L	29.9	Very low	33.3	Very low	130 Å²	130	92 Å²	92	68%	0.681	51%	0.511	S	S	*	.			trans	-80.3	76.7	170.9	-64	163.6	0	0	0	110.1	D41 D42 L46	D41-L44 VanDerWaalsContact O-CB 3.32Å; D41-L44 WeakPolarHBondContact O-CB 3.24Å; D41-L44 PolarHBondContact O-N 2.72Å; D41-L44 VanDerWaalsContact O-N 3.12Å; D42-L44 PolarHBondContact O-N 2.69Å; L44-L46 PolarHBondContact O-N 2.69Å
45	S	30.9	Very low	33.3	Very low	80 Å²	80	92.1 Å²	92.1	56%	0.559	52%	0.516	S	S	*	.			trans	-56.2	132.7	164.9	82	0	0	0	0	109.1	C43 N47	C43-S45 VanDerWaalsContact C-N 3.31Å; C43-S45 PolarHBondContact O-N 2.84Å; S45-N47 PolarHBondContact O-N 3.32Å
46	L	31.7	Very low	33.2	Very low	173 Å²	173	92 Å²	92	91%	0.906	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	1.2	179.6	-93	86.1	0	0	0	114.9	L44	L44-L46 PolarHBondContact O-N 2.69Å
47	N	32.4	Very low	33.4	Very low	80 Å²	80	97 Å²	97	43%	0.428	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	2.4	-167.1	-74.9	31.9	0	0	0	115	S45 L49 R648	S45-N47 PolarHBondContact O-N 3.32Å; N47-L49 PolarHBondContact O-N 3.11Å; N47-R648 PolarHBondContact ND2-NH1 2.98Å; N47-R648 VanDerWaalsContact ND2-NH1 3.19Å
48	G	29.9	Very low	33.7	Very low	75 Å²	75	96.7 Å²	96.7	77%	0.773	54%	0.54	S	S	*	.			trans	57.3	40.2	157.7	0	0	0	0	0	118.3
49	L	28.5	Very low	33.6	Very low	160 Å²	160	98 Å²	98	84%	0.838	55%	0.549	S	S	*	.			trans	-130.4	11	-174.3	-112.4	159.5	0	0	0	116	N47 N51	N47-L49 PolarHBondContact O-N 3.11Å; L49-N51 PolarHBondContact O-N 3.33Å
50	F	29.9	Very low	33.9	Very low	158 Å²	158	99.2 Å²	99.2	69%	0.693	55%	0.551	S	S	*	*			trans	-90.2	103.3	171.1	-148.2	-93.6	0	0	0	110.1	Y52	F50-Y52 VanDerWaalsContact C-N 3.27Å; F50-Y52 AromaticContact CD1-CD2 3.98Å; F50-Y52 HydrophobicContact CD1-CD2 3.98Å; F50-Y52 HydrophobicContact CD1-CE2 4.22Å; F50-Y52 PolarHBondContact O-N 2.87Å
51	N	35.2	Very low	34.4	Very low	99 Å²	99	102.6 Å²	102.6	53%	0.529	57%	0.565	S	S	.	*			trans	-76	79.6	179.7	-171.8	-8.2	0	0	0	110.3	L49 T53 A54 S55	L49-N51 PolarHBondContact O-N 3.33Å; N51-T53 PolarHBondContact O-N 3.37Å; N51-T53 PolarHBondContact OD1-N 2.88Å; N51-T53 PolarHBondContact OD1-OG1 3.34Å; N51-A54 HydrophobicContact CB-CB 4.03Å; N51-A54 VanDerWaalsContact CG-CB 3.47Å; N51-A54 WeakPolarHBondContact ND2-CB 3.43Å; N51-A54 PolarHBondContact O-N 2.91Å; N51-A54 VanDerWaalsContact O-N 3.07Å; N51-A54 PolarHBondContact OD1-N 3Å; N51-S55 PolarHBondContact O-N 3.19Å
52	Y	31.9	Very low	34.6	Very low	121 Å²	121	101.5 Å²	101.5	48%	0.475	56%	0.559	S	S	.	*	H	α-helix	trans	-51.4	-39.3	178.3	-112.9	-89.9	0	0	0	112.4	F50 S55 I56 T94	F50-Y52 VanDerWaalsContact C-N 3.27Å; F50-Y52 AromaticContact CD1-CD2 3.98Å; F50-Y52 HydrophobicContact CD1-CD2 3.98Å; F50-Y52 HydrophobicContact CD1-CE2 4.22Å; F50-Y52 PolarHBondContact O-N 2.87Å; Y52-S55 PolarHBondContact O-N 3.44Å; Y52-I56 HydrophobicContact CD1-CD1 4.15Å; Y52-I56 WeakPolarHBondContact O-CB 3.24Å; Y52-I56 WeakPolarHBondContact O-CD1 3.29Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.47Å; Y52-I56 PolarHBondContact O-N 3.25Å; Y52-T94 HydrophobicContact CD1-CG2 4.48Å
53	T	34.9	Very low	34.6	Very low	96 Å²	96	97.6 Å²	97.6	59%	0.589	54%	0.538	S	S	*	.	H	α-helix	trans	-60.4	-49.7	175.4	19.1	0	0	0	0	112.3	N51 S55 I56 E57	N51-T53 PolarHBondContact O-N 3.37Å; N51-T53 PolarHBondContact OD1-N 2.88Å; N51-T53 PolarHBondContact OD1-OG1 3.34Å; T53-S55 PolarHBondContact O-N 3.13Å; T53-I56 PolarHBondContact O-N 3.45Å; T53-E57 WeakPolarHBondContact O-CB 3.46Å; T53-E57 WeakPolarHBondContact O-CG 3.37Å; T53-E57 PolarHBondContact O-N 3.16Å
54	A	38.7	Very low	35	Very low	27 Å²	27	100.2 Å²	100.2	22%	0.223	54%	0.539	C	S	.	.	H	α-helix	trans	-63.7	-42.5	176.8	0	0	0	0	0	112.1	N51 I56 E57 D58	N51-A54 HydrophobicContact CB-CB 4.03Å; N51-A54 VanDerWaalsContact CG-CB 3.47Å; N51-A54 WeakPolarHBondContact ND2-CB 3.43Å; N51-A54 PolarHBondContact O-N 2.91Å; N51-A54 VanDerWaalsContact O-N 3.07Å; N51-A54 PolarHBondContact OD1-N 3Å; A54-I56 VanDerWaalsContact C-N 3.26Å; A54-I56 PolarHBondContact O-N 3.4Å; A54-E57 PolarHBondContact O-N 3.36Å; A54-D58 VanDerWaalsContact O-CB 3.31Å; A54-D58 WeakPolarHBondContact O-CB 3.37Å; A54-D58 VanDerWaalsContact O-CG 3.24Å; A54-D58 PolarHBondContact O-N 3.25Å
55	S	34	Very low	35.3	Very low	53 Å²	53	99.2 Å²	99.2	37%	0.371	53%	0.531	S	S	.	.	H	α-helix	trans	-64.1	-31.5	178.2	-171.4	0	0	0	0	112.9	N51 Y52 T53 T59	N51-S55 PolarHBondContact O-N 3.19Å; Y52-S55 PolarHBondContact O-N 3.44Å; T53-S55 PolarHBondContact O-N 3.13Å; S55-T59 WeakPolarHBondContact O-CB 3.18Å; S55-T59 PolarHBondContact O-N 3.02Å; S55-T59 VanDerWaalsContact O-N 3.14Å; S55-T59 PolarHBondContact O-OG1 2.91Å
56	I	36.4	Very low	35.4	Very low	52 Å²	52	99.5 Å²	99.5	27%	0.267	53%	0.529	S	S	.	.	H	α-helix	trans	-75.7	-43.3	173.8	-70.6	165.4	0	0	0	110.5	Y52 T53 A54 T59 I60 P92	Y52-I56 HydrophobicContact CD1-CD1 4.15Å; Y52-I56 WeakPolarHBondContact O-CB 3.24Å; Y52-I56 WeakPolarHBondContact O-CD1 3.29Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.47Å; Y52-I56 PolarHBondContact O-N 3.25Å; T53-I56 PolarHBondContact O-N 3.45Å; A54-I56 VanDerWaalsContact C-N 3.26Å; A54-I56 PolarHBondContact O-N 3.4Å; I56-T59 PolarHBondContact O-N 2.91Å; I56-I60 HydrophobicContact CG2-CD1 3.74Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 WeakPolarHBondContact O-CB 3.19Å; I56-I60 VanDerWaalsContact O-CG1 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 3.08Å; I56-P92 HydrophobicContact CD1-CB 4Å; I56-P92 HydrophobicContact CD1-CG 3.73Å; I56-P92 HydrophobicContact CG1-CG 4.23Å
57	E	41.3	Very low	35.4	Very low	128 Å²	128	96.8 Å²	96.8	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-62.4	-40.5	175.5	-75	179.5	135.7	0	0	112.1	T53 A54 I60 Q61	T53-E57 WeakPolarHBondContact O-CB 3.46Å; T53-E57 WeakPolarHBondContact O-CG 3.37Å; T53-E57 PolarHBondContact O-N 3.16Å; A54-E57 PolarHBondContact O-N 3.36Å; E57-I60 PolarHBondContact O-N 3.48Å; E57-Q61 WeakPolarHBondContact O-CB 3.47Å; E57-Q61 VanDerWaalsContact O-CG 3.32Å; E57-Q61 WeakPolarHBondContact O-CG 3.38Å; E57-Q61 PolarHBondContact O-N 3.01Å
58	D	40.4	Very low	35.4	Very low	96 Å²	96	96.4 Å²	96.4	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-42.1	174.2	-73	-25.2	0	0	0	111.1	A54 I60 Q61 L62	A54-D58 VanDerWaalsContact O-CB 3.31Å; A54-D58 WeakPolarHBondContact O-CB 3.37Å; A54-D58 VanDerWaalsContact O-CG 3.24Å; A54-D58 PolarHBondContact O-N 3.25Å; D58-I60 VanDerWaalsContact C-N 3.32Å; D58-I60 PolarHBondContact O-N 3.27Å; D58-Q61 PolarHBondContact O-N 3.33Å; D58-L62 WeakPolarHBondContact O-CB 3.23Å; D58-L62 PolarHBondContact O-N 2.97Å
59	T	35.7	Very low	35.6	Very low	58 Å²	58	97.6 Å²	97.6	36%	0.356	50%	0.504	S	S	.	.	H	α-helix	trans	-66	-35.6	175.5	-56.6	0	0	0	0	111.6	S55 I56 N63 I90	S55-T59 WeakPolarHBondContact O-CB 3.18Å; S55-T59 PolarHBondContact O-N 3.02Å; S55-T59 VanDerWaalsContact O-N 3.14Å; S55-T59 PolarHBondContact O-OG1 2.91Å; I56-T59 PolarHBondContact O-N 2.91Å; T59-N63 WeakPolarHBondContact O-CB 3.27Å; T59-N63 PolarHBondContact O-N 3.16Å; T59-N63 PolarHBondContact O-ND2 3.39Å; T59-I90 HydrophobicContact CG2-CD1 4.07Å
60	I	39.1	Very low	35.7	Very low	95 Å²	95	96.7 Å²	96.7	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-72.1	-37.7	174.4	-69.4	167	0	0	0	111.3	I56 E57 D58 K64	I56-I60 HydrophobicContact CG2-CD1 3.74Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 WeakPolarHBondContact O-CB 3.19Å; I56-I60 VanDerWaalsContact O-CG1 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 3.08Å; E57-I60 PolarHBondContact O-N 3.48Å; D58-I60 VanDerWaalsContact C-N 3.32Å; D58-I60 PolarHBondContact O-N 3.27Å; I60-K64 WeakPolarHBondContact O-CB 3.4Å; I60-K64 PolarHBondContact O-N 3.12Å
61	Q	42.1	Very low	35.8	Very low	115 Å²	115	92.2 Å²	92.2	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-50.4	174	-84.6	-91	-1.6	0	0	111.6	E57 D58 K64 Q65	E57-Q61 WeakPolarHBondContact O-CB 3.47Å; E57-Q61 VanDerWaalsContact O-CG 3.32Å; E57-Q61 WeakPolarHBondContact O-CG 3.38Å; E57-Q61 PolarHBondContact O-N 3.01Å; D58-Q61 PolarHBondContact O-N 3.33Å; Q61-K64 WeakPolarHBondContact O-CB 3.45Å; Q61-K64 PolarHBondContact O-N 3.28Å; Q61-Q65 PolarHBondContact O-N 3.3Å
62	L	37.7	Very low	35.6	Very low	108 Å²	108	95.4 Å²	95.4	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-57.1	-51.1	175.4	-99.6	129.3	0	0	0	110.7	D58 K64 Q65 T66	D58-L62 WeakPolarHBondContact O-CB 3.23Å; D58-L62 PolarHBondContact O-N 2.97Å; L62-K64 VanDerWaalsContact C-N 3.32Å; L62-K64 PolarHBondContact O-N 3.36Å; L62-Q65 PolarHBondContact O-N 3.21Å; L62-Q65 VanDerWaalsContact O-N 3.15Å; L62-T66 PolarHBondContact O-N 3.25Å; L62-T66 PolarHBondContact O-OG1 3.15Å
63	N	35.6	Very low	35.6	Very low	57 Å²	57	95.6 Å²	95.6	31%	0.305	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-39.9	177.3	-76.5	-36.3	0	0	0	112.1	T59 T66 I67	T59-N63 WeakPolarHBondContact O-CB 3.27Å; T59-N63 PolarHBondContact O-N 3.16Å; T59-N63 PolarHBondContact O-ND2 3.39Å; N63-T66 PolarHBondContact O-N 2.99Å; N63-I67 WeakPolarHBondContact O-CB 3.4Å; N63-I67 VanDerWaalsContact O-CD1 3.31Å; N63-I67 WeakPolarHBondContact O-CD1 3.12Å; N63-I67 WeakPolarHBondContact O-CG1 3.33Å; N63-I67 PolarHBondContact O-N 3.28Å
64	K	38.1	Very low	35.3	Very low	143 Å²	143	96 Å²	96	62%	0.622	50%	0.499	S	S	*	.	H	α-helix	trans	-59.7	-48	172.1	-98.1	-178.3	171.1	177.7	0	112.5	I60 Q61 L62 I67 T68	I60-K64 WeakPolarHBondContact O-CB 3.4Å; I60-K64 PolarHBondContact O-N 3.12Å; Q61-K64 WeakPolarHBondContact O-CB 3.45Å; Q61-K64 PolarHBondContact O-N 3.28Å; L62-K64 VanDerWaalsContact C-N 3.32Å; L62-K64 PolarHBondContact O-N 3.36Å; K64-I67 PolarHBondContact O-N 3.13Å; K64-T68 PolarHBondContact O-N 3.02Å; K64-T68 PolarHBondContact O-OG1 3.43Å; K64-T68 VanDerWaalsContact O-OG1 3.06Å
65	Q	37.2	Very low	34.9	Very low	110 Å²	110	100.2 Å²	100.2	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-42.8	179.2	-79.9	-174.4	-25.7	0	0	111.9	Q61 L62 T68 N69	Q61-Q65 PolarHBondContact O-N 3.3Å; L62-Q65 PolarHBondContact O-N 3.21Å; L62-Q65 VanDerWaalsContact O-N 3.15Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.27Å; Q65-T68 PolarHBondContact O-N 2.84Å; Q65-T68 PolarHBondContact O-OG1 2.83Å; Q65-N69 VanDerWaalsContact O-CB 3.31Å; Q65-N69 WeakPolarHBondContact O-CB 3.5Å; Q65-N69 PolarHBondContact O-N 2.71Å
66	T	32.6	Very low	34.6	Very low	85 Å²	85	102.9 Å²	102.9	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-43.8	175.7	-51.3	0	0	0	0	110.9	L62 N63 W70	L62-T66 PolarHBondContact O-N 3.25Å; L62-T66 PolarHBondContact O-OG1 3.15Å; N63-T66 PolarHBondContact O-N 2.99Å; T66-W70 VanDerWaalsContact O-CB 3.23Å; T66-W70 WeakPolarHBondContact O-CB 3.48Å; T66-W70 PolarHBondContact O-N 3.35Å
67	I	31.6	Very low	34.3	Very low	117 Å²	117	107.3 Å²	107.3	60%	0.6	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-45	175.6	-70.1	163.3	0	0	0	111.3	N63 K64 W70 A71	N63-I67 WeakPolarHBondContact O-CB 3.4Å; N63-I67 VanDerWaalsContact O-CD1 3.31Å; N63-I67 WeakPolarHBondContact O-CD1 3.12Å; N63-I67 WeakPolarHBondContact O-CG1 3.33Å; N63-I67 PolarHBondContact O-N 3.28Å; K64-I67 PolarHBondContact O-N 3.13Å; I67-W70 PolarHBondContact O-N 3.19Å; I67-A71 WeakPolarHBondContact O-CB 3.36Å; I67-A71 PolarHBondContact O-N 2.93Å
68	T	33.3	Very low	33.6	Very low	71 Å²	71	107 Å²	107	44%	0.436	57%	0.572	S	S	.	*	H	α-helix	trans	-68.9	-39.4	179.3	48.2	0	0	0	0	113.2	K64 Q65 W70 A71 F72	K64-T68 PolarHBondContact O-N 3.02Å; K64-T68 PolarHBondContact O-OG1 3.43Å; K64-T68 VanDerWaalsContact O-OG1 3.06Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.27Å; Q65-T68 PolarHBondContact O-N 2.84Å; Q65-T68 PolarHBondContact O-OG1 2.83Å; T68-W70 VanDerWaalsContact C-N 3.34Å; T68-A71 PolarHBondContact O-N 3.33Å; T68-F72 PolarHBondContact O-N 3.13Å; T68-F72 VanDerWaalsContact O-N 3.17Å
69	N	34.3	Very low	33	Very low	100 Å²	100	109.3 Å²	109.3	54%	0.535	59%	0.585	S	S	.	*	H	α-helix	trans	-70.2	-32.9	178.8	-70.2	-8.8	0	0	0	111.6	Q65 N73	Q65-N69 VanDerWaalsContact O-CB 3.31Å; Q65-N69 WeakPolarHBondContact O-CB 3.5Å; Q65-N69 PolarHBondContact O-N 2.71Å; N69-N73 PolarHBondContact O-N 3.24Å; N69-N73 PolarHBondContact O-ND2 3.46Å
70	W	30.9	Very low	32.7	Very low	141 Å²	141	114.3 Å²	114.3	53%	0.534	61%	0.61	S	S	.	*	H	α-helix	trans	-74.6	-36.1	176.1	-158.7	70	0	0	0	112.4	T66 I67 T68 N74 N85	T66-W70 VanDerWaalsContact O-CB 3.23Å; T66-W70 WeakPolarHBondContact O-CB 3.48Å; T66-W70 PolarHBondContact O-N 3.35Å; I67-W70 PolarHBondContact O-N 3.19Å; T68-W70 VanDerWaalsContact C-N 3.34Å; W70-N74 PolarHBondContact O-ND2 3.44Å; W70-N85 HydrophobicContact CH2-CB 4.44Å; W70-N85 WeakPolarHBondContact CH2-OD1 3.22Å; W70-N85 HydrophobicContact CZ3-CB 4.44Å
71	A	30.4	Very low	32.1	Very low	65 Å²	65	116.9 Å²	116.9	54%	0.537	62%	0.624	S	S	.	*	H	α-helix	trans	-67.9	-30.9	175.3	0	0	0	0	0	113.7	I67 T68	I67-A71 WeakPolarHBondContact O-CB 3.36Å; I67-A71 PolarHBondContact O-N 2.93Å; T68-A71 PolarHBondContact O-N 3.33Å
72	F	31.1	Very low	31.4	Very low	166 Å²	166	119.5 Å²	119.5	73%	0.728	64%	0.642	S	S	*	*	H	α-helix	trans	-83.4	-25	179.9	-100.1	-86.5	0	0	0	114.8	T68	T68-F72 PolarHBondContact O-N 3.13Å; T68-F72 VanDerWaalsContact O-N 3.17Å
73	N	31.8	Very low	31	Very low	125 Å²	125	118.7 Å²	118.7	67%	0.668	65%	0.646	S	S	*	*	H	α-helix	trans	-89.3	-13.7	-173.2	-74.5	-15.4	0	0	0	114.6	N69	N69-N73 PolarHBondContact O-N 3.24Å; N69-N73 PolarHBondContact O-ND2 3.46Å
74	N	30	Very low	30.7	Very low	105 Å²	105	118.6 Å²	118.6	56%	0.561	65%	0.649	S	S	*	*	S	Bend	trans	-102.5	14.5	-171.9	-71.5	-20.7	0	0	0	114.8	W70	W70-N74 PolarHBondContact O-ND2 3.44Å
75	T	28.9	Very low	30.4	Very low	114 Å²	114	116.8 Å²	116.8	70%	0.699	65%	0.647	S	S	*	*	S	Bend	trans	-89.4	3.3	-177.7	47.4	0	0	0	0	115.5
76	T	28.5	Very low	30.2	Very low	109 Å²	109	116.7 Å²	116.7	67%	0.669	65%	0.648	S	S	*	*	S	Bend	trans	-143.1	140.6	-179.1	47.3	0	0	0	0	113.4
77	T	29.4	Very low	30.4	Very low	145 Å²	145	118 Å²	118	89%	0.89	65%	0.649	S	S	*	*			trans	82.1	143.6	179.2	71.7	0	0	0	0	116.2
78	T	27.4	Very low	30.6	Very low	121 Å²	121	116.9 Å²	116.9	74%	0.742	64%	0.641	S	S	*	*			trans	-124.5	156.2	-151.9	47.4	0	0	0	0	111.9
79	N	28.4	Very low	30.7	Very low	146 Å²	146	118.1 Å²	118.1	78%	0.781	64%	0.638	S	S	*	*			trans	72.9	89.1	169.8	-51.4	-17.8	0	0	0	115.4
80	D	28.4	Very low	30.8	Very low	163 Å²	163	116.9 Å²	116.9	87%	0.872	63%	0.631	S	S	*	*				-161	153.4	117.5	-104.5	-28.3	0	0	0	112.2	N82	D80-N82 PolarHBondContact O-N 3.01Å
81	N	27.6	Very low	31	Very low	149 Å²	149	112 Å²	112	80%	0.797	62%	0.615	S	S	*	*			trans	-80.9	113.1	-171.8	-65.1	-60.4	0	0	0	112.5
82	N	27.3	Very low	31.1	Very low	169 Å²	169	110.6 Å²	110.6	90%	0.904	60%	0.6	S	S	*	*				175.3	133.6	121	-89.7	-35.9	0	0	0	112.3	D80	D80-N82 PolarHBondContact O-N 3.01Å
83	S	27.9	Very low	31.5	Very low	92 Å²	92	104.7 Å²	104.7	64%	0.643	58%	0.576	S	S	*	*			trans	-105.4	139.6	-171.6	52.8	0	0	0	0	113.7
84	S	30.1	Very low	31.5	Very low	55 Å²	55	102.3 Å²	102.3	39%	0.385	57%	0.566	S	S	.	*			trans	-178.4	123.8	133.6	32	0	0	0	0	111.1
85	N	31.2	Very low	31.6	Very low	105 Å²	105	105 Å²	105	56%	0.561	58%	0.58	S	S	*	*			trans	-77.5	136.1	175.4	-66.4	-0.3	0	0	0	109.7	W70	W70-N85 HydrophobicContact CH2-CB 4.44Å; W70-N85 WeakPolarHBondContact CH2-OD1 3.22Å; W70-N85 HydrophobicContact CZ3-CB 4.44Å
86	I	33.6	Very low	31.9	Very low	108 Å²	108	102.3 Å²	102.3	55%	0.554	57%	0.565	S	S	*	*			trans	-106.8	102.3	179.3	-57.6	172.7	0	0	0	108.9	Q88	I86-Q88 HydrophobicContact CG2-CG 3.98Å
87	E	37	Very low	32.3	Very low	112 Å²	112	104.5 Å²	104.5	52%	0.523	57%	0.572	S	S	.	*			trans	-86.6	125	167.1	-70.1	-165.4	-178.9	0	0	110.4	Y89	E87-Y89 HydrophobicContact CB-CE2 4.09Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.38Å; E87-Y89 PolarHBondContact OE2-OH 3.18Å
88	Q	35	Very low	32.8	Very low	94 Å²	94	100.2 Å²	100.2	44%	0.439	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.7	178.5	-59.9	-173.3	10.2	0	0	110.5	I86	I86-Q88 HydrophobicContact CG2-CG 3.98Å
89	Y	36.4	Very low	33.5	Very low	96 Å²	96	98 Å²	98	38%	0.376	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.6	173.1	-72.7	-92	0	0	0	110.3	E87	E87-Y89 HydrophobicContact CB-CE2 4.09Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.38Å; E87-Y89 PolarHBondContact OE2-OH 3.18Å
90	I	35.2	Very low	34.2	Very low	75 Å²	75	96.1 Å²	96.1	39%	0.385	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.9	177.4	-60	169.4	0	0	0	108	F35 T59 P92	F35-I90 HydrophobicContact CD2-CG1 3.94Å; F35-I90 HydrophobicContact CE2-CG1 4.32Å; T59-I90 HydrophobicContact CG2-CD1 4.07Å; I90-P92 WeakPolarHBondContact O-CD 3.31Å
91	I	35.9	Very low	35	Very low	37 Å²	37	93.8 Å²	93.8	19%	0.19	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	96.7	-179.3	-53.8	-178.8	0	0	0	109.5	F6 I10 L34 I93	F6-I91 HydrophobicContact CE1-CG2 4.28Å; F6-I91 HydrophobicContact CZ-CG2 4.15Å; I10-I91 HydrophobicContact CD1-CG2 4.22Å; L34-I91 HydrophobicContact CD1-CD1 3.8Å; I91-I93 PolarHBondContact O-N 3.18Å
92	P	33.1	Very low	35.8	Very low	36 Å²	36	89 Å²	89	23%	0.234	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.2	174.5	29	-31.1	0	0	0	109.9	I56 I90	I56-P92 HydrophobicContact CD1-CB 4Å; I56-P92 HydrophobicContact CD1-CG 3.73Å; I56-P92 HydrophobicContact CG1-CG 4.23Å; I90-P92 WeakPolarHBondContact O-CD 3.31Å
93	I	38.4	Very low	36.7	Very low	43 Å²	43	83.7 Å²	83.7	22%	0.221	45%	0.452	C	S	.	.			trans	-93.8	109.7	170.1	-56.9	-175.4	0	0	0	107.9	I36 I91 C96 M106	I36-I93 HydrophobicContact CG1-CD1 4.44Å; I36-I93 HydrophobicContact CG2-CD1 4.09Å; I91-I93 PolarHBondContact O-N 3.18Å; I93-C96 HydrophobicContact CG2-CB 4.18Å; I93-M106 HydrophobicContact CD1-CE 4.1Å; I93-M106 HydrophobicContact CD1-SD 4.34Å
94	T	31.3	Very low	37.7	Very low	75 Å²	75	83.8 Å²	83.8	46%	0.46	44%	0.444	S	S	.	.			trans	-100.6	147.7	171.8	42.3	0	0	0	0	111.2	Y52 C96	Y52-T94 HydrophobicContact CD1-CG2 4.48Å; T94-C96 PolarHBondContact O-N 3.16Å
95	D	32.9	Very low	38.6	Very low	160 Å²	160	85.7 Å²	85.7	86%	0.856	45%	0.45	S	S	*	.	S	Bend	trans	63.2	24.7	166.3	-50.2	-17.9	0	0	0	118.6
96	C	34.8	Very low	39.3	Very low	58 Å²	58	84.1 Å²	84.1	39%	0.392	44%	0.44	S	S	.	.			trans	-107.6	107.7	175.1	-72.1	0	0	0	0	113.3	I93 T94 L98	I93-C96 HydrophobicContact CG2-CB 4.18Å; T94-C96 PolarHBondContact O-N 3.16Å; C96-L98 PolarHBondContact O-N 3.25Å
97	I	36.3	Very low	40	Very low	156 Å²	156	82.8 Å²	82.8	80%	0.8	43%	0.434	S	S	*	.			trans	-61.4	118.7	163.2	-61	172.6	0	0	0	108.2	T99	I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 3.16Å
98	L	39.5	Very low	40.5	Very low	55 Å²	55	80.6 Å²	80.6	29%	0.288	43%	0.428	S	S	.	.			trans	-72.9	85	179.5	-101.7	157.1	0	0	0	111.4	I38 C96 F103	I38-L98 HydrophobicContact CD1-CD1 3.4Å; I38-L98 HydrophobicContact CG1-CD1 3.95Å; I38-L98 HydrophobicContact CG2-CD1 4.33Å; C96-L98 PolarHBondContact O-N 3.25Å; L98-F103 HydrophobicContact CD2-CB 4.01Å; L98-F103 HydrophobicContact CD2-CD2 4.42Å
99	T	43.2	Very low	41.1	Very low	73 Å²	73	79.7 Å²	79.7	45%	0.448	43%	0.425	S	S	.	.			trans	-67.6	155.2	161.5	68.7	0	0	0	0	110.6	I97 N101 T102 F103	I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 3.16Å; T99-N101 PolarHBondContact O-N 2.84Å; T99-N101 VanDerWaalsContact O-N 3.13Å; T99-T102 WeakPolarHBondContact CA-OG1 3.03Å; T99-T102 PolarHBondContact N-OG1 3.44Å; T99-T102 PolarHBondContact O-N 3.25Å; T99-T102 PolarHBondContact O-OG1 3.43Å; T99-T102 PolarHBondContact OG1-N 2.91Å; T99-T102 PolarHBondContact OG1-OG1 2.86Å; T99-F103 PolarHBondContact O-N 3.4Å
100	N	43.2	Very low	41.6	Very low	107 Å²	107	78 Å²	78	57%	0.572	42%	0.419	S	S	*	.	H	α-helix	trans	-50.9	-37.8	172.7	-82.1	-14.3	0	0	0	112.2	F103 I104	N100-F103 PolarHBondContact O-N 2.91Å; N100-I104 WeakPolarHBondContact O-CG1 3.38Å; N100-I104 PolarHBondContact O-N 2.78Å
101	N	44.7	Very low	42.2	Very low	115 Å²	115	79.7 Å²	79.7	62%	0.615	42%	0.423	S	S	*	.	H	α-helix	trans	-67.1	-39.2	178.9	-70.3	-10	0	0	0	112.9	T99 F103 I104 N105	T99-N101 PolarHBondContact O-N 2.84Å; T99-N101 VanDerWaalsContact O-N 3.13Å; N101-F103 VanDerWaalsContact C-N 3.34Å; N101-I104 PolarHBondContact O-N 3.34Å; N101-N105 WeakPolarHBondContact O-CB 3.36Å; N101-N105 PolarHBondContact O-N 3.38Å; N101-N105 PolarHBondContact O-ND2 2.93Å
102	T	45.5	Very low	42.7	Very low	49 Å²	49	81.9 Å²	81.9	30%	0.301	43%	0.433	S	S	.	.	H	α-helix	trans	-65.2	-35.7	174.1	29.9	0	0	0	0	112.6	T99 M106	T99-T102 WeakPolarHBondContact CA-OG1 3.03Å; T99-T102 PolarHBondContact N-OG1 3.44Å; T99-T102 PolarHBondContact O-N 3.25Å; T99-T102 PolarHBondContact O-OG1 3.43Å; T99-T102 PolarHBondContact OG1-N 2.91Å; T99-T102 PolarHBondContact OG1-OG1 2.86Å; T102-M106 WeakPolarHBondContact O-CG 3.44Å; T102-M106 PolarHBondContact O-N 3.38Å; T102-M106 VanDerWaalsContact O-N 3.11Å
103	F	45.5	Very low	43.3	Very low	57 Å²	57	83 Å²	83	25%	0.25	44%	0.436	C	S	.	.	H	α-helix	trans	-69.4	-44.3	175	-173.2	-109.2	0	0	0	112.1	L98 T99 N100 N101 N105 M106 L107 L146	L98-F103 HydrophobicContact CD2-CB 4.01Å; L98-F103 HydrophobicContact CD2-CD2 4.42Å; T99-F103 PolarHBondContact O-N 3.4Å; N100-F103 PolarHBondContact O-N 2.91Å; N101-F103 VanDerWaalsContact C-N 3.34Å; F103-N105 PolarHBondContact O-N 3.02Å; F103-M106 PolarHBondContact O-N 3.5Å; F103-L107 HydrophobicContact CD1-CD1 3.85Å; F103-L107 HydrophobicContact CE1-CD1 3.54Å; F103-L107 HydrophobicContact CZ-CD1 4.07Å; F103-L107 PolarHBondContact O-N 2.83Å; F103-L146 HydrophobicContact CD1-CD1 4.33Å; F103-L146 HydrophobicContact CE1-CD1 4.34Å
104	I	48.7	Very low	43.6	Very low	93 Å²	93	83.3 Å²	83.3	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-40.4	175.2	-69.9	170	0	0	0	111.4	N100 N101 M106 L107 T108	N100-I104 WeakPolarHBondContact O-CG1 3.38Å; N100-I104 PolarHBondContact O-N 2.78Å; N101-I104 PolarHBondContact O-N 3.34Å; I104-M106 PolarHBondContact O-N 3.22Å; I104-L107 PolarHBondContact O-N 2.86Å; I104-T108 WeakPolarHBondContact O-CB 3.27Å; I104-T108 PolarHBondContact O-N 2.91Å; I104-T108 PolarHBondContact O-OG1 2.95Å
105	N	48.5	Very low	44.4	Very low	96 Å²	96	85.3 Å²	85.3	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-39.2	176.1	-74.7	-15.9	0	0	0	112.1	N101 F103 T108 I109	N101-N105 WeakPolarHBondContact O-CB 3.36Å; N101-N105 PolarHBondContact O-N 3.38Å; N101-N105 PolarHBondContact O-ND2 2.93Å; F103-N105 PolarHBondContact O-N 3.02Å; N105-T108 WeakPolarHBondContact O-CB 3.36Å; N105-T108 PolarHBondContact O-N 2.97Å; N105-I109 WeakPolarHBondContact O-CG1 3.35Å; N105-I109 PolarHBondContact O-N 3.42Å
106	M	47.1	Very low	44.9	Very low	72 Å²	72	84 Å²	84	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-42.3	173.9	-69.4	-104	-79.9	0	0	112.1	I36 I93 T102 F103 I104 T108 I109 Y110	I36-M106 HydrophobicContact CD1-CE 3.71Å; I36-M106 HydrophobicContact CG1-CE 4.21Å; I36-M106 HydrophobicContact CG2-CE 3.91Å; I93-M106 HydrophobicContact CD1-CE 4.1Å; I93-M106 HydrophobicContact CD1-SD 4.34Å; T102-M106 WeakPolarHBondContact O-CG 3.44Å; T102-M106 PolarHBondContact O-N 3.38Å; T102-M106 VanDerWaalsContact O-N 3.11Å; F103-M106 PolarHBondContact O-N 3.5Å; I104-M106 PolarHBondContact O-N 3.22Å; M106-T108 VanDerWaalsContact C-N 3.28Å; M106-T108 PolarHBondContact O-N 2.7Å; M106-I109 PolarHBondContact O-N 3.25Å; M106-Y110 PolarHBondContact O-N 2.98Å
107	L	47	Very low	45.2	Very low	79 Å²	79	83.1 Å²	83.1	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-31.9	172.2	-80.2	163	0	0	0	112.8	F103 I104 K111	F103-L107 HydrophobicContact CD1-CD1 3.85Å; F103-L107 HydrophobicContact CE1-CD1 3.54Å; F103-L107 HydrophobicContact CZ-CD1 4.07Å; F103-L107 PolarHBondContact O-N 2.83Å; I104-L107 PolarHBondContact O-N 2.86Å; L107-K111 WeakPolarHBondContact O-CB 3.38Å; L107-K111 PolarHBondContact O-N 3.47Å
108	T	48.5	Very low	45.5	Very low	66 Å²	66	83 Å²	83	41%	0.405	42%	0.415	S	S	.	.	H	α-helix	trans	-72	-40.1	176.9	-52.2	0	0	0	0	111.3	I104 N105 M106 K111 Q112	I104-T108 WeakPolarHBondContact O-CB 3.27Å; I104-T108 PolarHBondContact O-N 2.91Å; I104-T108 PolarHBondContact O-OG1 2.95Å; N105-T108 WeakPolarHBondContact O-CB 3.36Å; N105-T108 PolarHBondContact O-N 2.97Å; M106-T108 VanDerWaalsContact C-N 3.28Å; M106-T108 PolarHBondContact O-N 2.7Å; T108-K111 PolarHBondContact O-N 3.43Å; T108-Q112 PolarHBondContact O-N 3.13Å
109	I	46.9	Very low	45.6	Very low	75 Å²	75	86.5 Å²	86.5	39%	0.385	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-44.4	171.9	-68.4	164.1	0	0	0	110.5	N105 M106 K111 Q112 I113	N105-I109 WeakPolarHBondContact O-CG1 3.35Å; N105-I109 PolarHBondContact O-N 3.42Å; M106-I109 PolarHBondContact O-N 3.25Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.19Å; I109-Q112 PolarHBondContact O-N 2.96Å; I109-I113 HydrophobicContact CG2-CD1 3.85Å; I109-I113 HydrophobicContact CG2-CG1 4.49Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 3.21Å
110	Y	46.8	Very low	45.4	Very low	60 Å²	60	86.7 Å²	86.7	24%	0.235	43%	0.431	C	S	.	.	H	α-helix	trans	-56.1	-44.7	173	175.1	-93.3	0	0	0	111.9	M106 Q112 I113 Q114 I130 M160	M106-Y110 PolarHBondContact O-N 2.98Å; Y110-Q112 PolarHBondContact O-N 2.89Å; Y110-I113 PolarHBondContact O-N 3.14Å; Y110-Q114 WeakPolarHBondContact O-CB 3.3Å; Y110-Q114 PolarHBondContact O-N 2.73Å; Y110-I130 HydrophobicContact CD2-CD1 4.05Å; Y110-I130 HydrophobicContact CE2-CD1 4.09Å; Y110-M160 VanDerWaalsContact OH-CE 3.23Å; Y110-M160 WeakPolarHBondContact OH-CE 3.36Å
111	K	47.5	Very low	45	Very low	111 Å²	111	88 Å²	88	48%	0.483	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-36.3	177.5	-158.8	175.7	-172.7	177.3	0	112.9	L107 T108 I109 Q114 Q115	L107-K111 WeakPolarHBondContact O-CB 3.38Å; L107-K111 PolarHBondContact O-N 3.47Å; T108-K111 PolarHBondContact O-N 3.43Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.19Å; K111-Q114 PolarHBondContact O-N 3.3Å; K111-Q115 WeakPolarHBondContact O-CG 3.3Å; K111-Q115 PolarHBondContact O-N 2.71Å
112	Q	47.9	Very low	44.5	Very low	84 Å²	84	90.3 Å²	90.3	39%	0.393	45%	0.45	S	S	.	.	H	α-helix	trans	-68.2	-42.4	173.3	-74	179.2	-27	0	0	112.1	T108 I109 Y110 Q114 Q115 Y116	T108-Q112 PolarHBondContact O-N 3.13Å; I109-Q112 PolarHBondContact O-N 2.96Å; Y110-Q112 PolarHBondContact O-N 2.89Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-Q114 PolarHBondContact O-N 3.4Å; Q112-Q115 PolarHBondContact O-N 2.81Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.38Å; Q112-Y116 PolarHBondContact O-N 2.66Å
113	I	45.2	Very low	44.1	Very low	58 Å²	58	94.9 Å²	94.9	30%	0.297	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-41	175	-67.6	166.1	0	0	0	110.5	I109 Y110 Q115 Y116 S117 Y128	I109-I113 HydrophobicContact CG2-CD1 3.85Å; I109-I113 HydrophobicContact CG2-CG1 4.49Å; I109-I113 WeakPolarHBondContact O-CG1 3.44Å; I109-I113 PolarHBondContact O-N 3.21Å; Y110-I113 PolarHBondContact O-N 3.14Å; I113-Q115 PolarHBondContact O-N 3.39Å; I113-Y116 PolarHBondContact O-N 3.13Å; I113-S117 PolarHBondContact O-N 3.24Å; I113-Y128 HydrophobicContact CG2-CE1 4.27Å
114	Q	45.8	Very low	43.7	Very low	50 Å²	50	95.4 Å²	95.4	23%	0.234	48%	0.475	C	S	.	.	H	α-helix	trans	-65.9	-33.7	175.5	-166.8	-178.6	24.8	0	0	113.1	Y110 K111 Q112 S117	Y110-Q114 WeakPolarHBondContact O-CB 3.3Å; Y110-Q114 PolarHBondContact O-N 2.73Å; K111-Q114 PolarHBondContact O-N 3.3Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-Q114 PolarHBondContact O-N 3.4Å; Q114-S117 PolarHBondContact O-OG 2.96Å
115	Q	47.5	Very low	43.2	Very low	117 Å²	117	97.2 Å²	97.2	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-69.7	-36.6	172	-76.4	178.9	-39.9	0	0	111.9	K111 Q112 I113 Q118	K111-Q115 WeakPolarHBondContact O-CG 3.3Å; K111-Q115 PolarHBondContact O-N 2.71Å; Q112-Q115 PolarHBondContact O-N 2.81Å; I113-Q115 PolarHBondContact O-N 3.39Å; Q115-Q118 PolarHBondContact O-N 3.42Å
116	Y	42.2	Very low	42.6	Very low	134 Å²	134	95.9 Å²	95.9	53%	0.525	47%	0.471	S	S	.	.	H	α-helix	trans	-70	-31.9	174.1	-90.6	-80	0	0	0	113.1	Q112 I113 Q118 I119	Q112-Y116 WeakPolarHBondContact O-CD2 3.38Å; Q112-Y116 PolarHBondContact O-N 2.66Å; I113-Y116 PolarHBondContact O-N 3.13Å; Y116-Q118 PolarHBondContact O-N 3Å; Y116-I119 HydrophobicContact CD1-CD1 4.08Å; Y116-I119 HydrophobicContact CE1-CD1 4.39Å; Y116-I119 WeakPolarHBondContact O-CB 3.38Å; Y116-I119 PolarHBondContact O-N 3.14Å; Y116-I119 VanDerWaalsContact O-N 3.16Å
117	S	42.4	Very low	42.1	Very low	38 Å²	38	95.8 Å²	95.8	27%	0.266	47%	0.467	S	S	.	.	H	α-helix	trans	-68.3	-21.4	175.7	70	0	0	0	0	113.4	I113 Q114 I119	I113-S117 PolarHBondContact O-N 3.24Å; Q114-S117 PolarHBondContact O-OG 2.96Å; S117-I119 VanDerWaalsContact C-N 3.27Å; S117-I119 PolarHBondContact O-N 3.27Å
118	Q	41.9	Very low	41.7	Very low	155 Å²	155	94.4 Å²	94.4	72%	0.724	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.3	173.5	-70.3	-179	-28.9	0	0	113.8	Q115 Y116	Q115-Q118 PolarHBondContact O-N 3.42Å; Y116-Q118 PolarHBondContact O-N 3Å
119	I	41.7	Very low	41.1	Very low	128 Å²	128	93.9 Å²	93.9	66%	0.656	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-12.9	177.6	-57.4	173.7	0	0	0	111	Y116 S117	Y116-I119 HydrophobicContact CD1-CD1 4.08Å; Y116-I119 HydrophobicContact CE1-CD1 4.39Å; Y116-I119 WeakPolarHBondContact O-CB 3.38Å; Y116-I119 PolarHBondContact O-N 3.14Å; Y116-I119 VanDerWaalsContact O-N 3.16Å; S117-I119 VanDerWaalsContact C-N 3.27Å; S117-I119 PolarHBondContact O-N 3.27Å
120	I	39.2	Very low	40.6	Very low	77 Å²	77	93.5 Å²	93.5	40%	0.395	45%	0.45	S	S	.	.	S	Bend	trans	-91.8	128	177.2	-58.3	174	0	0	0	108.2	M126	I120-M126 HydrophobicContact CD1-CE 4.39Å
121	N	33.9	Very low	40	Very low	133 Å²	133	94.2 Å²	94.2	71%	0.711	46%	0.456	S	S	*	.			trans	-50.1	147.1	-169	-80	-31.8	0	0	0	115.1	D123 H124	N121-D123 PolarHBondContact O-N 2.73Å; N121-H124 PolarHBondContact O-N 3.2Å
122	N	35.2	Very low	39.5	Very low	164 Å²	164	92.3 Å²	92.3	88%	0.877	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-4.7	-161.6	-71.4	-26.5	0	0	0	120
123	D	37.2	Very low	38.9	Very low	145 Å²	145	88.7 Å²	88.7	78%	0.775	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-6	-173.6	-71	-46.1	0	0	0	114.8	N121	N121-D123 PolarHBondContact O-N 2.73Å
124	H	37.8	Very low	38.5	Very low	68 Å²	68	88.7 Å²	88.7	32%	0.315	44%	0.44	S	S	.	.			trans	-98.1	105.4	-172.4	-60.1	-56.5	0	0	0	113.6	N28 N121 M126	N28-H124 PolarHBondContact O-ND1 3.33Å; N121-H124 PolarHBondContact O-N 3.2Å; H124-M126 PolarHBondContact O-N 2.95Å
125	K	36.4	Very low	38.1	Very low	131 Å²	131	88.9 Å²	88.9	57%	0.57	44%	0.439	S	S	*	.			trans	-72.2	110.2	172.8	-67.1	-179.2	-179.4	175.8	0	111.3	Y127	K125-Y127 HydrophobicContact CB-CE2 3.94Å; K125-Y127 WeakPolarHBondContact CD-OH 3.25Å
126	M	36.3	Very low	37.8	Very low	68 Å²	68	88.5 Å²	88.5	34%	0.335	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.8	162	-80.1	-154.8	175.4	0	0	111.2	Y30 I120 H124 Y128	Y30-M126 HydrophobicContact CG-CE 4.46Å; I120-M126 HydrophobicContact CD1-CE 4.39Å; H124-M126 PolarHBondContact O-N 2.95Å; M126-Y128 HydrophobicContact CB-CE1 4.49Å; M126-Y128 HydrophobicContact CB-CE2 4Å; M126-Y128 HydrophobicContact SD-CE1 4.19Å; M126-Y128 PolarHBondContact SD-OH 2.75Å
127	Y	37.1	Very low	37.6	Very low	70 Å²	70	85.3 Å²	85.3	28%	0.275	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.2	174.6	-59.6	-90.5	0	0	0	110	Y31 L32 K125	Y31-Y127 AromaticContact CD1-CD2 3.63Å; Y31-Y127 HydrophobicContact CD1-CD2 3.63Å; Y31-Y127 HydrophobicContact CD1-CE2 4.42Å; Y31-Y127 HydrophobicContact CD1-CG 4.2Å; Y31-Y127 AromaticContact CE1-CD2 3.29Å; Y31-Y127 HydrophobicContact CE1-CD2 3.29Å; Y31-Y127 AromaticContact CE1-CE2 3.66Å; Y31-Y127 HydrophobicContact CE1-CE2 3.66Å; Y31-Y127 HydrophobicContact CE1-CG 4.03Å; L32-Y127 PolarHBondContact N-O 2.74Å; L32-Y127 VanDerWaalsContact O-O 3.08Å; K125-Y127 HydrophobicContact CB-CE2 3.94Å; K125-Y127 WeakPolarHBondContact CD-OH 3.25Å
128	Y	38.7	Very low	37.6	Very low	50 Å²	50	88.4 Å²	88.4	20%	0.196	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.8	-178.5	-53.5	-79.9	0	0	0	110.9	L32 I113 M126	L32-Y128 HydrophobicContact CB-CD1 4.39Å; L32-Y128 HydrophobicContact CB-CE1 4.43Å; L32-Y128 HydrophobicContact CD2-CD1 4.17Å; L32-Y128 HydrophobicContact CD2-CE1 3.93Å; I113-Y128 HydrophobicContact CG2-CE1 4.27Å; M126-Y128 HydrophobicContact CB-CE1 4.49Å; M126-Y128 HydrophobicContact CB-CE2 4Å; M126-Y128 HydrophobicContact SD-CE1 4.19Å; M126-Y128 PolarHBondContact SD-OH 2.75Å
129	N	36.1	Very low	37.6	Very low	55 Å²	55	84 Å²	84	29%	0.294	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.8	171.1	-75.3	-10.6	0	0	0	109.9	R33 L34	R33-N129 HydrophobicContact CG-CB 4.49Å; L34-N129 PolarHBondContact N-O 3.06Å
130	I	36	Very low	37.6	Very low	68 Å²	68	79.2 Å²	79.2	35%	0.349	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.8	170.7	-62.6	173.4	0	0	0	107.6	I36 Y110 I132	I36-I130 HydrophobicContact CD1-CG2 4.27Å; Y110-I130 HydrophobicContact CD2-CD1 4.05Å; Y110-I130 HydrophobicContact CE2-CD1 4.09Å; I130-I132 HydrophobicContact CG2-CD1 4.41Å; I130-I132 HydrophobicContact CG2-CG1 4.01Å
131	M	33.4	Very low	37.9	Very low	75 Å²	75	80.1 Å²	80.1	37%	0.369	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.5	166	-84.4	-174.4	65.5	0	0	110.2	F35	F35-M131 HydrophobicContact CD1-SD 4.16Å; F35-M131 HydrophobicContact CE1-SD 4.06Å
132	I	38.5	Very low	38.4	Very low	70 Å²	70	78.1 Å²	78.1	36%	0.359	40%	0.396	S	S	.	.			trans	-133.5	130.3	178.6	-42.2	-177.2	0	0	0	108.2	I38 I130 Y135	I38-I132 HydrophobicContact CD1-CG2 3.64Å; I130-I132 HydrophobicContact CG2-CD1 4.41Å; I130-I132 HydrophobicContact CG2-CG1 4.01Å; I132-Y135 HydrophobicContact CB-CE2 4.42Å; I132-Y135 HydrophobicContact CG2-CE2 3.44Å; I132-Y135 VanDerWaalsContact CG2-CE2 3.44Å; I132-Y135 WeakPolarHBondContact CG2-OH 3.33Å
133	G	35.5	Very low	38.9	Very low	9 Å²	9	72.2 Å²	72.2	9%	0.093	36%	0.364	C	S	.	.			trans	-70.8	172.2	-173.9	0	0	0	0	0	115.2	Y135	G133-Y135 WeakPolarHBondContact O-CD2 3.46Å; G133-Y135 WeakPolarHBondContact O-CE2 3.37Å
134	P	35.1	Very low	39.3	Very low	57 Å²	57	69.7 Å²	69.7	37%	0.37	35%	0.35	S	S	.	.			trans	-70	141	-172.2	28.9	-34.3	0	0	0	112.4	N40	N40-P134 HydrophobicContact CB-CG 4.34Å
135	Y	37.2	Very low	39.7	Very low	54 Å²	54	72.3 Å²	72.3	21%	0.212	36%	0.363	C	S	.	.			trans	-121.9	148.4	-171.3	-74.7	-72.5	0	0	0	113.6	I38 I132 G133 L139 I143	I38-Y135 VanDerWaalsContact CD1-OH 3.27Å; I38-Y135 WeakPolarHBondContact CD1-OH 3.28Å; I132-Y135 HydrophobicContact CB-CE2 4.42Å; I132-Y135 HydrophobicContact CG2-CE2 3.44Å; I132-Y135 VanDerWaalsContact CG2-CE2 3.44Å; I132-Y135 WeakPolarHBondContact CG2-OH 3.33Å; G133-Y135 WeakPolarHBondContact O-CD2 3.46Å; G133-Y135 WeakPolarHBondContact O-CE2 3.37Å; Y135-L139 HydrophobicContact CD1-CB 3.67Å; Y135-L139 HydrophobicContact CD1-CD1 4.01Å; Y135-L139 HydrophobicContact CD1-CD2 4.35Å; Y135-L139 HydrophobicContact CD1-CG 4.22Å; Y135-L139 HydrophobicContact CE1-CB 4.37Å; Y135-L139 HydrophobicContact CE1-CD2 4.31Å; Y135-L139 HydrophobicContact CG-CB 4.13Å; Y135-I143 HydrophobicContact CD2-CD1 3.95Å; Y135-I143 HydrophobicContact CE1-CD1 4.25Å; Y135-I143 HydrophobicContact CE2-CD1 3.47Å; Y135-I143 VanDerWaalsContact CE2-CD1 3.47Å; Y135-I143 HydrophobicContact CG-CD1 4.49Å
136	H	41.2	Very low	40.1	Very low	109 Å²	109	68.3 Å²	68.3	51%	0.505	35%	0.347	S	S	.	.			trans	-56.9	141.1	159.7	-167.7	-99	0	0	0	110.7	I138 L139 C140	H136-I138 PolarHBondContact O-N 3.19Å; H136-L139 PolarHBondContact O-N 3.32Å; H136-C140 PolarHBondContact O-N 3.38Å
137	P	39	Very low	40.3	Very low	67 Å²	67	68.7 Å²	68.7	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-26	-173.6	18.3	-32.1	0	0	0	114.8	C140 N141	P137-C140 PolarHBondContact O-N 3.07Å; P137-N141 PolarHBondContact O-N 3.02Å
138	I	41.2	Very low	40.4	Very low	103 Å²	103	73.2 Å²	73.2	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-44.3	173.6	-61.9	177.2	0	0	0	111.7	H136 C140 N141 Q142	H136-I138 PolarHBondContact O-N 3.19Å; I138-C140 VanDerWaalsContact C-N 3.35Å; I138-N141 PolarHBondContact O-N 3.05Å; I138-Q142 WeakPolarHBondContact O-CG 3.45Å; I138-Q142 PolarHBondContact O-N 3.3Å
139	L	42.5	Very low	40.5	Very low	62 Å²	62	75 Å²	75	33%	0.325	39%	0.388	S	S	.	.	H	α-helix	trans	-68.3	-35	179.3	-90.7	149.5	0	0	0	111.6	Y135 H136 N141 Q142 I143	Y135-L139 HydrophobicContact CD1-CB 3.67Å; Y135-L139 HydrophobicContact CD1-CD1 4.01Å; Y135-L139 HydrophobicContact CD1-CD2 4.35Å; Y135-L139 HydrophobicContact CD1-CG 4.22Å; Y135-L139 HydrophobicContact CE1-CB 4.37Å; Y135-L139 HydrophobicContact CE1-CD2 4.31Å; Y135-L139 HydrophobicContact CG-CB 4.13Å; H136-L139 PolarHBondContact O-N 3.32Å; L139-N141 VanDerWaalsContact C-N 3.29Å; L139-N141 PolarHBondContact O-N 3.15Å; L139-Q142 PolarHBondContact O-N 3.37Å; L139-I143 VanDerWaalsContact O-CG1 3.31Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 2.86Å
140	C	42.8	Very low	40.5	Very low	29 Å²	29	77.6 Å²	77.6	20%	0.196	41%	0.407	C	S	.	.	H	α-helix	trans	-64.5	-35	173.8	-159.4	0	0	0	0	112.1	H136 P137 I138 N144 C171	H136-C140 PolarHBondContact O-N 3.38Å; P137-C140 PolarHBondContact O-N 3.07Å; I138-C140 VanDerWaalsContact C-N 3.35Å; C140-N144 PolarHBondContact O-N 2.9Å; C140-N144 VanDerWaalsContact O-N 3.13Å; C140-C171 HydrophobicContact CB-CB 4.47Å
141	N	44.1	Very low	40.6	Very low	95 Å²	95	84.5 Å²	84.5	51%	0.508	43%	0.43	S	S	.	.	H	α-helix	trans	-72.1	-38.4	175	-152.3	12.5	0	0	0	111.7	P137 I138 L139 N144 Q145	P137-N141 PolarHBondContact O-N 3.02Å; I138-N141 PolarHBondContact O-N 3.05Å; L139-N141 VanDerWaalsContact C-N 3.29Å; L139-N141 PolarHBondContact O-N 3.15Å; N141-N144 PolarHBondContact O-N 3.25Å; N141-Q145 WeakPolarHBondContact O-CG 3.42Å; N141-Q145 PolarHBondContact O-N 3.22Å
142	Q	45.4	Very low	40.8	Very low	91 Å²	91	83.8 Å²	83.8	43%	0.425	43%	0.428	S	S	.	.	H	α-helix	trans	-64	-40.8	173.1	-73	174	-25.2	0	0	112.6	I138 L139 Q145 L146	I138-Q142 WeakPolarHBondContact O-CG 3.45Å; I138-Q142 PolarHBondContact O-N 3.3Å; L139-Q142 PolarHBondContact O-N 3.37Å; Q142-Q145 PolarHBondContact O-N 3.26Å; Q142-L146 WeakPolarHBondContact O-CB 3.38Å; Q142-L146 VanDerWaalsContact O-CG 3.31Å; Q142-L146 WeakPolarHBondContact O-CG 3.37Å; Q142-L146 PolarHBondContact O-N 3.21Å
143	I	45.2	Very low	40.6	Very low	40 Å²	40	85.3 Å²	85.3	21%	0.205	44%	0.436	C	S	.	.	H	α-helix	trans	-63.1	-43.8	174.7	-69.9	164.9	0	0	0	110.5	Y135 L139 Q145 L146 M147	Y135-I143 HydrophobicContact CD2-CD1 3.95Å; Y135-I143 HydrophobicContact CE1-CD1 4.25Å; Y135-I143 HydrophobicContact CE2-CD1 3.47Å; Y135-I143 VanDerWaalsContact CE2-CD1 3.47Å; Y135-I143 HydrophobicContact CG-CD1 4.49Å; L139-I143 VanDerWaalsContact O-CG1 3.31Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 2.86Å; I143-Q145 PolarHBondContact O-N 3.28Å; I143-L146 PolarHBondContact O-N 3.38Å; I143-M147 HydrophobicContact CG2-CG 4.5Å; I143-M147 WeakPolarHBondContact O-CB 3.45Å; I143-M147 WeakPolarHBondContact O-CG 3.44Å; I143-M147 PolarHBondContact O-N 3.08Å
144	N	45.9	Very low	40.6	Very low	93 Å²	93	87.5 Å²	87.5	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-61	-41.5	173.3	-86.8	-17	0	0	0	112.6	C140 N141 M147 M148	C140-N144 PolarHBondContact O-N 2.9Å; C140-N144 VanDerWaalsContact O-N 3.13Å; N141-N144 PolarHBondContact O-N 3.25Å; N144-M147 PolarHBondContact O-N 2.78Å; N144-M148 VanDerWaalsContact O-CG 3.22Å; N144-M148 WeakPolarHBondContact O-CG 3.45Å; N144-M148 PolarHBondContact O-N 2.88Å
145	Q	46.4	Very low	40.6	Very low	123 Å²	123	90.5 Å²	90.5	58%	0.575	46%	0.457	S	S	*	.	H	α-helix	trans	-67.1	-40.4	176.7	-74.1	176.7	-6.9	0	0	112.5	N141 Q142 I143 M147 M148	N141-Q145 WeakPolarHBondContact O-CG 3.42Å; N141-Q145 PolarHBondContact O-N 3.22Å; Q142-Q145 PolarHBondContact O-N 3.26Å; I143-Q145 PolarHBondContact O-N 3.28Å; Q145-M147 VanDerWaalsContact C-N 3.34Å; Q145-M147 PolarHBondContact O-N 2.83Å; Q145-M148 PolarHBondContact O-N 3.21Å
146	L	43.8	Very low	40.4	Very low	46 Å²	46	96 Å²	96	24%	0.241	48%	0.482	C	S	.	.	H	α-helix	trans	-63.2	-39	175.2	-77	164	0	0	0	111.8	F103 Q142 I143 M148 L149 I152	F103-L146 HydrophobicContact CD1-CD1 4.33Å; F103-L146 HydrophobicContact CE1-CD1 4.34Å; Q142-L146 WeakPolarHBondContact O-CB 3.38Å; Q142-L146 VanDerWaalsContact O-CG 3.31Å; Q142-L146 WeakPolarHBondContact O-CG 3.37Å; Q142-L146 PolarHBondContact O-N 3.21Å; I143-L146 PolarHBondContact O-N 3.38Å; L146-M148 PolarHBondContact O-N 3.03Å; L146-L149 HydrophobicContact CD2-CD1 3.93Å; L146-L149 WeakPolarHBondContact O-CB 3.26Å; L146-L149 PolarHBondContact O-N 2.62Å; L146-I152 VanDerWaalsContact O-CD1 3.32Å; L146-I152 WeakPolarHBondContact O-CD1 3.33Å
147	M	41.1	Very low	40	Very low	76 Å²	76	93.7 Å²	93.7	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-68.5	-17.1	176	-72.4	-72.4	-62.6	0	0	114	I143 N144 Q145 F155 Y165	I143-M147 HydrophobicContact CG2-CG 4.5Å; I143-M147 WeakPolarHBondContact O-CB 3.45Å; I143-M147 WeakPolarHBondContact O-CG 3.44Å; I143-M147 PolarHBondContact O-N 3.08Å; N144-M147 PolarHBondContact O-N 2.78Å; Q145-M147 VanDerWaalsContact C-N 3.34Å; Q145-M147 PolarHBondContact O-N 2.83Å; M147-F155 HydrophobicContact CE-CE2 4.1Å; M147-F155 HydrophobicContact CE-CZ 4.14Å; M147-F155 HydrophobicContact SD-CE2 4.21Å; M147-F155 HydrophobicContact SD-CZ 4.34Å; M147-Y165 WeakPolarHBondContact CE-OH 3.48Å
148	M	40.3	Very low	39.7	Very low	165 Å²	165	96.3 Å²	96.3	81%	0.813	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.3	177.8	-68.1	-77.5	-74.5	0	0	113.2	N144 Q145 L146	N144-M148 VanDerWaalsContact O-CG 3.22Å; N144-M148 WeakPolarHBondContact O-CG 3.45Å; N144-M148 PolarHBondContact O-N 2.88Å; Q145-M148 PolarHBondContact O-N 3.21Å; L146-M148 PolarHBondContact O-N 3.03Å
149	L	40.5	Very low	39.2	Very low	89 Å²	89	98.3 Å²	98.3	47%	0.466	51%	0.509	S	S	.	.			trans	-72	132.7	179.7	-72.7	171.8	0	0	0	111.8	L146 Y151	L146-L149 HydrophobicContact CD2-CD1 3.93Å; L146-L149 WeakPolarHBondContact O-CB 3.26Å; L146-L149 PolarHBondContact O-N 2.62Å; L149-Y151 PolarHBondContact O-N 3.07Å
150	P	36.2	Very low	38.6	Very low	109 Å²	109	99.7 Å²	99.7	71%	0.708	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-3	-174.3	28.1	-35.9	0	0	0	114.9
151	Y	37.1	Very low	37.8	Very low	212 Å²	212	104.2 Å²	104.2	83%	0.831	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	3.7	-176.4	-72.8	-81.8	0	0	0	114.7	L149 D153	L149-Y151 PolarHBondContact O-N 3.07Å; Y151-D153 PolarHBondContact O-N 2.93Å
152	I	36.9	Very low	37	Very low	61 Å²	61	102.3 Å²	102.3	31%	0.313	53%	0.534	S	S	.	.			trans	-98.8	63.7	-177.3	-41.3	179.8	0	0	0	111.8	L146 C154 F155	L146-I152 VanDerWaalsContact O-CD1 3.32Å; L146-I152 WeakPolarHBondContact O-CD1 3.33Å; I152-C154 HydrophobicContact CG2-CB 4.41Å; I152-C154 PolarHBondContact O-N 3.49Å; I152-C154 VanDerWaalsContact O-N 3.11Å; I152-F155 HydrophobicContact CB-CD2 4.31Å; I152-F155 HydrophobicContact CG2-CD2 3.55Å; I152-F155 HydrophobicContact CG2-CE2 3.6Å
153	D	36.3	Very low	36.2	Very low	101 Å²	101	102 Å²	102	54%	0.54	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-63.8	-11.2	174.6	-85.5	-44.6	0	0	0	114.3	Y151 F155 K156	Y151-D153 PolarHBondContact O-N 2.93Å; D153-F155 PolarHBondContact O-N 2.96Å; D153-F155 VanDerWaalsContact O-N 3.07Å; D153-K156 PolarHBondContact O-N 3.15Å; D153-K156 WeakPolarHBondContact OD1-CD 3.3Å; D153-K156 VanDerWaalsContact OD1-CE 3.3Å; D153-K156 WeakPolarHBondContact OD1-CE 3.36Å; D153-K156 IonicContact OD1-NZ 2.62Å; D153-K156 PolarHBondContact OD1-NZ 3.07Å
154	C	35.4	Very low	35.5	Very low	55 Å²	55	105 Å²	105	37%	0.372	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-60.3	-15.6	177.5	-89.7	0	0	0	0	114.7	I152	I152-C154 HydrophobicContact CG2-CB 4.41Å; I152-C154 PolarHBondContact O-N 3.49Å; I152-C154 VanDerWaalsContact O-N 3.11Å
155	F	33.9	Very low	34.7	Very low	120 Å²	120	107.4 Å²	107.4	53%	0.526	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-90.8	2.6	-179.9	-71	-64.3	0	0	0	115.1	M147 I152 D153 L163	M147-F155 HydrophobicContact CE-CE2 4.1Å; M147-F155 HydrophobicContact CE-CZ 4.14Å; M147-F155 HydrophobicContact SD-CE2 4.21Å; M147-F155 HydrophobicContact SD-CZ 4.34Å; I152-F155 HydrophobicContact CB-CD2 4.31Å; I152-F155 HydrophobicContact CG2-CD2 3.55Å; I152-F155 HydrophobicContact CG2-CE2 3.6Å; D153-F155 PolarHBondContact O-N 2.96Å; D153-F155 VanDerWaalsContact O-N 3.07Å; F155-L163 HydrophobicContact CE1-CD2 4.41Å
156	K	33.2	Very low	33.7	Very low	171 Å²	171	105.6 Å²	105.6	74%	0.743	54%	0.544	S	S	*	.			trans	-87.9	6.3	-178.4	-71.7	175.3	177.5	164.9	0	115.4	D153	D153-K156 PolarHBondContact O-N 3.15Å; D153-K156 WeakPolarHBondContact OD1-CD 3.3Å; D153-K156 VanDerWaalsContact OD1-CE 3.3Å; D153-K156 WeakPolarHBondContact OD1-CE 3.36Å; D153-K156 IonicContact OD1-NZ 2.62Å; D153-K156 PolarHBondContact OD1-NZ 3.07Å
157	S	32.7	Very low	33	Very low	59 Å²	59	109 Å²	109	41%	0.413	57%	0.567	S	S	.	*			trans	-89.4	131.2	-176	179.2	0	0	0	0	113.1	L159	S157-L159 PolarHBondContact O-N 2.92Å; S157-L159 VanDerWaalsContact O-N 3.1Å
158	S	33.1	Very low	32.2	Very low	122 Å²	122	108.3 Å²	108.3	85%	0.853	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	3.4	-178.1	52.2	0	0	0	0	115.7
159	L	30.5	Very low	31.5	Very low	145 Å²	145	107.1 Å²	107.1	76%	0.759	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	0.3	-175.2	-92.6	123.8	0	0	0	115.5	S157	S157-L159 PolarHBondContact O-N 2.92Å; S157-L159 VanDerWaalsContact O-N 3.1Å
160	M	29.3	Very low	31	Very low	91 Å²	91	110.9 Å²	110.9	45%	0.448	57%	0.57	S	S	.	*			trans	-100.6	83.8	-175.3	-78.8	-74.6	168.5	0	0	113	Y110	Y110-M160 VanDerWaalsContact OH-CE 3.23Å; Y110-M160 WeakPolarHBondContact OH-CE 3.36Å
161	T	27.1	Very low	30.6	Very low	125 Å²	125	108.6 Å²	108.6	77%	0.767	56%	0.556	S	S	*	*			trans	-88.9	-4.5	176.8	44.6	0	0	0	0	115.1
162	T	27.6	Very low	30.2	Very low	55 Å²	55	102.5 Å²	102.5	34%	0.337	54%	0.542	S	S	.	.			trans	-145	78.6	-176.7	16.4	0	0	0	0	112.8	I164	T162-I164 HydrophobicContact CG2-CD1 4.27Å; T162-I164 HydrophobicContact CG2-CG1 4.36Å
163	L	28.2	Very low	29.8	Very low	85 Å²	85	106 Å²	106	45%	0.445	56%	0.561	S	S	.	*			trans	-105.8	80	160.8	-153.8	87.4	0	0	0	108.9	F155 Y165	F155-L163 HydrophobicContact CE1-CD2 4.41Å; L163-Y165 HydrophobicContact CD2-CE2 4.14Å; L163-Y165 PolarHBondContact O-N 3.19Å; L163-Y165 VanDerWaalsContact O-N 3.14Å
164	I	29.8	Very low	29.4	Very low	101 Å²	101	107.3 Å²	107.3	52%	0.518	57%	0.567	S	S	.	*			trans	-75.2	104.1	-177.7	-63	173.5	0	0	0	109.4	T162 H166	T162-I164 HydrophobicContact CG2-CD1 4.27Å; T162-I164 HydrophobicContact CG2-CG1 4.36Å; I164-H166 PolarHBondContact O-N 2.95Å; I164-H166 VanDerWaalsContact O-N 3.16Å
165	Y	30.1	Very low	29	Very low	144 Å²	144	110.3 Å²	110.3	57%	0.565	59%	0.588	S	S	*	*			trans	-65.1	108.3	166.4	-85.6	-95	0	0	0	110	M147 L163 T167	M147-Y165 WeakPolarHBondContact CE-OH 3.48Å; L163-Y165 HydrophobicContact CD2-CE2 4.14Å; L163-Y165 PolarHBondContact O-N 3.19Å; L163-Y165 VanDerWaalsContact O-N 3.14Å; Y165-T167 HydrophobicContact CD1-CG2 4.42Å
166	H	25.8	Very low	28.5	Very low	85 Å²	85	109.6 Å²	109.6	39%	0.394	60%	0.598	S	S	.	*			trans	-108.6	59.1	173.6	-150.4	-72.4	0	0	0	111.3	I164 T168	I164-H166 PolarHBondContact O-N 2.95Å; I164-H166 VanDerWaalsContact O-N 3.16Å; H166-T168 PolarHBondContact O-N 3.28Å; H166-T168 VanDerWaalsContact O-N 3.11Å
167	T	27.2	Very low	28.2	Very low	117 Å²	117	107.2 Å²	107.2	72%	0.718	59%	0.592	S	S	*	*			trans	-73.1	98.4	178.1	38.4	0	0	0	0	111.1	Y165	Y165-T167 HydrophobicContact CD1-CG2 4.42Å
168	T	25	Very low	27.7	Very low	62 Å²	62	110.5 Å²	110.5	38%	0.38	61%	0.61	S	S	.	*			trans	-83.7	118.2	175.8	39.8	0	0	0	0	110.9	H166	H166-T168 PolarHBondContact O-N 3.28Å; H166-T168 VanDerWaalsContact O-N 3.11Å
169	Y	26.6	Very low	27.3	Very low	141 Å²	141	115.2 Å²	115.2	55%	0.553	61%	0.61	S	S	*	*	S	Bend	trans	70.3	125.7	173.3	-76.5	-91.4	0	0	0	119.2
170	Q	28.1	Very low	26.9	Very low	167 Å²	167	115 Å²	115	78%	0.78	61%	0.606	S	S	*	*			trans	47.4	88.8	157.3	-63.2	-175.7	-0.8	0	0	119.3
171	C	28.2	Very low	26.5	Very low	61 Å²	61	115.8 Å²	115.8	41%	0.412	62%	0.62	S	S	.	*			trans	-115.7	117.2	143.8	-170.9	0	0	0	0	108.7	C140 L173	C140-C171 HydrophobicContact CB-CB 4.47Å; C171-L173 PolarHBondContact O-N 2.95Å
172	P	29.1	Very low	26.3	Very low	84 Å²	84	118.7 Å²	118.7	55%	0.545	62%	0.618	S	S	.	*			trans	-70.5	115.4	176.3	28.3	-31.5	0	0	0	109	I174	P172-I174 PolarHBondContact O-N 2.88Å
173	L	28.8	Very low	26.1	Very low	135 Å²	135	121 Å²	121	71%	0.707	64%	0.635	S	S	*	*			trans	-67.2	89.3	163.3	-81.4	164	0	0	0	107.8	C171	C171-L173 PolarHBondContact O-N 2.95Å
174	I	28.2	Very low	25.8	Very low	129 Å²	129	126.2 Å²	126.2	66%	0.662	65%	0.65	S	S	*	*			trans	-57.1	138.8	178.2	-65.2	171.3	0	0	0	108.8	P172 S176	P172-I174 PolarHBondContact O-N 2.88Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.81Å
175	S	25.5	Very low	25.4	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	67%	0.665	S	S	*	*	S	Bend	trans	-65.8	76.1	-172.3	52.8	0	0	0	0	114
176	S	25	Very low	25.2	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	67%	0.67	S	S	*	*			trans	176.4	70	158.1	56.9	0	0	0	0	112.1	I174	I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.81Å
177	I	25.8	Very low	25	Very low	120 Å²	120	129.2 Å²	129.2	62%	0.615	69%	0.685	S	S	*	*			trans	-125.2	88.2	162.9	-54.5	-179.2	0	0	0	109	Y179	I177-Y179 HydrophobicContact CG2-CD2 4.06Å; I177-Y179 HydrophobicContact CG2-CE2 4.29Å; I177-Y179 PolarHBondContact O-N 2.78Å; I177-Y179 VanDerWaalsContact O-N 3.09Å
178	T	23.1	Very low	24.9	Very low	129 Å²	129	133.6 Å²	133.6	79%	0.791	69%	0.689	S	S	*	*			trans	-60.8	104.1	153.1	40.3	0	0	0	0	107.7	Q180	T178-Q180 PolarHBondContact O-N 3.43Å
179	Y	24.5	Very low	24.8	Very low	220 Å²	220	136.2 Å²	136.2	86%	0.863	71%	0.706	S	S	*	*			trans	-63.3	88.3	160.3	-95.9	-92.6	0	0	0	107.7	I177 S181	I177-Y179 HydrophobicContact CG2-CD2 4.06Å; I177-Y179 HydrophobicContact CG2-CE2 4.29Å; I177-Y179 PolarHBondContact O-N 2.78Å; I177-Y179 VanDerWaalsContact O-N 3.09Å; Y179-S181 PolarHBondContact O-N 3.46Å
180	Q	21.8	Very low	24.7	Very low	141 Å²	141	138.7 Å²	138.7	66%	0.659	72%	0.722	S	S	*	*			trans	-65.2	115	160	-87.4	-174.9	-31.7	0	0	106.9	T178 Y182	T178-Q180 PolarHBondContact O-N 3.43Å; Q180-Y182 VanDerWaalsContact C-N 3.28Å; Q180-Y182 HydrophobicContact CB-CD2 4.38Å; Q180-Y182 HydrophobicContact CB-CE2 4.41Å; Q180-Y182 PolarHBondContact O-N 3.41Å
181	S	21.8	Very low	24.5	Very low	107 Å²	107	139 Å²	139	75%	0.748	72%	0.723	S	S	*	*			trans	-62.1	92	165.9	51.3	0	0	0	0	108.8	Y179 C183	Y179-S181 PolarHBondContact O-N 3.46Å; S181-C183 PolarHBondContact O-N 2.78Å
182	Y	22.5	Very low	24.2	Very low	187 Å²	187	142.7 Å²	142.7	73%	0.733	74%	0.739	S	S	*	*			trans	-70.7	73	160.8	-88.5	-86.1	0	0	0	108.8	Q180 Y184	Q180-Y182 VanDerWaalsContact C-N 3.28Å; Q180-Y182 HydrophobicContact CB-CD2 4.38Å; Q180-Y182 HydrophobicContact CB-CE2 4.41Å; Q180-Y182 PolarHBondContact O-N 3.41Å; Y182-Y184 VanDerWaalsContact C-N 3.35Å; Y182-Y184 PolarHBondContact O-N 3.44Å; Y182-Y184 VanDerWaalsContact O-N 3.08Å
183	C	22.4	Very low	24	Very low	103 Å²	103	145.5 Å²	145.5	70%	0.696	74%	0.744	S	S	*	*			trans	-59.5	106.9	149	-67.9	0	0	0	0	105.9	S181 N185	S181-C183 PolarHBondContact O-N 2.78Å; C183-N185 PolarHBondContact O-N 2.8Å
184	Y	23.4	Very low	23.8	Very low	194 Å²	194	150.4 Å²	150.4	76%	0.761	76%	0.755	S	S	*	*			trans	-61.1	104.3	172.2	-116	-94.4	0	0	0	108	Y182 N186	Y182-Y184 VanDerWaalsContact C-N 3.35Å; Y182-Y184 PolarHBondContact O-N 3.44Å; Y182-Y184 VanDerWaalsContact O-N 3.08Å; Y184-N186 WeakPolarHBondContact CD1-OD1 3.2Å; Y184-N186 PolarHBondContact O-N 2.81Å
185	N	21.5	Very low	23.6	Very low	152 Å²	152	151.9 Å²	151.9	81%	0.813	76%	0.759	S	S	*	*			trans	-70.1	78.1	166.3	-92.7	-10.4	0	0	0	108.3	C183 T187	C183-N185 PolarHBondContact O-N 2.8Å; N185-T187 VanDerWaalsContact C-N 3.31Å; N185-T187 PolarHBondContact O-N 2.79Å
186	N	24.4	Very low	23.5	Very low	129 Å²	129	152.9 Å²	152.9	69%	0.69	76%	0.756	S	S	*	*			trans	-71.4	92.2	164	-85.8	3.1	0	0	0	108.6	Y184	Y184-N186 WeakPolarHBondContact CD1-OD1 3.2Å; Y184-N186 PolarHBondContact O-N 2.81Å
187	T	22.2	Very low	23.4	Very low	113 Å²	113	153.9 Å²	153.9	69%	0.693	75%	0.752	S	S	*	*			trans	-61.7	160.1	139.1	46.6	0	0	0	0	108.8	N185	N185-T187 VanDerWaalsContact C-N 3.31Å; N185-T187 PolarHBondContact O-N 2.79Å
188	Y	24.5	Very low	23.4	Very low	208 Å²	208	155.8 Å²	155.8	82%	0.816	76%	0.764	S	S	*	*	S	Bend	trans	78.9	71.5	-164.8	-55.7	-74.5	0	0	0	115.7
189	T	22.6	Very low	23.4	Very low	118 Å²	118	154.7 Å²	154.7	72%	0.724	75%	0.753	S	S	*	*				20.3	104.1	120.9	55.9	0	0	0	0	117.2
190	H	25.8	Very low	23.4	Very low	193 Å²	193	150.7 Å²	150.7	89%	0.894	75%	0.747	S	S	*	*				-153.3	129.7	121.9	-108.7	-73.9	0	0	0	110.3
191	Q	22.5	Very low	23.5	Very low	173 Å²	173	152.5 Å²	152.5	81%	0.808	75%	0.753	S	S	*	*			trans	-73	135.5	173.1	-63.1	163.1	-51.7	0	0	109.1
192	N	23.8	Very low	23.6	Very low	138 Å²	138	153 Å²	153	74%	0.738	75%	0.751	S	S	*	*				179.3	139.3	111.5	-88.8	-29.6	0	0	0	113.1
193	H	23.6	Very low	23.7	Very low	143 Å²	143	150.8 Å²	150.8	66%	0.662	75%	0.752	S	S	*	*			trans	17.4	112.8	150.6	-62.8	-85.1	0	0	0	119
194	Y	24.9	Very low	23.9	Very low	239 Å²	239	151.9 Å²	151.9	94%	0.937	75%	0.75	S	S	*	*				-146.7	134.3	107.7	-101.1	-77	0	0	0	109.5
195	Q	22.9	Very low	24	Very low	160 Å²	160	149.7 Å²	149.7	75%	0.748	75%	0.747	S	S	*	*			trans	-92.1	152.4	-177.9	-65.5	167.2	-76.8	0	0	110.6
196	N	23.5	Very low	24.1	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	73%	0.73	S	S	*	*			trans	49.5	101.1	158.8	-64.7	-9.9	0	0	0	117.9
197	D	24.2	Very low	24.2	Very low	125 Å²	125	145.3 Å²	145.3	67%	0.668	73%	0.728	S	S	*	*			trans	-142.1	90.2	149	-113	-35	0	0	0	111.4	N199	D197-N199 PolarHBondContact O-N 3.48Å
198	N	24.6	Very low	24.4	Very low	161 Å²	161	143.7 Å²	143.7	86%	0.861	72%	0.718	S	S	*	*			trans	-80.6	19.2	-177	-82	-23.5	0	0	0	113.9
199	N	24.2	Very low	24.4	Very low	105 Å²	105	137 Å²	137	56%	0.561	70%	0.696	S	S	*	*			trans	-113.8	-3.5	-154.7	-71.7	-35.9	0	0	0	117.5	D197 F201	D197-N199 PolarHBondContact O-N 3.48Å; N199-F201 PolarHBondContact O-N 3.1Å
200	N	24.3	Very low	24.6	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	20.3	-160.5	-72.9	-18.8	0	0	0	118.1
201	F	24.7	Very low	24.8	Very low	179 Å²	179	125.3 Å²	125.3	79%	0.785	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	21	180	-81.5	-74.2	0	0	0	115.7	N199 N203	N199-F201 PolarHBondContact O-N 3.1Å; F201-N203 PolarHBondContact O-N 3.27Å
202	T	23.8	Very low	25.6	Very low	117 Å²	117	121.3 Å²	121.3	72%	0.718	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-14.5	-170.4	43	0	0	0	0	116.9
203	N	24.9	Very low	26.7	Very low	141 Å²	141	117.2 Å²	117.2	75%	0.754	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	38	-164.1	-69.8	-0.2	0	0	0	115.8	F201 E205	F201-N203 PolarHBondContact O-N 3.27Å; N203-E205 PolarHBondContact O-N 3.47Å
204	I	25.8	Very low	27.8	Very low	126 Å²	126	115.3 Å²	115.3	65%	0.646	60%	0.597	S	S	*	*			trans	-85.4	87.8	171.6	-56.3	178.9	0	0	0	109.6
205	E	24.8	Very low	28.8	Very low	149 Å²	149	106.1 Å²	106.1	70%	0.696	56%	0.562	S	S	*	*			trans	-79.4	-18.7	-178.4	-66	-170.8	146.9	0	0	114.6	N203	N203-E205 PolarHBondContact O-N 3.47Å
206	S	24.8	Very low	29.9	Very low	67 Å²	67	99.4 Å²	99.4	47%	0.469	53%	0.531	S	S	.	.			trans	-153.8	145.7	172.7	66.5	0	0	0	0	112.9
207	L	26.8	Very low	31.2	Very low	122 Å²	122	92.8 Å²	92.8	64%	0.639	50%	0.496	S	S	*	.			trans	-127.2	103.4	176.3	-179.4	68.4	0	0	0	108.7	I209	L207-I209 HydrophobicContact CD1-CD1 4.43Å; L207-I209 HydrophobicContact CD1-CG1 4.38Å; L207-I209 HydrophobicContact CD2-CD1 3.98Å; L207-I209 HydrophobicContact CG-CD1 4.04Å; L207-I209 HydrophobicContact CG-CG1 4.06Å
208	T	25.1	Very low	32.4	Very low	78 Å²	78	89.5 Å²	89.5	48%	0.479	48%	0.478	S	S	.	.			trans	-99	112.1	179.7	18.1	0	0	0	0	110.7
209	I	25.4	Very low	33.3	Very low	69 Å²	69	82.5 Å²	82.5	35%	0.354	44%	0.442	S	S	.	.			trans	-118.7	115.9	178.3	-52.3	178.2	0	0	0	109.9	L207 A211 A219 Y386	L207-I209 HydrophobicContact CD1-CD1 4.43Å; L207-I209 HydrophobicContact CD1-CG1 4.38Å; L207-I209 HydrophobicContact CD2-CD1 3.98Å; L207-I209 HydrophobicContact CG-CD1 4.04Å; L207-I209 HydrophobicContact CG-CG1 4.06Å; I209-A211 HydrophobicContact CG2-CB 3.93Å; I209-A211 PolarHBondContact O-N 2.99Å; I209-A219 HydrophobicContact CD1-CB 3.69Å; I209-Y386 PolarHBondContact O-OH 3.28Å
210	G	25.8	Very low	34.6	Very low	52 Å²	52	78.2 Å²	78.2	54%	0.536	42%	0.419	S	S	.	.			trans	-70.7	88	165.2	0	0	0	0	0	110.4	Q215 Y386	G210-Q215 PolarHBondContact O-OE1 3.22Å; G210-Y386 VanDerWaalsContact CA-OH 3.28Å; G210-Y386 WeakPolarHBondContact CA-OH 3.17Å; G210-Y386 PolarHBondContact N-OH 3.48Å
211	A	30.8	Very low	35.8	Very low	12 Å²	12	72.6 Å²	72.6	10%	0.099	39%	0.389	C	S	.	.			trans	-114.1	125.9	-168.5	0	0	0	0	0	113.8	I209 Q215 L216 M389	I209-A211 HydrophobicContact CG2-CB 3.93Å; I209-A211 PolarHBondContact O-N 2.99Å; A211-Q215 HydrophobicContact CB-CB 3.57Å; A211-L216 HydrophobicContact CB-CB 4.3Å; A211-M389 WeakPolarHBondContact O-CE 3.2Å
212	N	38.6	Very low	36.9	Very low	89 Å²	89	70.4 Å²	70.4	48%	0.476	38%	0.379	S	S	.	.			trans	-70.8	172.1	154	69.3	17.4	0	0	0	110.8	Y214 Q215 L216	N212-Y214 PolarHBondContact O-N 3.19Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.42Å; N212-Y214 PolarHBondContact OD1-N 2.69Å; N212-Y214 VanDerWaalsContact OD1-N 3.16Å; N212-Q215 PolarHBondContact O-N 2.87Å; N212-Q215 WeakPolarHBondContact OD1-CG 3.09Å; N212-Q215 PolarHBondContact OD1-N 3.18Å; N212-Q215 PolarHBondContact OD1-OE1 3.41Å; N212-L216 PolarHBondContact O-N 2.95Å
213	K	46.6	Very low	38	Very low	53 Å²	53	67 Å²	67	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-50.5	-31.9	-179.7	-67	-179.8	173.3	176.3	0	113.8	S217 Y236 D237 S239 Y331	K213-S217 PolarHBondContact O-N 3.22Å; K213-S217 PolarHBondContact O-OG 2.93Å; K213-Y236 HydrophobicContact CB-CD2 4.25Å; K213-D237 WeakPolarHBondContact CD-O 3.3Å; K213-D237 PolarHBondContact NZ-O 3.33Å; K213-D237 IonicContact NZ-OD2 2.91Å; K213-D237 PolarHBondContact NZ-OD2 2.93Å; K213-S239 PolarHBondContact NZ-OG 2.93Å; K213-Y331 WeakPolarHBondContact CE-OH 3.37Å; K213-Y331 PolarHBondContact NZ-OH 2.61Å
214	Y	47.5	Very low	39.1	Very low	103 Å²	103	60.6 Å²	60.6	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-76.9	-43.2	177.5	168.7	-100.3	0	0	0	112.9	N212 L216 S217 I218	N212-Y214 PolarHBondContact O-N 3.19Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.42Å; N212-Y214 PolarHBondContact OD1-N 2.69Å; N212-Y214 VanDerWaalsContact OD1-N 3.16Å; Y214-L216 VanDerWaalsContact C-N 3.27Å; Y214-L216 PolarHBondContact O-N 3.34Å; Y214-S217 WeakPolarHBondContact CA-OG 3.11Å; Y214-S217 PolarHBondContact O-N 3.14Å; Y214-S217 PolarHBondContact O-OG 3.1Å; Y214-I218 HydrophobicContact CD1-CD1 3.97Å; Y214-I218 HydrophobicContact CE1-CD1 3.45Å; Y214-I218 VanDerWaalsContact CE1-CD1 3.45Å; Y214-I218 HydrophobicContact CE2-CD1 4.05Å; Y214-I218 HydrophobicContact CG-CD1 4.48Å; Y214-I218 VanDerWaalsContact CZ-CD1 3.5Å; Y214-I218 WeakPolarHBondContact O-CG1 3.37Å; Y214-I218 PolarHBondContact O-N 3.05Å
215	Q	45.7	Very low	40.2	Very low	45 Å²	45	58.1 Å²	58.1	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-29.9	173.3	-71.4	164.2	-45.6	0	0	111.8	G210 A211 N212 I218 A219	G210-Q215 PolarHBondContact O-OE1 3.22Å; A211-Q215 HydrophobicContact CB-CB 3.57Å; N212-Q215 PolarHBondContact O-N 2.87Å; N212-Q215 WeakPolarHBondContact OD1-CG 3.09Å; N212-Q215 PolarHBondContact OD1-N 3.18Å; N212-Q215 PolarHBondContact OD1-OE1 3.41Å; Q215-I218 PolarHBondContact O-N 3.34Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 3.21Å
216	L	46.9	Very low	41.1	Very low	19 Å²	19	60.5 Å²	60.5	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-43.1	174.7	-169.8	78.2	0	0	0	111.2	A211 N212 Y214 A219 L220 I302 M389 L393	A211-L216 HydrophobicContact CB-CB 4.3Å; N212-L216 PolarHBondContact O-N 2.95Å; Y214-L216 VanDerWaalsContact C-N 3.27Å; Y214-L216 PolarHBondContact O-N 3.34Å; L216-A219 WeakPolarHBondContact O-CB 3.49Å; L216-A219 PolarHBondContact O-N 3.26Å; L216-L220 PolarHBondContact O-N 2.87Å; L216-I302 HydrophobicContact CD2-CD1 4.28Å; L216-M389 HydrophobicContact CD1-CE 4.37Å; L216-M389 HydrophobicContact CD1-CG 4.12Å; L216-M389 HydrophobicContact CD1-SD 4.49Å; L216-M389 HydrophobicContact CD2-CG 3.86Å; L216-M389 HydrophobicContact CD2-SD 3.78Å; L216-L393 HydrophobicContact CD1-CD1 4.22Å; L216-L393 HydrophobicContact CD1-CD2 4.16Å
217	S	49.4	Very low	42	Very low	0 Å²	0	60 Å²	60	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-34.4	175.6	39.7	0	0	0	0	112.3	K213 Y214 L220 I221	K213-S217 PolarHBondContact O-N 3.22Å; K213-S217 PolarHBondContact O-OG 2.93Å; Y214-S217 WeakPolarHBondContact CA-OG 3.11Å; Y214-S217 PolarHBondContact O-N 3.14Å; Y214-S217 PolarHBondContact O-OG 3.1Å; S217-L220 PolarHBondContact O-N 2.95Å; S217-I221 WeakPolarHBondContact O-CD1 3.08Å; S217-I221 VanDerWaalsContact O-CG1 3.28Å; S217-I221 WeakPolarHBondContact O-CG1 3.29Å; S217-I221 PolarHBondContact O-N 3.3Å
218	I	49	Very low	43	Very low	56 Å²	56	61.2 Å²	61.2	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-41.3	168.1	-70.1	169.9	0	0	0	112	Y214 Q215 I221 K222	Y214-I218 HydrophobicContact CD1-CD1 3.97Å; Y214-I218 HydrophobicContact CE1-CD1 3.45Å; Y214-I218 VanDerWaalsContact CE1-CD1 3.45Å; Y214-I218 HydrophobicContact CE2-CD1 4.05Å; Y214-I218 HydrophobicContact CG-CD1 4.48Å; Y214-I218 VanDerWaalsContact CZ-CD1 3.5Å; Y214-I218 WeakPolarHBondContact O-CG1 3.37Å; Y214-I218 PolarHBondContact O-N 3.05Å; Q215-I218 PolarHBondContact O-N 3.34Å; I218-I221 PolarHBondContact O-N 3.03Å; I218-K222 HydrophobicContact CG2-CD 4.47Å; I218-K222 PolarHBondContact O-N 2.7Å
219	A	45	Very low	44.1	Very low	14 Å²	14	61.8 Å²	61.8	12%	0.116	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-43.5	177	0	0	0	0	0	111.5	I209 Q215 L216 K222 L223	I209-A219 HydrophobicContact CD1-CB 3.69Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 3.21Å; L216-A219 WeakPolarHBondContact O-CB 3.49Å; L216-A219 PolarHBondContact O-N 3.26Å; A219-K222 PolarHBondContact O-N 3.16Å; A219-L223 VanDerWaalsContact O-CB 3.3Å; A219-L223 WeakPolarHBondContact O-CB 3.19Å; A219-L223 PolarHBondContact O-N 3.4Å
220	L	50.5	Low	45.2	Very low	15 Å²	15	62.4 Å²	62.4	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-47.8	171.3	-87.7	156.3	0	0	0	111.6	L216 S217 K222 L223 L224 I234 I300 I302 L393	L216-L220 PolarHBondContact O-N 2.87Å; S217-L220 PolarHBondContact O-N 2.95Å; L220-K222 PolarHBondContact O-N 2.78Å; L220-L223 PolarHBondContact O-N 3.17Å; L220-L224 HydrophobicContact CB-CD1 4.48Å; L220-L224 WeakPolarHBondContact O-CB 3.28Å; L220-L224 WeakPolarHBondContact O-CD1 3.37Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.27Å; L220-I234 HydrophobicContact CB-CD1 3.81Å; L220-I300 HydrophobicContact CD2-CD1 4.24Å; L220-I302 HydrophobicContact CD1-CD1 4.3Å; L220-L393 HydrophobicContact CD1-CD1 4.49Å; L220-L393 HydrophobicContact CD2-CD1 4.28Å; L220-L393 HydrophobicContact CG-CD1 4.11Å
221	I	50.9	Low	46.7	Very low	19 Å²	19	61.9 Å²	61.9	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-45.7	177.4	-71.2	158.6	0	0	0	111.7	S217 I218 L223 L224 Q225 I234 L261 Y263	S217-I221 WeakPolarHBondContact O-CD1 3.08Å; S217-I221 VanDerWaalsContact O-CG1 3.28Å; S217-I221 WeakPolarHBondContact O-CG1 3.29Å; S217-I221 PolarHBondContact O-N 3.3Å; I218-I221 PolarHBondContact O-N 3.03Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 3.29Å; I221-L224 PolarHBondContact O-N 3.42Å; I221-Q225 WeakPolarHBondContact O-CB 3.24Å; I221-Q225 PolarHBondContact O-N 2.81Å; I221-I234 HydrophobicContact CD1-CD1 4.27Å; I221-I234 HydrophobicContact CG1-CD1 3.78Å; I221-L261 HydrophobicContact CD1-CB 3.78Å; I221-L261 HydrophobicContact CD1-CD1 3.86Å; I221-L261 HydrophobicContact CD1-CD2 4.18Å; I221-L261 HydrophobicContact CD1-CG 4.15Å; I221-Y263 HydrophobicContact CG2-CD2 3.91Å; I221-Y263 HydrophobicContact CG2-CG 4.29Å
222	K	47.5	Very low	47.9	Very low	132 Å²	132	61.4 Å²	61.4	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-63.8	-34.6	177.2	-76.4	-173.8	172.4	-171.9	0	112.8	I218 A219 L220 Q225 Y226	I218-K222 HydrophobicContact CG2-CD 4.47Å; I218-K222 PolarHBondContact O-N 2.7Å; A219-K222 PolarHBondContact O-N 3.16Å; L220-K222 PolarHBondContact O-N 2.78Å; K222-Q225 WeakPolarHBondContact O-CB 3.45Å; K222-Y226 PolarHBondContact O-N 2.83Å
223	L	46.4	Very low	48.9	Very low	47 Å²	47	57.9 Å²	57.9	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-77.4	-31.5	178.5	-168.7	135.7	0	0	0	112.2	A219 L220 I221 Y226 L227 I397	A219-L223 VanDerWaalsContact O-CB 3.3Å; A219-L223 WeakPolarHBondContact O-CB 3.19Å; A219-L223 PolarHBondContact O-N 3.4Å; L220-L223 PolarHBondContact O-N 3.17Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 3.29Å; L223-Y226 WeakPolarHBondContact O-CB 3.39Å; L223-Y226 PolarHBondContact O-N 3.43Å; L223-L227 HydrophobicContact CD2-CD1 4.02Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 2.95Å; L223-I397 HydrophobicContact CD1-CD1 3.57Å; L223-I397 HydrophobicContact CD1-CG1 4.21Å; L223-I397 HydrophobicContact CD2-CD1 4.15Å; L223-I397 HydrophobicContact CD2-CG1 3.84Å; L223-I397 HydrophobicContact CD2-CG2 4.42Å
224	L	49	Very low	49.5	Very low	5 Å²	5	55.4 Å²	55.4	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-76.8	-29.1	173	-66.8	160.4	0	0	0	112.1	L220 I221 L227 N228 R229 I232 I300 F400	L220-L224 HydrophobicContact CB-CD1 4.48Å; L220-L224 WeakPolarHBondContact O-CB 3.28Å; L220-L224 WeakPolarHBondContact O-CD1 3.37Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.27Å; I221-L224 PolarHBondContact O-N 3.42Å; L224-L227 HydrophobicContact CD2-CD1 4.37Å; L224-L227 CarbonylContact O-C 3.55Å; L224-L227 PolarHBondContact O-N 2.77Å; L224-N228 PolarHBondContact O-N 2.84Å; L224-R229 PolarHBondContact O-N 3.21Å; L224-I232 HydrophobicContact CB-CD1 3.66Å; L224-I232 HydrophobicContact CD1-CD1 3.8Å; L224-I232 HydrophobicContact CD1-CG2 4.21Å; L224-I232 HydrophobicContact CD2-CD1 3.97Å; L224-I232 HydrophobicContact CG-CD1 4Å; L224-I300 HydrophobicContact CD1-CD1 3.9Å; L224-F400 HydrophobicContact CD2-CD1 4.14Å; L224-F400 HydrophobicContact CD2-CE1 3.42Å; L224-F400 VanDerWaalsContact CD2-CE1 3.42Å; L224-F400 HydrophobicContact CD2-CZ 3.91Å
225	Q	47.5	Very low	50.2	Low	74 Å²	74	51.7 Å²	51.7	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-48.6	162.2	-97.5	-174.9	-35.4	0	0	111.7	I221 K222 L227 N228 Y263	I221-Q225 WeakPolarHBondContact O-CB 3.24Å; I221-Q225 PolarHBondContact O-N 2.81Å; K222-Q225 WeakPolarHBondContact O-CB 3.45Å; Q225-L227 PolarHBondContact O-N 2.9Å; Q225-N228 PolarHBondContact O-N 2.81Å; Q225-Y263 HydrophobicContact CG-CE1 3.99Å; Q225-Y263 HydrophobicContact CG-CE2 3.69Å; Q225-Y263 VanDerWaalsContact CG-OH 3.23Å; Q225-Y263 WeakPolarHBondContact CG-OH 3.21Å; Q225-Y263 PolarHBondContact NE2-OH 3.22Å
226	Y	45	Very low	51	Low	199 Å²	199	50.4 Å²	50.4	78%	0.78	24%	0.239	S	C	*	.	H	α-helix	trans	-61.6	-31.1	175.7	179.1	-93.3	0	0	0	112.6	K222 L223 N228	K222-Y226 PolarHBondContact O-N 2.83Å; L223-Y226 WeakPolarHBondContact O-CB 3.39Å; L223-Y226 PolarHBondContact O-N 3.43Å; Y226-N228 VanDerWaalsContact C-N 3.27Å; Y226-N228 PolarHBondContact O-N 2.64Å
227	L	42.4	Very low	51.4	Low	58 Å²	58	50.5 Å²	50.5	30%	0.304	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	8.6	172.3	-67.3	171.5	0	0	0	114.3	L223 L224 Q225 R229 F400	L223-L227 HydrophobicContact CD2-CD1 4.02Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 2.95Å; L224-L227 HydrophobicContact CD2-CD1 4.37Å; L224-L227 CarbonylContact O-C 3.55Å; L224-L227 PolarHBondContact O-N 2.77Å; Q225-L227 PolarHBondContact O-N 2.9Å; L227-R229 PolarHBondContact O-N 3.02Å; L227-R229 VanDerWaalsContact O-N 3.12Å; L227-F400 HydrophobicContact CD1-CD1 4.2Å; L227-F400 HydrophobicContact CD1-CE1 4.38Å
228	N	49.1	Very low	51.4	Low	146 Å²	146	52.9 Å²	52.9	78%	0.781	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	25.6	173.4	-128.1	5.8	0	0	0	115	L224 Q225 Y226	L224-N228 PolarHBondContact O-N 2.84Å; Q225-N228 PolarHBondContact O-N 2.81Å; Y226-N228 VanDerWaalsContact C-N 3.27Å; Y226-N228 PolarHBondContact O-N 2.64Å
229	R	46.2	Very low	51.2	Low	90 Å²	90	53.5 Å²	53.5	34%	0.34	27%	0.265	S	S	.	.			trans	-95.4	135.3	177.3	-70	-66.9	-156.5	-116.8	0.2	110.6	L224 L227 I232 Y263 E408	L224-R229 PolarHBondContact O-N 3.21Å; L227-R229 PolarHBondContact O-N 3.02Å; L227-R229 VanDerWaalsContact O-N 3.12Å; R229-I232 HydrophobicContact CB-CD1 3.89Å; R229-Y263 WeakPolarHBondContact O-CE1 3.44Å; R229-E408 IonicContact CZ-OE1 2.64Å; R229-E408 IonicContact NH1-OE1 3.25Å; R229-E408 PolarHBondContact NH1-OE1 3.29Å; R229-E408 IonicContact NH2-OE1 3.81Å; R229-E408 PolarHBondContact NH2-OE1 2.68Å
230	L	49.5	Very low	50.7	Low	83 Å²	83	57.2 Å²	57.2	44%	0.435	29%	0.29	S	S	.	.			trans	-111.9	157.2	-179	-55.4	-178.4	0	0	0	110.8	Y263 S297	L230-Y263 HydrophobicContact CD2-CE1 3.78Å; L230-S297 WeakPolarHBondContact O-CB 3.27Å; L230-S297 PolarHBondContact O-OG 3.37Å
231	N	56.7	Low	49.7	Very low	40 Å²	40	64.3 Å²	64.3	21%	0.214	33%	0.329	C	S	.	.	S	Bend	trans	65.4	59.7	174.5	-49.8	-11.4	0	0	0	113.9	Y263 V294 D295 I296 S297	N231-Y263 WeakPolarHBondContact CA-O 3.4Å; N231-Y263 PolarHBondContact N-O 2.89Å; N231-V294 HydrophobicContact CB-CG1 3.91Å; N231-V294 VanDerWaalsContact CG-CG1 3.42Å; N231-V294 WeakPolarHBondContact ND2-CG1 3.48Å; N231-D295 WeakPolarHBondContact CB-O 3.26Å; N231-D295 PolarHBondContact ND2-O 2.91Å; N231-I296 CarbonylContact O-C 3.58Å; N231-I296 WeakPolarHBondContact O-CA 3.33Å; N231-S297 PolarHBondContact O-N 3.01Å; N231-S297 PolarHBondContact O-OG 3.04Å
232	I	56.4	Low	48.5	Very low	3 Å²	3	70.2 Å²	70.2	2%	0.015	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.6	-178.5	-54.7	178.9	0	0	0	110.7	L224 R229 I234 L262 Y263 A298	L224-I232 HydrophobicContact CB-CD1 3.66Å; L224-I232 HydrophobicContact CD1-CD1 3.8Å; L224-I232 HydrophobicContact CD1-CG2 4.21Å; L224-I232 HydrophobicContact CD2-CD1 3.97Å; L224-I232 HydrophobicContact CG-CD1 4Å; R229-I232 HydrophobicContact CB-CD1 3.89Å; I232-I234 HydrophobicContact CG2-CG1 4.45Å; I232-L262 WeakPolarHBondContact O-CA 3.44Å; I232-Y263 PolarHBondContact N-O 3.42Å; I232-Y263 PolarHBondContact O-N 3.24Å; I232-A298 WeakPolarHBondContact CA-O 3.13Å; I232-A298 HydrophobicContact CG1-CB 4.35Å; I232-A298 HydrophobicContact CG2-CB 4.26Å
233	L	59.4	Low	47.6	Very low	14 Å²	14	72.1 Å²	72.1	7%	0.073	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.1	175.5	-177.8	64.3	0	0	0	110.2	I235 Y260 L261 L262 I296 A298 C299 I300	L233-I235 HydrophobicContact CD2-CD1 4.07Å; L233-I235 HydrophobicContact CD2-CG1 4.28Å; L233-I235 HydrophobicContact CG-CD1 4.4Å; L233-I235 HydrophobicContact CG-CG1 4.06Å; L233-Y260 HydrophobicContact CD1-CD2 4.06Å; L233-Y260 HydrophobicContact CD1-CG 4.48Å; L233-L261 WeakPolarHBondContact CA-O 3.5Å; L233-L262 HydrophobicContact CB-CD1 4.46Å; L233-L262 HydrophobicContact CD1-CD1 4.24Å; L233-I296 HydrophobicContact CB-CG2 4.22Å; L233-I296 HydrophobicContact CD2-CD1 4.32Å; L233-A298 PolarHBondContact N-O 3.36Å; L233-C299 CarbonylContact O-C 3.54Å; L233-C299 VanDerWaalsContact O-CA 3.31Å; L233-C299 WeakPolarHBondContact O-CA 3.23Å; L233-I300 PolarHBondContact O-N 3.3Å
234	I	60.1	Low	46.7	Very low	1 Å²	1	77.1 Å²	77.1	1%	0.005	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.9	171.4	-53.7	-176.6	0	0	0	108.7	L220 I221 I232 Y260 L261 I300	L220-I234 HydrophobicContact CB-CD1 3.81Å; I221-I234 HydrophobicContact CD1-CD1 4.27Å; I221-I234 HydrophobicContact CG1-CD1 3.78Å; I232-I234 HydrophobicContact CG2-CG1 4.45Å; I234-Y260 CarbonylContact O-C 3.54Å; I234-Y260 WeakPolarHBondContact O-CA 3.33Å; I234-L261 PolarHBondContact N-O 3.4Å; I234-L261 PolarHBondContact O-N 3.4Å; I234-I300 CarbonylContact C-O 3.4Å; I234-I300 WeakPolarHBondContact CA-O 3.16Å; I234-I300 HydrophobicContact CG1-CB 4.38Å
235	I	62.7	Low	45.7	Very low	25 Å²	25	84.2 Å²	84.2	13%	0.128	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	-179.8	-54.6	179.9	0	0	0	108.5	L233 L258 I300 V301 I302	L233-I235 HydrophobicContact CD2-CD1 4.07Å; L233-I235 HydrophobicContact CD2-CG1 4.28Å; L233-I235 HydrophobicContact CG-CD1 4.4Å; L233-I235 HydrophobicContact CG-CG1 4.06Å; I235-L258 HydrophobicContact CG2-CD2 3.45Å; I235-L258 VanDerWaalsContact CG2-CD2 3.45Å; I235-I300 PolarHBondContact N-O 3.07Å; I235-V301 HydrophobicContact CB-CG2 4.37Å; I235-V301 HydrophobicContact CD1-CG2 4.4Å; I235-V301 WeakPolarHBondContact O-CA 3.4Å; I235-I302 PolarHBondContact O-N 3.26Å
236	Y	60.5	Low	44.8	Very low	19 Å²	19	88.5 Å²	88.5	8%	0.075	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.7	-178.6	64.5	-84.1	0	0	0	113.9	K213 S238 A259 L261 I302	K213-Y236 HydrophobicContact CB-CD2 4.25Å; Y236-S238 PolarHBondContact O-N 2.87Å; Y236-A259 WeakPolarHBondContact CD1-O 3.3Å; Y236-A259 HydrophobicContact CD2-CB 4.35Å; Y236-A259 HydrophobicContact CE1-CB 3.93Å; Y236-A259 HydrophobicContact CE2-CB 3.75Å; Y236-A259 PolarHBondContact N-O 3.47Å; Y236-A259 PolarHBondContact O-N 3.01Å; Y236-L261 HydrophobicContact CE1-CD1 4.13Å; Y236-I302 WeakPolarHBondContact CA-O 3.34Å
237	D	56.4	Low	44.1	Very low	21 Å²	21	85.3 Å²	85.3	11%	0.112	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.1	177.9	162.1	39.2	0	0	0	112.8	K213 S239 H257 I302 Y331	K213-D237 WeakPolarHBondContact CD-O 3.3Å; K213-D237 PolarHBondContact NZ-O 3.33Å; K213-D237 IonicContact NZ-OD2 2.91Å; K213-D237 PolarHBondContact NZ-OD2 2.93Å; D237-S239 PolarHBondContact O-N 3.15Å; D237-H257 CarbonylContact C-O 3.54Å; D237-H257 WeakPolarHBondContact CA-O 3.49Å; D237-I302 PolarHBondContact N-O 2.82Å; D237-Y331 PolarHBondContact OD2-OH 2.85Å
238	S	48.5	Very low	43.5	Very low	50 Å²	50	90.3 Å²	90.3	35%	0.35	48%	0.479	S	S	.	.			trans	-84.2	69.2	178	-167.4	0	0	0	0	111.8	Y236 S240 H257	Y236-S238 PolarHBondContact O-N 2.87Å; S238-S240 PolarHBondContact O-N 2.76Å; S238-H257 PolarHBondContact N-O 2.83Å
239	S	45.1	Very low	42.7	Very low	68 Å²	68	88.2 Å²	88.2	48%	0.476	47%	0.468	S	S	.	.			trans	-85.6	80.3	178	66.6	0	0	0	0	112.1	K213 D237	K213-S239 PolarHBondContact NZ-OG 2.93Å; D237-S239 PolarHBondContact O-N 3.15Å
240	S	35.7	Very low	41.9	Very low	92 Å²	92	88.2 Å²	88.2	64%	0.643	48%	0.48	S	S	*	.			trans	-79.2	126.4	162.9	63.1	0	0	0	0	110	S238 N242	S238-S240 PolarHBondContact O-N 2.76Å; S240-N242 PolarHBondContact O-N 3.28Å
241	N	28.7	Very low	40.9	Very low	165 Å²	165	90.6 Å²	90.6	88%	0.882	49%	0.492	S	S	*	.	S	Bend	trans	-47	103.9	178.4	-75.9	-22.9	0	0	0	112.9
242	N	26.8	Very low	39.7	Very low	142 Å²	142	90.1 Å²	90.1	76%	0.759	50%	0.497	S	S	*	.			trans	-160.2	88.7	166.8	-103.9	-32.6	0	0	0	110.8	S240 N244	S240-N242 PolarHBondContact O-N 3.28Å; N242-N244 PolarHBondContact O-N 3.42Å
243	H	27.2	Very low	38.5	Very low	173 Å²	173	95.3 Å²	95.3	80%	0.801	52%	0.523	S	S	*	.			trans	-71.6	96.7	167.7	-80.3	-70	0	0	0	110.3
244	N	27.1	Very low	37.2	Very low	152 Å²	152	97.4 Å²	97.4	81%	0.813	53%	0.532	S	S	*	.			trans	-131.1	82.8	160.8	-99.9	-33.9	0	0	0	109.5	N242 N246	N242-N244 PolarHBondContact O-N 3.42Å; N244-N246 PolarHBondContact O-N 3.3Å
245	H	28.8	Very low	36	Very low	153 Å²	153	98 Å²	98	71%	0.708	54%	0.536	S	S	*	.			trans	-69.3	115.5	169	-76.5	-79.5	0	0	0	110
246	N	29.4	Very low	34.8	Very low	164 Å²	164	101 Å²	101	88%	0.877	55%	0.552	S	S	*	*			trans	-121.1	115	151.2	-94.3	-19.8	0	0	0	107.6	N244	N244-N246 PolarHBondContact O-N 3.3Å
247	N	28.9	Very low	34.2	Very low	133 Å²	133	103.7 Å²	103.7	71%	0.711	57%	0.565	S	S	*	*			trans	-66.3	141.8	175	-61.2	-23.2	0	0	0	109.9
248	N	31.5	Very low	33.7	Very low	162 Å²	162	104.4 Å²	104.4	87%	0.866	57%	0.569	S	S	*	*			trans	155.6	-3.1	137.9	-78.4	-7.4	0	0	0	114.9
249	D	31.4	Very low	33.7	Very low	102 Å²	102	102.4 Å²	102.4	55%	0.545	56%	0.555	S	S	.	*			trans	-122.3	105.3	-179.6	-160.5	-22.2	0	0	0	112.3	L251 G252	D249-L251 PolarHBondContact O-N 2.84Å; D249-L251 PolarHBondContact OD1-N 2.93Å; D249-G252 PolarHBondContact O-N 3.01Å
250	P	30	Very low	34.1	Very low	91 Å²	91	101.8 Å²	101.8	59%	0.591	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.7	176.9	-22.9	33.8	0	0	0	113.4	F254	P250-F254 WeakPolarHBondContact O-CD2 3.3Å; P250-F254 WeakPolarHBondContact O-CE2 3.25Å
251	L	28.6	Very low	35	Very low	133 Å²	133	98.2 Å²	98.2	70%	0.696	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-25.7	177.8	-80.1	98.2	0	0	0	112.9	D249 I253 F254	D249-L251 PolarHBondContact O-N 2.84Å; D249-L251 PolarHBondContact OD1-N 2.93Å; L251-I253 PolarHBondContact O-N 3.13Å; L251-F254 PolarHBondContact O-N 2.82Å
252	G	30.3	Very low	36.2	Very low	30 Å²	30	93.2 Å²	93.2	31%	0.309	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.1	-179.1	0	0	0	0	0	114.9	D249	D249-G252 PolarHBondContact O-N 3.01Å
253	I	31.2	Very low	37.6	Very low	111 Å²	111	88.3 Å²	88.3	57%	0.569	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-29.7	-179.5	-61.7	169.9	0	0	0	111.5	L251	L251-I253 PolarHBondContact O-N 3.13Å
254	F	32.3	Very low	38.7	Very low	58 Å²	58	83.2 Å²	83.2	25%	0.254	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-32.2	-170.2	-69.1	-75.7	0	0	0	114	P250 L251 N256 W278 T310	P250-F254 WeakPolarHBondContact O-CD2 3.3Å; P250-F254 WeakPolarHBondContact O-CE2 3.25Å; L251-F254 PolarHBondContact O-N 2.82Å; F254-N256 PolarHBondContact O-N 3.18Å; F254-W278 HydrophobicContact CB-CH2 3.88Å; F254-W278 HydrophobicContact CB-CZ3 3.81Å; F254-W278 VanDerWaalsContact O-CZ3 3.24Å; F254-W278 WeakPolarHBondContact O-CZ3 3.3Å; F254-T310 HydrophobicContact CE1-CG2 3.64Å; F254-T310 HydrophobicContact CZ-CG2 3.89Å
255	T	35.6	Very low	39.2	Very low	15 Å²	15	77.9 Å²	77.9	9%	0.092	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.2	-161.6	52	0	0	0	0	115.7	W278 N280	T255-W278 WeakPolarHBondContact CB-O 3.49Å; T255-W278 HydrophobicContact CG2-CD2 3.96Å; T255-W278 HydrophobicContact CG2-CG 4Å; T255-W278 CarbonylContact O-C 3.51Å; T255-W278 VanDerWaalsContact O-CB 3.3Å; T255-W278 WeakPolarHBondContact O-CB 3.32Å; T255-N280 WeakPolarHBondContact CG2-OD1 3.44Å; T255-N280 PolarHBondContact OG1-OD1 3.14Å
256	N	37.9	Very low	39.7	Very low	87 Å²	87	73.3 Å²	73.3	47%	0.465	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-1.2	-175.1	-75	-65	0	0	0	116.1	F254	F254-N256 PolarHBondContact O-N 3.18Å
257	H	46.5	Very low	39.9	Very low	75 Å²	75	74 Å²	74	35%	0.347	42%	0.418	S	S	.	.	S	Bend	trans	-128.8	5.3	-160.7	-64.1	-58.9	0	0	0	117.1	D237 S238	D237-H257 CarbonylContact C-O 3.54Å; D237-H257 WeakPolarHBondContact CA-O 3.49Å; S238-H257 PolarHBondContact N-O 2.83Å
258	L	45.3	Very low	40.1	Very low	37 Å²	37	74 Å²	74	19%	0.194	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.1	178.6	-86.7	160.8	0	0	0	112.3	I235 W278 F307 L311	I235-L258 HydrophobicContact CG2-CD2 3.45Å; I235-L258 VanDerWaalsContact CG2-CD2 3.45Å; L258-W278 HydrophobicContact CD1-CE3 4.12Å; L258-W278 HydrophobicContact CD1-CZ3 3.76Å; L258-F307 HydrophobicContact CD1-CE1 3.84Å; L258-F307 HydrophobicContact CD1-CZ 4.2Å; L258-F307 HydrophobicContact CD2-CE1 4.13Å; L258-F307 HydrophobicContact CG-CE1 3.91Å; L258-F307 HydrophobicContact CG-CZ 4.28Å; L258-L311 HydrophobicContact CD1-CD1 4.11Å; L258-L311 HydrophobicContact CD2-CD1 4.49Å
259	A	49.7	Very low	40.2	Very low	7 Å²	7	69.6 Å²	69.6	6%	0.058	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149	169.5	0	0	0	0	0	110	Y236	Y236-A259 WeakPolarHBondContact CD1-O 3.3Å; Y236-A259 HydrophobicContact CD2-CB 4.35Å; Y236-A259 HydrophobicContact CE1-CB 3.93Å; Y236-A259 HydrophobicContact CE2-CB 3.75Å; Y236-A259 PolarHBondContact N-O 3.47Å; Y236-A259 PolarHBondContact O-N 3.01Å
260	Y	54.4	Low	40.3	Very low	55 Å²	55	70.2 Å²	70.2	22%	0.216	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.5	179.5	72.4	-90.8	0	0	0	112.6	L233 I234 Y276 I288	L233-Y260 HydrophobicContact CD1-CD2 4.06Å; L233-Y260 HydrophobicContact CD1-CG 4.48Å; I234-Y260 CarbonylContact O-C 3.54Å; I234-Y260 WeakPolarHBondContact O-CA 3.33Å; Y260-Y276 HydrophobicContact CE1-CD2 4.18Å; Y260-Y276 WeakPolarHBondContact OH-CD2 3.43Å; Y260-I288 HydrophobicContact CE1-CG2 4.12Å; Y260-I288 HydrophobicContact CE2-CG2 4.36Å
261	L	54.1	Low	40.5	Very low	18 Å²	18	69.4 Å²	69.4	9%	0.094	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.7	171.3	-81.5	153.4	0	0	0	109.2	I221 L233 I234 Y236 V272	I221-L261 HydrophobicContact CD1-CB 3.78Å; I221-L261 HydrophobicContact CD1-CD1 3.86Å; I221-L261 HydrophobicContact CD1-CD2 4.18Å; I221-L261 HydrophobicContact CD1-CG 4.15Å; L233-L261 WeakPolarHBondContact CA-O 3.5Å; I234-L261 PolarHBondContact N-O 3.4Å; I234-L261 PolarHBondContact O-N 3.4Å; Y236-L261 HydrophobicContact CE1-CD1 4.13Å; L261-V272 HydrophobicContact CD2-CG1 4.09Å
262	L	53	Low	40.9	Very low	60 Å²	60	67 Å²	67	31%	0.314	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.4	177.8	-172	77	0	0	0	109.6	I232 L233 N264	I232-L262 WeakPolarHBondContact O-CA 3.44Å; L233-L262 HydrophobicContact CB-CD1 4.46Å; L233-L262 HydrophobicContact CD1-CD1 4.24Å; L262-N264 WeakPolarHBondContact CD2-OD1 3.4Å; L262-N264 WeakPolarHBondContact CG-OD1 3.44Å
263	Y	55.6	Low	41	Very low	39 Å²	39	72.5 Å²	72.5	15%	0.153	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	99.9	177.6	179.2	-109.5	0	0	0	111.7	I221 Q225 R229 L230 N231 I232	I221-Y263 HydrophobicContact CG2-CD2 3.91Å; I221-Y263 HydrophobicContact CG2-CG 4.29Å; Q225-Y263 HydrophobicContact CG-CE1 3.99Å; Q225-Y263 HydrophobicContact CG-CE2 3.69Å; Q225-Y263 VanDerWaalsContact CG-OH 3.23Å; Q225-Y263 WeakPolarHBondContact CG-OH 3.21Å; Q225-Y263 PolarHBondContact NE2-OH 3.22Å; R229-Y263 WeakPolarHBondContact O-CE1 3.44Å; L230-Y263 HydrophobicContact CD2-CE1 3.78Å; N231-Y263 WeakPolarHBondContact CA-O 3.4Å; N231-Y263 PolarHBondContact N-O 2.89Å; I232-Y263 PolarHBondContact N-O 3.42Å; I232-Y263 PolarHBondContact O-N 3.24Å
264	N	50.3	Low	41.2	Very low	65 Å²	65	69.6 Å²	69.6	35%	0.348	41%	0.413	S	S	.	.			trans	-96.7	131.5	175.1	-71.5	3.1	0	0	0	110.9	L262 G266	L262-N264 WeakPolarHBondContact CD2-OD1 3.4Å; L262-N264 WeakPolarHBondContact CG-OD1 3.44Å; N264-G266 PolarHBondContact O-N 3.35Å
265	G	39	Very low	41.2	Very low	41 Å²	41	73.1 Å²	73.1	42%	0.423	43%	0.433	S	S	.	.			trans	-73.7	107	177.6	0	0	0	0	0	112.9
266	G	38	Very low	41.2	Very low	57 Å²	57	77.5 Å²	77.5	59%	0.588	45%	0.449	S	S	*	.			trans	-155.4	144.7	172.1	0	0	0	0	0	111.7	N264 T268	N264-G266 PolarHBondContact O-N 3.35Å; G266-T268 PolarHBondContact O-N 3.37Å
267	N	35.2	Very low	41.1	Very low	178 Å²	178	80.4 Å²	80.4	95%	0.952	46%	0.457	S	S	*	.	S	Bend	trans	-67.5	10.9	-170.6	-78.6	-8.6	0	0	0	116
268	T	31.4	Very low	40.8	Very low	134 Å²	134	81 Å²	81	82%	0.822	46%	0.457	S	S	*	.	S	Bend	trans	-139.4	79.1	-171.9	43.1	0	0	0	0	113.3	G266	G266-T268 PolarHBondContact O-N 3.37Å
269	G	34	Very low	40.3	Very low	68 Å²	68	84.9 Å²	84.9	70%	0.701	48%	0.478	S	S	*	.			trans	78.2	153.3	161.7	0	0	0	0	0	116.2	S271	G269-S271 PolarHBondContact O-N 2.87Å
270	I	34	Very low	39.6	Very low	115 Å²	115	90.3 Å²	90.3	59%	0.59	51%	0.506	S	S	*	.			trans	-73.7	95	174.6	-51.7	173.2	0	0	0	108.1	V272	I270-V272 VanDerWaalsContact C-N 3.27Å; I270-V272 HydrophobicContact CG2-CG2 3.65Å; I270-V272 PolarHBondContact O-N 3.04Å
271	S	34.1	Very low	38.9	Very low	75 Å²	75	96.8 Å²	96.8	52%	0.524	54%	0.535	S	S	.	.			trans	-74.6	82.7	170.4	73.6	0	0	0	0	109.9	G269 K273	G269-S271 PolarHBondContact O-N 2.87Å; S271-K273 PolarHBondContact O-N 3.21Å
272	V	36.9	Very low	38.1	Very low	81 Å²	81	101.2 Å²	101.2	49%	0.491	56%	0.555	S	S	.	*			trans	-66.7	81.7	167.7	-174.8	0	0	0	0	108.2	L261 I270 A274	L261-V272 HydrophobicContact CD2-CG1 4.09Å; I270-V272 VanDerWaalsContact C-N 3.27Å; I270-V272 HydrophobicContact CG2-CG2 3.65Å; I270-V272 PolarHBondContact O-N 3.04Å; V272-A274 VanDerWaalsContact C-N 3.3Å; V272-A274 PolarHBondContact O-N 3.44Å
273	K	33.4	Very low	37.4	Very low	147 Å²	147	107.9 Å²	107.9	64%	0.639	58%	0.582	S	S	*	*			trans	-75.6	82.8	-178	-96.5	-174.9	172.3	179.2	0	111	S271	S271-K273 PolarHBondContact O-N 3.21Å
274	A	34.2	Very low	36.7	Very low	50 Å²	50	110.6 Å²	110.6	41%	0.413	60%	0.599	S	S	.	*			trans	62.6	130.7	164.1	0	0	0	0	0	117.8	V272 Y276	V272-A274 VanDerWaalsContact C-N 3.3Å; V272-A274 PolarHBondContact O-N 3.44Å; A274-Y276 VanDerWaalsContact C-N 3.31Å; A274-Y276 HydrophobicContact CB-CD2 3.88Å; A274-Y276 HydrophobicContact CB-CE2 3.63Å; A274-Y276 PolarHBondContact O-N 3.04Å
275	I	33	Very low	36.4	Very low	132 Å²	132	110.5 Å²	110.5	68%	0.677	60%	0.597	S	S	*	*			trans	-72.9	90.8	159	-58	170.4	0	0	0	106.7	K277	I275-K277 VanDerWaalsContact C-N 3.33Å; I275-K277 PolarHBondContact O-N 3.16Å
276	Y	34.8	Very low	36.4	Very low	106 Å²	106	111.5 Å²	111.5	42%	0.416	60%	0.595	S	S	.	*			trans	-72.1	94.3	167.5	-75.1	-84.9	0	0	0	109	Y260 A274 W278	Y260-Y276 HydrophobicContact CE1-CD2 4.18Å; Y260-Y276 WeakPolarHBondContact OH-CD2 3.43Å; A274-Y276 VanDerWaalsContact C-N 3.31Å; A274-Y276 HydrophobicContact CB-CD2 3.88Å; A274-Y276 HydrophobicContact CB-CE2 3.63Å; A274-Y276 PolarHBondContact O-N 3.04Å; Y276-W278 PolarHBondContact O-N 3.45Å; Y276-W278 VanDerWaalsContact O-N 3.08Å
277	K	37.3	Very low	36.5	Very low	148 Å²	148	112.2 Å²	112.2	64%	0.643	59%	0.586	S	S	*	*			trans	-61.9	109.7	162	-153.7	176.9	-169.4	179.5	0	106.4	I275 N279	I275-K277 VanDerWaalsContact C-N 3.33Å; I275-K277 PolarHBondContact O-N 3.16Å; K277-N279 PolarHBondContact O-N 3.5Å
278	W	38.4	Very low	36.9	Very low	89 Å²	89	107 Å²	107	34%	0.337	56%	0.557	S	S	.	*			trans	-57.4	111.3	-170.2	179.8	10.7	0	0	0	109	F254 T255 L258 Y276	F254-W278 HydrophobicContact CB-CH2 3.88Å; F254-W278 HydrophobicContact CB-CZ3 3.81Å; F254-W278 VanDerWaalsContact O-CZ3 3.24Å; F254-W278 WeakPolarHBondContact O-CZ3 3.3Å; T255-W278 WeakPolarHBondContact CB-O 3.49Å; T255-W278 HydrophobicContact CG2-CD2 3.96Å; T255-W278 HydrophobicContact CG2-CG 4Å; T255-W278 CarbonylContact O-C 3.51Å; T255-W278 VanDerWaalsContact O-CB 3.3Å; T255-W278 WeakPolarHBondContact O-CB 3.32Å; L258-W278 HydrophobicContact CD1-CE3 4.12Å; L258-W278 HydrophobicContact CD1-CZ3 3.76Å; Y276-W278 PolarHBondContact O-N 3.45Å; Y276-W278 VanDerWaalsContact O-N 3.08Å
279	N	35	Very low	37.4	Very low	118 Å²	118	103.2 Å²	103.2	63%	0.631	53%	0.532	S	S	*	.			trans	-109.7	136	-165.2	-143.3	-17.7	0	0	0	109.1	K277 K281 E282	K277-N279 PolarHBondContact O-N 3.5Å; N279-K281 PolarHBondContact O-N 2.99Å; N279-E282 PolarHBondContact O-N 2.93Å
280	N	36.7	Very low	37.7	Very low	121 Å²	121	107.2 Å²	107.2	65%	0.647	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-0.7	-169.9	-84.6	1.7	0	0	0	116.4	T255	T255-N280 WeakPolarHBondContact CG2-OD1 3.44Å; T255-N280 PolarHBondContact OG1-OD1 3.14Å
281	K	38.5	Very low	38	Very low	191 Å²	191	105.7 Å²	105.7	83%	0.83	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-22.3	179.7	-68.8	-173.8	175.1	-177.9	0	114.3	N279	N279-K281 PolarHBondContact O-N 2.99Å
282	E	38.1	Very low	38.2	Very low	110 Å²	110	104.1 Å²	104.1	51%	0.514	52%	0.52	S	S	.	.			trans	-104.7	86.7	-174.9	-69.2	-179	179.1	0	0	110.8	N279 N284	N279-E282 PolarHBondContact O-N 2.93Å; E282-N284 PolarHBondContact O-N 3.42Å; E282-N284 VanDerWaalsContact O-N 3.1Å
283	K	37.7	Very low	38.6	Very low	201 Å²	201	108.8 Å²	108.8	87%	0.874	54%	0.542	S	S	*	.			trans	-72.5	7.7	-175.6	-79.2	-170.5	171.8	-174.4	0	115.6
284	N	41.5	Very low	39.3	Very low	96 Å²	96	104.1 Å²	104.1	51%	0.513	53%	0.525	S	S	.	.			trans	-133.1	106.7	-166.7	-109.6	-2.9	0	0	0	112.2	E282 T286 N287	E282-N284 PolarHBondContact O-N 3.42Å; E282-N284 VanDerWaalsContact O-N 3.1Å; N284-T286 VanDerWaalsContact CB-OG1 3.28Å; N284-T286 WeakPolarHBondContact CB-OG1 3.36Å; N284-T286 PolarHBondContact ND2-OG1 3.05Å; N284-T286 PolarHBondContact O-N 3.15Å; N284-T286 VanDerWaalsContact O-N 3.15Å; N284-N287 PolarHBondContact O-N 2.97Å; N284-N287 VanDerWaalsContact O-N 3.08Å
285	I	42.5	Very low	40.1	Very low	62 Å²	62	108.6 Å²	108.6	32%	0.318	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.9	167.5	-74.6	173.4	0	0	0	111.2	N287 I288 Y314 W318	I285-N287 PolarHBondContact O-N 3.36Å; I285-I288 PolarHBondContact O-N 2.63Å; I285-Y314 HydrophobicContact CD1-CD1 3.97Å; I285-Y314 HydrophobicContact CD1-CG 4.38Å; I285-W318 HydrophobicContact CG2-CD2 3.99Å; I285-W318 HydrophobicContact CG2-CG 4.42Å; I285-W318 HydrophobicContact CG2-CH2 4.01Å; I285-W318 HydrophobicContact CG2-CZ2 3.29Å
286	T	40.3	Very low	41.2	Very low	62 Å²	62	103.7 Å²	103.7	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-57.6	-27.7	175	49.4	0	0	0	0	114.5	N284 Q290	N284-T286 VanDerWaalsContact CB-OG1 3.28Å; N284-T286 WeakPolarHBondContact CB-OG1 3.36Å; N284-T286 PolarHBondContact ND2-OG1 3.05Å; N284-T286 PolarHBondContact O-N 3.15Å; N284-T286 VanDerWaalsContact O-N 3.15Å; T286-Q290 WeakPolarHBondContact O-CG 3.45Å; T286-Q290 PolarHBondContact O-N 2.86Å; T286-Q290 VanDerWaalsContact O-N 3.15Å
287	N	40.6	Very low	42	Very low	72 Å²	72	101 Å²	101	39%	0.385	51%	0.514	S	S	.	.	H	α-helix	trans	-73.5	-26.4	179.5	-75.4	11.9	0	0	0	113	N284 I285	N284-N287 PolarHBondContact O-N 2.97Å; N284-N287 VanDerWaalsContact O-N 3.08Å; I285-N287 PolarHBondContact O-N 3.36Å
288	I	43.5	Very low	42.8	Very low	68 Å²	68	94.4 Å²	94.4	35%	0.349	49%	0.487	S	S	.	.	H	α-helix	trans	-72.2	-32.1	-177.6	-64.7	174.5	0	0	0	111.1	Y260 I285	Y260-I288 HydrophobicContact CE1-CG2 4.12Å; Y260-I288 HydrophobicContact CE2-CG2 4.36Å; I285-I288 PolarHBondContact O-N 2.63Å
289	L	40.7	Very low	43.8	Very low	56 Å²	56	90.3 Å²	90.3	29%	0.293	47%	0.472	S	S	.	.	H	α-helix	trans	-97.7	-7.1	174.4	-68.9	-171.8	0	0	0	115.2	I291 I296 W318	L289-I291 PolarHBondContact O-N 3.3Å; L289-I296 HydrophobicContact CD1-CD1 4.17Å; L289-I296 HydrophobicContact CD2-CD1 3.78Å; L289-W318 HydrophobicContact CB-CZ2 4.09Å; L289-W318 HydrophobicContact CD1-CD2 4.15Å; L289-W318 HydrophobicContact CD1-CE3 4.22Å; L289-W318 HydrophobicContact CD1-CH2 3.37Å; L289-W318 HydrophobicContact CD1-CZ2 3.23Å; L289-W318 HydrophobicContact CD1-CZ3 3.84Å; L289-W318 HydrophobicContact CD2-CH2 4.26Å; L289-W318 HydrophobicContact CD2-CZ2 4.49Å; L289-W318 HydrophobicContact CG-CH2 3.5Å; L289-W318 HydrophobicContact CG-CZ2 3.32Å; L289-W318 HydrophobicContact CG-CZ3 4.42Å
290	Q	40.6	Very low	45.2	Very low	152 Å²	152	85.1 Å²	85.1	71%	0.71	44%	0.444	S	S	*	.	S	Bend	trans	-71.1	-7	165.7	-82.8	-175.8	-10.9	0	0	113	T286 G292	T286-Q290 WeakPolarHBondContact O-CG 3.45Å; T286-Q290 PolarHBondContact O-N 2.86Å; T286-Q290 VanDerWaalsContact O-N 3.15Å; Q290-G292 PolarHBondContact O-N 3.01Å
291	I	40.5	Very low	46.4	Very low	83 Å²	83	79.5 Å²	79.5	43%	0.426	41%	0.414	S	S	.	.	S	Bend	trans	-80.4	59.3	173.5	-48.8	178.5	0	0	0	110.5	L289	L289-I291 PolarHBondContact O-N 3.3Å
292	G	37.4	Very low	47.6	Very low	41 Å²	41	71.1 Å²	71.1	42%	0.423	38%	0.378	S	S	.	.			trans	108.2	133.2	171	0	0	0	0	0	114.7	Q290 V294	Q290-G292 PolarHBondContact O-N 3.01Å; G292-V294 VanDerWaalsContact C-N 3.29Å; G292-V294 PolarHBondContact O-N 3.09Å
293	N	45.2	Very low	48.7	Very low	180 Å²	180	66.2 Å²	66.2	96%	0.963	36%	0.357	S	S	*	.			trans	-64.6	82.1	170.2	-65.2	-13	0	0	0	110.5
294	V	49.6	Very low	49.8	Very low	48 Å²	48	61 Å²	61	29%	0.291	34%	0.335	S	S	.	.			trans	-127.5	110.6	-176	-176.5	0	0	0	0	109.9	N231 G292 I296	N231-V294 HydrophobicContact CB-CG1 3.91Å; N231-V294 VanDerWaalsContact CG-CG1 3.42Å; N231-V294 WeakPolarHBondContact ND2-CG1 3.48Å; G292-V294 VanDerWaalsContact C-N 3.29Å; G292-V294 PolarHBondContact O-N 3.09Å; V294-I296 PolarHBondContact O-N 3.04Å
295	D	50.6	Low	50.8	Low	145 Å²	145	56.4 Å²	56.4	78%	0.775	31%	0.311	S	S	*	.			trans	-65.4	113.7	174.5	-67.3	-38.1	0	0	0	110.4	N231	N231-D295 WeakPolarHBondContact CB-O 3.26Å; N231-D295 PolarHBondContact ND2-O 2.91Å
296	I	55.4	Low	51.5	Low	28 Å²	28	56.7 Å²	56.7	14%	0.144	32%	0.319	C	S	.	.			trans	-77.4	121.3	179.7	-62.5	171.5	0	0	0	109.3	N231 L233 L289 V294 A298 I322	N231-I296 CarbonylContact O-C 3.58Å; N231-I296 WeakPolarHBondContact O-CA 3.33Å; L233-I296 HydrophobicContact CB-CG2 4.22Å; L233-I296 HydrophobicContact CD2-CD1 4.32Å; L289-I296 HydrophobicContact CD1-CD1 4.17Å; L289-I296 HydrophobicContact CD2-CD1 3.78Å; V294-I296 PolarHBondContact O-N 3.04Å; I296-A298 WeakPolarHBondContact CG2-O 3.37Å; I296-I322 HydrophobicContact CD1-CD1 4.45Å
297	S	52.1	Low	52.6	Low	50 Å²	50	55.6 Å²	55.6	35%	0.35	31%	0.309	S	S	.	.			trans	-88.1	-25	-177.3	72.1	0	0	0	0	114	L230 N231 T325	L230-S297 WeakPolarHBondContact O-CB 3.27Å; L230-S297 PolarHBondContact O-OG 3.37Å; N231-S297 PolarHBondContact O-N 3.01Å; N231-S297 PolarHBondContact O-OG 3.04Å; S297-T325 VanDerWaalsContact O-CB 3.31Å; S297-T325 WeakPolarHBondContact O-CB 3.17Å; S297-T325 WeakPolarHBondContact O-CG2 3.33Å
298	A	53.7	Low	53.6	Low	9 Å²	9	52.8 Å²	52.8	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	146.5	176.8	0	0	0	0	0	112.1	I232 L233 I296 T325	I232-A298 WeakPolarHBondContact CA-O 3.13Å; I232-A298 HydrophobicContact CG1-CB 4.35Å; I232-A298 HydrophobicContact CG2-CB 4.26Å; L233-A298 PolarHBondContact N-O 3.36Å; I296-A298 WeakPolarHBondContact CG2-O 3.37Å; A298-T325 WeakPolarHBondContact CA-O 3.3Å
299	C	60.7	Low	54.2	Low	3 Å²	3	50.6 Å²	50.6	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.9	172.8	-174.6	0	0	0	0	110.3	L233 T325 I326 M327	L233-C299 CarbonylContact O-C 3.54Å; L233-C299 VanDerWaalsContact O-CA 3.31Å; L233-C299 WeakPolarHBondContact O-CA 3.23Å; C299-T325 PolarHBondContact N-O 2.79Å; C299-I326 HydrophobicContact CB-CB 4.45Å; C299-I326 HydrophobicContact CB-CG1 4.16Å; C299-I326 HydrophobicContact CB-CG2 4.17Å; C299-I326 CarbonylContact O-C 3.33Å; C299-I326 WeakPolarHBondContact O-CA 3.3Å; C299-M327 PolarHBondContact O-N 3.21Å
300	I	63.6	Low	55	Low	10 Å²	10	50.3 Å²	50.3	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.5	178.1	-57.1	177.8	0	0	0	109.1	L220 L224 L233 I234 I235 I302 M327 I329	L220-I300 HydrophobicContact CD2-CD1 4.24Å; L224-I300 HydrophobicContact CD1-CD1 3.9Å; L233-I300 PolarHBondContact O-N 3.3Å; I234-I300 CarbonylContact C-O 3.4Å; I234-I300 WeakPolarHBondContact CA-O 3.16Å; I234-I300 HydrophobicContact CG1-CB 4.38Å; I235-I300 PolarHBondContact N-O 3.07Å; I300-I302 HydrophobicContact CG2-CG1 4.4Å; I300-M327 WeakPolarHBondContact CA-O 3.21Å; I300-I329 HydrophobicContact CG2-CD1 4.28Å
301	V	62.6	Low	56.1	Low	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.6	-179.1	-177.9	0	0	0	0	111.1	I235 A303 L311 I326 M327 F328 I329	I235-V301 HydrophobicContact CB-CG2 4.37Å; I235-V301 HydrophobicContact CD1-CG2 4.4Å; I235-V301 WeakPolarHBondContact O-CA 3.4Å; V301-A303 HydrophobicContact CG1-CB 4.37Å; V301-L311 HydrophobicContact CB-CD2 4.39Å; V301-L311 HydrophobicContact CG1-CD2 3.45Å; V301-L311 VanDerWaalsContact CG1-CD2 3.45Å; V301-L311 HydrophobicContact CG2-CD2 4.01Å; V301-I326 HydrophobicContact CG2-CG2 4.2Å; V301-M327 PolarHBondContact N-O 3.4Å; V301-F328 HydrophobicContact CB-CD1 3.5Å; V301-F328 VanDerWaalsContact CB-CD1 3.5Å; V301-F328 HydrophobicContact CB-CE1 3.55Å; V301-F328 HydrophobicContact CB-CG 4.27Å; V301-F328 HydrophobicContact CB-CZ 4.33Å; V301-F328 HydrophobicContact CG1-CD1 3.8Å; V301-F328 HydrophobicContact CG1-CE1 3.55Å; V301-F328 HydrophobicContact CG2-CD1 4.09Å; V301-F328 HydrophobicContact CG2-CE1 3.79Å; V301-F328 HydrophobicContact CG2-CZ 4.06Å; V301-I329 PolarHBondContact O-N 3.15Å
302	I	63.5	Low	57.1	Low	16 Å²	16	40.3 Å²	40.3	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	99.4	179.8	-53.7	175.4	0	0	0	109.8	L216 L220 I235 Y236 D237 I300 I329 Y331	L216-I302 HydrophobicContact CD2-CD1 4.28Å; L220-I302 HydrophobicContact CD1-CD1 4.3Å; I235-I302 PolarHBondContact O-N 3.26Å; Y236-I302 WeakPolarHBondContact CA-O 3.34Å; D237-I302 PolarHBondContact N-O 2.82Å; I300-I302 HydrophobicContact CG2-CG1 4.4Å; I302-I329 HydrophobicContact CG1-CB 4.48Å; I302-I329 HydrophobicContact CG1-CD1 4.36Å; I302-Y331 HydrophobicContact CG2-CD1 4.48Å; I302-Y331 HydrophobicContact CG2-CE1 4.17Å
303	A	60.5	Low	58.2	Low	7 Å²	7	42.4 Å²	42.4	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	167.3	-173.5	0	0	0	0	0	113.4	V301 F307 I329 A330 Y331	V301-A303 HydrophobicContact CG1-CB 4.37Å; A303-F307 HydrophobicContact CB-CB 4.14Å; A303-F307 HydrophobicContact CB-CD1 4.21Å; A303-I329 PolarHBondContact N-O 3.28Å; A303-A330 WeakPolarHBondContact O-CA 3.46Å; A303-Y331 VanDerWaalsContact C-CE1 3.42Å; A303-Y331 VanDerWaalsContact O-CD1 3.31Å; A303-Y331 WeakPolarHBondContact O-CD1 3.34Å; A303-Y331 WeakPolarHBondContact O-CE1 3.15Å; A303-Y331 PolarHBondContact O-N 2.6Å
304	Q	61.5	Low	58.8	Low	90 Å²	90	39.3 Å²	39.3	42%	0.421	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	152.4	169.9	-70.1	-177.6	-26.9	0	0	111.6	S306 F307 Y308 Y331	Q304-S306 PolarHBondContact O-N 3.25Å; Q304-F307 WeakPolarHBondContact O-CB 3.38Å; Q304-F307 PolarHBondContact O-N 3.43Å; Q304-Y308 PolarHBondContact O-N 2.9Å; Q304-Y331 WeakPolarHBondContact CA-O 3.44Å; Q304-Y331 HydrophobicContact CG-CE2 4.12Å
305	L	61.9	Low	59.2	Low	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-30.7	-178.8	-156.7	76.9	0	0	0	113	F307 Y308 A330 D332 L335 V343 W344 V364	L305-F307 VanDerWaalsContact C-N 3.31Å; L305-Y308 WeakPolarHBondContact O-CB 3.37Å; L305-A330 HydrophobicContact CD1-CB 3.64Å; L305-D332 HydrophobicContact CB-CB 4.03Å; L305-L335 HydrophobicContact CD2-CD1 3.51Å; L305-V343 HydrophobicContact CD2-CB 4.42Å; L305-V343 HydrophobicContact CD2-CG1 3.93Å; L305-W344 HydrophobicContact CD1-CE3 3.59Å; L305-W344 HydrophobicContact CD1-CZ3 3.46Å; L305-W344 VanDerWaalsContact CD1-CZ3 3.46Å; L305-W344 HydrophobicContact CG-CE3 4.14Å; L305-W344 HydrophobicContact CG-CZ3 4.3Å; L305-V364 HydrophobicContact CD1-CG1 3.82Å; L305-V364 HydrophobicContact CD1-CG2 3.9Å
306	S	58.2	Low	59.5	Low	69 Å²	69	33.4 Å²	33.4	48%	0.483	17%	0.172	S	C	.	.	H	α-helix	trans	-65.5	-29.2	173.2	54.5	0	0	0	0	114	Q304	Q304-S306 PolarHBondContact O-N 3.25Å
307	F	61.4	Low	59.5	Low	39 Å²	39	39.7 Å²	39.7	17%	0.171	20%	0.201	C	C	.	.	H	α-helix	trans	-87.5	-29.2	-176.1	-146.2	-101.7	0	0	0	111.8	L258 A303 Q304 L305 S309 T310 L311	L258-F307 HydrophobicContact CD1-CE1 3.84Å; L258-F307 HydrophobicContact CD1-CZ 4.2Å; L258-F307 HydrophobicContact CD2-CE1 4.13Å; L258-F307 HydrophobicContact CG-CE1 3.91Å; L258-F307 HydrophobicContact CG-CZ 4.28Å; A303-F307 HydrophobicContact CB-CB 4.14Å; A303-F307 HydrophobicContact CB-CD1 4.21Å; Q304-F307 WeakPolarHBondContact O-CB 3.38Å; Q304-F307 PolarHBondContact O-N 3.43Å; L305-F307 VanDerWaalsContact C-N 3.31Å; F307-S309 PolarHBondContact O-N 3.36Å; F307-T310 PolarHBondContact O-N 3.25Å; F307-L311 HydrophobicContact CE1-CD1 4.41Å; F307-L311 PolarHBondContact O-N 3.24Å; F307-L311 VanDerWaalsContact O-N 3.14Å
308	Y	62.1	Low	59.7	Low	13 Å²	13	40.9 Å²	40.9	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-54.5	-50.8	-177.8	178.7	-84.7	0	0	0	114.1	Q304 L305 T310 L311 L312 F328 W344 A362	Q304-Y308 PolarHBondContact O-N 2.9Å; L305-Y308 WeakPolarHBondContact O-CB 3.37Å; Y308-T310 PolarHBondContact O-N 3.42Å; Y308-L311 PolarHBondContact O-N 3.32Å; Y308-L312 HydrophobicContact CD1-CD1 3.96Å; Y308-L312 HydrophobicContact CD1-CG 4.49Å; Y308-L312 HydrophobicContact CE1-CD1 3.2Å; Y308-L312 HydrophobicContact CE1-CG 4Å; Y308-L312 PolarHBondContact O-N 3.28Å; Y308-F328 AromaticContact CD2-CD1 3.3Å; Y308-F328 HydrophobicContact CD2-CD1 3.3Å; Y308-F328 AromaticContact CD2-CE1 3.38Å; Y308-F328 HydrophobicContact CD2-CE1 3.38Å; Y308-F328 HydrophobicContact CD2-CG 4.01Å; Y308-F328 HydrophobicContact CD2-CZ 4.18Å; Y308-F328 HydrophobicContact CE2-CB 3.74Å; Y308-F328 AromaticContact CE2-CD1 3.11Å; Y308-F328 HydrophobicContact CE2-CD1 3.11Å; Y308-F328 AromaticContact CE2-CD2 3.79Å; Y308-F328 HydrophobicContact CE2-CD2 3.79Å; Y308-F328 AromaticContact CE2-CE1 3.39Å; Y308-F328 HydrophobicContact CE2-CE1 3.39Å; Y308-F328 HydrophobicContact CE2-CE2 4.05Å; Y308-F328 AromaticContact CE2-CG 3.31Å; Y308-F328 HydrophobicContact CE2-CG 3.31Å; Y308-F328 AromaticContact CE2-CZ 3.86Å; Y308-F328 HydrophobicContact CE2-CZ 3.86Å; Y308-F328 HydrophobicContact CG-CE1 4.31Å; Y308-W344 AromaticContact CD1-CH2 3.74Å; Y308-W344 HydrophobicContact CD1-CH2 3.74Å; Y308-W344 AromaticContact CD1-CZ3 3.59Å; Y308-W344 HydrophobicContact CD1-CZ3 3.59Å; Y308-W344 HydrophobicContact CD2-CH2 4.12Å; Y308-W344 HydrophobicContact CD2-CZ3 4.26Å; Y308-W344 AromaticContact CE1-CH2 3.22Å; Y308-W344 HydrophobicContact CE1-CH2 3.22Å; Y308-W344 AromaticContact CE1-CZ2 3.93Å; Y308-W344 HydrophobicContact CE1-CZ2 3.93Å; Y308-W344 AromaticContact CE1-CZ3 3.57Å; Y308-W344 HydrophobicContact CE1-CZ3 3.57Å; Y308-W344 AromaticContact CE2-CH2 3.62Å; Y308-W344 HydrophobicContact CE2-CH2 3.62Å; Y308-W344 HydrophobicContact CE2-CZ3 4.21Å; Y308-W344 HydrophobicContact CG-CH2 4.2Å; Y308-W344 AromaticContact CG-CZ3 3.98Å; Y308-W344 HydrophobicContact CG-CZ3 3.98Å; Y308-W344 AromaticContact CZ-CH2 3.2Å; Y308-W344 AromaticContact CZ-CZ2 3.91Å; Y308-W344 AromaticContact CZ-CZ3 3.95Å; Y308-A362 HydrophobicContact CE2-CB 4.35Å
309	S	56.4	Low	59.7	Low	22 Å²	22	43.3 Å²	43.3	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-32.6	-175.2	59.4	0	0	0	0	112.8	F307	F307-S309 PolarHBondContact O-N 3.36Å
310	T	58.3	Low	59.4	Low	49 Å²	49	48.9 Å²	48.9	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-78.3	-40	178.1	-47.7	0	0	0	0	110.8	F254 F307 Y308 L312 K313 Y314	F254-T310 HydrophobicContact CE1-CG2 3.64Å; F254-T310 HydrophobicContact CZ-CG2 3.89Å; F307-T310 PolarHBondContact O-N 3.25Å; Y308-T310 PolarHBondContact O-N 3.42Å; T310-L312 PolarHBondContact O-N 2.62Å; T310-K313 PolarHBondContact O-N 3.47Å; T310-Y314 HydrophobicContact CG2-CD2 4.39Å; T310-Y314 HydrophobicContact CG2-CE2 4.11Å; T310-Y314 WeakPolarHBondContact O-CD2 3.38Å; T310-Y314 PolarHBondContact O-N 2.95Å
311	L	63.1	Low	58.6	Low	22 Å²	22	53.6 Å²	53.6	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-41.2	177.3	-150.8	86	0	0	0	111.9	L258 V301 F307 Y308 K313 Y314 I315 F328	L258-L311 HydrophobicContact CD1-CD1 4.11Å; L258-L311 HydrophobicContact CD2-CD1 4.49Å; V301-L311 HydrophobicContact CB-CD2 4.39Å; V301-L311 HydrophobicContact CG1-CD2 3.45Å; V301-L311 VanDerWaalsContact CG1-CD2 3.45Å; V301-L311 HydrophobicContact CG2-CD2 4.01Å; F307-L311 HydrophobicContact CE1-CD1 4.41Å; F307-L311 PolarHBondContact O-N 3.24Å; F307-L311 VanDerWaalsContact O-N 3.14Å; Y308-L311 PolarHBondContact O-N 3.32Å; L311-K313 PolarHBondContact O-N 3.41Å; L311-Y314 PolarHBondContact O-N 2.92Å; L311-I315 HydrophobicContact CD2-CD1 3.82Å; L311-I315 HydrophobicContact CG-CD1 3.94Å; L311-I315 WeakPolarHBondContact O-CG1 2.97Å; L311-I315 PolarHBondContact O-N 2.88Å; L311-F328 HydrophobicContact CD2-CE1 4.45Å
312	L	61.5	Low	58.2	Low	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-43.4	175.8	-93.2	-178.9	0	0	0	113.1	Y308 T310 Y314 I315 Y316 F328 I351 L358	Y308-L312 HydrophobicContact CD1-CD1 3.96Å; Y308-L312 HydrophobicContact CD1-CG 4.49Å; Y308-L312 HydrophobicContact CE1-CD1 3.2Å; Y308-L312 HydrophobicContact CE1-CG 4Å; Y308-L312 PolarHBondContact O-N 3.28Å; T310-L312 PolarHBondContact O-N 2.62Å; L312-Y314 VanDerWaalsContact C-N 3.27Å; L312-Y314 PolarHBondContact O-N 3.23Å; L312-I315 PolarHBondContact O-N 3.25Å; L312-Y316 VanDerWaalsContact O-CB 3.32Å; L312-Y316 WeakPolarHBondContact O-CB 3.49Å; L312-Y316 PolarHBondContact O-N 2.93Å; L312-F328 HydrophobicContact CD2-CE2 3.86Å; L312-F328 HydrophobicContact CD2-CZ 4.03Å; L312-F328 HydrophobicContact CG-CE2 4.33Å; L312-F328 HydrophobicContact CG-CZ 4.09Å; L312-I351 HydrophobicContact CD1-CD1 4Å; L312-L358 HydrophobicContact CD2-CD1 4.21Å; L312-L358 HydrophobicContact CD2-CD2 4.15Å
313	K	59.8	Low	57.5	Low	84 Å²	84	54.5 Å²	54.5	37%	0.365	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-38.1	177.8	-89.6	-173.4	176.4	177.6	0	112.3	T310 L311 Q317 N350 I351	T310-K313 PolarHBondContact O-N 3.47Å; L311-K313 PolarHBondContact O-N 3.41Å; K313-Q317 WeakPolarHBondContact O-CG 3.43Å; K313-Q317 PolarHBondContact O-N 3.33Å; K313-N350 VanDerWaalsContact CE-O 3.27Å; K313-N350 WeakPolarHBondContact CE-O 3.49Å; K313-N350 PolarHBondContact NZ-O 2.96Å; K313-I351 HydrophobicContact CG-CG2 3.84Å
314	Y	58.7	Low	56.9	Low	115 Å²	115	61.7 Å²	61.7	45%	0.451	30%	0.295	S	S	.	.	H	α-helix	trans	-75	-39.5	177.6	-77.7	-70.2	0	0	0	113.2	I285 T310 L311 L312 Q317	I285-Y314 HydrophobicContact CD1-CD1 3.97Å; I285-Y314 HydrophobicContact CD1-CG 4.38Å; T310-Y314 HydrophobicContact CG2-CD2 4.39Å; T310-Y314 HydrophobicContact CG2-CE2 4.11Å; T310-Y314 WeakPolarHBondContact O-CD2 3.38Å; T310-Y314 PolarHBondContact O-N 2.95Å; L311-Y314 PolarHBondContact O-N 2.92Å; L312-Y314 VanDerWaalsContact C-N 3.27Å; L312-Y314 PolarHBondContact O-N 3.23Å; Y314-Q317 PolarHBondContact O-N 2.68Å
315	I	58	Low	56.4	Low	12 Å²	12	60.1 Å²	60.1	6%	0.062	29%	0.291	C	S	.	.	H	α-helix	trans	-70.3	-37.4	179.7	-62.7	166.2	0	0	0	111.1	L311 L312 Q317 W318 I322 L323 I326	L311-I315 HydrophobicContact CD2-CD1 3.82Å; L311-I315 HydrophobicContact CG-CD1 3.94Å; L311-I315 WeakPolarHBondContact O-CG1 2.97Å; L311-I315 PolarHBondContact O-N 2.88Å; L312-I315 PolarHBondContact O-N 3.25Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 2.81Å; I315-W318 VanDerWaalsContact O-CB 3.25Å; I315-W318 WeakPolarHBondContact O-CB 3.3Å; I315-W318 PolarHBondContact O-N 3.42Å; I315-I322 HydrophobicContact CG2-CG2 4.49Å; I315-L323 HydrophobicContact CG2-CD2 3.83Å; I315-I326 HydrophobicContact CG2-CD1 3.59Å
316	Y	55.9	Low	55.9	Low	58 Å²	58	60.4 Å²	60.4	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-30.3	177.2	-175.9	-88.2	0	0	0	113.5	L312 W318 Q320 L323 Y355	L312-Y316 VanDerWaalsContact O-CB 3.32Å; L312-Y316 WeakPolarHBondContact O-CB 3.49Å; L312-Y316 PolarHBondContact O-N 2.93Å; Y316-W318 PolarHBondContact O-N 2.83Å; Y316-Q320 PolarHBondContact OH-NE2 3.36Å; Y316-L323 HydrophobicContact CD2-CD1 3.41Å; Y316-L323 VanDerWaalsContact CD2-CD1 3.41Å; Y316-L323 HydrophobicContact CE2-CD1 4.03Å; Y316-L323 HydrophobicContact CG-CD1 4.22Å; Y316-Y355 HydrophobicContact CD1-CE1 4.17Å; Y316-Y355 WeakPolarHBondContact CD1-OH 3.47Å; Y316-Y355 AromaticContact CD2-CD1 3.91Å; Y316-Y355 HydrophobicContact CD2-CD1 3.91Å; Y316-Y355 AromaticContact CD2-CE1 3.31Å; Y316-Y355 HydrophobicContact CD2-CE1 3.31Å; Y316-Y355 AromaticContact CD2-CZ 3.96Å; Y316-Y355 HydrophobicContact CE2-CD1 4.36Å; Y316-Y355 AromaticContact CE2-CE1 3.92Å; Y316-Y355 HydrophobicContact CE2-CE1 3.92Å; Y316-Y355 HydrophobicContact CG-CD1 4.47Å; Y316-Y355 AromaticContact CG-CE1 3.47Å; Y316-Y355 HydrophobicContact CG-CE1 3.47Å; Y316-Y355 VanDerWaalsContact CG-CE1 3.47Å; Y316-Y355 AromaticContact CG-CZ 3.89Å
317	Q	55.5	Low	55.7	Low	159 Å²	159	58.4 Å²	58.4	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.7	172.2	-75.1	-177.2	-17	0	0	113.7	K313 Y314 I315	K313-Q317 WeakPolarHBondContact O-CG 3.43Å; K313-Q317 PolarHBondContact O-N 3.33Å; Y314-Q317 PolarHBondContact O-N 2.68Å; I315-Q317 VanDerWaalsContact C-N 3.29Å; I315-Q317 PolarHBondContact O-N 2.81Å
318	W	57.1	Low	55.5	Low	76 Å²	76	56.7 Å²	56.7	29%	0.288	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-54.6	-166.4	-153.8	23.7	0	0	0	113.6	I285 L289 I315 Y316	I285-W318 HydrophobicContact CG2-CD2 3.99Å; I285-W318 HydrophobicContact CG2-CG 4.42Å; I285-W318 HydrophobicContact CG2-CH2 4.01Å; I285-W318 HydrophobicContact CG2-CZ2 3.29Å; L289-W318 HydrophobicContact CB-CZ2 4.09Å; L289-W318 HydrophobicContact CD1-CD2 4.15Å; L289-W318 HydrophobicContact CD1-CE3 4.22Å; L289-W318 HydrophobicContact CD1-CH2 3.37Å; L289-W318 HydrophobicContact CD1-CZ2 3.23Å; L289-W318 HydrophobicContact CD1-CZ3 3.84Å; L289-W318 HydrophobicContact CD2-CH2 4.26Å; L289-W318 HydrophobicContact CD2-CZ2 4.49Å; L289-W318 HydrophobicContact CG-CH2 3.5Å; L289-W318 HydrophobicContact CG-CZ2 3.32Å; L289-W318 HydrophobicContact CG-CZ3 4.42Å; I315-W318 VanDerWaalsContact O-CB 3.25Å; I315-W318 WeakPolarHBondContact O-CB 3.3Å; I315-W318 PolarHBondContact O-N 3.42Å; Y316-W318 PolarHBondContact O-N 2.83Å
319	D	54.1	Low	55.2	Low	60 Å²	60	56.8 Å²	56.8	32%	0.321	27%	0.27	S	S	.	.			trans	-159.7	130.1	172.3	-179	10.8	0	0	0	110.5	N321 I322	D319-N321 VanDerWaalsContact C-N 3.29Å; D319-N321 PolarHBondContact O-N 3.26Å; D319-N321 PolarHBondContact OD1-N 3.32Å; D319-N321 PolarHBondContact OD1-ND2 3.33Å; D319-I322 HydrophobicContact CB-CB 4.26Å; D319-I322 HydrophobicContact CB-CD1 3.94Å; D319-I322 HydrophobicContact CB-CG1 4Å
320	Q	52.9	Low	55.1	Low	119 Å²	119	55.8 Å²	55.8	56%	0.556	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.5	175.6	-72.1	-154	-23.6	0	0	113.9	Y316 L323	Y316-Q320 PolarHBondContact OH-NE2 3.36Å; Q320-L323 HydrophobicContact CG-CD1 4.43Å
321	N	48.5	Very low	55.1	Low	110 Å²	110	56.1 Å²	56.1	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-38.9	176.4	-63.5	-55.8	0	0	0	112.1	D319 L323 K324	D319-N321 VanDerWaalsContact C-N 3.29Å; D319-N321 PolarHBondContact O-N 3.26Å; D319-N321 PolarHBondContact OD1-N 3.32Å; D319-N321 PolarHBondContact OD1-ND2 3.33Å; N321-L323 PolarHBondContact O-N 3.28Å; N321-K324 PolarHBondContact O-N 3.22Å; N321-K324 VanDerWaalsContact O-N 3.14Å
322	I	52.8	Low	54.6	Low	22 Å²	22	55.9 Å²	55.9	11%	0.113	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57	-34.9	174.7	-69.7	176.4	0	0	0	111.4	I296 I315 D319 K324 T325 I326	I296-I322 HydrophobicContact CD1-CD1 4.45Å; I315-I322 HydrophobicContact CG2-CG2 4.49Å; D319-I322 HydrophobicContact CB-CB 4.26Å; D319-I322 HydrophobicContact CB-CD1 3.94Å; D319-I322 HydrophobicContact CB-CG1 4Å; I322-K324 PolarHBondContact O-N 3.04Å; I322-K324 VanDerWaalsContact O-N 3.12Å; I322-T325 PolarHBondContact O-N 3.16Å; I322-T325 VanDerWaalsContact O-N 3.09Å; I322-T325 PolarHBondContact O-OG1 3.46Å; I322-T325 VanDerWaalsContact O-OG1 3.13Å; I322-I326 HydrophobicContact CG2-CD1 4.2Å; I322-I326 HydrophobicContact CG2-CG1 4.34Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å
323	L	48.8	Very low	54	Low	15 Å²	15	59.8 Å²	59.8	8%	0.079	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.1	-25.3	178.9	-64.4	172.5	0	0	0	114.3	I315 Y316 Q320 N321 T325 I326 L358	I315-L323 HydrophobicContact CG2-CD2 3.83Å; Y316-L323 HydrophobicContact CD2-CD1 3.41Å; Y316-L323 VanDerWaalsContact CD2-CD1 3.41Å; Y316-L323 HydrophobicContact CE2-CD1 4.03Å; Y316-L323 HydrophobicContact CG-CD1 4.22Å; Q320-L323 HydrophobicContact CG-CD1 4.43Å; N321-L323 PolarHBondContact O-N 3.28Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 3.28Å; L323-I326 HydrophobicContact CD2-CD1 3.99Å; L323-L358 HydrophobicContact CB-CD1 4.38Å; L323-L358 HydrophobicContact CB-CD2 4.1Å; L323-L358 HydrophobicContact CD1-CD1 4.21Å; L323-L358 HydrophobicContact CD2-CD1 3.9Å; L323-L358 HydrophobicContact CD2-CD2 3.94Å; L323-L358 HydrophobicContact CG-CD1 4.39Å; L323-L358 WeakPolarHBondContact O-CD2 3.32Å
324	K	49	Very low	53.4	Low	158 Å²	158	60.4 Å²	60.4	69%	0.687	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-80.8	-8	-179.8	-66.7	177.5	-179.7	169.8	0	113.8	N321 I322	N321-K324 PolarHBondContact O-N 3.22Å; N321-K324 VanDerWaalsContact O-N 3.14Å; I322-K324 PolarHBondContact O-N 3.04Å; I322-K324 VanDerWaalsContact O-N 3.12Å
325	T	51.2	Low	52.7	Low	56 Å²	56	55.9 Å²	55.9	34%	0.344	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-124	16.9	-175.9	56.8	0	0	0	0	113	S297 A298 C299 I322 L323	S297-T325 VanDerWaalsContact O-CB 3.31Å; S297-T325 WeakPolarHBondContact O-CB 3.17Å; S297-T325 WeakPolarHBondContact O-CG2 3.33Å; A298-T325 WeakPolarHBondContact CA-O 3.3Å; C299-T325 PolarHBondContact N-O 2.79Å; I322-T325 PolarHBondContact O-N 3.16Å; I322-T325 VanDerWaalsContact O-N 3.09Å; I322-T325 PolarHBondContact O-OG1 3.46Å; I322-T325 VanDerWaalsContact O-OG1 3.13Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 3.28Å
326	I	51.5	Low	52.1	Low	7 Å²	7	60.2 Å²	60.2	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123	178.5	-41	-170.6	0	0	0	110.9	C299 V301 I315 I322 L323 F328	C299-I326 HydrophobicContact CB-CB 4.45Å; C299-I326 HydrophobicContact CB-CG1 4.16Å; C299-I326 HydrophobicContact CB-CG2 4.17Å; C299-I326 CarbonylContact O-C 3.33Å; C299-I326 WeakPolarHBondContact O-CA 3.3Å; V301-I326 HydrophobicContact CG2-CG2 4.2Å; I315-I326 HydrophobicContact CG2-CD1 3.59Å; I322-I326 HydrophobicContact CG2-CD1 4.2Å; I322-I326 HydrophobicContact CG2-CG1 4.34Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å; L323-I326 HydrophobicContact CD2-CD1 3.99Å; I326-F328 HydrophobicContact CB-CD2 4.35Å; I326-F328 HydrophobicContact CB-CE2 4.36Å; I326-F328 HydrophobicContact CG2-CD2 3.56Å; I326-F328 HydrophobicContact CG2-CE2 3.54Å; I326-F328 HydrophobicContact CG2-CG 4.37Å; I326-F328 HydrophobicContact CG2-CZ 4.36Å
327	M	53.9	Low	51.5	Low	26 Å²	26	58.5 Å²	58.5	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.1	168.2	-155.5	-177.6	-156.2	0	0	109.3	C299 I300 V301 F363 N399 F400	C299-M327 PolarHBondContact O-N 3.21Å; I300-M327 WeakPolarHBondContact CA-O 3.21Å; V301-M327 PolarHBondContact N-O 3.4Å; M327-F363 HydrophobicContact CE-CE2 3.97Å; M327-N399 HydrophobicContact CE-CB 4.15Å; M327-F400 HydrophobicContact CE-CB 4.37Å; M327-F400 HydrophobicContact SD-CB 4.31Å; M327-F400 HydrophobicContact SD-CD2 3.77Å
328	F	57.3	Low	51	Low	4 Å²	4	60 Å²	60	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.1	-173.3	-96.4	-82.4	0	0	0	112.4	V301 Y308 L311 L312 I326 Y361 A362 F363	V301-F328 HydrophobicContact CB-CD1 3.5Å; V301-F328 VanDerWaalsContact CB-CD1 3.5Å; V301-F328 HydrophobicContact CB-CE1 3.55Å; V301-F328 HydrophobicContact CB-CG 4.27Å; V301-F328 HydrophobicContact CB-CZ 4.33Å; V301-F328 HydrophobicContact CG1-CD1 3.8Å; V301-F328 HydrophobicContact CG1-CE1 3.55Å; V301-F328 HydrophobicContact CG2-CD1 4.09Å; V301-F328 HydrophobicContact CG2-CE1 3.79Å; V301-F328 HydrophobicContact CG2-CZ 4.06Å; Y308-F328 AromaticContact CD2-CD1 3.3Å; Y308-F328 HydrophobicContact CD2-CD1 3.3Å; Y308-F328 AromaticContact CD2-CE1 3.38Å; Y308-F328 HydrophobicContact CD2-CE1 3.38Å; Y308-F328 HydrophobicContact CD2-CG 4.01Å; Y308-F328 HydrophobicContact CD2-CZ 4.18Å; Y308-F328 HydrophobicContact CE2-CB 3.74Å; Y308-F328 AromaticContact CE2-CD1 3.11Å; Y308-F328 HydrophobicContact CE2-CD1 3.11Å; Y308-F328 AromaticContact CE2-CD2 3.79Å; Y308-F328 HydrophobicContact CE2-CD2 3.79Å; Y308-F328 AromaticContact CE2-CE1 3.39Å; Y308-F328 HydrophobicContact CE2-CE1 3.39Å; Y308-F328 HydrophobicContact CE2-CE2 4.05Å; Y308-F328 AromaticContact CE2-CG 3.31Å; Y308-F328 HydrophobicContact CE2-CG 3.31Å; Y308-F328 AromaticContact CE2-CZ 3.86Å; Y308-F328 HydrophobicContact CE2-CZ 3.86Å; Y308-F328 HydrophobicContact CG-CE1 4.31Å; L311-F328 HydrophobicContact CD2-CE1 4.45Å; L312-F328 HydrophobicContact CD2-CE2 3.86Å; L312-F328 HydrophobicContact CD2-CZ 4.03Å; L312-F328 HydrophobicContact CG-CE2 4.33Å; L312-F328 HydrophobicContact CG-CZ 4.09Å; I326-F328 HydrophobicContact CB-CD2 4.35Å; I326-F328 HydrophobicContact CB-CE2 4.36Å; I326-F328 HydrophobicContact CG2-CD2 3.56Å; I326-F328 HydrophobicContact CG2-CE2 3.54Å; I326-F328 HydrophobicContact CG2-CG 4.37Å; I326-F328 HydrophobicContact CG2-CZ 4.36Å; F328-Y361 PolarHBondContact N-O 2.86Å; F328-A362 HydrophobicContact CB-CB 4.18Å; F328-F363 PolarHBondContact O-N 2.83Å
329	I	55.4	Low	50.8	Low	15 Å²	15	59.2 Å²	59.2	8%	0.077	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	98.2	176	-50.5	175.7	0	0	0	108.3	I300 V301 I302 A303 L365 T392 T396	I300-I329 HydrophobicContact CG2-CD1 4.28Å; V301-I329 PolarHBondContact O-N 3.15Å; I302-I329 HydrophobicContact CG1-CB 4.48Å; I302-I329 HydrophobicContact CG1-CD1 4.36Å; A303-I329 PolarHBondContact N-O 3.28Å; I329-L365 HydrophobicContact CG2-CD1 4.16Å; I329-T392 HydrophobicContact CG2-CG2 3.69Å; I329-T396 HydrophobicContact CD1-CG2 3.82Å; I329-T396 HydrophobicContact CG1-CG2 4.08Å
330	A	54.8	Low	50.5	Low	1 Å²	1	56.5 Å²	56.5	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.2	175.3	0	0	0	0	0	110.9	A303 L305 F363 V364 L365	A303-A330 WeakPolarHBondContact O-CA 3.46Å; L305-A330 HydrophobicContact CD1-CB 3.64Å; A330-F363 PolarHBondContact N-O 2.97Å; A330-V364 HydrophobicContact CB-CG2 4.36Å; A330-V364 WeakPolarHBondContact O-CA 3.45Å; A330-L365 PolarHBondContact O-N 3.04Å
331	Y	56.9	Low	50.4	Low	56 Å²	56	55.9 Å²	55.9	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.7	175.7	64.3	-78.7	0	0	0	110.2	K213 D237 I302 A303 Q304	K213-Y331 WeakPolarHBondContact CE-OH 3.37Å; K213-Y331 PolarHBondContact NZ-OH 2.61Å; D237-Y331 PolarHBondContact OD2-OH 2.85Å; I302-Y331 HydrophobicContact CG2-CD1 4.48Å; I302-Y331 HydrophobicContact CG2-CE1 4.17Å; A303-Y331 VanDerWaalsContact C-CE1 3.42Å; A303-Y331 VanDerWaalsContact O-CD1 3.31Å; A303-Y331 WeakPolarHBondContact O-CD1 3.34Å; A303-Y331 WeakPolarHBondContact O-CE1 3.15Å; A303-Y331 PolarHBondContact O-N 2.6Å; Q304-Y331 WeakPolarHBondContact CA-O 3.44Å; Q304-Y331 HydrophobicContact CG-CE2 4.12Å
332	D	52.3	Low	50.7	Low	17 Å²	17	57 Å²	57	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	96.2	174.7	-157.6	-32.8	0	0	0	111.6	L305 S334 L335 L365 T366	L305-D332 HydrophobicContact CB-CB 4.03Å; D332-S334 PolarHBondContact O-N 2.97Å; D332-S334 WeakPolarHBondContact OD1-CA 3.41Å; D332-S334 WeakPolarHBondContact OD1-CB 3.44Å; D332-S334 PolarHBondContact OD1-N 3.47Å; D332-S334 PolarHBondContact OD1-OG 2.81Å; D332-L335 HydrophobicContact CB-CB 4.41Å; D332-L335 HydrophobicContact CB-CD1 4.05Å; D332-L335 HydrophobicContact CB-CG 4.46Å; D332-L335 PolarHBondContact O-N 2.89Å; D332-L335 WeakPolarHBondContact OD2-CD1 3.21Å; D332-L365 PolarHBondContact N-O 3.35Å; D332-T366 WeakPolarHBondContact O-CG2 3.43Å
333	M	49.4	Very low	50.8	Low	85 Å²	85	58.2 Å²	58.2	42%	0.419	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-8.4	176.5	-64.5	-58.6	-152.2	0	0	113.2	D385 A388	M333-D385 WeakPolarHBondContact CE-OD1 3.41Å; M333-A388 HydrophobicContact CE-CB 4.37Å
334	S	47.3	Very low	51.1	Low	97 Å²	97	58.4 Å²	58.4	68%	0.678	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	-13.3	176.9	77.2	0	0	0	0	113.5	D332	D332-S334 PolarHBondContact O-N 2.97Å; D332-S334 WeakPolarHBondContact OD1-CA 3.41Å; D332-S334 WeakPolarHBondContact OD1-CB 3.44Å; D332-S334 PolarHBondContact OD1-N 3.47Å; D332-S334 PolarHBondContact OD1-OG 2.81Å
335	L	43.5	Very low	51.4	Low	20 Å²	20	57.7 Å²	57.7	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.6	179.3	-73.2	167.6	0	0	0	111.8	L305 D332 D339 I340 V343 T366	L305-L335 HydrophobicContact CD2-CD1 3.51Å; D332-L335 HydrophobicContact CB-CB 4.41Å; D332-L335 HydrophobicContact CB-CD1 4.05Å; D332-L335 HydrophobicContact CB-CG 4.46Å; D332-L335 PolarHBondContact O-N 2.89Å; D332-L335 WeakPolarHBondContact OD2-CD1 3.21Å; L335-D339 HydrophobicContact CD2-CB 3.66Å; L335-I340 HydrophobicContact CB-CG1 4.38Å; L335-V343 HydrophobicContact CD1-CB 4.2Å; L335-V343 HydrophobicContact CD1-CG1 4.16Å; L335-V343 HydrophobicContact CD1-CG2 4.26Å; L335-V343 HydrophobicContact CD2-CG2 3.74Å; L335-T366 HydrophobicContact CB-CG2 4.22Å; L335-T366 WeakPolarHBondContact O-CB 3.49Å
336	F	45.3	Very low	51.8	Low	103 Å²	103	62.2 Å²	62.2	45%	0.452	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	158	166	-66.6	-73.8	0	0	0	110.6	Y338 D339 I340 P369	F336-Y338 PolarHBondContact O-N 3.35Å; F336-D339 PolarHBondContact O-N 3.19Å; F336-I340 PolarHBondContact O-N 3.08Å; F336-P369 HydrophobicContact CD1-CB 4.25Å
337	S	44.2	Very low	51.8	Low	23 Å²	23	63.2 Å²	63.2	16%	0.161	30%	0.299	C	S	.	.	H	α-helix	trans	-40.5	-40	172.3	42.7	0	0	0	0	115	Y464	S337-Y464 WeakPolarHBondContact CB-OH 3.08Å
338	Y	44.8	Very low	51.7	Low	191 Å²	191	63.7 Å²	63.7	75%	0.749	31%	0.308	S	S	*	.	H	α-helix	trans	-78.5	-20	-176.7	-127.9	-84.6	0	0	0	114.9	F336	F336-Y338 PolarHBondContact O-N 3.35Å
339	D	52.5	Low	51.6	Low	58 Å²	58	70.7 Å²	70.7	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-95.9	-21.5	-175.1	-65.2	-47.4	0	0	0	112.6	L335 F336 L341 K342 V343	L335-D339 HydrophobicContact CD2-CB 3.66Å; F336-D339 PolarHBondContact O-N 3.19Å; D339-L341 PolarHBondContact O-N 3.13Å; D339-K342 WeakPolarHBondContact O-CB 3.21Å; D339-K342 PolarHBondContact O-N 2.73Å; D339-K342 VanDerWaalsContact O-N 3.12Å; D339-V343 PolarHBondContact O-N 3.19Å
340	I	48.3	Very low	51.5	Low	3 Å²	3	73.9 Å²	73.9	2%	0.015	36%	0.358	C	S	.	.	H	α-helix	trans	-55.4	-53.2	178.5	-60.8	153.3	0	0	0	111.3	L335 F336 K342 V343 W344 V364 T366 Y464	L335-I340 HydrophobicContact CB-CG1 4.38Å; F336-I340 PolarHBondContact O-N 3.08Å; I340-K342 PolarHBondContact O-N 3.19Å; I340-V343 PolarHBondContact O-N 3.14Å; I340-W344 WeakPolarHBondContact O-CA 3.34Å; I340-W344 WeakPolarHBondContact O-CB 3.37Å; I340-W344 PolarHBondContact O-N 3.16Å; I340-V364 HydrophobicContact CG2-CB 4.35Å; I340-V364 HydrophobicContact CG2-CG1 3.8Å; I340-T366 HydrophobicContact CD1-CG2 3.22Å; I340-T366 WeakPolarHBondContact CD1-OG1 3.46Å; I340-T366 HydrophobicContact CG1-CG2 3.41Å; I340-T366 VanDerWaalsContact CG1-CG2 3.41Å; I340-Y464 HydrophobicContact CD1-CD2 3.61Å; I340-Y464 HydrophobicContact CD1-CE2 3.22Å
341	L	50.8	Low	51.4	Low	107 Å²	107	74.8 Å²	74.8	56%	0.56	36%	0.362	S	S	*	.	H	α-helix	trans	-62.3	-27.8	-178	-84	163.7	0	0	0	112.1	D339 K345	D339-L341 PolarHBondContact O-N 3.13Å; L341-K345 VanDerWaalsContact O-CB 3.22Å; L341-K345 WeakPolarHBondContact O-CB 3.31Å; L341-K345 WeakPolarHBondContact O-CG 3.38Å; L341-K345 PolarHBondContact O-N 3.23Å
342	K	54.5	Low	51	Low	133 Å²	133	78.6 Å²	78.6	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-76.4	-50.1	174	-71.5	176.5	-179.8	168.4	0	112	D339 I340 W344 K345 Y346	D339-K342 WeakPolarHBondContact O-CB 3.21Å; D339-K342 PolarHBondContact O-N 2.73Å; D339-K342 VanDerWaalsContact O-N 3.12Å; I340-K342 PolarHBondContact O-N 3.19Å; K342-W344 VanDerWaalsContact C-N 3.31Å; K342-W344 PolarHBondContact O-N 2.9Å; K342-K345 PolarHBondContact O-N 3.04Å; K342-Y346 VanDerWaalsContact O-CB 3.25Å; K342-Y346 WeakPolarHBondContact O-CB 3.24Å; K342-Y346 PolarHBondContact O-N 2.53Å
343	V	54.4	Low	50.8	Low	47 Å²	47	80.1 Å²	80.1	29%	0.285	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-37.1	179.1	174.3	0	0	0	0	110.9	L305 L335 D339 I340 Y346 N347	L305-V343 HydrophobicContact CD2-CB 4.42Å; L305-V343 HydrophobicContact CD2-CG1 3.93Å; L335-V343 HydrophobicContact CD1-CB 4.2Å; L335-V343 HydrophobicContact CD1-CG1 4.16Å; L335-V343 HydrophobicContact CD1-CG2 4.26Å; L335-V343 HydrophobicContact CD2-CG2 3.74Å; D339-V343 PolarHBondContact O-N 3.19Å; I340-V343 PolarHBondContact O-N 3.14Å; V343-Y346 PolarHBondContact O-N 2.68Å; V343-N347 VanDerWaalsContact O-CB 3.25Å; V343-N347 WeakPolarHBondContact O-CB 3.48Å; V343-N347 VanDerWaalsContact O-CG 3.25Å; V343-N347 PolarHBondContact O-N 2.65Å; V343-N347 PolarHBondContact O-ND2 3.11Å
344	W	55.4	Low	50.9	Low	19 Å²	19	81.9 Å²	81.9	7%	0.072	42%	0.418	C	S	.	.	H	α-helix	trans	-68.6	-46.9	174.2	-165.8	-108.1	0	0	0	112.1	L305 Y308 I340 K342 Y346 N347 A348 A362 V364	L305-W344 HydrophobicContact CD1-CE3 3.59Å; L305-W344 HydrophobicContact CD1-CZ3 3.46Å; L305-W344 VanDerWaalsContact CD1-CZ3 3.46Å; L305-W344 HydrophobicContact CG-CE3 4.14Å; L305-W344 HydrophobicContact CG-CZ3 4.3Å; Y308-W344 AromaticContact CD1-CH2 3.74Å; Y308-W344 HydrophobicContact CD1-CH2 3.74Å; Y308-W344 AromaticContact CD1-CZ3 3.59Å; Y308-W344 HydrophobicContact CD1-CZ3 3.59Å; Y308-W344 HydrophobicContact CD2-CH2 4.12Å; Y308-W344 HydrophobicContact CD2-CZ3 4.26Å; Y308-W344 AromaticContact CE1-CH2 3.22Å; Y308-W344 HydrophobicContact CE1-CH2 3.22Å; Y308-W344 AromaticContact CE1-CZ2 3.93Å; Y308-W344 HydrophobicContact CE1-CZ2 3.93Å; Y308-W344 AromaticContact CE1-CZ3 3.57Å; Y308-W344 HydrophobicContact CE1-CZ3 3.57Å; Y308-W344 AromaticContact CE2-CH2 3.62Å; Y308-W344 HydrophobicContact CE2-CH2 3.62Å; Y308-W344 HydrophobicContact CE2-CZ3 4.21Å; Y308-W344 HydrophobicContact CG-CH2 4.2Å; Y308-W344 AromaticContact CG-CZ3 3.98Å; Y308-W344 HydrophobicContact CG-CZ3 3.98Å; Y308-W344 AromaticContact CZ-CH2 3.2Å; Y308-W344 AromaticContact CZ-CZ2 3.91Å; Y308-W344 AromaticContact CZ-CZ3 3.95Å; I340-W344 WeakPolarHBondContact O-CA 3.34Å; I340-W344 WeakPolarHBondContact O-CB 3.37Å; I340-W344 PolarHBondContact O-N 3.16Å; K342-W344 VanDerWaalsContact C-N 3.31Å; K342-W344 PolarHBondContact O-N 2.9Å; W344-Y346 VanDerWaalsContact C-N 3.32Å; W344-Y346 PolarHBondContact O-N 3.15Å; W344-N347 PolarHBondContact O-N 2.81Å; W344-A348 WeakPolarHBondContact O-CB 3.47Å; W344-A348 PolarHBondContact O-N 3.37Å; W344-A362 HydrophobicContact CH2-CB 3.74Å; W344-A362 HydrophobicContact CZ2-CB 3.68Å; W344-V364 HydrophobicContact CE3-CG2 4.5Å; W344-V364 HydrophobicContact CH2-CG2 4.35Å; W344-V364 HydrophobicContact CZ3-CG2 4.26Å
345	K	56.6	Low	51.3	Low	143 Å²	143	78.3 Å²	78.3	62%	0.622	39%	0.389	S	S	*	.	H	α-helix	trans	-57.8	-44.6	171.5	-89.6	-174.5	169.7	178.9	0	111.7	L341 K342 A348 Q349	L341-K345 VanDerWaalsContact O-CB 3.22Å; L341-K345 WeakPolarHBondContact O-CB 3.31Å; L341-K345 WeakPolarHBondContact O-CG 3.38Å; L341-K345 PolarHBondContact O-N 3.23Å; K342-K345 PolarHBondContact O-N 3.04Å; K345-A348 PolarHBondContact O-N 3.42Å; K345-Q349 VanDerWaalsContact O-CB 3.28Å; K345-Q349 WeakPolarHBondContact O-CB 3.39Å; K345-Q349 WeakPolarHBondContact O-CG 3.4Å; K345-Q349 PolarHBondContact O-N 2.98Å
346	Y	58.3	Low	51.4	Low	152 Å²	152	79 Å²	79	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-63.1	-44	178.8	-177.2	-97.6	0	0	0	112.1	K342 V343 W344 N350	K342-Y346 VanDerWaalsContact O-CB 3.25Å; K342-Y346 WeakPolarHBondContact O-CB 3.24Å; K342-Y346 PolarHBondContact O-N 2.53Å; V343-Y346 PolarHBondContact O-N 2.68Å; W344-Y346 VanDerWaalsContact C-N 3.32Å; W344-Y346 PolarHBondContact O-N 3.15Å; Y346-N350 PolarHBondContact O-N 3.45Å; Y346-N350 PolarHBondContact O-ND2 3.34Å
347	N	52.7	Low	51.4	Low	27 Å²	27	78.3 Å²	78.3	14%	0.144	40%	0.4	C	S	.	.	H	α-helix	trans	-68.6	-39.4	176.7	-77	-21.2	0	0	0	112.1	V343 W344 N350 I351	V343-N347 VanDerWaalsContact O-CB 3.25Å; V343-N347 WeakPolarHBondContact O-CB 3.48Å; V343-N347 VanDerWaalsContact O-CG 3.25Å; V343-N347 PolarHBondContact O-N 2.65Å; V343-N347 PolarHBondContact O-ND2 3.11Å; W344-N347 PolarHBondContact O-N 2.81Å; N347-N350 PolarHBondContact O-N 3.22Å; N347-I351 WeakPolarHBondContact O-CG1 3.33Å
348	A	52.3	Low	51.6	Low	37 Å²	37	77.5 Å²	77.5	31%	0.306	39%	0.394	S	S	.	.	H	α-helix	trans	-68.8	-35.4	177.2	0	0	0	0	0	112.8	W344 K345 N350 I351	W344-A348 WeakPolarHBondContact O-CB 3.47Å; W344-A348 PolarHBondContact O-N 3.37Å; K345-A348 PolarHBondContact O-N 3.42Å; A348-N350 PolarHBondContact O-N 3.06Å; A348-I351 PolarHBondContact O-N 3.26Å
349	Q	54.1	Low	51.9	Low	150 Å²	150	69.8 Å²	69.8	70%	0.701	37%	0.365	S	S	*	.	H	α-helix	trans	-66.8	-16.1	173.9	-78.5	173	-22.6	0	0	113.5	K345	K345-Q349 VanDerWaalsContact O-CB 3.28Å; K345-Q349 WeakPolarHBondContact O-CB 3.39Å; K345-Q349 WeakPolarHBondContact O-CG 3.4Å; K345-Q349 PolarHBondContact O-N 2.98Å
350	N	53	Low	51.5	Low	83 Å²	83	69.7 Å²	69.7	44%	0.444	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	9.8	179.4	-76.9	-57.2	0	0	0	113.6	K313 Y346 N347 A348	K313-N350 VanDerWaalsContact CE-O 3.27Å; K313-N350 WeakPolarHBondContact CE-O 3.49Å; K313-N350 PolarHBondContact NZ-O 2.96Å; Y346-N350 PolarHBondContact O-N 3.45Å; Y346-N350 PolarHBondContact O-ND2 3.34Å; N347-N350 PolarHBondContact O-N 3.22Å; A348-N350 PolarHBondContact O-N 3.06Å
351	I	53.4	Low	51.6	Low	20 Å²	20	74 Å²	74	10%	0.103	38%	0.381	C	S	.	.			trans	-111.2	103.6	-180	-24.2	-178.3	0	0	0	110	L312 K313 N347 A348 G353 Y355	L312-I351 HydrophobicContact CD1-CD1 4Å; K313-I351 HydrophobicContact CG-CG2 3.84Å; N347-I351 WeakPolarHBondContact O-CG1 3.33Å; A348-I351 PolarHBondContact O-N 3.26Å; I351-G353 PolarHBondContact O-N 3.42Å; I351-Y355 HydrophobicContact CB-CD2 3.7Å; I351-Y355 HydrophobicContact CB-CE2 3.57Å; I351-Y355 HydrophobicContact CB-CG 4.41Å; I351-Y355 HydrophobicContact CG2-CD1 4.23Å; I351-Y355 HydrophobicContact CG2-CD2 3.71Å; I351-Y355 HydrophobicContact CG2-CE1 3.78Å; I351-Y355 HydrophobicContact CG2-CE2 3.21Å; I351-Y355 HydrophobicContact CG2-CG 4.22Å; I351-Y355 WeakPolarHBondContact O-CD2 3.35Å; I351-Y355 WeakPolarHBondContact O-CE2 3.49Å
352	D	47.8	Very low	51.6	Low	135 Å²	135	69 Å²	69	72%	0.722	36%	0.356	S	S	*	.			trans	-73.3	110.3	178.6	-56.3	-69.2	0	0	0	111.6	Y355	D352-Y355 VanDerWaalsContact O-CE2 3.26Å; D352-Y355 WeakPolarHBondContact O-CE2 3.48Å; D352-Y355 PolarHBondContact O-OH 2.75Å
353	G	49.4	Very low	51.5	Low	50 Å²	50	64 Å²	64	52%	0.515	33%	0.334	S	S	.	.	S	Bend	trans	143.2	177	-177.4	0	0	0	0	0	115	I351 Y355	I351-G353 PolarHBondContact O-N 3.42Å; G353-Y355 VanDerWaalsContact C-CD2 3.45Å; G353-Y355 VanDerWaalsContact C-N 3.25Å; G353-Y355 WeakPolarHBondContact O-CD2 3.44Å; G353-Y355 PolarHBondContact O-N 2.87Å
354	D	51	Low	51.5	Low	122 Å²	122	61.8 Å²	61.8	65%	0.652	32%	0.321	S	S	*	.			trans	-86.5	51.2	-169.7	-148.3	-7.3	0	0	0	112.7	S356	D354-S356 PolarHBondContact O-N 3.47Å; D354-S356 VanDerWaalsContact O-N 3.14Å; D354-S356 PolarHBondContact OD1-OG 3.29Å
355	Y	54.7	Low	51.2	Low	21 Å²	21	62 Å²	62	8%	0.082	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	4	-173	-54	-84.2	0	0	0	114.7	Y316 I351 D352 G353 T357 L358 I359	Y316-Y355 HydrophobicContact CD1-CE1 4.17Å; Y316-Y355 WeakPolarHBondContact CD1-OH 3.47Å; Y316-Y355 AromaticContact CD2-CD1 3.91Å; Y316-Y355 HydrophobicContact CD2-CD1 3.91Å; Y316-Y355 AromaticContact CD2-CE1 3.31Å; Y316-Y355 HydrophobicContact CD2-CE1 3.31Å; Y316-Y355 AromaticContact CD2-CZ 3.96Å; Y316-Y355 HydrophobicContact CE2-CD1 4.36Å; Y316-Y355 AromaticContact CE2-CE1 3.92Å; Y316-Y355 HydrophobicContact CE2-CE1 3.92Å; Y316-Y355 HydrophobicContact CG-CD1 4.47Å; Y316-Y355 AromaticContact CG-CE1 3.47Å; Y316-Y355 HydrophobicContact CG-CE1 3.47Å; Y316-Y355 VanDerWaalsContact CG-CE1 3.47Å; Y316-Y355 AromaticContact CG-CZ 3.89Å; I351-Y355 HydrophobicContact CB-CD2 3.7Å; I351-Y355 HydrophobicContact CB-CE2 3.57Å; I351-Y355 HydrophobicContact CB-CG 4.41Å; I351-Y355 HydrophobicContact CG2-CD1 4.23Å; I351-Y355 HydrophobicContact CG2-CD2 3.71Å; I351-Y355 HydrophobicContact CG2-CE1 3.78Å; I351-Y355 HydrophobicContact CG2-CE2 3.21Å; I351-Y355 HydrophobicContact CG2-CG 4.22Å; I351-Y355 WeakPolarHBondContact O-CD2 3.35Å; I351-Y355 WeakPolarHBondContact O-CE2 3.49Å; D352-Y355 VanDerWaalsContact O-CE2 3.26Å; D352-Y355 WeakPolarHBondContact O-CE2 3.48Å; D352-Y355 PolarHBondContact O-OH 2.75Å; G353-Y355 VanDerWaalsContact C-CD2 3.45Å; G353-Y355 VanDerWaalsContact C-N 3.25Å; G353-Y355 WeakPolarHBondContact O-CD2 3.44Å; G353-Y355 PolarHBondContact O-N 2.87Å; Y355-T357 PolarHBondContact O-N 2.87Å; Y355-T357 VanDerWaalsContact O-N 3.11Å; Y355-L358 HydrophobicContact CD1-CD1 3.81Å; Y355-L358 PolarHBondContact O-N 3.34Å; Y355-I359 PolarHBondContact O-N 3.44Å
356	S	46.7	Very low	50.6	Low	34 Å²	34	55.3 Å²	55.3	24%	0.238	29%	0.294	C	S	.	.	H	α-helix	trans	-45.8	-41.9	178.4	53.4	0	0	0	0	112.7	D354	D354-S356 PolarHBondContact O-N 3.47Å; D354-S356 VanDerWaalsContact O-N 3.14Å; D354-S356 PolarHBondContact OD1-OG 3.29Å
357	T	45.5	Very low	49.7	Very low	89 Å²	89	49.6 Å²	49.6	55%	0.546	28%	0.276	S	S	.	.	H	α-helix	trans	-72.8	-26.3	-179.3	51.7	0	0	0	0	114.9	Y355 Y361	Y355-T357 PolarHBondContact O-N 2.87Å; Y355-T357 VanDerWaalsContact O-N 3.11Å; T357-Y361 WeakPolarHBondContact O-CD2 3.43Å; T357-Y361 WeakPolarHBondContact O-CE2 3.31Å
358	L	48.5	Very low	49	Very low	6 Å²	6	50.6 Å²	50.6	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-81.3	-21.7	-178.9	-77.9	145.5	0	0	0	113.1	L312 L323 Y355 N360 Y361	L312-L358 HydrophobicContact CD2-CD1 4.21Å; L312-L358 HydrophobicContact CD2-CD2 4.15Å; L323-L358 HydrophobicContact CB-CD1 4.38Å; L323-L358 HydrophobicContact CB-CD2 4.1Å; L323-L358 HydrophobicContact CD1-CD1 4.21Å; L323-L358 HydrophobicContact CD2-CD1 3.9Å; L323-L358 HydrophobicContact CD2-CD2 3.94Å; L323-L358 HydrophobicContact CG-CD1 4.39Å; L323-L358 WeakPolarHBondContact O-CD2 3.32Å; Y355-L358 HydrophobicContact CD1-CD1 3.81Å; Y355-L358 PolarHBondContact O-N 3.34Å; L358-N360 VanDerWaalsContact C-N 3.33Å; L358-N360 PolarHBondContact O-N 3.49Å; L358-Y361 PolarHBondContact O-N 2.93Å
359	I	49.2	Very low	48.2	Very low	29 Å²	29	52 Å²	52	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-37.4	-176.5	-64.9	168.5	0	0	0	110.5	Y355 Y361 A362 C466 V468	Y355-I359 PolarHBondContact O-N 3.44Å; I359-Y361 PolarHBondContact O-N 2.94Å; I359-Y361 VanDerWaalsContact O-N 3.12Å; I359-A362 PolarHBondContact O-N 3.45Å; I359-C466 CarbonylContact C-O 3.57Å; I359-C466 HydrophobicContact CG2-CB 3.78Å; I359-C466 WeakPolarHBondContact CG2-O 3.15Å; I359-C466 WeakPolarHBondContact O-CB 3.31Å; I359-C466 VanDerWaalsContact O-O 3.09Å; I359-V468 HydrophobicContact CG2-CG2 3.79Å
360	N	45.3	Very low	47.2	Very low	56 Å²	56	53.9 Å²	53.9	30%	0.299	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.2	-177.8	-65.4	-10.1	0	0	0	114.9	L358 C466 V468	L358-N360 VanDerWaalsContact C-N 3.33Å; L358-N360 PolarHBondContact O-N 3.49Å; N360-C466 WeakPolarHBondContact CA-O 3.3Å; N360-C466 PolarHBondContact OD1-O 2.77Å; N360-V468 PolarHBondContact OD1-N 3.24Å; N360-V468 VanDerWaalsContact OD1-N 3.08Å
361	Y	49.8	Very low	46	Very low	93 Å²	93	53.7 Å²	53.7	37%	0.365	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	10.2	-175	-54.6	-66.5	0	0	0	114.5	F328 T357 L358 I359 H403	F328-Y361 PolarHBondContact N-O 2.86Å; T357-Y361 WeakPolarHBondContact O-CD2 3.43Å; T357-Y361 WeakPolarHBondContact O-CE2 3.31Å; L358-Y361 PolarHBondContact O-N 2.93Å; I359-Y361 PolarHBondContact O-N 2.94Å; I359-Y361 VanDerWaalsContact O-N 3.12Å; Y361-H403 AromaticContact CD1-NE2 3.78Å; Y361-H403 AromaticContact CE1-NE2 3.32Å; Y361-H403 VanDerWaalsContact CE1-NE2 3.32Å; Y361-H403 WeakPolarHBondContact CE1-NE2 3.27Å
362	A	50.5	Low	44.7	Very low	2 Å²	2	57 Å²	57	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.8	179.7	0	0	0	0	0	112.7	Y308 F328 W344 I359	Y308-A362 HydrophobicContact CE2-CB 4.35Å; F328-A362 HydrophobicContact CB-CB 4.18Å; W344-A362 HydrophobicContact CH2-CB 3.74Å; W344-A362 HydrophobicContact CZ2-CB 3.68Å; I359-A362 PolarHBondContact O-N 3.45Å
363	F	52.9	Low	43.8	Very low	29 Å²	29	59 Å²	59	13%	0.127	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.5	168	-77.7	-88.8	0	0	0	110.7	M327 F328 A330 N399 T465	M327-F363 HydrophobicContact CE-CE2 3.97Å; F328-F363 PolarHBondContact O-N 2.83Å; A330-F363 PolarHBondContact N-O 2.97Å; F363-N399 WeakPolarHBondContact CE1-ND2 3.38Å; F363-N399 HydrophobicContact CZ-CB 4.14Å; F363-N399 WeakPolarHBondContact CZ-ND2 3.31Å; F363-T465 HydrophobicContact CD1-CG2 4.38Å; F363-T465 HydrophobicContact CE1-CG2 3.6Å; F363-T465 HydrophobicContact CZ-CG2 3.89Å
364	V	53.4	Low	43	Very low	1 Å²	1	59.8 Å²	59.8	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.6	174.9	-174.2	0	0	0	0	110.7	L305 A330 I340 W344 T366 A463 Y464	L305-V364 HydrophobicContact CD1-CG1 3.82Å; L305-V364 HydrophobicContact CD1-CG2 3.9Å; A330-V364 HydrophobicContact CB-CG2 4.36Å; A330-V364 WeakPolarHBondContact O-CA 3.45Å; I340-V364 HydrophobicContact CG2-CB 4.35Å; I340-V364 HydrophobicContact CG2-CG1 3.8Å; W344-V364 HydrophobicContact CE3-CG2 4.5Å; W344-V364 HydrophobicContact CH2-CG2 4.35Å; W344-V364 HydrophobicContact CZ3-CG2 4.26Å; V364-T366 HydrophobicContact CG1-CG2 4.35Å; V364-A463 WeakPolarHBondContact O-CA 3.32Å; V364-Y464 PolarHBondContact N-O 3.36Å; V364-Y464 PolarHBondContact O-N 3.13Å
365	L	49.4	Very low	42	Very low	24 Å²	24	60.5 Å²	60.5	13%	0.126	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	-179.4	-61.9	156	0	0	0	111.4	I329 A330 D332 T392 I461 A463	I329-L365 HydrophobicContact CG2-CD1 4.16Å; A330-L365 PolarHBondContact O-N 3.04Å; D332-L365 PolarHBondContact N-O 3.35Å; L365-T392 HydrophobicContact CD1-CG2 3.65Å; L365-T392 WeakPolarHBondContact CD1-OG1 3.49Å; L365-T392 WeakPolarHBondContact CD2-OG1 2.76Å; L365-I461 HydrophobicContact CD2-CG2 4.49Å; L365-A463 HydrophobicContact CD2-CB 4.28Å
366	T	43.9	Very low	40.9	Very low	1 Å²	1	67.6 Å²	67.6	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.5	-179.1	54.8	0	0	0	0	114.7	D332 L335 I340 V364 I461 N462	D332-T366 WeakPolarHBondContact O-CG2 3.43Å; L335-T366 HydrophobicContact CB-CG2 4.22Å; L335-T366 WeakPolarHBondContact O-CB 3.49Å; I340-T366 HydrophobicContact CD1-CG2 3.22Å; I340-T366 WeakPolarHBondContact CD1-OG1 3.46Å; I340-T366 HydrophobicContact CG1-CG2 3.41Å; I340-T366 VanDerWaalsContact CG1-CG2 3.41Å; V364-T366 HydrophobicContact CG1-CG2 4.35Å; T366-I461 WeakPolarHBondContact O-CA 3.4Å; T366-N462 PolarHBondContact N-O 3.21Å; T366-N462 VanDerWaalsContact N-O 3.12Å; T366-N462 PolarHBondContact O-N 2.87Å
367	S	39.6	Very low	40.4	Very low	32 Å²	32	71.6 Å²	71.6	22%	0.224	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	148	178	69.6	0	0	0	0	113.4
368	H	37.9	Very low	40	Very low	48 Å²	48	70.6 Å²	70.6	22%	0.222	38%	0.377	C	S	.	.			trans	-79.9	142.4	177.8	-173.7	-98.4	0	0	0	112.6	Y370 Y459 L460	H368-Y370 VanDerWaalsContact C-N 3.33Å; H368-Y370 AromaticContact CE1-CD2 3.79Å; H368-Y370 PolarHBondContact O-N 2.95Å; H368-Y459 WeakPolarHBondContact CB-O 3.26Å; H368-Y459 PolarHBondContact CD2-O 3.19Å; H368-Y459 PolarHBondContact ND1-O 3.47Å; H368-L460 WeakPolarHBondContact CB-O 3.49Å; H368-L460 PolarHBondContact N-O 3.36Å
369	P	36.8	Very low	39.3	Very low	66 Å²	66	78 Å²	78	43%	0.429	41%	0.412	S	S	.	.	S	Bend	trans	-75	-2.4	-168.7	28.3	-37.2	0	0	0	117.2	F336	F336-P369 HydrophobicContact CD1-CB 4.25Å
370	Y	32.9	Very low	38.6	Very low	190 Å²	190	83.8 Å²	83.8	75%	0.745	43%	0.433	S	S	*	.	S	Bend	trans	-92.5	121.9	179.8	-87.7	-86.7	0	0	0	112.9	H368	H368-Y370 VanDerWaalsContact C-N 3.33Å; H368-Y370 AromaticContact CE1-CD2 3.79Å; H368-Y370 PolarHBondContact O-N 2.95Å
371	G	27.4	Very low	38	Very low	80 Å²	80	84 Å²	84	83%	0.825	43%	0.433	S	S	*	.			trans	-87.1	145.7	-160.8	0	0	0	0	0	116.9
372	S	25.8	Very low	37.5	Very low	89 Å²	89	85 Å²	85	62%	0.622	45%	0.445	S	S	*	.			trans	-135.4	156.1	151.9	55.7	0	0	0	0	109	L374	S372-L374 PolarHBondContact O-N 3.23Å
373	K	29.9	Very low	36.9	Very low	178 Å²	178	89.4 Å²	89.4	77%	0.774	47%	0.466	S	S	*	.			trans	-76.7	50.2	-166.7	-57.2	169.5	-176.9	163.8	0	114	H375	K373-H375 PolarHBondContact O-N 2.81Å
374	L	31	Very low	36.3	Very low	66 Å²	66	91 Å²	91	35%	0.346	47%	0.472	S	S	.	.			trans	-73.1	118.8	179	-81.9	154.1	0	0	0	110.2	S372 D378 L381	S372-L374 PolarHBondContact O-N 3.23Å; L374-D378 HydrophobicContact CD2-CB 4.38Å; L374-L381 HydrophobicContact CB-CD1 4.42Å
375	H	30.5	Very low	35.7	Very low	137 Å²	137	93.7 Å²	93.7	63%	0.634	49%	0.487	S	S	*	.			trans	-71.9	147.1	171.6	-101.1	-102.3	0	0	0	108.8	K373 T377 D378	K373-H375 PolarHBondContact O-N 2.81Å; H375-T377 PolarHBondContact O-N 2.92Å; H375-D378 PolarHBondContact N-OD2 2.72Å; H375-D378 PolarHBondContact O-N 3.24Å
376	L	32.2	Very low	35.3	Very low	170 Å²	170	95.2 Å²	95.2	89%	0.89	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	17.5	177.4	-82.1	150.2	0	0	0	114.8
377	T	36.6	Very low	35.3	Very low	117 Å²	117	98.9 Å²	98.9	72%	0.718	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-5.5	-171.9	51.9	0	0	0	0	114.1	H375	H375-T377 PolarHBondContact O-N 2.92Å
378	D	35.6	Very low	35.5	Very low	68 Å²	68	97.9 Å²	97.9	36%	0.364	50%	0.504	S	S	.	.			trans	-82.6	135.2	-172	-63.4	-31.2	0	0	0	112.1	L374 H375 Y380 L381	L374-D378 HydrophobicContact CD2-CB 4.38Å; H375-D378 PolarHBondContact N-OD2 2.72Å; H375-D378 PolarHBondContact O-N 3.24Å; D378-Y380 PolarHBondContact O-N 3.08Å; D378-L381 PolarHBondContact O-N 3.33Å
379	E	35.9	Very low	35.8	Very low	162 Å²	162	98.2 Å²	98.2	76%	0.757	51%	0.506	S	S	*	.	H	α-helix	trans	-56.3	-19.9	172.6	-69.6	177.2	114.6	0	0	113.2	L381 N382 Q383	E379-L381 PolarHBondContact O-N 2.88Å; E379-N382 WeakPolarHBondContact O-CB 3.48Å; E379-N382 PolarHBondContact O-N 3.08Å; E379-N382 VanDerWaalsContact O-N 3.13Å; E379-Q383 PolarHBondContact O-N 3.27Å
380	Y	32.6	Very low	36	Very low	150 Å²	150	99.5 Å²	99.5	59%	0.588	51%	0.505	S	S	*	.	H	α-helix	trans	-57.8	-29.1	169.7	-109.7	-89.7	0	0	0	113.6	D378 K384	D378-Y380 PolarHBondContact O-N 3.08Å; Y380-K384 WeakPolarHBondContact O-CG 3.4Å; Y380-K384 PolarHBondContact O-N 2.95Å; Y380-K384 VanDerWaalsContact O-N 3.11Å
381	L	34.1	Very low	36.5	Very low	60 Å²	60	93.6 Å²	93.6	31%	0.314	49%	0.486	S	S	.	.	H	α-helix	trans	-68.1	-45.5	172.1	-109	95.8	0	0	0	111.1	L374 D378 E379 Q383 K384 D385	L374-L381 HydrophobicContact CB-CD1 4.42Å; D378-L381 PolarHBondContact O-N 3.33Å; E379-L381 PolarHBondContact O-N 2.88Å; L381-Q383 PolarHBondContact O-N 3.21Å; L381-K384 CarbonylContact O-C 3.52Å; L381-K384 WeakPolarHBondContact O-CA 3.47Å; L381-K384 PolarHBondContact O-N 3.37Å; L381-D385 PolarHBondContact O-N 3.41Å
382	N	39.1	Very low	37.4	Very low	116 Å²	116	90.6 Å²	90.6	62%	0.62	45%	0.452	S	S	*	.	H	α-helix	trans	-58.7	-35.7	176.4	-76.6	-35.7	0	0	0	112.1	E379 Y386	E379-N382 WeakPolarHBondContact O-CB 3.48Å; E379-N382 PolarHBondContact O-N 3.08Å; E379-N382 VanDerWaalsContact O-N 3.13Å; N382-Y386 VanDerWaalsContact O-CB 3.26Å; N382-Y386 WeakPolarHBondContact O-CB 3.44Å; N382-Y386 PolarHBondContact O-N 3.32Å
383	Q	37.7	Very low	38.3	Very low	94 Å²	94	88.5 Å²	88.5	44%	0.439	43%	0.434	S	S	.	.	H	α-helix	trans	-69.4	-36.2	174	-67	-170.1	-14.2	0	0	112.6	E379 L381 L387	E379-Q383 PolarHBondContact O-N 3.27Å; L381-Q383 PolarHBondContact O-N 3.21Å; Q383-L387 PolarHBondContact O-N 3.45Å
384	K	40.2	Very low	39	Very low	61 Å²	61	81.2 Å²	81.2	27%	0.265	41%	0.409	S	S	.	.	H	α-helix	trans	-72.6	-39.1	174.7	-75.3	-177.6	176	-174.8	0	112.7	Y380 L381 Y386 L387 A388	Y380-K384 WeakPolarHBondContact O-CG 3.4Å; Y380-K384 PolarHBondContact O-N 2.95Å; Y380-K384 VanDerWaalsContact O-N 3.11Å; L381-K384 CarbonylContact O-C 3.52Å; L381-K384 WeakPolarHBondContact O-CA 3.47Å; L381-K384 PolarHBondContact O-N 3.37Å; K384-Y386 VanDerWaalsContact C-N 3.28Å; K384-Y386 PolarHBondContact O-N 3.15Å; K384-L387 PolarHBondContact O-N 3.45Å; K384-A388 WeakPolarHBondContact O-CB 3.37Å; K384-A388 PolarHBondContact O-N 2.94Å
385	D	40.4	Very low	39.7	Very low	59 Å²	59	82.1 Å²	82.1	32%	0.316	41%	0.412	S	S	.	.	H	α-helix	trans	-58.6	-42.8	170.9	-69.6	-27.4	0	0	0	110.5	M333 L381 A388 M389	M333-D385 WeakPolarHBondContact CE-OD1 3.41Å; L381-D385 PolarHBondContact O-N 3.41Å; D385-A388 WeakPolarHBondContact O-CB 3.46Å; D385-A388 PolarHBondContact O-N 2.97Å; D385-M389 VanDerWaalsContact O-CB 3.27Å; D385-M389 WeakPolarHBondContact O-CB 3.49Å; D385-M389 PolarHBondContact O-N 3.42Å
386	Y	42.4	Very low	40.4	Very low	55 Å²	55	76.1 Å²	76.1	22%	0.216	39%	0.385	C	S	.	.	H	α-helix	trans	-67	-36.3	177.1	-175	-115.8	0	0	0	113	I209 G210 N382 K384 K390	I209-Y386 PolarHBondContact O-OH 3.28Å; G210-Y386 VanDerWaalsContact CA-OH 3.28Å; G210-Y386 WeakPolarHBondContact CA-OH 3.17Å; G210-Y386 PolarHBondContact N-OH 3.48Å; N382-Y386 VanDerWaalsContact O-CB 3.26Å; N382-Y386 WeakPolarHBondContact O-CB 3.44Å; N382-Y386 PolarHBondContact O-N 3.32Å; K384-Y386 VanDerWaalsContact C-N 3.28Å; K384-Y386 PolarHBondContact O-N 3.15Å; Y386-K390 HydrophobicContact CE1-CD 4.43Å; Y386-K390 WeakPolarHBondContact O-CG 3.44Å; Y386-K390 PolarHBondContact O-N 2.95Å; Y386-K390 VanDerWaalsContact O-N 3.11Å
387	L	42.3	Very low	41	Very low	79 Å²	79	70.3 Å²	70.3	41%	0.414	35%	0.354	S	S	.	.	H	α-helix	trans	-70	-42.4	172.8	-169	69.3	0	0	0	111.7	Q383 K384 K390 L391	Q383-L387 PolarHBondContact O-N 3.45Å; K384-L387 PolarHBondContact O-N 3.45Å; L387-K390 WeakPolarHBondContact O-CB 3.2Å; L387-K390 PolarHBondContact O-N 3.46Å; L387-L391 PolarHBondContact O-N 3.17Å
388	A	43.4	Very low	41.4	Very low	11 Å²	11	66.9 Å²	66.9	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-51.3	173.7	0	0	0	0	0	110.6	M333 K384 D385 K390 L391 T392 I461	M333-A388 HydrophobicContact CE-CB 4.37Å; K384-A388 WeakPolarHBondContact O-CB 3.37Å; K384-A388 PolarHBondContact O-N 2.94Å; D385-A388 WeakPolarHBondContact O-CB 3.46Å; D385-A388 PolarHBondContact O-N 2.97Å; A388-K390 VanDerWaalsContact C-N 3.32Å; A388-K390 PolarHBondContact O-N 3.32Å; A388-L391 WeakPolarHBondContact O-CB 3.16Å; A388-L391 PolarHBondContact O-N 3.01Å; A388-L391 VanDerWaalsContact O-N 3.09Å; A388-T392 PolarHBondContact O-N 3.49Å; A388-T392 PolarHBondContact O-OG1 3.48Å; A388-I461 HydrophobicContact CB-CD1 3.45Å; A388-I461 VanDerWaalsContact CB-CD1 3.45Å
389	M	44.3	Very low	41.8	Very low	54 Å²	54	66.5 Å²	66.5	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-33.4	-177.8	-156.6	162.7	70.7	0	0	112.5	A211 L216 D385 L393	A211-M389 WeakPolarHBondContact O-CE 3.2Å; L216-M389 HydrophobicContact CD1-CE 4.37Å; L216-M389 HydrophobicContact CD1-CG 4.12Å; L216-M389 HydrophobicContact CD1-SD 4.49Å; L216-M389 HydrophobicContact CD2-CG 3.86Å; L216-M389 HydrophobicContact CD2-SD 3.78Å; D385-M389 VanDerWaalsContact O-CB 3.27Å; D385-M389 WeakPolarHBondContact O-CB 3.49Å; D385-M389 PolarHBondContact O-N 3.42Å; M389-L393 VanDerWaalsContact O-CB 3.25Å; M389-L393 WeakPolarHBondContact O-CB 3.31Å; M389-L393 PolarHBondContact O-N 2.91Å
390	K	41.7	Very low	42.2	Very low	93 Å²	93	60.6 Å²	60.6	40%	0.404	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-46.7	169.2	-81.3	178.2	172.9	-175.8	0	112.6	Y386 L387 A388 L393 G394	Y386-K390 HydrophobicContact CE1-CD 4.43Å; Y386-K390 WeakPolarHBondContact O-CG 3.44Å; Y386-K390 PolarHBondContact O-N 2.95Å; Y386-K390 VanDerWaalsContact O-N 3.11Å; L387-K390 WeakPolarHBondContact O-CB 3.2Å; L387-K390 PolarHBondContact O-N 3.46Å; A388-K390 VanDerWaalsContact C-N 3.32Å; A388-K390 PolarHBondContact O-N 3.32Å; K390-L393 PolarHBondContact O-N 3.27Å; K390-G394 PolarHBondContact O-N 2.85Å
391	L	44.4	Very low	42.8	Very low	67 Å²	67	58.4 Å²	58.4	35%	0.351	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-45.2	178.7	-112.7	154.1	0	0	0	111.4	L387 A388 L393 G394 M395	L387-L391 PolarHBondContact O-N 3.17Å; A388-L391 WeakPolarHBondContact O-CB 3.16Å; A388-L391 PolarHBondContact O-N 3.01Å; A388-L391 VanDerWaalsContact O-N 3.09Å; L391-L393 PolarHBondContact O-N 3.08Å; L391-G394 PolarHBondContact O-N 2.85Å; L391-M395 WeakPolarHBondContact O-CB 3.45Å; L391-M395 PolarHBondContact O-N 3.28Å
392	T	45.4	Very low	43.4	Very low	16 Å²	16	59.1 Å²	59.1	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-46.9	173.4	-54.1	0	0	0	0	111.8	I329 L365 A388 M395 T396	I329-T392 HydrophobicContact CG2-CG2 3.69Å; L365-T392 HydrophobicContact CD1-CG2 3.65Å; L365-T392 WeakPolarHBondContact CD1-OG1 3.49Å; L365-T392 WeakPolarHBondContact CD2-OG1 2.76Å; A388-T392 PolarHBondContact O-N 3.49Å; A388-T392 PolarHBondContact O-OG1 3.48Å; T392-M395 PolarHBondContact O-N 2.8Å; T392-T396 WeakPolarHBondContact O-CB 3.29Å; T392-T396 PolarHBondContact O-N 2.75Å; T392-T396 PolarHBondContact O-OG1 2.92Å
393	L	44.9	Very low	43.7	Very low	46 Å²	46	56.6 Å²	56.6	24%	0.241	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-42.8	179.8	-170.1	70.8	0	0	0	110.9	L216 L220 M389 K390 L391 T396 I397	L216-L393 HydrophobicContact CD1-CD1 4.22Å; L216-L393 HydrophobicContact CD1-CD2 4.16Å; L220-L393 HydrophobicContact CD1-CD1 4.49Å; L220-L393 HydrophobicContact CD2-CD1 4.28Å; L220-L393 HydrophobicContact CG-CD1 4.11Å; M389-L393 VanDerWaalsContact O-CB 3.25Å; M389-L393 WeakPolarHBondContact O-CB 3.31Å; M389-L393 PolarHBondContact O-N 2.91Å; K390-L393 PolarHBondContact O-N 3.27Å; L391-L393 PolarHBondContact O-N 3.08Å; L393-T396 WeakPolarHBondContact CA-OG1 3.15Å; L393-T396 PolarHBondContact O-N 2.91Å; L393-T396 PolarHBondContact O-OG1 3.16Å; L393-I397 HydrophobicContact CD1-CD1 4.37Å; L393-I397 HydrophobicContact CG-CD1 3.89Å; L393-I397 WeakPolarHBondContact O-CB 3.49Å; L393-I397 WeakPolarHBondContact O-CD1 3.38Å; L393-I397 WeakPolarHBondContact O-CG1 3.47Å; L393-I397 PolarHBondContact O-N 3.21Å
394	G	44.3	Very low	44.1	Very low	24 Å²	24	53.3 Å²	53.3	25%	0.247	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-48.7	173.7	0	0	0	0	0	112.8	K390 L391 I397 C398	K390-G394 PolarHBondContact O-N 2.85Å; L391-G394 PolarHBondContact O-N 2.85Å; G394-I397 PolarHBondContact O-N 3.16Å; G394-C398 WeakPolarHBondContact O-CB 3.35Å; G394-C398 PolarHBondContact O-N 3.04Å
395	M	46	Very low	44.3	Very low	86 Å²	86	53 Å²	53	42%	0.424	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-41.3	178	-78.4	179	157.3	0	0	113.1	L391 T392 C398 N399 A463	L391-M395 WeakPolarHBondContact O-CB 3.45Å; L391-M395 PolarHBondContact O-N 3.28Å; T392-M395 PolarHBondContact O-N 2.8Å; M395-C398 PolarHBondContact O-N 3.1Å; M395-N399 WeakPolarHBondContact O-CB 3.29Å; M395-N399 PolarHBondContact O-N 3.47Å; M395-N399 PolarHBondContact O-ND2 3.06Å; M395-A463 HydrophobicContact SD-CB 4.11Å
396	T	44.6	Very low	44.5	Very low	11 Å²	11	55.7 Å²	55.7	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-39.1	177.3	39.1	0	0	0	0	112.1	I329 T392 L393 C398 N399 F400	I329-T396 HydrophobicContact CD1-CG2 3.82Å; I329-T396 HydrophobicContact CG1-CG2 4.08Å; T392-T396 WeakPolarHBondContact O-CB 3.29Å; T392-T396 PolarHBondContact O-N 2.75Å; T392-T396 PolarHBondContact O-OG1 2.92Å; L393-T396 WeakPolarHBondContact CA-OG1 3.15Å; L393-T396 PolarHBondContact O-N 2.91Å; L393-T396 PolarHBondContact O-OG1 3.16Å; T396-C398 VanDerWaalsContact C-N 3.32Å; T396-C398 PolarHBondContact O-N 3.22Å; T396-N399 PolarHBondContact O-N 3.32Å; T396-F400 WeakPolarHBondContact O-CB 3.33Å; T396-F400 PolarHBondContact O-N 2.97Å
397	I	44.9	Very low	44.7	Very low	47 Å²	47	58.8 Å²	58.8	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-44.1	171.9	-69.2	165	0	0	0	110.5	L223 L393 G394 K401	L223-I397 HydrophobicContact CD1-CD1 3.57Å; L223-I397 HydrophobicContact CD1-CG1 4.21Å; L223-I397 HydrophobicContact CD2-CD1 4.15Å; L223-I397 HydrophobicContact CD2-CG1 3.84Å; L223-I397 HydrophobicContact CD2-CG2 4.42Å; L393-I397 HydrophobicContact CD1-CD1 4.37Å; L393-I397 HydrophobicContact CG-CD1 3.89Å; L393-I397 WeakPolarHBondContact O-CB 3.49Å; L393-I397 WeakPolarHBondContact O-CD1 3.38Å; L393-I397 WeakPolarHBondContact O-CG1 3.47Å; L393-I397 PolarHBondContact O-N 3.21Å; G394-I397 PolarHBondContact O-N 3.16Å; I397-K401 WeakPolarHBondContact O-CB 3.22Å; I397-K401 PolarHBondContact O-N 3.37Å
398	C	44.4	Very low	44.6	Very low	45 Å²	45	60 Å²	60	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-46.2	179.4	-123.1	0	0	0	0	112.5	G394 M395 T396 K401 H402	G394-C398 WeakPolarHBondContact O-CB 3.35Å; G394-C398 PolarHBondContact O-N 3.04Å; M395-C398 PolarHBondContact O-N 3.1Å; T396-C398 VanDerWaalsContact C-N 3.32Å; T396-C398 PolarHBondContact O-N 3.22Å; C398-K401 PolarHBondContact O-N 2.92Å; C398-H402 WeakPolarHBondContact O-CB 3.47Å; C398-H402 PolarHBondContact O-N 3.04Å
399	N	44.9	Very low	44.3	Very low	61 Å²	61	64.1 Å²	64.1	33%	0.326	32%	0.318	S	S	.	.	H	α-helix	trans	-70.4	-36.3	178.7	-78.9	-37.7	0	0	0	112.7	M327 F363 M395 T396 K401 H402 H403	M327-N399 HydrophobicContact CE-CB 4.15Å; F363-N399 WeakPolarHBondContact CE1-ND2 3.38Å; F363-N399 HydrophobicContact CZ-CB 4.14Å; F363-N399 WeakPolarHBondContact CZ-ND2 3.31Å; M395-N399 WeakPolarHBondContact O-CB 3.29Å; M395-N399 PolarHBondContact O-N 3.47Å; M395-N399 PolarHBondContact O-ND2 3.06Å; T396-N399 PolarHBondContact O-N 3.32Å; N399-K401 VanDerWaalsContact C-N 3.34Å; N399-H402 PolarHBondContact O-N 2.83Å; N399-H403 WeakPolarHBondContact O-CB 3.45Å; N399-H403 PolarHBondContact O-N 3.1Å
400	F	45.3	Very low	44.1	Very low	38 Å²	38	65.5 Å²	65.5	17%	0.167	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-40.3	173	-164.7	-107	0	0	0	110.8	L224 L227 M327 T396 H403 I404	L224-F400 HydrophobicContact CD2-CD1 4.14Å; L224-F400 HydrophobicContact CD2-CE1 3.42Å; L224-F400 VanDerWaalsContact CD2-CE1 3.42Å; L224-F400 HydrophobicContact CD2-CZ 3.91Å; L227-F400 HydrophobicContact CD1-CD1 4.2Å; L227-F400 HydrophobicContact CD1-CE1 4.38Å; M327-F400 HydrophobicContact CE-CB 4.37Å; M327-F400 HydrophobicContact SD-CB 4.31Å; M327-F400 HydrophobicContact SD-CD2 3.77Å; T396-F400 WeakPolarHBondContact O-CB 3.33Å; T396-F400 PolarHBondContact O-N 2.97Å; F400-H403 PolarHBondContact O-N 2.96Å; F400-I404 HydrophobicContact CD1-CD1 3.64Å; F400-I404 HydrophobicContact CD1-CG1 4.45Å; F400-I404 HydrophobicContact CE1-CD1 3.4Å; F400-I404 VanDerWaalsContact CE1-CD1 3.4Å; F400-I404 HydrophobicContact CE1-CG1 4.39Å; F400-I404 HydrophobicContact CG-CD1 4.45Å; F400-I404 HydrophobicContact CZ-CD1 4.04Å; F400-I404 VanDerWaalsContact O-CB 3.3Å; F400-I404 WeakPolarHBondContact O-CB 3.45Å; F400-I404 VanDerWaalsContact O-CG1 3.28Å; F400-I404 WeakPolarHBondContact O-CG1 3.48Å; F400-I404 PolarHBondContact O-N 3.19Å
401	K	45.2	Very low	43.9	Very low	104 Å²	104	69.2 Å²	69.2	45%	0.452	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-40.2	173.2	-165.9	177.7	-172.6	-178.7	0	112.3	I397 C398 N399 Q405	I397-K401 WeakPolarHBondContact O-CB 3.22Å; I397-K401 PolarHBondContact O-N 3.37Å; C398-K401 PolarHBondContact O-N 2.92Å; N399-K401 VanDerWaalsContact C-N 3.34Å; K401-Q405 VanDerWaalsContact O-CB 3.27Å; K401-Q405 WeakPolarHBondContact O-CB 3.43Å; K401-Q405 WeakPolarHBondContact O-CG 3.2Å; K401-Q405 PolarHBondContact O-N 3.32Å
402	H	46.3	Very low	43.1	Very low	74 Å²	74	73.9 Å²	73.9	34%	0.343	38%	0.377	S	S	.	.	H	α-helix	trans	-69.2	-36.2	176.1	-166.4	-48.9	0	0	0	112.4	C398 N399 Q405 Q406	C398-H402 WeakPolarHBondContact O-CB 3.47Å; C398-H402 PolarHBondContact O-N 3.04Å; N399-H402 PolarHBondContact O-N 2.83Å; H402-Q405 PolarHBondContact O-N 3.25Å; H402-Q406 PolarHBondContact CE1-NE2 2.93Å; H402-Q406 WeakPolarHBondContact O-CB 3.24Å; H402-Q406 PolarHBondContact O-N 2.81Å
403	H	45.3	Very low	42.2	Very low	64 Å²	64	80.8 Å²	80.8	30%	0.296	41%	0.413	S	S	.	.	H	α-helix	trans	-76	-36.5	179	-164.2	-33.3	0	0	0	111.7	Y361 N399 F400 Q406 M407	Y361-H403 AromaticContact CD1-NE2 3.78Å; Y361-H403 AromaticContact CE1-NE2 3.32Å; Y361-H403 VanDerWaalsContact CE1-NE2 3.32Å; Y361-H403 WeakPolarHBondContact CE1-NE2 3.27Å; N399-H403 WeakPolarHBondContact O-CB 3.45Å; N399-H403 PolarHBondContact O-N 3.1Å; F400-H403 PolarHBondContact O-N 2.96Å; H403-Q406 PolarHBondContact O-N 3.29Å; H403-M407 PolarHBondContact O-N 3.02Å
404	I	45.3	Very low	41.3	Very low	25 Å²	25	82.9 Å²	82.9	13%	0.128	43%	0.431	C	S	.	.	H	α-helix	trans	-63.1	-47.3	167.3	-75	179.6	0	0	0	109.8	F400 Q406 M407 E408	F400-I404 HydrophobicContact CD1-CD1 3.64Å; F400-I404 HydrophobicContact CD1-CG1 4.45Å; F400-I404 HydrophobicContact CE1-CD1 3.4Å; F400-I404 VanDerWaalsContact CE1-CD1 3.4Å; F400-I404 HydrophobicContact CE1-CG1 4.39Å; F400-I404 HydrophobicContact CG-CD1 4.45Å; F400-I404 HydrophobicContact CZ-CD1 4.04Å; F400-I404 VanDerWaalsContact O-CB 3.3Å; F400-I404 WeakPolarHBondContact O-CB 3.45Å; F400-I404 VanDerWaalsContact O-CG1 3.28Å; F400-I404 WeakPolarHBondContact O-CG1 3.48Å; F400-I404 PolarHBondContact O-N 3.19Å; I404-Q406 VanDerWaalsContact C-N 3.34Å; I404-Q406 PolarHBondContact O-N 3.02Å; I404-M407 PolarHBondContact O-N 3.25Å; I404-E408 VanDerWaalsContact CG2-CD 3.42Å; I404-E408 HydrophobicContact CG2-CG 4.35Å; I404-E408 VanDerWaalsContact CG2-OE1 3.28Å; I404-E408 WeakPolarHBondContact CG2-OE1 3.21Å; I404-E408 WeakPolarHBondContact CG2-OE2 3.42Å; I404-E408 WeakPolarHBondContact O-CB 3.41Å; I404-E408 WeakPolarHBondContact O-CG 3.24Å; I404-E408 PolarHBondContact O-N 2.94Å
405	Q	45.2	Very low	40.6	Very low	54 Å²	54	90.4 Å²	90.4	25%	0.252	46%	0.46	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.1	-79.9	172.9	-21.9	0	0	112.4	K401 H402 Q409	K401-Q405 VanDerWaalsContact O-CB 3.27Å; K401-Q405 WeakPolarHBondContact O-CB 3.43Å; K401-Q405 WeakPolarHBondContact O-CG 3.2Å; K401-Q405 PolarHBondContact O-N 3.32Å; H402-Q405 PolarHBondContact O-N 3.25Å; Q405-Q409 WeakPolarHBondContact O-CA 3.43Å; Q405-Q409 WeakPolarHBondContact O-CB 3.44Å; Q405-Q409 WeakPolarHBondContact O-CG 3.24Å; Q405-Q409 PolarHBondContact O-N 2.95Å
406	Q	45	Very low	39.8	Very low	115 Å²	115	91.8 Å²	91.8	54%	0.537	47%	0.468	S	S	.	.	H	α-helix	trans	-68.7	-38.8	174.9	-83.2	-173.8	-14.9	0	0	113.1	H402 H403 I404 A410	H402-Q406 PolarHBondContact CE1-NE2 2.93Å; H402-Q406 WeakPolarHBondContact O-CB 3.24Å; H402-Q406 PolarHBondContact O-N 2.81Å; H403-Q406 PolarHBondContact O-N 3.29Å; I404-Q406 VanDerWaalsContact C-N 3.34Å; I404-Q406 PolarHBondContact O-N 3.02Å; Q406-A410 WeakPolarHBondContact O-CB 3.42Å; Q406-A410 PolarHBondContact O-N 3.48Å
407	M	45	Very low	39	Very low	121 Å²	121	96.7 Å²	96.7	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-69	-33.9	175.2	-79.6	-161.5	167.5	0	0	112.9	H403 I404	H403-M407 PolarHBondContact O-N 3.02Å; I404-M407 PolarHBondContact O-N 3.25Å
408	E	40.6	Very low	38.4	Very low	103 Å²	103	103.6 Å²	103.6	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-78.8	-35.3	176.4	-69.8	168.7	-178.5	0	0	111.2	R229 I404 A410 Q411 Q412	R229-E408 IonicContact CZ-OE1 2.64Å; R229-E408 IonicContact NH1-OE1 3.25Å; R229-E408 PolarHBondContact NH1-OE1 3.29Å; R229-E408 IonicContact NH2-OE1 3.81Å; R229-E408 PolarHBondContact NH2-OE1 2.68Å; I404-E408 VanDerWaalsContact CG2-CD 3.42Å; I404-E408 HydrophobicContact CG2-CG 4.35Å; I404-E408 VanDerWaalsContact CG2-OE1 3.28Å; I404-E408 WeakPolarHBondContact CG2-OE1 3.21Å; I404-E408 WeakPolarHBondContact CG2-OE2 3.42Å; I404-E408 WeakPolarHBondContact O-CB 3.41Å; I404-E408 WeakPolarHBondContact O-CG 3.24Å; I404-E408 PolarHBondContact O-N 2.94Å; E408-A410 VanDerWaalsContact C-N 3.33Å; E408-A410 PolarHBondContact O-N 2.9Å; E408-Q411 PolarHBondContact O-N 3.21Å; E408-Q411 VanDerWaalsContact O-N 3.17Å; E408-Q412 PolarHBondContact O-N 3.45Å
409	Q	38	Very low	37.7	Very low	99 Å²	99	107.7 Å²	107.7	46%	0.463	55%	0.547	S	S	.	.	H	α-helix	trans	-74.5	-18.6	174.2	-71.9	168	2.1	0	0	113.8	Q405 Q411	Q405-Q409 WeakPolarHBondContact O-CA 3.43Å; Q405-Q409 WeakPolarHBondContact O-CB 3.44Å; Q405-Q409 WeakPolarHBondContact O-CG 3.24Å; Q405-Q409 PolarHBondContact O-N 2.95Å; Q409-Q411 PolarHBondContact O-N 2.99Å; Q409-Q411 VanDerWaalsContact O-N 3.17Å
410	A	39.8	Very low	37	Very low	83 Å²	83	110.8 Å²	110.8	69%	0.686	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-8.8	167.1	0	0	0	0	0	113	Q406 E408	Q406-A410 WeakPolarHBondContact O-CB 3.42Å; Q406-A410 PolarHBondContact O-N 3.48Å; E408-A410 VanDerWaalsContact C-N 3.33Å; E408-A410 PolarHBondContact O-N 2.9Å
411	Q	36.8	Very low	36.3	Very low	170 Å²	170	109.9 Å²	109.9	79%	0.794	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-23.4	174.4	-73.4	-171	-32.5	0	0	115.4	E408 Q409	E408-Q411 PolarHBondContact O-N 3.21Å; E408-Q411 VanDerWaalsContact O-N 3.17Å; Q409-Q411 PolarHBondContact O-N 2.99Å; Q409-Q411 VanDerWaalsContact O-N 3.17Å
412	Q	27.2	Very low	35.7	Very low	166 Å²	166	110.3 Å²	110.3	78%	0.776	57%	0.567	S	S	*	*	S	Bend	trans	-153.2	138.8	178.6	-106.8	145.8	47.9	0	0	114.3	E408	E408-Q412 PolarHBondContact O-N 3.45Å
413	L	26.4	Very low	35	Very low	161 Å²	161	111.2 Å²	111.2	84%	0.843	57%	0.568	S	S	*	*			trans	-89	146.2	-170.3	-144.1	88.4	0	0	0	113.2
414	S	27.9	Very low	34.4	Very low	90 Å²	90	109.8 Å²	109.8	63%	0.629	57%	0.571	S	S	*	*			trans	90.8	139.3	152.2	83	0	0	0	0	121
415	Q	28.9	Very low	33.5	Very low	182 Å²	182	113.5 Å²	113.5	85%	0.85	60%	0.599	S	S	*	*			trans	73.9	104.6	163.3	-51.8	-171.8	17.3	0	0	119.3
416	L	28.4	Very low	32.7	Very low	115 Å²	115	113.3 Å²	113.3	60%	0.602	60%	0.6	S	S	*	*			trans	-142.8	147.3	157.3	-97.2	139.3	0	0	0	110
417	P	28.4	Very low	31.8	Very low	113 Å²	113	115 Å²	115	73%	0.734	61%	0.612	S	S	*	*			trans	-77.4	154.8	-170	-14	31	0	0	0	114.2
418	K	33.3	Very low	31	Very low	193 Å²	193	117.4 Å²	117.4	84%	0.839	63%	0.628	S	S	*	*	S	Bend	trans	-91.2	-5.5	-167.7	-70.5	-177.9	175.4	177.6	0	116.6
419	D	29.7	Very low	30.2	Very low	131 Å²	131	114.8 Å²	114.8	70%	0.701	62%	0.624	S	S	*	*			trans	-108.6	-0.3	-154.6	-63.4	-49.6	0	0	0	117.5	G421	D419-G421 PolarHBondContact O-N 3.47Å
420	N	29.8	Very low	29.9	Very low	126 Å²	126	115.4 Å²	115.4	67%	0.674	63%	0.634	S	S	*	*			trans	-81.1	115.9	-179.4	-68.2	-3.7	0	0	0	110.9	I435	N420-I435 WeakPolarHBondContact O-CD1 3.14Å; N420-I435 VanDerWaalsContact O-CG1 3.24Å; N420-I435 WeakPolarHBondContact O-CG1 3.43Å
421	G	30.4	Very low	29.4	Very low	19 Å²	19	113.1 Å²	113.1	20%	0.196	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	154.5	174.9	0	0	0	0	0	111.8	D419 I433	D419-G421 PolarHBondContact O-N 3.47Å; G421-I433 CarbonylContact C-O 3.5Å; G421-I433 WeakPolarHBondContact CA-O 3.26Å
422	F	31.4	Very low	29.2	Very low	112 Å²	112	110.8 Å²	110.8	49%	0.491	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.9	136.1	178.7	-129.4	-86.1	0	0	0	110.3	K432 I433	F422-K432 WeakPolarHBondContact O-CA 3.43Å; F422-I433 HydrophobicContact CB-CB 4.22Å; F422-I433 PolarHBondContact N-O 3.1Å; F422-I433 PolarHBondContact O-N 3.5Å
423	Y	33.2	Very low	29.5	Very low	94 Å²	94	105.9 Å²	105.9	37%	0.369	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	119.8	174.5	-64.8	-75.5	0	0	0	110.8	T430 L431 K432	Y423-T430 HydrophobicContact CD1-CG2 4.16Å; Y423-L431 WeakPolarHBondContact CA-O 3.29Å; Y423-K432 HydrophobicContact CD1-CB 4.19Å; Y423-K432 HydrophobicContact CD1-CG 4.37Å; Y423-K432 HydrophobicContact CE1-CB 3.91Å; Y423-K432 HydrophobicContact CE1-CD 3.98Å; Y423-K432 HydrophobicContact CE1-CG 3.75Å
424	G	31.3	Very low	29.7	Very low	33 Å²	33	100.7 Å²	100.7	34%	0.34	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122	131.8	173.1	0	0	0	0	0	111.2	L431	G424-L431 PolarHBondContact N-O 2.7Å; G424-L431 WeakPolarHBondContact O-CB 3.29Å; G424-L431 PolarHBondContact O-N 2.94Å
425	S	27.5	Very low	29.8	Very low	104 Å²	104	100.9 Å²	100.9	73%	0.727	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.9	172.5	-174.8	0	0	0	0	110.7	A429	S425-A429 WeakPolarHBondContact CA-O 3.47Å
426	L	28.5	Very low	29.9	Very low	50 Å²	50	99.6 Å²	99.6	26%	0.262	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	116.1	171.3	-142.7	101.8	0	0	0	107.8	N428 A429 F458	L426-N428 PolarHBondContact O-N 3.04Å; L426-A429 PolarHBondContact N-O 3.42Å; L426-A429 WeakPolarHBondContact O-CB 3.45Å; L426-A429 PolarHBondContact O-N 2.94Å; L426-F458 HydrophobicContact CD1-CE2 4.18Å; L426-F458 HydrophobicContact CD2-CD2 4.33Å; L426-F458 HydrophobicContact CD2-CE2 4.04Å
427	N	25.7	Very low	29.9	Very low	149 Å²	149	98.6 Å²	98.6	80%	0.797	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	34	71	177.4	-70.1	-9.5	0	0	0	114.9	A429	N427-A429 PolarHBondContact O-N 3.36Å; N427-A429 VanDerWaalsContact O-N 3.08Å
428	N	27.2	Very low	29.8	Very low	173 Å²	173	98.4 Å²	98.4	93%	0.925	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	-4.4	-178.6	-59.3	-18	0	0	0	117	L426	L426-N428 PolarHBondContact O-N 3.04Å
429	A	25.7	Very low	29.7	Very low	48 Å²	48	95.7 Å²	95.7	40%	0.397	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.9	172.2	0	0	0	0	0	112.1	S425 L426 N427	S425-A429 WeakPolarHBondContact CA-O 3.47Å; L426-A429 PolarHBondContact N-O 3.42Å; L426-A429 WeakPolarHBondContact O-CB 3.45Å; L426-A429 PolarHBondContact O-N 2.94Å; N427-A429 PolarHBondContact O-N 3.36Å; N427-A429 VanDerWaalsContact O-N 3.08Å
430	T	29.9	Very low	29.6	Very low	111 Å²	111	91.7 Å²	91.7	68%	0.681	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	101.9	172.4	-31.8	0	0	0	0	108.3	Y423 K432	Y423-T430 HydrophobicContact CD1-CG2 4.16Å; T430-K432 PolarHBondContact O-N 3.41Å
431	L	31	Very low	29.6	Very low	36 Å²	36	89.2 Å²	89.2	19%	0.188	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.3	-175.7	-159.4	134.6	0	0	0	109.8	Y423 G424 I433 F458	Y423-L431 WeakPolarHBondContact CA-O 3.29Å; G424-L431 PolarHBondContact N-O 2.7Å; G424-L431 WeakPolarHBondContact O-CB 3.29Å; G424-L431 PolarHBondContact O-N 2.94Å; L431-I433 HydrophobicContact CD2-CD1 4.14Å; L431-I433 HydrophobicContact CD2-CG1 3.59Å; L431-F458 HydrophobicContact CD1-CD2 4.34Å; L431-F458 HydrophobicContact CD1-CE2 3.54Å; L431-F458 HydrophobicContact CD1-CZ 3.69Å; L431-F458 HydrophobicContact CD2-CE1 4.38Å; L431-F458 HydrophobicContact CD2-CZ 3.84Å; L431-F458 HydrophobicContact CG-CZ 4.37Å
432	K	32.2	Very low	29.5	Very low	120 Å²	120	91.1 Å²	91.1	52%	0.522	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.9	177.2	-175.4	178.2	-175.6	176.5	0	109.1	F422 Y423 T430 P434	F422-K432 WeakPolarHBondContact O-CA 3.43Å; Y423-K432 HydrophobicContact CD1-CB 4.19Å; Y423-K432 HydrophobicContact CD1-CG 4.37Å; Y423-K432 HydrophobicContact CE1-CB 3.91Å; Y423-K432 HydrophobicContact CE1-CD 3.98Å; Y423-K432 HydrophobicContact CE1-CG 3.75Å; T430-K432 PolarHBondContact O-N 3.41Å; K432-P434 VanDerWaalsContact O-CD 3.27Å; K432-P434 WeakPolarHBondContact O-CD 3.49Å
433	I	33.6	Very low	29.4	Very low	64 Å²	64	91.3 Å²	91.3	33%	0.328	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.3	176.1	-54.4	178.6	0	0	0	108.3	G421 F422 L431 L441	G421-I433 CarbonylContact C-O 3.5Å; G421-I433 WeakPolarHBondContact CA-O 3.26Å; F422-I433 HydrophobicContact CB-CB 4.22Å; F422-I433 PolarHBondContact N-O 3.1Å; F422-I433 PolarHBondContact O-N 3.5Å; L431-I433 HydrophobicContact CD2-CD1 4.14Å; L431-I433 HydrophobicContact CD2-CG1 3.59Å; I433-L441 HydrophobicContact CG2-CD1 4.46Å
434	P	29.5	Very low	29.2	Very low	52 Å²	52	93 Å²	93	34%	0.338	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.3	178.3	29.5	-34.8	0	0	0	111.5	K432 K436 L441	K432-P434 VanDerWaalsContact O-CD 3.27Å; K432-P434 WeakPolarHBondContact O-CD 3.49Å; P434-K436 PolarHBondContact O-N 3.42Å; P434-L441 HydrophobicContact CG-CD1 4.3Å
435	I	31.2	Very low	29.2	Very low	94 Å²	94	94.9 Å²	94.9	48%	0.482	52%	0.523	S	S	.	.			trans	-80.7	96.2	171.9	-58.4	177.3	0	0	0	108.5	N420	N420-I435 WeakPolarHBondContact O-CD1 3.14Å; N420-I435 VanDerWaalsContact O-CG1 3.24Å; N420-I435 WeakPolarHBondContact O-CG1 3.43Å
436	K	29.4	Very low	29.3	Very low	155 Å²	155	96.2 Å²	96.2	67%	0.674	52%	0.518	S	S	*	.			trans	-129.8	147.5	163.9	-81.9	-173.1	174.7	-179.4	0	109.7	P434 D438	P434-K436 PolarHBondContact O-N 3.42Å; K436-D438 PolarHBondContact O-N 2.84Å
437	S	29.8	Very low	29.6	Very low	94 Å²	94	100.8 Å²	100.8	66%	0.657	54%	0.538	S	S	*	.	S	Bend	trans	-66.7	-13	176.7	45.9	0	0	0	0	114.1
438	D	26	Very low	30.1	Very low	108 Å²	108	98.8 Å²	98.8	58%	0.578	52%	0.523	S	S	*	.	S	Bend	trans	-117.1	141.6	-164.7	-38.2	-28.2	0	0	0	110.6	K436 S440	K436-D438 PolarHBondContact O-N 2.84Å; D438-S440 PolarHBondContact O-N 3.17Å; D438-S440 PolarHBondContact O-OG 2.74Å
439	L	31.2	Very low	30.4	Very low	137 Å²	137	95.5 Å²	95.5	72%	0.717	51%	0.512	S	S	*	.			trans	-59.8	21.3	-165.5	-129.7	78.4	0	0	0	118.1	L441	L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.17Å; L439-L441 VanDerWaalsContact O-N 3.15Å
440	S	28	Very low	30.9	Very low	47 Å²	47	102.1 Å²	102.1	33%	0.329	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.6	-162.7	55.2	0	0	0	0	117.7	D438 A442 I443	D438-S440 PolarHBondContact O-N 3.17Å; D438-S440 PolarHBondContact O-OG 2.74Å; S440-A442 PolarHBondContact O-N 3.06Å; S440-A442 VanDerWaalsContact O-N 3.14Å; S440-I443 PolarHBondContact O-N 3.41Å
441	L	29.3	Very low	31	Very low	73 Å²	73	101.8 Å²	101.8	38%	0.382	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-28	-173.5	-132.9	92.6	0	0	0	113.8	I433 P434 L439 I443 F445	I433-L441 HydrophobicContact CG2-CD1 4.46Å; P434-L441 HydrophobicContact CG-CD1 4.3Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.17Å; L439-L441 VanDerWaalsContact O-N 3.15Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 3.25Å; L441-F445 VanDerWaalsContact O-CD2 3.31Å; L441-F445 WeakPolarHBondContact O-CD2 3.4Å
442	A	28.5	Very low	31.1	Very low	59 Å²	59	103 Å²	103	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-72.9	-19.7	-177	0	0	0	0	0	114.3	S440	S440-A442 PolarHBondContact O-N 3.06Å; S440-A442 VanDerWaalsContact O-N 3.14Å
443	I	27.9	Very low	31.1	Very low	117 Å²	117	104.7 Å²	104.7	60%	0.6	55%	0.546	S	S	*	.	H	α-helix	trans	-86.7	-32.5	-170.9	-62	173.8	0	0	0	111.8	S440 L441 F445 H446	S440-I443 PolarHBondContact O-N 3.41Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 3.25Å; I443-F445 PolarHBondContact O-N 3.42Å; I443-H446 WeakPolarHBondContact O-CB 3.41Å; I443-H446 PolarHBondContact O-N 3.27Å
444	Q	30.5	Very low	30.9	Very low	130 Å²	130	104 Å²	104	61%	0.607	55%	0.55	S	S	*	*	H	α-helix	trans	-74.3	-22.5	-177.3	-71.5	-168.9	-69.4	0	0	114.5	H446	Q444-H446 PolarHBondContact O-N 2.9Å; Q444-H446 VanDerWaalsContact O-N 3.16Å
445	F	31.1	Very low	30.9	Very low	71 Å²	71	102.1 Å²	102.1	31%	0.311	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.9	175.3	-72.8	-76.7	0	0	0	113.6	L441 I443 A455	L441-F445 VanDerWaalsContact O-CD2 3.31Å; L441-F445 WeakPolarHBondContact O-CD2 3.4Å; I443-F445 PolarHBondContact O-N 3.42Å; F445-A455 HydrophobicContact CD1-CB 3.93Å; F445-A455 HydrophobicContact CE1-CB 4.23Å; F445-A455 HydrophobicContact CG-CB 4.34Å
446	H	30.1	Very low	30.8	Very low	132 Å²	132	103.6 Å²	103.6	61%	0.611	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.1	-177.1	-137.5	-55.5	0	0	0	114.1	I443 Q444	I443-H446 WeakPolarHBondContact O-CB 3.41Å; I443-H446 PolarHBondContact O-N 3.27Å; Q444-H446 PolarHBondContact O-N 2.9Å; Q444-H446 VanDerWaalsContact O-N 3.16Å
447	E	34	Very low	30.9	Very low	147 Å²	147	101.3 Å²	101.3	69%	0.687	54%	0.542	S	S	*	.	S	Bend	trans	-93	-15.6	-174	-64.4	-174.9	139.4	0	0	114.3
448	H	36.1	Very low	31	Very low	106 Å²	106	100.5 Å²	100.5	49%	0.491	53%	0.527	S	S	.	.			trans	-131.7	92.8	-176.9	-70.1	-42.6	0	0	0	112.6	E450 Q451	H448-E450 VanDerWaalsContact C-N 3.25Å; H448-E450 PolarHBondContact O-N 2.92Å; H448-E450 VanDerWaalsContact O-N 3.17Å; H448-Q451 HydrophobicContact CB-CB 4.32Å; H448-Q451 HydrophobicContact CB-CG 4.04Å; H448-Q451 PolarHBondContact O-N 3.34Å
449	P	32.9	Very low	31.3	Very low	104 Å²	104	102.2 Å²	102.2	68%	0.675	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-63.3	-26.2	-172.8	23.5	-33.4	0	0	0	114.1	Q451 S452	P449-Q451 VanDerWaalsContact C-N 3.26Å; P449-Q451 PolarHBondContact O-N 2.69Å; P449-S452 VanDerWaalsContact O-CB 3.31Å; P449-S452 WeakPolarHBondContact O-CB 3.26Å; P449-S452 PolarHBondContact O-N 3.4Å; P449-S452 PolarHBondContact O-OG 3.33Å
450	E	37.4	Very low	31.6	Very low	187 Å²	187	98.4 Å²	98.4	87%	0.874	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-69.9	-21.1	175.6	-62.2	-176.8	168.1	0	0	113.1	H448	H448-E450 VanDerWaalsContact C-N 3.25Å; H448-E450 PolarHBondContact O-N 2.92Å; H448-E450 VanDerWaalsContact O-N 3.17Å
451	Q	32.4	Very low	32	Very low	104 Å²	104	98.8 Å²	98.8	49%	0.486	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-86.4	-11.6	176.2	-61.6	-179	2.4	0	0	112.7	H448 P449 Q453 A454 A455	H448-Q451 HydrophobicContact CB-CB 4.32Å; H448-Q451 HydrophobicContact CB-CG 4.04Å; H448-Q451 PolarHBondContact O-N 3.34Å; P449-Q451 VanDerWaalsContact C-N 3.26Å; P449-Q451 PolarHBondContact O-N 2.69Å; Q451-Q453 PolarHBondContact O-N 2.95Å; Q451-A454 PolarHBondContact O-N 3.25Å; Q451-A455 PolarHBondContact O-N 3.1Å
452	S	32.5	Very low	32.4	Very low	61 Å²	61	97.4 Å²	97.4	43%	0.427	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-28.9	-178.9	69	0	0	0	0	113.7	P449 A455 L456	P449-S452 VanDerWaalsContact O-CB 3.31Å; P449-S452 WeakPolarHBondContact O-CB 3.26Å; P449-S452 PolarHBondContact O-N 3.4Å; P449-S452 PolarHBondContact O-OG 3.33Å; S452-A455 WeakPolarHBondContact O-CB 3.49Å; S452-A455 PolarHBondContact O-N 3.22Å; S452-L456 PolarHBondContact O-N 3.1Å; S452-L456 VanDerWaalsContact O-N 3.13Å
453	Q	32	Very low	32.8	Very low	157 Å²	157	96.9 Å²	96.9	73%	0.734	49%	0.493	S	S	*	.	H	α-helix	trans	-74.7	-28.5	-178.5	-143.4	166.5	5.2	0	0	112.4	Q451	Q451-Q453 PolarHBondContact O-N 2.95Å
454	A	29.7	Very low	33.5	Very low	50 Å²	50	94.4 Å²	94.4	41%	0.413	48%	0.477	S	S	.	.	H	α-helix	trans	-79.6	-26.6	169.3	0	0	0	0	0	112.5	Q451 L456	Q451-A454 PolarHBondContact O-N 3.25Å; A454-L456 VanDerWaalsContact C-N 3.35Å
455	A	29.2	Very low	33.9	Very low	11 Å²	11	92.7 Å²	92.7	9%	0.091	48%	0.475	C	S	.	.	H	α-helix	trans	-69.5	-30.4	173.8	0	0	0	0	0	112.6	F445 Q451 S452 D457 F458 Y459	F445-A455 HydrophobicContact CD1-CB 3.93Å; F445-A455 HydrophobicContact CE1-CB 4.23Å; F445-A455 HydrophobicContact CG-CB 4.34Å; Q451-A455 PolarHBondContact O-N 3.1Å; S452-A455 WeakPolarHBondContact O-CB 3.49Å; S452-A455 PolarHBondContact O-N 3.22Å; A455-D457 VanDerWaalsContact C-N 3.27Å; A455-D457 PolarHBondContact O-N 3.05Å; A455-F458 VanDerWaalsContact O-CB 3.3Å; A455-F458 WeakPolarHBondContact O-CB 3.34Å; A455-F458 PolarHBondContact O-N 3.14Å; A455-Y459 WeakPolarHBondContact O-CD2 3.37Å
456	L	28.9	Very low	34.5	Very low	126 Å²	126	90 Å²	90	66%	0.66	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-59.2	-33.1	176.2	-91.3	158.4	0	0	0	113.8	S452 A454 F458	S452-L456 PolarHBondContact O-N 3.1Å; S452-L456 VanDerWaalsContact O-N 3.13Å; A454-L456 VanDerWaalsContact C-N 3.35Å; L456-F458 VanDerWaalsContact C-N 3.3Å
457	D	31.3	Very low	34.8	Very low	107 Å²	107	89.4 Å²	89.4	57%	0.572	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-75.8	-17.4	175.3	-76.6	-33	0	0	0	113.2	A455	A455-D457 VanDerWaalsContact C-N 3.27Å; A455-D457 PolarHBondContact O-N 3.05Å
458	F	32.7	Very low	34.9	Very low	77 Å²	77	85.7 Å²	85.7	34%	0.338	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-79.9	-16.1	-176.6	-112.9	-94.2	0	0	0	114.3	L426 L431 A455 L456 L460	L426-F458 HydrophobicContact CD1-CE2 4.18Å; L426-F458 HydrophobicContact CD2-CD2 4.33Å; L426-F458 HydrophobicContact CD2-CE2 4.04Å; L431-F458 HydrophobicContact CD1-CD2 4.34Å; L431-F458 HydrophobicContact CD1-CE2 3.54Å; L431-F458 HydrophobicContact CD1-CZ 3.69Å; L431-F458 HydrophobicContact CD2-CE1 4.38Å; L431-F458 HydrophobicContact CD2-CZ 3.84Å; L431-F458 HydrophobicContact CG-CZ 4.37Å; A455-F458 VanDerWaalsContact O-CB 3.3Å; A455-F458 WeakPolarHBondContact O-CB 3.34Å; A455-F458 PolarHBondContact O-N 3.14Å; L456-F458 VanDerWaalsContact C-N 3.3Å; F458-L460 VanDerWaalsContact C-N 3.31Å; F458-L460 PolarHBondContact O-N 2.73Å
459	Y	32.4	Very low	34.6	Very low	143 Å²	143	86 Å²	86	56%	0.561	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-80.9	10.7	-170	-91.3	-83.5	0	0	0	116.1	H368 A455	H368-Y459 WeakPolarHBondContact CB-O 3.26Å; H368-Y459 PolarHBondContact CD2-O 3.19Å; H368-Y459 PolarHBondContact ND1-O 3.47Å; A455-Y459 WeakPolarHBondContact O-CD2 3.37Å
460	L	36.8	Very low	34.5	Very low	58 Å²	58	86.4 Å²	86.4	30%	0.304	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-89.4	-7.7	-162.5	-89.5	161.9	0	0	0	117.7	H368 F458	H368-L460 WeakPolarHBondContact CB-O 3.49Å; H368-L460 PolarHBondContact N-O 3.36Å; F458-L460 VanDerWaalsContact C-N 3.31Å; F458-L460 PolarHBondContact O-N 2.73Å
461	I	36.6	Very low	33.9	Very low	55 Å²	55	81.7 Å²	81.7	28%	0.282	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.7	-172.7	-58.5	163	0	0	0	110.7	L365 T366 A388	L365-I461 HydrophobicContact CD2-CG2 4.49Å; T366-I461 WeakPolarHBondContact O-CA 3.4Å; A388-I461 HydrophobicContact CB-CD1 3.45Å; A388-I461 VanDerWaalsContact CB-CD1 3.45Å
462	N	37.7	Very low	33.7	Very low	43 Å²	43	84.1 Å²	84.1	23%	0.23	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.5	171.7	-66.6	-63.6	0	0	0	110.7	T366 Y464	T366-N462 PolarHBondContact N-O 3.21Å; T366-N462 VanDerWaalsContact N-O 3.12Å; T366-N462 PolarHBondContact O-N 2.87Å; N462-Y464 HydrophobicContact CB-CD2 4.36Å; N462-Y464 HydrophobicContact CB-CE2 3.45Å; N462-Y464 VanDerWaalsContact CB-CE2 3.45Å
463	A	36.9	Very low	33.4	Very low	49 Å²	49	85.7 Å²	85.7	41%	0.405	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.2	174	0	0	0	0	0	109.6	V364 L365 M395	V364-A463 WeakPolarHBondContact O-CA 3.32Å; L365-A463 HydrophobicContact CD2-CB 4.28Å; M395-A463 HydrophobicContact SD-CB 4.11Å
464	Y	41.6	Very low	33	Very low	64 Å²	64	83.3 Å²	83.3	25%	0.251	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.4	-177.1	-64.1	-87.9	0	0	0	111.7	S337 I340 V364 N462	S337-Y464 WeakPolarHBondContact CB-OH 3.08Å; I340-Y464 HydrophobicContact CD1-CD2 3.61Å; I340-Y464 HydrophobicContact CD1-CE2 3.22Å; V364-Y464 PolarHBondContact N-O 3.36Å; V364-Y464 PolarHBondContact O-N 3.13Å; N462-Y464 HydrophobicContact CB-CD2 4.36Å; N462-Y464 HydrophobicContact CB-CE2 3.45Å; N462-Y464 VanDerWaalsContact CB-CE2 3.45Å
465	T	40.6	Very low	32.7	Very low	94 Å²	94	88.8 Å²	88.8	58%	0.577	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	118	164	50.6	0	0	0	0	108.9	F363 N467	F363-T465 HydrophobicContact CD1-CG2 4.38Å; F363-T465 HydrophobicContact CE1-CG2 3.6Å; F363-T465 HydrophobicContact CZ-CG2 3.89Å; T465-N467 VanDerWaalsContact C-N 3.31Å; T465-N467 PolarHBondContact O-N 2.92Å
466	C	43.5	Very low	32.5	Very low	16 Å²	16	94.2 Å²	94.2	11%	0.108	52%	0.516	C	S	.	.			trans	-84.5	65.1	-179.1	-69.5	0	0	0	0	112.6	I359 N360 V468	I359-C466 CarbonylContact C-O 3.57Å; I359-C466 HydrophobicContact CG2-CB 3.78Å; I359-C466 WeakPolarHBondContact CG2-O 3.15Å; I359-C466 WeakPolarHBondContact O-CB 3.31Å; I359-C466 VanDerWaalsContact O-O 3.09Å; N360-C466 WeakPolarHBondContact CA-O 3.3Å; N360-C466 PolarHBondContact OD1-O 2.77Å; C466-V468 PolarHBondContact O-N 3.19Å
467	N	36.3	Very low	32.4	Very low	119 Å²	119	93.8 Å²	93.8	64%	0.636	52%	0.519	S	S	*	.			trans	-70.3	122.2	164.5	-90.7	-1.3	0	0	0	109.5	T465	T465-N467 VanDerWaalsContact C-N 3.31Å; T465-N467 PolarHBondContact O-N 2.92Å
468	V	34.5	Very low	32.1	Very low	68 Å²	68	94.6 Å²	94.6	41%	0.412	53%	0.528	S	S	.	.			trans	-124.9	111.4	167.3	-170.1	0	0	0	0	107.9	I359 N360 C466 I470	I359-V468 HydrophobicContact CG2-CG2 3.79Å; N360-V468 PolarHBondContact OD1-N 3.24Å; N360-V468 VanDerWaalsContact OD1-N 3.08Å; C466-V468 PolarHBondContact O-N 3.19Å; V468-I470 VanDerWaalsContact C-N 3.31Å; V468-I470 HydrophobicContact CB-CD1 4.36Å; V468-I470 HydrophobicContact CB-CG1 4.08Å; V468-I470 HydrophobicContact CG1-CD1 3.99Å; V468-I470 HydrophobicContact CG1-CG1 3.55Å; V468-I470 PolarHBondContact O-N 3.49Å
469	D	31.7	Very low	31.7	Very low	114 Å²	114	98.5 Å²	98.5	61%	0.61	55%	0.553	S	S	*	*			trans	-71.6	86.7	174	-72.3	-45.3	0	0	0	110	S471 T489	D469-S471 VanDerWaalsContact C-N 3.29Å; D469-S471 PolarHBondContact O-N 3.15Å; D469-T489 HydrophobicContact CB-CG2 3.96Å
470	I	29.5	Very low	31.3	Very low	111 Å²	111	97.8 Å²	97.8	57%	0.569	56%	0.564	S	S	*	*			trans	-92.7	64.2	174.8	-48.3	-177.9	0	0	0	109	V468	V468-I470 VanDerWaalsContact C-N 3.31Å; V468-I470 HydrophobicContact CB-CD1 4.36Å; V468-I470 HydrophobicContact CB-CG1 4.08Å; V468-I470 HydrophobicContact CG1-CD1 3.99Å; V468-I470 HydrophobicContact CG1-CG1 3.55Å; V468-I470 PolarHBondContact O-N 3.49Å
471	S	25.7	Very low	30.9	Very low	89 Å²	89	101.5 Å²	101.5	62%	0.622	59%	0.589	S	S	*	*			trans	-125.6	75.6	174	62.3	0	0	0	0	110.7	D469	D469-S471 VanDerWaalsContact C-N 3.29Å; D469-S471 PolarHBondContact O-N 3.15Å
472	N	27.6	Very low	30.3	Very low	155 Å²	155	105.6 Å²	105.6	83%	0.829	61%	0.61	S	S	*	*			trans	-178.9	88.2	150.6	-89.2	-26.5	0	0	0	111.1
473	S	25.2	Very low	29.7	Very low	94 Å²	94	110.4 Å²	110.4	66%	0.657	64%	0.635	S	S	*	*				45.3	111.1	122.6	62.3	0	0	0	0	121.5
474	S	24.5	Very low	29.1	Very low	106 Å²	106	115 Å²	115	74%	0.741	65%	0.653	S	S	*	*			trans	47.1	111.1	134.7	64.2	0	0	0	0	120.9
475	M	24.1	Very low	28.3	Very low	166 Å²	166	119.8 Å²	119.8	82%	0.818	68%	0.681	S	S	*	*				175.4	139.1	100.3	-97.2	-155.5	162.5	0	0	114.4
476	N	24.4	Very low	27.6	Very low	124 Å²	124	120.4 Å²	120.4	66%	0.663	69%	0.685	S	S	*	*			trans	41	106.2	141.6	-60.7	-9.6	0	0	0	121.2
477	T	26	Very low	26.7	Very low	117 Å²	117	126.8 Å²	126.8	72%	0.718	72%	0.718	S	S	*	*				33.8	133.9	124	58.8	0	0	0	0	121.3
478	T	24.6	Very low	26.2	Very low	125 Å²	125	128.8 Å²	128.8	77%	0.767	73%	0.729	S	S	*	*			trans	91.9	120.8	161.6	73	0	0	0	0	117.9
479	N	24.4	Very low	25.7	Very low	158 Å²	158	129.9 Å²	129.9	85%	0.845	74%	0.736	S	S	*	*			trans	29.5	95.6	148.9	-60.2	-7.7	0	0	0	119.1
480	T	24	Very low	25.3	Very low	129 Å²	129	131 Å²	131	79%	0.791	75%	0.747	S	S	*	*			trans	-160.9	134	139.1	16.8	0	0	0	0	112.1
481	T	30	Very low	25.1	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	76%	0.756	S	S	*	*			trans	-76.4	124.9	162.4	45.8	0	0	0	0	109.9
482	I	23.9	Very low	25	Very low	141 Å²	141	133.5 Å²	133.5	72%	0.723	76%	0.761	S	S	*	*			trans	-171.7	108	169.6	-95	138.5	0	0	0	104
483	N	24.2	Very low	24.7	Very low	144 Å²	144	133.7 Å²	133.7	77%	0.77	76%	0.757	S	S	*	*				43.6	103.4	79.4	-71.2	-11.2	0	0	0	113
484	N	24.5	Very low	24.7	Very low	147 Å²	147	135 Å²	135	79%	0.786	76%	0.755	S	S	*	*			trans	113.3	91.8	173.7	-58.8	-12.7	0	0	0	114.6
485	I	25.9	Very low	24.6	Very low	163 Å²	163	138.4 Å²	138.4	84%	0.836	76%	0.757	S	S	*	*			trans	-143.2	78.6	147.4	-53.5	178.8	0	0	0	104.2
486	T	24.5	Very low	24.5	Very low	107 Å²	107	135.5 Å²	135.5	66%	0.656	75%	0.753	S	S	*	*				45.7	90.1	91.1	65.5	0	0	0	0	112.9	D488	T486-D488 PolarHBondContact O-N 3.37Å
487	D	26.2	Very low	24.4	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	75%	0.754	S	S	*	*	S	Bend		8.8	104.4	124.2	-45.5	-33.6	0	0	0	114.3
488	D	24	Very low	24.3	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	76%	0.759	S	S	*	*			trans	163.8	68.7	149.5	-87.1	-19	0	0	0	110.2	T486	T486-D488 PolarHBondContact O-N 3.37Å
489	T	24.8	Very low	24.2	Very low	91 Å²	91	138.4 Å²	138.4	56%	0.558	76%	0.763	S	S	*	*	S	Bend	trans	-148.1	115.4	155.2	13.2	0	0	0	0	107.7	D469 C491	D469-T489 HydrophobicContact CB-CG2 3.96Å; T489-C491 PolarHBondContact O-N 3.25Å
490	V	24.1	Very low	24.3	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	76%	0.763	S	S	*	*			trans	-58.3	96.5	-158.9	-177	0	0	0	0	113
491	C	24.5	Very low	24.4	Very low	115 Å²	115	140.7 Å²	140.7	78%	0.777	76%	0.759	S	S	*	*			trans	-102.5	107.1	162.7	-68.8	0	0	0	0	108	T489 E493	T489-C491 PolarHBondContact O-N 3.25Å; C491-E493 PolarHBondContact O-N 2.87Å
492	L	23.3	Very low	24.1	Very low	137 Å²	137	141.5 Å²	141.5	72%	0.717	76%	0.758	S	S	*	*			trans	-60.3	105.9	-178.8	-106.8	147.7	0	0	0	111.3
493	E	21.8	Very low	24.3	Very low	160 Å²	160	146.2 Å²	146.2	75%	0.748	77%	0.769	S	S	*	*			trans	-68.4	131.5	168.6	-64.1	-171.5	128.7	0	0	110.6	C491	C491-E493 PolarHBondContact O-N 2.87Å
494	I	24.5	Very low	24.2	Very low	121 Å²	121	145.6 Å²	145.6	62%	0.621	77%	0.765	S	S	*	*			trans	-128.7	95.1	156.9	-61.5	179.1	0	0	0	107.4
495	F	23.1	Very low	24.3	Very low	177 Å²	177	145.7 Å²	145.7	78%	0.776	77%	0.771	S	S	*	*			trans	-97.2	159.1	171.4	-108.6	-82.2	0	0	0	111.2
496	S	22.3	Very low	24.2	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	76%	0.763	S	S	*	*			trans	75.9	106.5	164.2	77.1	0	0	0	0	118.7
497	S	21.8	Very low	24.3	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	77%	0.769	S	S	*	*				166	77.1	104.7	50.9	0	0	0	0	114.3
498	M	23.7	Very low	24.3	Very low	164 Å²	164	144 Å²	144	81%	0.808	77%	0.772	S	S	*	*			trans	-156.3	125.7	149	-119.2	-177.4	-172.5	0	0	112.2
499	I	22.9	Very low	24.5	Very low	165 Å²	165	141.8 Å²	141.8	85%	0.846	76%	0.764	S	S	*	*			trans	-94.9	126.7	-178.9	-62.5	165.7	0	0	0	108.6
500	W	26.3	Very low	24.7	Very low	224 Å²	224	145.5 Å²	145.5	85%	0.848	78%	0.78	S	S	*	*			trans	-135.4	147.3	162	-84.2	78.5	0	0	0	110.1
501	P	25.5	Very low	24.9	Very low	111 Å²	111	142.3 Å²	142.3	72%	0.721	77%	0.774	S	S	*	*			trans	-89.5	140.4	-154.8	-9.1	28.5	0	0	0	115
502	D	24.9	Very low	25.2	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	78%	0.775	S	S	*	*			trans	3.9	122.1	161.7	-58.9	-34.4	0	0	0	119.6
503	Y	26.7	Very low	25.5	Very low	241 Å²	241	142.2 Å²	142.2	95%	0.945	78%	0.776	S	S	*	*				-143	131.3	129.5	-111	-79.1	0	0	0	112.2
504	N	23.7	Very low	26.1	Very low	130 Å²	130	146.4 Å²	146.4	70%	0.695	79%	0.785	S	S	*	*			trans	-87.2	129.7	-160.8	-176.9	-9.4	0	0	0	113.4	S506	N504-S506 PolarHBondContact OD1-N 2.94Å
505	V	26.6	Very low	26.3	Very low	150 Å²	150	149.6 Å²	149.6	91%	0.909	80%	0.797	S	S	*	*			trans	-133.4	58.3	167.5	-165.2	0	0	0	0	111.2
506	S	23.9	Very low	26.6	Very low	96 Å²	96	149.4 Å²	149.4	67%	0.671	80%	0.804	S	S	*	*			trans	-93.8	142.2	160.3	-72.3	0	0	0	0	111	N504	N504-S506 PolarHBondContact OD1-N 2.94Å
507	S	26	Very low	26.9	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	80%	0.803	S	S	*	*			trans	80.4	99.5	175	75	0	0	0	0	119.2
508	M	26	Very low	27.2	Very low	179 Å²	179	149.7 Å²	149.7	88%	0.882	81%	0.812	S	S	*	*				-165.4	112.8	109.3	-93.4	177.5	82.4	0	0	108.5
509	V	27.7	Very low	27.5	Very low	113 Å²	113	147.8 Å²	147.8	69%	0.685	81%	0.81	S	S	*	*				79.2	119.4	59.5	168.1	0	0	0	0	110
510	L	29.7	Very low	27.9	Very low	170 Å²	170	146.6 Å²	146.6	89%	0.89	80%	0.804	S	S	*	*			cis	-137.4	166.2	7.3	-70.2	117.1	0	0	0	109.4
511	G	28.7	Very low	28.2	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	80%	0.795	S	S	*	*			cis	-176.7	-163.4	4.7	0	0	0	0	0	106.5
512	S	31.1	Very low	28.4	Very low	112 Å²	112	144.7 Å²	144.7	78%	0.783	80%	0.795	S	S	*	*			cis	-172.5	154.8	-8.6	51.1	0	0	0	0	105.4
513	D	29.3	Very low	28.7	Very low	139 Å²	139	142.8 Å²	142.8	74%	0.743	79%	0.789	S	S	*	*			cis	-162.6	-164	13.3	-145.2	-82.6	0	0	0	111.2
514	W	33.9	Very low	28.9	Very low	247 Å²	247	136.8 Å²	136.8	94%	0.936	78%	0.778	S	S	*	*			trans	77.6	114.5	167	-68.6	20.2	0	0	0	119.1
515	Q	28.7	Very low	29.3	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	78%	0.78	S	S	*	*			trans	-129.4	144.9	172.1	-69.8	-177	-39.1	0	0	110.9
516	L	28.8	Very low	29.6	Very low	173 Å²	173	134.7 Å²	134.7	91%	0.906	77%	0.77	S	S	*	*			trans	-177.1	142.5	149.6	-91.7	132.6	0	0	0	105
517	S	28.4	Very low	30	Very low	105 Å²	105	136 Å²	136	73%	0.734	77%	0.774	S	S	*	*			cis	-166.4	152.3	1.8	30.2	0	0	0	0	109.4
518	A	29.3	Very low	30.5	Very low	105 Å²	105	139.8 Å²	139.8	87%	0.868	78%	0.78	S	S	*	*			trans	-132.6	144.3	161.1	0	0	0	0	0	110.1
519	T	29.9	Very low	31	Very low	124 Å²	124	136.3 Å²	136.3	76%	0.761	77%	0.772	S	S	*	*			trans	-97.9	146.5	-158.2	-43.2	0	0	0	0	112.1
520	L	30.3	Very low	31.6	Very low	140 Å²	140	138.4 Å²	138.4	73%	0.733	78%	0.778	S	S	*	*				166.4	109.5	121.4	-84.8	160	0	0	0	114.8
521	Q	32.5	Very low	32.2	Very low	141 Å²	141	135 Å²	135	66%	0.659	77%	0.766	S	S	*	*			trans	62.2	116.1	133.7	-73	177	-27.2	0	0	123.7
522	Q	31.2	Very low	33	Very low	153 Å²	153	139.3 Å²	139.3	72%	0.715	77%	0.773	S	S	*	*				74.3	143.9	117.5	-66.4	175.8	-22.9	0	0	119.5
523	T	30.3	Very low	34	Very low	111 Å²	111	139.7 Å²	139.7	68%	0.681	77%	0.766	S	S	*	*			cis	-163.1	142.2	-2	9.6	0	0	0	0	113
524	T	31.4	Very low	35.1	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	76%	0.756	S	S	*	*			trans	42.6	114	143.3	54.7	0	0	0	0	123.7
525	T	30.9	Very low	36.4	Very low	120 Å²	120	130.4 Å²	130.4	74%	0.736	75%	0.746	S	S	*	*				41.8	136.8	117.7	64	0	0	0	0	120.6
526	T	32.8	Very low	38.2	Very low	116 Å²	116	125.6 Å²	125.6	71%	0.712	73%	0.729	S	S	*	*				-170.4	150.8	71.7	37.8	0	0	0	0	114.3
527	T	32.6	Very low	40	Very low	124 Å²	124	123.2 Å²	123.2	76%	0.761	72%	0.715	S	S	*	*			trans	49.6	142.4	142.8	63.4	0	0	0	0	120.9
528	E	37.3	Very low	42	Very low	190 Å²	190	120.7 Å²	120.7	89%	0.888	70%	0.7	S	S	*	*			cis	-151.3	-166.7	35.4	-73.4	-172	140.7	0	0	114.2
529	C	37.1	Very low	44.3	Very low	106 Å²	106	121.3 Å²	121.3	72%	0.716	69%	0.688	S	S	*	*			trans	-102.6	155.3	-149.9	-64.1	0	0	0	0	119.5
530	I	39	Very low	46.7	Very low	157 Å²	157	119.8 Å²	119.8	81%	0.805	67%	0.674	S	S	*	*			trans	72.6	153.4	139.9	-69.6	163.2	0	0	0	117.6
531	P	42.5	Very low	49.1	Very low	99 Å²	99	120.1 Å²	120.1	64%	0.643	67%	0.67	S	S	*	*			cis	-129.2	161.6	4	21.9	2.7	0	0	0	119	N533	P531-N533 PolarHBondContact O-N 3.38Å
532	N	46	Very low	51.6	Low	160 Å²	160	118.5 Å²	118.5	86%	0.856	66%	0.664	S	S	*	*	S	Bend	trans	42.2	46.6	137.1	-62.9	-7.9	0	0	0	123.5
533	N	51.1	Low	54.1	Low	120 Å²	120	114.4 Å²	114.4	64%	0.642	65%	0.652	S	S	*	*			trans	-115.9	2.9	155.3	-85.8	-30.6	0	0	0	114.2	P531 I535 V536 M537	P531-N533 PolarHBondContact O-N 3.38Å; N533-I535 PolarHBondContact O-N 3.44Å; N533-V536 PolarHBondContact O-N 3.43Å; N533-M537 PolarHBondContact O-N 3.37Å; N533-M537 VanDerWaalsContact O-N 3.13Å
534	G	52.3	Low	56.8	Low	53 Å²	53	112.9 Å²	112.9	55%	0.546	64%	0.643	S	S	.	*	H	α-helix	trans	-59.3	-38.1	-168.2	0	0	0	0	0	115.8	A538	G534-A538 WeakPolarHBondContact O-CB 3.32Å; G534-A538 PolarHBondContact O-N 3.43Å
535	I	62.8	Low	59.5	Low	138 Å²	138	110.9 Å²	110.9	71%	0.708	63%	0.627	S	S	*	*	H	α-helix	trans	-70.7	-41.9	-177.4	-62.6	170.9	0	0	0	111.4	N533 A538 L539	N533-I535 PolarHBondContact O-N 3.44Å; I535-A538 PolarHBondContact O-N 3.44Å; I535-L539 HydrophobicContact CG2-CD1 4.22Å; I535-L539 WeakPolarHBondContact O-CG 3.3Å; I535-L539 PolarHBondContact O-N 2.89Å
536	V	66.6	Low	62.2	Low	88 Å²	88	109.2 Å²	109.2	53%	0.533	62%	0.617	S	S	.	*	H	α-helix	trans	-67.8	-43.8	178.1	-178.7	0	0	0	0	110.2	N533 A538 L539 I540	N533-V536 PolarHBondContact O-N 3.43Å; V536-A538 VanDerWaalsContact C-N 3.35Å; V536-A538 PolarHBondContact O-N 3.23Å; V536-L539 PolarHBondContact O-N 2.83Å; V536-I540 HydrophobicContact CG1-CD1 3.99Å; V536-I540 WeakPolarHBondContact O-CG1 3.3Å; V536-I540 PolarHBondContact O-N 3.5Å
537	M	66.5	Low	64.8	Low	123 Å²	123	106 Å²	106	61%	0.606	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-39	175	-67.9	-59.9	-70	0	0	112.2	N533 I540 F541	N533-M537 PolarHBondContact O-N 3.37Å; N533-M537 VanDerWaalsContact O-N 3.13Å; M537-I540 PolarHBondContact O-N 3.01Å; M537-F541 VanDerWaalsContact O-CB 3.29Å; M537-F541 WeakPolarHBondContact O-CB 3.23Å; M537-F541 PolarHBondContact O-N 3.4Å
538	A	69.6	Low	67.5	Low	52 Å²	52	103.4 Å²	103.4	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-65.4	-40.9	174.9	0	0	0	0	0	112.5	G534 I535 V536 F541 M542	G534-A538 WeakPolarHBondContact O-CB 3.32Å; G534-A538 PolarHBondContact O-N 3.43Å; I535-A538 PolarHBondContact O-N 3.44Å; V536-A538 VanDerWaalsContact C-N 3.35Å; V536-A538 PolarHBondContact O-N 3.23Å; A538-F541 PolarHBondContact O-N 3.46Å; A538-M542 WeakPolarHBondContact O-CB 3.41Å; A538-M542 VanDerWaalsContact O-CG 3.24Å; A538-M542 WeakPolarHBondContact O-CG 3.46Å; A538-M542 PolarHBondContact O-N 3.03Å
539	L	77.2	Confident	70	Confident	118 Å²	118	98.4 Å²	98.4	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-66.1	-39.4	176.2	-73.9	171.3	0	0	0	112.3	I535 V536 S543	I535-L539 HydrophobicContact CG2-CD1 4.22Å; I535-L539 WeakPolarHBondContact O-CG 3.3Å; I535-L539 PolarHBondContact O-N 2.89Å; V536-L539 PolarHBondContact O-N 2.83Å; L539-S543 WeakPolarHBondContact O-CB 3.27Å; L539-S543 PolarHBondContact O-N 3.49Å; L539-S543 PolarHBondContact O-OG 2.9Å
540	I	79.9	Confident	72.5	Confident	91 Å²	91	95.6 Å²	95.6	47%	0.467	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-43.3	172.9	-66.1	167.6	0	0	0	110.4	V536 M537 M542 S543 V544	V536-I540 HydrophobicContact CG1-CD1 3.99Å; V536-I540 WeakPolarHBondContact O-CG1 3.3Å; V536-I540 PolarHBondContact O-N 3.5Å; M537-I540 PolarHBondContact O-N 3.01Å; I540-M542 VanDerWaalsContact C-N 3.34Å; I540-M542 PolarHBondContact O-N 3.24Å; I540-S543 PolarHBondContact O-N 2.81Å; I540-S543 PolarHBondContact O-OG 3.47Å; I540-V544 HydrophobicContact CG2-CG2 4.45Å; I540-V544 WeakPolarHBondContact O-CB 3.49Å; I540-V544 VanDerWaalsContact O-CG2 3.31Å; I540-V544 WeakPolarHBondContact O-CG2 3.38Å; I540-V544 PolarHBondContact O-N 3.34Å
541	F	81.6	Confident	75	Confident	147 Å²	147	93.8 Å²	93.8	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-64.4	-39.2	178.2	-157.9	-91.6	0	0	0	111.8	M537 A538 L545	M537-F541 VanDerWaalsContact O-CB 3.29Å; M537-F541 WeakPolarHBondContact O-CB 3.23Å; M537-F541 PolarHBondContact O-N 3.4Å; A538-F541 PolarHBondContact O-N 3.46Å; F541-L545 WeakPolarHBondContact O-CB 3.26Å; F541-L545 PolarHBondContact O-N 2.84Å
542	M	85	Confident	77.2	Confident	107 Å²	107	92.2 Å²	92.2	53%	0.527	53%	0.532	S	S	.	.	H	α-helix	trans	-70.7	-34.3	175.9	-71.2	-63.4	-70.8	0	0	113.2	A538 I540 L545 T546	A538-M542 WeakPolarHBondContact O-CB 3.41Å; A538-M542 VanDerWaalsContact O-CG 3.24Å; A538-M542 WeakPolarHBondContact O-CG 3.46Å; A538-M542 PolarHBondContact O-N 3.03Å; I540-M542 VanDerWaalsContact C-N 3.34Å; I540-M542 PolarHBondContact O-N 3.24Å; M542-L545 HydrophobicContact SD-CD2 4.26Å; M542-T546 WeakPolarHBondContact O-CB 3.08Å; M542-T546 WeakPolarHBondContact O-CG2 3.21Å; M542-T546 PolarHBondContact O-N 2.89Å; M542-T546 PolarHBondContact O-OG1 2.69Å
543	S	83.5	Confident	79.3	Confident	67 Å²	67	89.3 Å²	89.3	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-71.3	-37.4	174.4	70.4	0	0	0	0	111.9	L539 I540 T546 A547	L539-S543 WeakPolarHBondContact O-CB 3.27Å; L539-S543 PolarHBondContact O-N 3.49Å; L539-S543 PolarHBondContact O-OG 2.9Å; I540-S543 PolarHBondContact O-N 2.81Å; I540-S543 PolarHBondContact O-OG 3.47Å; S543-T546 WeakPolarHBondContact CA-OG1 3.4Å; S543-T546 PolarHBondContact O-OG1 3.5Å; S543-T546 VanDerWaalsContact O-OG1 3.13Å; S543-A547 VanDerWaalsContact O-CB 3.24Å; S543-A547 WeakPolarHBondContact O-CB 3.43Å; S543-A547 PolarHBondContact O-N 3.03Å
544	V	87	Confident	81.2	Confident	80 Å²	80	88 Å²	88	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-68.5	-40.1	172.1	173.5	0	0	0	0	111.5	I540 A547 T548	I540-V544 HydrophobicContact CG2-CG2 4.45Å; I540-V544 WeakPolarHBondContact O-CB 3.49Å; I540-V544 VanDerWaalsContact O-CG2 3.31Å; I540-V544 WeakPolarHBondContact O-CG2 3.38Å; I540-V544 PolarHBondContact O-N 3.34Å; V544-A547 PolarHBondContact O-N 3.45Å; V544-T548 HydrophobicContact CG1-CG2 4.48Å; V544-T548 WeakPolarHBondContact O-CB 3.37Å; V544-T548 WeakPolarHBondContact O-CG2 3.3Å; V544-T548 PolarHBondContact O-N 3.39Å; V544-T548 PolarHBondContact O-OG1 3.28Å
545	L	87.7	Confident	82.8	Confident	73 Å²	73	88.1 Å²	88.1	38%	0.382	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-43.7	177.5	-175.3	63.6	0	0	0	111.7	F541 M542 T548 I549	F541-L545 WeakPolarHBondContact O-CB 3.26Å; F541-L545 PolarHBondContact O-N 2.84Å; M542-L545 HydrophobicContact SD-CD2 4.26Å; L545-T548 WeakPolarHBondContact CA-OG1 3.39Å; L545-T548 PolarHBondContact O-N 3.07Å; L545-T548 PolarHBondContact O-OG1 3.28Å; L545-I549 HydrophobicContact CD1-CD1 4.21Å; L545-I549 HydrophobicContact CG-CD1 3.99Å; L545-I549 WeakPolarHBondContact O-CB 3.45Å; L545-I549 VanDerWaalsContact O-CG1 3.25Å; L545-I549 WeakPolarHBondContact O-CG1 3.08Å; L545-I549 PolarHBondContact O-N 2.86Å
546	T	87.2	Confident	84.1	Confident	84 Å²	84	87.4 Å²	87.4	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-38.2	175.8	47.3	0	0	0	0	112.1	M542 S543 A550	M542-T546 WeakPolarHBondContact O-CB 3.08Å; M542-T546 WeakPolarHBondContact O-CG2 3.21Å; M542-T546 PolarHBondContact O-N 2.89Å; M542-T546 PolarHBondContact O-OG1 2.69Å; S543-T546 WeakPolarHBondContact CA-OG1 3.4Å; S543-T546 PolarHBondContact O-OG1 3.5Å; S543-T546 VanDerWaalsContact O-OG1 3.13Å; T546-A550 WeakPolarHBondContact O-CB 3.42Å; T546-A550 PolarHBondContact O-N 2.77Å
547	A	88.8	Confident	85.1	Confident	48 Å²	48	87.9 Å²	87.9	40%	0.397	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-41.3	173.7	0	0	0	0	0	113	S543 V544 A550 L551	S543-A547 VanDerWaalsContact O-CB 3.24Å; S543-A547 WeakPolarHBondContact O-CB 3.43Å; S543-A547 PolarHBondContact O-N 3.03Å; V544-A547 PolarHBondContact O-N 3.45Å; A547-A550 PolarHBondContact O-N 3.21Å; A547-L551 WeakPolarHBondContact O-CB 3.41Å; A547-L551 WeakPolarHBondContact O-CG 3.33Å; A547-L551 PolarHBondContact O-N 3.06Å
548	T	88.7	Confident	86	Confident	70 Å²	70	87.5 Å²	87.5	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-71	-35.9	177.4	48.5	0	0	0	0	112.6	V544 L545 S552	V544-T548 HydrophobicContact CG1-CG2 4.48Å; V544-T548 WeakPolarHBondContact O-CB 3.37Å; V544-T548 WeakPolarHBondContact O-CG2 3.3Å; V544-T548 PolarHBondContact O-N 3.39Å; V544-T548 PolarHBondContact O-OG1 3.28Å; L545-T548 WeakPolarHBondContact CA-OG1 3.39Å; L545-T548 PolarHBondContact O-N 3.07Å; L545-T548 PolarHBondContact O-OG1 3.28Å; T548-S552 WeakPolarHBondContact O-CB 3.28Å; T548-S552 PolarHBondContact O-N 2.93Å; T548-S552 PolarHBondContact O-OG 3.18Å
549	I	90.8	Very high	86.5	Confident	86 Å²	86	86.8 Å²	86.8	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-42.7	169.8	-68.1	166.5	0	0	0	111.1	L545 S552 L553	L545-I549 HydrophobicContact CD1-CD1 4.21Å; L545-I549 HydrophobicContact CG-CD1 3.99Å; L545-I549 WeakPolarHBondContact O-CB 3.45Å; L545-I549 VanDerWaalsContact O-CG1 3.25Å; L545-I549 WeakPolarHBondContact O-CG1 3.08Å; L545-I549 PolarHBondContact O-N 2.86Å; I549-S552 WeakPolarHBondContact CA-OG 3.48Å; I549-S552 PolarHBondContact O-N 3.48Å; I549-S552 PolarHBondContact O-OG 3.21Å; I549-L553 HydrophobicContact CG2-CD1 4.08Å; I549-L553 WeakPolarHBondContact O-CB 3.35Å; I549-L553 PolarHBondContact O-N 3.12Å
550	A	89.5	Confident	86.8	Confident	47 Å²	47	89 Å²	89	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-45.3	176.6	0	0	0	0	0	112.3	T546 A547 L553 I554	T546-A550 WeakPolarHBondContact O-CB 3.42Å; T546-A550 PolarHBondContact O-N 2.77Å; A547-A550 PolarHBondContact O-N 3.21Å; A550-L553 PolarHBondContact O-N 3.24Å; A550-I554 VanDerWaalsContact O-CG1 3.28Å; A550-I554 WeakPolarHBondContact O-CG1 3.41Å; A550-I554 PolarHBondContact O-N 2.9Å
551	L	91.2	Very high	86.8	Confident	118 Å²	118	88.1 Å²	88.1	62%	0.618	49%	0.49	S	S	*	.	H	α-helix	trans	-64.3	-40.8	177.1	-76.1	168.4	0	0	0	112.2	A547 I554 A555	A547-L551 WeakPolarHBondContact O-CB 3.41Å; A547-L551 WeakPolarHBondContact O-CG 3.33Å; A547-L551 PolarHBondContact O-N 3.06Å; L551-I554 PolarHBondContact O-N 3.31Å; L551-A555 VanDerWaalsContact O-CB 3.28Å; L551-A555 WeakPolarHBondContact O-CB 3.39Å; L551-A555 PolarHBondContact O-N 3.46Å
552	S	88.6	Confident	86.7	Confident	67 Å²	67	88.5 Å²	88.5	47%	0.469	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-35.6	176	55.2	0	0	0	0	112.7	T548 I549 A555 F556	T548-S552 WeakPolarHBondContact O-CB 3.28Å; T548-S552 PolarHBondContact O-N 2.93Å; T548-S552 PolarHBondContact O-OG 3.18Å; I549-S552 WeakPolarHBondContact CA-OG 3.48Å; I549-S552 PolarHBondContact O-N 3.48Å; I549-S552 PolarHBondContact O-OG 3.21Å; S552-A555 PolarHBondContact O-N 3.06Å; S552-F556 VanDerWaalsContact O-CB 3.23Å; S552-F556 WeakPolarHBondContact O-CB 3.25Å; S552-F556 PolarHBondContact O-N 3Å
553	L	90.3	Very high	86.3	Confident	99 Å²	99	92.3 Å²	92.3	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-43.5	170.3	-85.6	167.2	0	0	0	112.2	I549 A550 F556 L557	I549-L553 HydrophobicContact CG2-CD1 4.08Å; I549-L553 WeakPolarHBondContact O-CB 3.35Å; I549-L553 PolarHBondContact O-N 3.12Å; A550-L553 PolarHBondContact O-N 3.24Å; L553-F556 PolarHBondContact O-N 3.28Å; L553-L557 WeakPolarHBondContact O-CB 3.47Å; L553-L557 VanDerWaalsContact O-CG 3.3Å; L553-L557 WeakPolarHBondContact O-CG 3.13Å; L553-L557 PolarHBondContact O-N 3.25Å
554	I	89.7	Confident	85.8	Confident	93 Å²	93	94.2 Å²	94.2	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.2	-69.5	164.9	0	0	0	110.1	A550 L551 F556 L557 L558	A550-I554 VanDerWaalsContact O-CG1 3.28Å; A550-I554 WeakPolarHBondContact O-CG1 3.41Å; A550-I554 PolarHBondContact O-N 2.9Å; L551-I554 PolarHBondContact O-N 3.31Å; I554-F556 VanDerWaalsContact C-N 3.33Å; I554-F556 PolarHBondContact O-N 3.09Å; I554-L557 PolarHBondContact O-N 3.3Å; I554-L558 HydrophobicContact CG2-CD1 3.86Å; I554-L558 HydrophobicContact CG2-CG 4.32Å; I554-L558 WeakPolarHBondContact O-CB 3.37Å; I554-L558 VanDerWaalsContact O-CG 3.3Å; I554-L558 WeakPolarHBondContact O-CG 3.13Å; I554-L558 PolarHBondContact O-N 3.06Å
555	A	86.8	Confident	85.2	Confident	55 Å²	55	99.4 Å²	99.4	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-60.7	-40.4	175.6	0	0	0	0	0	112	L551 S552 A559	L551-A555 VanDerWaalsContact O-CB 3.28Å; L551-A555 WeakPolarHBondContact O-CB 3.39Å; L551-A555 PolarHBondContact O-N 3.46Å; S552-A555 PolarHBondContact O-N 3.06Å; A555-A559 WeakPolarHBondContact O-CB 3.12Å; A555-A559 PolarHBondContact O-N 3.06Å
556	F	89.7	Confident	84.6	Confident	122 Å²	122	100.6 Å²	100.6	54%	0.535	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-42.9	174.6	176.3	-97	0	0	0	112.2	S552 L553 I554 A559 R560	S552-F556 VanDerWaalsContact O-CB 3.23Å; S552-F556 WeakPolarHBondContact O-CB 3.25Å; S552-F556 PolarHBondContact O-N 3Å; L553-F556 PolarHBondContact O-N 3.28Å; I554-F556 VanDerWaalsContact C-N 3.33Å; I554-F556 PolarHBondContact O-N 3.09Å; F556-A559 PolarHBondContact O-N 3.37Å; F556-R560 WeakPolarHBondContact O-CB 3.31Å; F556-R560 PolarHBondContact O-N 3.12Å
557	L	87.6	Confident	83.8	Confident	98 Å²	98	99.7 Å²	99.7	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-41	176.9	-72.1	173.8	0	0	0	111.9	L553 I554 R560 C561	L553-L557 WeakPolarHBondContact O-CB 3.47Å; L553-L557 VanDerWaalsContact O-CG 3.3Å; L553-L557 WeakPolarHBondContact O-CG 3.13Å; L553-L557 PolarHBondContact O-N 3.25Å; I554-L557 PolarHBondContact O-N 3.3Å; L557-R560 PolarHBondContact O-N 3.44Å; L557-C561 WeakPolarHBondContact O-CB 3.32Å; L557-C561 PolarHBondContact O-N 3.05Å; L557-C561 PolarHBondContact O-SG 3.45Å
558	L	85.2	Confident	83.2	Confident	115 Å²	115	98 Å²	98	60%	0.602	48%	0.481	S	S	*	.	H	α-helix	trans	-64.2	-45.4	172.9	-71.4	174.1	0	0	0	111.1	I554 R560 C561 Y562	I554-L558 HydrophobicContact CG2-CD1 3.86Å; I554-L558 HydrophobicContact CG2-CG 4.32Å; I554-L558 WeakPolarHBondContact O-CB 3.37Å; I554-L558 VanDerWaalsContact O-CG 3.3Å; I554-L558 WeakPolarHBondContact O-CG 3.13Å; I554-L558 PolarHBondContact O-N 3.06Å; L558-R560 PolarHBondContact O-N 3.06Å; L558-C561 PolarHBondContact O-N 3.19Å; L558-Y562 VanDerWaalsContact O-CB 3.27Å; L558-Y562 WeakPolarHBondContact O-CB 3.43Å; L558-Y562 PolarHBondContact O-N 3.01Å
559	A	80.7	Confident	82.5	Confident	38 Å²	38	101.6 Å²	101.6	31%	0.314	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-38.5	175.2	0	0	0	0	0	112	A555 F556 Y562 R563	A555-A559 WeakPolarHBondContact O-CB 3.12Å; A555-A559 PolarHBondContact O-N 3.06Å; F556-A559 PolarHBondContact O-N 3.37Å; A559-Y562 PolarHBondContact O-N 3.3Å; A559-R563 WeakPolarHBondContact O-CB 3.46Å; A559-R563 VanDerWaalsContact O-CG 3.26Å; A559-R563 WeakPolarHBondContact O-CG 3.4Å; A559-R563 PolarHBondContact O-N 2.76Å
560	R	83.7	Confident	81.4	Confident	164 Å²	164	102.7 Å²	102.7	62%	0.619	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-43.3	174.2	-177.1	178.9	174.7	107.5	-2.5	111.2	F556 L557 L558 R564	F556-R560 WeakPolarHBondContact O-CB 3.31Å; F556-R560 PolarHBondContact O-N 3.12Å; L557-R560 PolarHBondContact O-N 3.44Å; L558-R560 PolarHBondContact O-N 3.06Å; R560-R564 VanDerWaalsContact O-CB 3.24Å; R560-R564 WeakPolarHBondContact O-CB 3.32Å; R560-R564 PolarHBondContact O-N 3.32Å
561	C	80	Confident	80.3	Confident	72 Å²	72	102.8 Å²	102.8	49%	0.486	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-40.4	174.6	-70.4	0	0	0	0	112	L557 L558 R565	L557-C561 WeakPolarHBondContact O-CB 3.32Å; L557-C561 PolarHBondContact O-N 3.05Å; L557-C561 PolarHBondContact O-SG 3.45Å; L558-C561 PolarHBondContact O-N 3.19Å; C561-R565 WeakPolarHBondContact O-CB 3.39Å; C561-R565 WeakPolarHBondContact O-CG 3.46Å; C561-R565 PolarHBondContact O-N 2.7Å
562	Y	78.7	Confident	79	Confident	155 Å²	155	101.6 Å²	101.6	61%	0.608	50%	0.495	S	S	*	.	H	α-helix	trans	-65.9	-51.5	176.3	-177.8	-107.4	0	0	0	111.7	L558 A559 R564 R565 K566	L558-Y562 VanDerWaalsContact O-CB 3.27Å; L558-Y562 WeakPolarHBondContact O-CB 3.43Å; L558-Y562 PolarHBondContact O-N 3.01Å; A559-Y562 PolarHBondContact O-N 3.3Å; Y562-R564 VanDerWaalsContact C-N 3.31Å; Y562-R564 PolarHBondContact O-N 3.29Å; Y562-R565 PolarHBondContact O-N 3.14Å; Y562-K566 HydrophobicContact CE1-CD 4.46Å; Y562-K566 WeakPolarHBondContact O-CB 3.4Å; Y562-K566 PolarHBondContact O-N 3.13Å
563	R	76.4	Confident	78	Confident	188 Å²	188	103.1 Å²	103.1	71%	0.709	50%	0.497	S	S	*	.	H	α-helix	trans	-55.4	-44.8	174	-73.4	-178.9	-159.9	-174.5	6.8	111.5	A559 K566 M567	A559-R563 WeakPolarHBondContact O-CB 3.46Å; A559-R563 VanDerWaalsContact O-CG 3.26Å; A559-R563 WeakPolarHBondContact O-CG 3.4Å; A559-R563 PolarHBondContact O-N 2.76Å; R563-K566 PolarHBondContact O-N 2.89Å; R563-M567 VanDerWaalsContact O-CB 3.3Å; R563-M567 WeakPolarHBondContact O-CB 3.27Å; R563-M567 PolarHBondContact O-N 3.23Å
564	R	74.5	Confident	77.7	Confident	107 Å²	107	100 Å²	100	40%	0.404	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-44	177.9	-171.5	-179.9	-177.5	-175.4	4.7	111.9	R560 Y562 Y568 D672	R560-R564 VanDerWaalsContact O-CB 3.24Å; R560-R564 WeakPolarHBondContact O-CB 3.32Å; R560-R564 PolarHBondContact O-N 3.32Å; Y562-R564 VanDerWaalsContact C-N 3.31Å; Y562-R564 PolarHBondContact O-N 3.29Å; R564-Y568 HydrophobicContact CG-CD2 4.4Å; R564-Y568 HydrophobicContact CG-CE2 3.6Å; R564-Y568 PolarHBondContact NE-OH 2.77Å; R564-Y568 VanDerWaalsContact NE-OH 3.15Å; R564-Y568 WeakPolarHBondContact O-CD2 3.44Å; R564-Y568 PolarHBondContact O-N 2.64Å; R564-D672 IonicContact CZ-OD1 3.12Å; R564-D672 IonicContact CZ-OD2 2.73Å; R564-D672 IonicContact NH2-OD1 3.56Å; R564-D672 PolarHBondContact NH2-OD1 3.48Å; R564-D672 IonicContact NH2-OD2 3.57Å; R564-D672 PolarHBondContact NH2-OD2 2.89Å
565	R	73.4	Confident	77.5	Confident	188 Å²	188	95.8 Å²	95.8	71%	0.709	46%	0.458	S	S	*	.	H	α-helix	trans	-65.1	-42.5	174.9	-75.5	177.8	179.5	177.9	0.9	112.4	C561 Y562 Y568 R569	C561-R565 WeakPolarHBondContact O-CB 3.39Å; C561-R565 WeakPolarHBondContact O-CG 3.46Å; C561-R565 PolarHBondContact O-N 2.7Å; Y562-R565 PolarHBondContact O-N 3.14Å; R565-Y568 PolarHBondContact O-N 3.25Å; R565-R569 PolarHBondContact O-N 3.29Å
566	K	75	Confident	77.5	Confident	98 Å²	98	93.6 Å²	93.6	43%	0.426	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-46.6	177.6	-165.9	175.9	-173	-177.8	0	111	Y562 R563 Y568 R569 E570	Y562-K566 HydrophobicContact CE1-CD 4.46Å; Y562-K566 WeakPolarHBondContact O-CB 3.4Å; Y562-K566 PolarHBondContact O-N 3.13Å; R563-K566 PolarHBondContact O-N 2.89Å; K566-Y568 VanDerWaalsContact C-N 3.28Å; K566-Y568 PolarHBondContact O-N 3.27Å; K566-R569 PolarHBondContact O-N 2.91Å; K566-E570 WeakPolarHBondContact CE-OE2 3.25Å; K566-E570 HydrophobicContact CG-CB 4.4Å; K566-E570 IonicContact NZ-OE2 2.64Å; K566-E570 PolarHBondContact O-N 3.22Å
567	M	71.2	Confident	77.4	Confident	66 Å²	66	87.9 Å²	87.9	33%	0.325	41%	0.413	S	S	.	.	H	α-helix	trans	-57.9	-33.7	178.5	-170.8	-167	78.4	0	0	113.9	R563 N573	R563-M567 VanDerWaalsContact O-CB 3.3Å; R563-M567 WeakPolarHBondContact O-CB 3.27Å; R563-M567 PolarHBondContact O-N 3.23Å; M567-N573 HydrophobicContact CG-CB 4.38Å; M567-N573 CarbonylContact O-C 3.58Å
568	Y	75.6	Confident	77.3	Confident	13 Å²	13	86.3 Å²	86.3	5%	0.051	40%	0.401	C	S	.	.	H	α-helix	trans	-77.4	-21.6	176.6	-62.9	-51.7	0	0	0	113.7	R564 R565 K566 L575 I576 L671 D672	R564-Y568 HydrophobicContact CG-CD2 4.4Å; R564-Y568 HydrophobicContact CG-CE2 3.6Å; R564-Y568 PolarHBondContact NE-OH 2.77Å; R564-Y568 VanDerWaalsContact NE-OH 3.15Å; R564-Y568 WeakPolarHBondContact O-CD2 3.44Å; R564-Y568 PolarHBondContact O-N 2.64Å; R565-Y568 PolarHBondContact O-N 3.25Å; K566-Y568 VanDerWaalsContact C-N 3.28Å; K566-Y568 PolarHBondContact O-N 3.27Å; Y568-L575 HydrophobicContact CD1-CB 4.06Å; Y568-L575 HydrophobicContact CD1-CD2 3.73Å; Y568-L575 HydrophobicContact CE1-CD2 3.92Å; Y568-L575 PolarHBondContact O-N 2.82Å; Y568-I576 PolarHBondContact O-N 3.39Å; Y568-I576 VanDerWaalsContact O-N 3.13Å; Y568-L671 HydrophobicContact CD2-CD1 4.05Å; Y568-L671 HydrophobicContact CE2-CD1 4.3Å; Y568-L671 HydrophobicContact CG-CD1 4.49Å; Y568-D672 PolarHBondContact OH-OD1 2.84Å
569	R	73.8	Confident	77	Confident	145 Å²	145	83.6 Å²	83.6	55%	0.547	39%	0.39	S	S	.	.	H	α-helix	trans	-104.1	-26.8	-174.2	-71.4	-176.3	171	-170.1	-4.6	114.3	R565 K566 K574	R565-R569 PolarHBondContact O-N 3.29Å; K566-R569 PolarHBondContact O-N 2.91Å; R569-K574 WeakPolarHBondContact O-CD 3.47Å; R569-K574 WeakPolarHBondContact O-CE 3.31Å; R569-K574 WeakPolarHBondContact O-CG 3.4Å
570	E	67.7	Low	77	Confident	108 Å²	108	89.5 Å²	89.5	51%	0.505	42%	0.417	S	S	.	.	S	Bend	trans	-136.1	152.6	-169.9	-68.7	170.2	-146	0	0	112.1	K566	K566-E570 WeakPolarHBondContact CE-OE2 3.25Å; K566-E570 HydrophobicContact CG-CB 4.4Å; K566-E570 IonicContact NZ-OE2 2.64Å; K566-E570 PolarHBondContact O-N 3.22Å
571	G	65.8	Low	77	Confident	49 Å²	49	83.7 Å²	83.7	51%	0.505	40%	0.398	S	S	.	.	S	Bend	trans	85.2	-176	176.6	0	0	0	0	0	114.6	N573 K574	G571-N573 PolarHBondContact O-N 3.31Å; G571-N573 VanDerWaalsContact O-N 3.16Å; G571-K574 VanDerWaalsContact O-CB 3.29Å; G571-K574 WeakPolarHBondContact O-CB 3.45Å; G571-K574 PolarHBondContact O-N 3.46Å; G571-K574 VanDerWaalsContact O-N 3.11Å
572	P	65.5	Low	77.2	Confident	94 Å²	94	80.8 Å²	80.8	61%	0.61	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	-176.3	27.1	-35.1	0	0	0	113.7	R678	P572-R678 PolarHBondContact O-NH2 3.33Å
573	N	67.6	Low	77.4	Confident	98 Å²	98	78.1 Å²	78.1	52%	0.524	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	12.4	178.6	-68.1	-22.7	0	0	0	113.7	M567 G571 L575	M567-N573 HydrophobicContact CG-CB 4.38Å; M567-N573 CarbonylContact O-C 3.58Å; G571-N573 PolarHBondContact O-N 3.31Å; G571-N573 VanDerWaalsContact O-N 3.16Å; N573-L575 PolarHBondContact O-N 3.17Å
574	K	82.2	Confident	77.6	Confident	35 Å²	35	71.1 Å²	71.1	15%	0.152	35%	0.353	C	S	.	.			trans	-48.6	121.9	171.9	-178.7	170.8	-174.2	175	0	110	R569 G571 I576 L577 D581 R678	R569-K574 WeakPolarHBondContact O-CD 3.47Å; R569-K574 WeakPolarHBondContact O-CE 3.31Å; R569-K574 WeakPolarHBondContact O-CG 3.4Å; G571-K574 VanDerWaalsContact O-CB 3.29Å; G571-K574 WeakPolarHBondContact O-CB 3.45Å; G571-K574 PolarHBondContact O-N 3.46Å; G571-K574 VanDerWaalsContact O-N 3.11Å; K574-I576 WeakPolarHBondContact CE-O 3.36Å; K574-I576 VanDerWaalsContact CG-O 3.3Å; K574-I576 WeakPolarHBondContact CG-O 3.32Å; K574-L577 HydrophobicContact CG-CD2 4.49Å; K574-D581 WeakPolarHBondContact CE-OD1 3.4Å; K574-D581 WeakPolarHBondContact CE-OD2 3.47Å; K574-D581 IonicContact NZ-OD1 3.59Å; K574-D581 PolarHBondContact NZ-OD1 2.96Å; K574-D581 IonicContact NZ-OD2 3.71Å; K574-D581 PolarHBondContact NZ-OD2 3.05Å; K574-R678 PolarHBondContact O-NH1 3.37Å
575	L	86.2	Confident	77.4	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.021	35%	0.35	C	S	.	.			trans	-108.5	-25.3	-174	-168	66.7	0	0	0	111.8	Y568 N573 L671 V674 R675 R678 G690 C691	Y568-L575 HydrophobicContact CD1-CB 4.06Å; Y568-L575 HydrophobicContact CD1-CD2 3.73Å; Y568-L575 HydrophobicContact CE1-CD2 3.92Å; Y568-L575 PolarHBondContact O-N 2.82Å; N573-L575 PolarHBondContact O-N 3.17Å; L575-L671 HydrophobicContact CD2-CD2 4.21Å; L575-V674 HydrophobicContact CD1-CG1 3.99Å; L575-V674 HydrophobicContact CD2-CG1 4.21Å; L575-V674 HydrophobicContact CG-CG1 4.03Å; L575-R675 HydrophobicContact CD2-CB 4.01Å; L575-R678 HydrophobicContact CD1-CB 4.36Å; L575-G690 WeakPolarHBondContact O-CA 3.23Å; L575-C691 PolarHBondContact O-N 3.33Å
576	I	88	Confident	76.4	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.4	175.8	-54	171.6	0	0	0	107.7	Y568 K574 Y578 L666 L671 C691 V693	Y568-I576 PolarHBondContact O-N 3.39Å; Y568-I576 VanDerWaalsContact O-N 3.13Å; K574-I576 WeakPolarHBondContact CE-O 3.36Å; K574-I576 VanDerWaalsContact CG-O 3.3Å; K574-I576 WeakPolarHBondContact CG-O 3.32Å; I576-Y578 HydrophobicContact CB-CE2 4.33Å; I576-Y578 HydrophobicContact CG2-CE1 3.99Å; I576-Y578 HydrophobicContact CG2-CE2 3.88Å; I576-L666 HydrophobicContact CD1-CD2 3.72Å; I576-L666 HydrophobicContact CG1-CD2 4.49Å; I576-L671 HydrophobicContact CD1-CD1 4.27Å; I576-L671 HydrophobicContact CD1-CD2 4.08Å; I576-L671 HydrophobicContact CG1-CD2 3.89Å; I576-C691 CarbonylContact C-O 3.46Å; I576-C691 WeakPolarHBondContact CA-O 3.31Å; I576-V693 HydrophobicContact CG2-CB 4.18Å; I576-V693 HydrophobicContact CG2-CG2 3.7Å
577	L	87.3	Confident	75	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	142	171.5	-57.8	-179.4	0	0	0	109.7	K574 D581 V582 Y649 I689 C691 Y692 V693 V701	K574-L577 HydrophobicContact CG-CD2 4.49Å; L577-D581 HydrophobicContact CB-CB 4.4Å; L577-D581 HydrophobicContact CD2-CB 4.19Å; L577-V582 HydrophobicContact CB-CG2 4.44Å; L577-V582 HydrophobicContact CD1-CG2 4.42Å; L577-Y649 HydrophobicContact CD1-CD1 4.5Å; L577-Y649 HydrophobicContact CD1-CD2 4.36Å; L577-Y649 HydrophobicContact CD1-CE2 4.41Å; L577-Y649 HydrophobicContact CD1-CG 4.42Å; L577-Y649 HydrophobicContact CD2-CD2 4.23Å; L577-Y649 HydrophobicContact CD2-CE1 4.34Å; L577-Y649 HydrophobicContact CD2-CE2 3.55Å; L577-I689 HydrophobicContact CD1-CG2 4.4Å; L577-C691 PolarHBondContact N-O 3.31Å; L577-Y692 HydrophobicContact CB-CD2 4.05Å; L577-Y692 WeakPolarHBondContact O-CA 3.13Å; L577-V693 PolarHBondContact O-N 3.13Å; L577-V701 HydrophobicContact CD1-CB 4.37Å; L577-V701 HydrophobicContact CD1-CG1 4.2Å; L577-V701 HydrophobicContact CD1-CG2 4.17Å
578	Y	83.9	Confident	73.1	Confident	66 Å²	66	74 Å²	74	26%	0.259	38%	0.382	S	S	.	.			trans	-115	168.6	177.9	-63.5	-77.9	0	0	0	109.6	I576 D580 D581 Y692	I576-Y578 HydrophobicContact CB-CE2 4.33Å; I576-Y578 HydrophobicContact CG2-CE1 3.99Å; I576-Y578 HydrophobicContact CG2-CE2 3.88Å; Y578-D580 PolarHBondContact O-N 3.15Å; Y578-D581 PolarHBondContact N-OD2 2.83Å; Y578-D581 WeakPolarHBondContact O-CB 3.39Å; Y578-D581 PolarHBondContact O-N 3.21Å; Y578-Y692 WeakPolarHBondContact O-CE2 3.31Å
579	P	80.2	Confident	71.1	Confident	57 Å²	57	80.3 Å²	80.3	37%	0.37	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-49.6	-41.1	177.5	-29.7	35.9	0	0	0	114.1	D581 V582	P579-D581 PolarHBondContact O-N 3.36Å; P579-V582 PolarHBondContact O-N 3.3Å; P579-V582 VanDerWaalsContact O-N 3.14Å
580	D	81	Confident	69	Low	162 Å²	162	79.9 Å²	79.9	87%	0.866	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.6	-179.3	-50.7	-35.2	0	0	0	114.3	Y578	Y578-D580 PolarHBondContact O-N 3.15Å
581	D	83.2	Confident	67.2	Low	43 Å²	43	80.2 Å²	80.2	23%	0.23	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-80.6	-17	177.6	-65.8	-69.4	0	0	0	112.8	K574 L577 Y578 P579 Y649	K574-D581 WeakPolarHBondContact CE-OD1 3.4Å; K574-D581 WeakPolarHBondContact CE-OD2 3.47Å; K574-D581 IonicContact NZ-OD1 3.59Å; K574-D581 PolarHBondContact NZ-OD1 2.96Å; K574-D581 IonicContact NZ-OD2 3.71Å; K574-D581 PolarHBondContact NZ-OD2 3.05Å; L577-D581 HydrophobicContact CB-CB 4.4Å; L577-D581 HydrophobicContact CD2-CB 4.19Å; Y578-D581 PolarHBondContact N-OD2 2.83Å; Y578-D581 WeakPolarHBondContact O-CB 3.39Å; Y578-D581 PolarHBondContact O-N 3.21Å; P579-D581 PolarHBondContact O-N 3.36Å; D581-Y649 HydrophobicContact CB-CD2 4.29Å; D581-Y649 HydrophobicContact CB-CE2 4.16Å; D581-Y649 WeakPolarHBondContact O-CD2 3.45Å
582	V	83.9	Confident	65.3	Low	11 Å²	11	87.8 Å²	87.8	7%	0.067	45%	0.452	C	S	.	.			trans	-131.5	126.3	-157.3	174.4	0	0	0	0	112	L577 P579 F584 A647 I654 I656 Y692	L577-V582 HydrophobicContact CB-CG2 4.44Å; L577-V582 HydrophobicContact CD1-CG2 4.42Å; P579-V582 PolarHBondContact O-N 3.3Å; P579-V582 VanDerWaalsContact O-N 3.14Å; V582-F584 HydrophobicContact CG1-CD2 4.2Å; V582-F584 HydrophobicContact CG1-CE2 3.89Å; V582-F584 HydrophobicContact CG1-CZ 4.13Å; V582-A647 HydrophobicContact CG1-CB 3.31Å; V582-I654 HydrophobicContact CG1-CD1 4.24Å; V582-I654 HydrophobicContact CG2-CD1 4.19Å; V582-I656 HydrophobicContact CG1-CD1 3.69Å; V582-Y692 HydrophobicContact CB-CE2 4.17Å; V582-Y692 HydrophobicContact CG2-CD2 3.98Å; V582-Y692 HydrophobicContact CG2-CE2 4.04Å
583	V	83.4	Confident	63.6	Low	99 Å²	99	91.1 Å²	91.1	60%	0.6	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.5	175.2	-175.3	0	0	0	0	110.4	A647 R648	V583-A647 CarbonylContact O-C 3.59Å; V583-A647 VanDerWaalsContact O-CA 3.3Å; V583-A647 WeakPolarHBondContact O-CA 3.3Å; V583-A647 WeakPolarHBondContact O-CB 3.2Å; V583-R648 PolarHBondContact N-O 3.33Å; V583-R648 PolarHBondContact O-N 3.07Å
584	F	81.4	Confident	62	Low	41 Å²	41	92.5 Å²	92.5	18%	0.18	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.2	175.1	-69.6	-88.9	0	0	0	111.8	V582 I641 A647 I656 Y692	V582-F584 HydrophobicContact CG1-CD2 4.2Å; V582-F584 HydrophobicContact CG1-CE2 3.89Å; V582-F584 HydrophobicContact CG1-CZ 4.13Å; F584-I641 HydrophobicContact CE1-CB 4.43Å; F584-I641 HydrophobicContact CE1-CG1 3.64Å; F584-I641 HydrophobicContact CE2-CG1 4.28Å; F584-I641 HydrophobicContact CZ-CD1 4.32Å; F584-I641 HydrophobicContact CZ-CG1 3.43Å; F584-I641 VanDerWaalsContact CZ-CG1 3.43Å; F584-A647 HydrophobicContact CD1-CB 3.98Å; F584-A647 HydrophobicContact CE1-CB 4.31Å; F584-A647 HydrophobicContact CG-CB 4.24Å; F584-I656 HydrophobicContact CE1-CD1 3.82Å; F584-I656 HydrophobicContact CZ-CD1 3.79Å; F584-Y692 HydrophobicContact CZ-CE1 4.43Å
585	M	69	Low	59.2	Low	70 Å²	70	97.2 Å²	97.2	35%	0.345	50%	0.503	S	S	.	.			trans	-92.8	112	179.5	-59.5	-145.9	-53.1	0	0	111	T587 T644 V646 L653	M585-T587 PolarHBondContact O-N 3.18Å; M585-T644 WeakPolarHBondContact O-CG2 3.47Å; M585-T644 PolarHBondContact O-OG1 2.94Å; M585-T644 VanDerWaalsContact O-OG1 3.08Å; M585-V646 HydrophobicContact CE-CG1 4.29Å; M585-V646 PolarHBondContact N-O 3.32Å; M585-L653 HydrophobicContact CE-CD2 3.85Å; M585-L653 HydrophobicContact SD-CD2 3.79Å
586	K	53.2	Low	56.4	Low	184 Å²	184	102.5 Å²	102.5	80%	0.8	54%	0.538	S	S	*	.			trans	-65.2	121.3	175.3	-69.2	-176.2	177.9	179.5	0	110.9	H588	K586-H588 PolarHBondContact O-N 3.49Å
587	T	44.3	Very low	53.6	Low	81 Å²	81	106.5 Å²	106.5	50%	0.497	57%	0.567	S	S	.	*			trans	-65	122.6	165.9	43.3	0	0	0	0	110.2	M585 K589 T644	M585-T587 PolarHBondContact O-N 3.18Å; T587-K589 PolarHBondContact O-N 3.48Å; T587-T644 HydrophobicContact CG2-CG2 3.62Å
588	H	32.7	Very low	50.9	Low	183 Å²	183	113.7 Å²	113.7	85%	0.847	61%	0.605	S	S	*	*			trans	-62.9	97.3	164.3	-82.7	-89.9	0	0	0	109.5	K586 T590	K586-H588 PolarHBondContact O-N 3.49Å; H588-T590 PolarHBondContact O-N 2.87Å
589	K	33.5	Very low	48.6	Very low	146 Å²	146	116 Å²	116	64%	0.635	63%	0.626	S	S	*	*			trans	-58.7	120.5	163	-74.7	168.3	-177.6	150	0	106.8	T587 V591 D643	T587-K589 PolarHBondContact O-N 3.48Å; K589-V591 PolarHBondContact O-N 2.81Å; K589-D643 IonicContact NZ-OD1 2.73Å; K589-D643 PolarHBondContact NZ-OD1 3.17Å; K589-D643 IonicContact NZ-OD2 3.6Å
590	T	28.6	Very low	46.2	Very low	136 Å²	136	119.7 Å²	119.7	83%	0.834	64%	0.642	S	S	*	*			trans	-65	98.4	-175.6	33.2	0	0	0	0	110.6	H588 K592	H588-T590 PolarHBondContact O-N 2.87Å; T590-K592 PolarHBondContact O-N 2.97Å; T590-K592 VanDerWaalsContact O-N 3.1Å
591	V	29.9	Very low	43.8	Very low	116 Å²	116	119.5 Å²	119.5	70%	0.703	64%	0.641	S	S	*	*			trans	-68.9	108.2	175	179	0	0	0	0	108.6	K589 H593	K589-V591 PolarHBondContact O-N 2.81Å; V591-H593 WeakPolarHBondContact CG1-CD2 3.46Å; V591-H593 PolarHBondContact O-N 2.84Å
592	K	25.8	Very low	41.2	Very low	208 Å²	208	128.6 Å²	128.6	90%	0.904	67%	0.672	S	S	*	*			trans	-68.4	98.1	166.8	-73.3	179.6	174.8	178.9	0	109	T590	T590-K592 PolarHBondContact O-N 2.97Å; T590-K592 VanDerWaalsContact O-N 3.1Å
593	H	31.4	Very low	38.7	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.755	71%	0.706	S	S	*	*			trans	-119.9	121.1	160.7	-90.6	-56.7	0	0	0	112.6	V591	V591-H593 WeakPolarHBondContact CG1-CD2 3.46Å; V591-H593 PolarHBondContact O-N 2.84Å
594	T	32.2	Very low	36.2	Very low	128 Å²	128	135.5 Å²	135.5	79%	0.785	70%	0.701	S	S	*	*			trans	-36.6	136.6	167.1	45	0	0	0	0	115.4
595	T	23.7	Very low	33.8	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	73%	0.729	S	S	*	*			trans	-69.4	163.1	169.4	46.9	0	0	0	0	112.6
596	P	27.5	Very low	32	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	75%	0.747	S	S	*	*				-142.9	136.1	103.8	35	-19.6	0	0	0	116.9
597	S	29.1	Very low	30.9	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	74%	0.742	S	S	*	*			trans	61	129.7	144	60.9	0	0	0	0	123.9
598	N	31.1	Very low	30.3	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	76%	0.757	S	S	*	*			trans	80.5	136.1	152.6	-55.9	-14.3	0	0	0	118.5
599	V	34.9	Very low	30.2	Very low	116 Å²	116	141 Å²	141	70%	0.703	76%	0.755	S	S	*	*			cis	-152.8	146	-9.7	125.5	0	0	0	0	109.1
600	D	30.3	Very low	30.3	Very low	133 Å²	133	140.6 Å²	140.6	71%	0.711	77%	0.765	S	S	*	*			trans	42.3	102.2	162.9	-59	-20.6	0	0	0	122.8
601	L	30.4	Very low	30.3	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	77%	0.765	S	S	*	*			trans	-159	86.1	136.4	-107.1	163.9	0	0	0	108.3
602	R	29.9	Very low	30.4	Very low	234 Å²	234	145.9 Å²	145.9	88%	0.883	78%	0.775	S	S	*	*			trans	-100.4	100.9	-179.7	-75.6	-172.9	-178.7	179.7	2.4	111.7
603	F	30.6	Very low	30.7	Very low	178 Å²	178	143.2 Å²	143.2	78%	0.781	77%	0.77	S	S	*	*			trans	-70.8	126.3	154.9	-69.8	-87.4	0	0	0	108.8	T605	F603-T605 PolarHBondContact O-N 3.22Å
604	P	30.7	Very low	30.5	Very low	77 Å²	77	139 Å²	139	50%	0.5	77%	0.77	S	S	.	*			trans	-81.7	102.6	179.6	30.3	-31.1	0	0	0	110.7	M606	P604-M606 PolarHBondContact O-N 3.26Å
605	T	31.5	Very low	30.4	Very low	126 Å²	126	137.6 Å²	137.6	77%	0.773	77%	0.766	S	S	*	*			trans	-65.9	113.5	164.6	-27.6	0	0	0	0	108.6	F603 T607	F603-T605 PolarHBondContact O-N 3.22Å; T605-T607 PolarHBondContact O-N 2.76Å
606	M	30.2	Very low	30.6	Very low	145 Å²	145	137.1 Å²	137.1	71%	0.714	76%	0.763	S	S	*	*			trans	-68.9	104.7	173.4	-72.4	-93.8	72.2	0	0	109.6	P604	P604-M606 PolarHBondContact O-N 3.26Å
607	T	30.2	Very low	30.7	Very low	114 Å²	114	137.3 Å²	137.3	70%	0.699	76%	0.762	S	S	*	*			trans	-85.7	116.9	166.3	43.1	0	0	0	0	109.5	T605 E609	T605-T607 PolarHBondContact O-N 2.76Å; T607-E609 PolarHBondContact O-N 2.89Å
608	S	32.8	Very low	30.6	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	76%	0.759	S	S	*	*			trans	-76.3	100.8	164.9	36.8	0	0	0	0	109.6	T610	S608-T610 PolarHBondContact O-N 3Å
609	E	30.8	Very low	30.8	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	76%	0.763	S	S	*	*			trans	-67.7	112.6	170.3	-67.1	-171.5	156	0	0	110.4	T607	T607-E609 PolarHBondContact O-N 2.89Å
610	T	34.6	Very low	30.5	Very low	138 Å²	138	139.6 Å²	139.6	85%	0.847	76%	0.762	S	S	*	*			trans	-113.3	111.2	158.3	33.4	0	0	0	0	110	S608	S608-T610 PolarHBondContact O-N 3Å
611	K	29.6	Very low	30.6	Very low	189 Å²	189	141 Å²	141	82%	0.822	77%	0.769	S	S	*	*			trans	-58.2	137.5	176.8	-61.1	163	179.6	167.7	0	110.8
612	L	30.9	Very low	30.5	Very low	174 Å²	174	142.1 Å²	142.1	91%	0.911	77%	0.77	S	S	*	*			trans	-160.3	142.3	133.3	-107.9	148.7	0	0	0	111.4
613	N	31.9	Very low	30.5	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	76%	0.762	S	S	*	*			trans	-98.5	150.7	-162.9	-65.3	-39.5	0	0	0	113
614	G	28.6	Very low	30.4	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	77%	0.766	S	S	*	*			trans	74.2	155.9	156.6	0	0	0	0	0	116.2
615	S	29.5	Very low	30.4	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	78%	0.779	S	S	*	*			cis	-174.3	141	-11.3	47.8	0	0	0	0	107.9
616	T	28.2	Very low	30.3	Very low	124 Å²	124	139.6 Å²	139.6	76%	0.761	78%	0.779	S	S	*	*			trans	57.2	142.9	147.6	54.9	0	0	0	0	118.7
617	T	29.7	Very low	30.4	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	77%	0.772	S	S	*	*			cis	-166.9	144.3	8.4	5.9	0	0	0	0	109
618	S	26.5	Very low	30.7	Very low	85 Å²	85	141.7 Å²	141.7	59%	0.594	78%	0.782	S	S	*	*			trans	33.9	137	142.5	66.2	0	0	0	0	122
619	H	34.5	Very low	30.8	Very low	193 Å²	193	139.8 Å²	139.8	89%	0.894	77%	0.774	S	S	*	*				-155.8	144	110.5	-100.8	-67.5	0	0	0	112.4
620	I	29.1	Very low	30.9	Very low	131 Å²	131	138.9 Å²	138.9	67%	0.672	77%	0.767	S	S	*	*			trans	-95.4	148.3	-176.9	-69.4	157.4	0	0	0	109.2
621	N	32.9	Very low	31	Very low	163 Å²	163	136.4 Å²	136.4	87%	0.872	76%	0.755	S	S	*	*			trans	-161	143.2	133.3	-101.1	-27.1	0	0	0	114.3
622	Q	27.6	Very low	31	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	75%	0.75	S	S	*	*			trans	-100.5	163.1	-174.3	-60.9	154.1	-51	0	0	111
623	G	29.3	Very low	31.1	Very low	69 Å²	69	130.1 Å²	130.1	71%	0.711	74%	0.735	S	S	*	*			trans	170.3	107.1	160.4	0	0	0	0	0	118
624	K	30.4	Very low	31.1	Very low	198 Å²	198	127 Å²	127	86%	0.861	72%	0.724	S	S	*	*			trans	62.4	113.3	151.3	-58.1	176.6	178.8	-179.8	0	116.9
625	I	30	Very low	31.3	Very low	151 Å²	151	128.9 Å²	128.9	77%	0.774	72%	0.721	S	S	*	*				54.7	96.7	68.4	-53.4	174.6	0	0	0	111.7
626	D	29.8	Very low	31.2	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	73%	0.728	S	S	*	*			trans	-177.2	156.1	133.1	-93.4	-24.8	0	0	0	111.9
627	N	32.6	Very low	31.3	Very low	105 Å²	105	128.7 Å²	128.7	56%	0.561	71%	0.708	S	S	*	*			trans	85.2	70.1	169.6	-52.9	-66.1	0	0	0	119.8	A629 K630	N627-A629 PolarHBondContact O-N 3.41Å; N627-K630 HydrophobicContact CB-CG 4.22Å
628	Q	35.3	Very low	31.4	Very low	197 Å²	197	126.7 Å²	126.7	92%	0.921	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-60.7	-10.9	151.3	-78.4	176.5	-32.3	0	0	113.5	K630	Q628-K630 PolarHBondContact O-N 2.58Å
629	A	34.4	Very low	31.8	Very low	77 Å²	77	125.7 Å²	125.7	64%	0.636	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-74.3	-13.4	179	0	0	0	0	0	115.3	N627	N627-A629 PolarHBondContact O-N 3.41Å
630	K	32.9	Very low	32	Very low	153 Å²	153	118.1 Å²	118.1	67%	0.665	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-78.8	-14.9	-178.6	-73.2	-171.8	176.5	-173.2	0	114.5	N627 Q628 L632 V633 S634	N627-K630 HydrophobicContact CB-CG 4.22Å; Q628-K630 PolarHBondContact O-N 2.58Å; K630-L632 VanDerWaalsContact C-N 3.29Å; K630-L632 PolarHBondContact O-N 2.92Å; K630-V633 PolarHBondContact O-N 3.3Å; K630-S634 PolarHBondContact O-N 3.15Å
631	S	36.9	Very low	33.1	Very low	86 Å²	86	112.6 Å²	112.6	60%	0.601	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-70.4	-13.9	-172.2	-170.4	0	0	0	0	115.7	V635	S631-V635 WeakPolarHBondContact O-CG2 3.15Å
632	L	30.7	Very low	33.9	Very low	135 Å²	135	112.4 Å²	112.4	71%	0.707	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-27	178.3	-91.4	153.8	0	0	0	112.9	K630 V635	K630-L632 VanDerWaalsContact C-N 3.29Å; K630-L632 PolarHBondContact O-N 2.92Å; L632-V635 PolarHBondContact O-N 2.96Å
633	V	31.9	Very low	35.1	Very low	97 Å²	97	107.9 Å²	107.9	59%	0.588	62%	0.62	S	S	*	*	H	α-helix	trans	-74.2	-37.7	177.8	-179.6	0	0	0	0	111.2	K630 V635 M636 S637	K630-V633 PolarHBondContact O-N 3.3Å; V633-V635 PolarHBondContact O-N 3.13Å; V633-V635 VanDerWaalsContact O-N 3.16Å; V633-M636 PolarHBondContact O-N 3.31Å; V633-S637 PolarHBondContact O-N 3.11Å; V633-S637 VanDerWaalsContact O-N 3.16Å; V633-S637 PolarHBondContact O-OG 3.19Å
634	S	31.5	Very low	36.9	Very low	85 Å²	85	105.6 Å²	105.6	59%	0.594	59%	0.592	S	S	*	*	H	α-helix	trans	-69.9	-4.8	175.3	69.3	0	0	0	0	114.5	K630	K630-S634 PolarHBondContact O-N 3.15Å
635	V	32.7	Very low	39.5	Very low	113 Å²	113	99.2 Å²	99.2	69%	0.685	57%	0.568	S	S	*	*	H	α-helix	trans	-99.4	-18.8	175.8	178.4	0	0	0	0	111.2	S631 L632 V633	S631-V635 WeakPolarHBondContact O-CG2 3.15Å; L632-V635 PolarHBondContact O-N 2.96Å; V633-V635 PolarHBondContact O-N 3.13Å; V633-V635 VanDerWaalsContact O-N 3.16Å
636	M	29	Very low	42.2	Very low	170 Å²	170	93.4 Å²	93.4	84%	0.837	54%	0.539	S	S	*	.	H	α-helix	trans	-105	-7.4	178.5	-62.6	-171.9	71.9	0	0	113.7	V633	V633-M636 PolarHBondContact O-N 3.31Å
637	S	29.9	Very low	45	Very low	50 Å²	50	86.5 Å²	86.5	35%	0.35	50%	0.502	S	S	.	.	S	Bend	trans	-111.3	122.9	175.9	-53.6	0	0	0	0	109.1	V633 D639	V633-S637 PolarHBondContact O-N 3.11Å; V633-S637 VanDerWaalsContact O-N 3.16Å; V633-S637 PolarHBondContact O-OG 3.19Å; S637-D639 VanDerWaalsContact CB-OD2 3.29Å; S637-D639 WeakPolarHBondContact CB-OD2 3.34Å; S637-D639 PolarHBondContact O-N 2.76Å
638	G	30.9	Very low	47.6	Very low	75 Å²	75	85.5 Å²	85.5	77%	0.773	49%	0.49	S	S	*	.			trans	-78.1	41.1	-169.9	0	0	0	0	0	115.2	G640	G638-G640 VanDerWaalsContact C-N 3.3Å; G638-G640 PolarHBondContact O-N 2.97Å
639	D	36.2	Very low	50.1	Low	65 Å²	65	77.9 Å²	77.9	35%	0.348	45%	0.453	S	S	.	.			trans	-74.6	69.9	-166.8	-70.8	-58.9	0	0	0	113.8	S637 I641 E642	S637-D639 VanDerWaalsContact CB-OD2 3.29Å; S637-D639 WeakPolarHBondContact CB-OD2 3.34Å; S637-D639 PolarHBondContact O-N 2.76Å; D639-I641 PolarHBondContact O-N 3.24Å; D639-E642 HydrophobicContact CB-CG 4.36Å
640	G	38.7	Very low	52.5	Low	33 Å²	33	80.1 Å²	80.1	34%	0.34	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.3	169.7	0	0	0	0	0	114.4	G638	G638-G640 VanDerWaalsContact C-N 3.3Å; G638-G640 PolarHBondContact O-N 2.97Å
641	I	52.7	Low	54.7	Low	15 Å²	15	80 Å²	80	8%	0.077	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.4	-177.6	-65	163.5	0	0	0	112.4	F584 D639 D643 T644 Y692	F584-I641 HydrophobicContact CE1-CB 4.43Å; F584-I641 HydrophobicContact CE1-CG1 3.64Å; F584-I641 HydrophobicContact CE2-CG1 4.28Å; F584-I641 HydrophobicContact CZ-CD1 4.32Å; F584-I641 HydrophobicContact CZ-CG1 3.43Å; F584-I641 VanDerWaalsContact CZ-CG1 3.43Å; D639-I641 PolarHBondContact O-N 3.24Å; I641-D643 VanDerWaalsContact C-N 3.29Å; I641-D643 PolarHBondContact O-N 3.43Å; I641-T644 PolarHBondContact O-N 3.01Å; I641-Y692 HydrophobicContact CD1-CD1 4.48Å; I641-Y692 HydrophobicContact CD1-CE1 3.7Å
642	E	48.4	Very low	57	Low	159 Å²	159	79.1 Å²	79.1	74%	0.743	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.8	-171.4	-68.3	-157.4	147.8	0	0	114.1	D639	D639-E642 HydrophobicContact CB-CG 4.36Å
643	D	53	Low	59.9	Low	89 Å²	89	75.6 Å²	75.6	48%	0.476	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-32.9	177.1	-88.8	-36.3	0	0	0	113.1	K589 I641	K589-D643 IonicContact NZ-OD1 2.73Å; K589-D643 PolarHBondContact NZ-OD1 3.17Å; K589-D643 IonicContact NZ-OD2 3.6Å; I641-D643 VanDerWaalsContact C-N 3.29Å; I641-D643 PolarHBondContact O-N 3.43Å
644	T	67.7	Low	62.8	Low	20 Å²	20	71 Å²	71	12%	0.123	41%	0.409	C	S	.	.			trans	-153.9	138.5	-179.9	59	0	0	0	0	115.7	M585 T587 I641 V646	M585-T644 WeakPolarHBondContact O-CG2 3.47Å; M585-T644 PolarHBondContact O-OG1 2.94Å; M585-T644 VanDerWaalsContact O-OG1 3.08Å; T587-T644 HydrophobicContact CG2-CG2 3.62Å; I641-T644 PolarHBondContact O-N 3.01Å; T644-V646 PolarHBondContact O-N 3.45Å; T644-V646 PolarHBondContact OG1-O 3.01Å
645	N	83.6	Confident	65.7	Low	65 Å²	65	71 Å²	71	35%	0.348	40%	0.396	S	S	.	.	S	Bend	trans	-77.6	7.1	166.6	-67.7	-8.1	0	0	0	114	Y655 I656	N645-Y655 HydrophobicContact CB-CD2 4.16Å; N645-Y655 HydrophobicContact CB-CE2 3.56Å; N645-Y655 PolarHBondContact ND2-OH 3.12Å; N645-Y655 WeakPolarHBondContact O-CA 3.43Å; N645-I656 PolarHBondContact O-N 3.05Å
646	V	88.2	Confident	68.4	Low	28 Å²	28	65.7 Å²	65.7	17%	0.17	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127	-173.1	-175	0	0	0	0	110.1	M585 T644 L653 Y655	M585-V646 HydrophobicContact CE-CG1 4.29Å; M585-V646 PolarHBondContact N-O 3.32Å; T644-V646 PolarHBondContact O-N 3.45Å; T644-V646 PolarHBondContact OG1-O 3.01Å; V646-L653 HydrophobicContact CG1-CD2 4.48Å; V646-Y655 HydrophobicContact CG2-CD2 4.27Å
647	A	87.5	Confident	71.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	175.7	-178.2	0	0	0	0	0	111.6	V582 V583 F584 L653 I654 I656	V582-A647 HydrophobicContact CG1-CB 3.31Å; V583-A647 CarbonylContact O-C 3.59Å; V583-A647 VanDerWaalsContact O-CA 3.3Å; V583-A647 WeakPolarHBondContact O-CA 3.3Å; V583-A647 WeakPolarHBondContact O-CB 3.2Å; F584-A647 HydrophobicContact CD1-CB 3.98Å; F584-A647 HydrophobicContact CE1-CB 4.31Å; F584-A647 HydrophobicContact CG-CB 4.24Å; A647-L653 WeakPolarHBondContact O-CA 3.36Å; A647-I654 HydrophobicContact CB-CD1 4.3Å; A647-I654 HydrophobicContact CB-CG1 4.04Å; A647-I654 PolarHBondContact N-O 2.85Å; A647-I654 VanDerWaalsContact O-CG1 3.31Å; A647-I654 WeakPolarHBondContact O-CG1 3.33Å; A647-I654 PolarHBondContact O-N 3Å; A647-I656 HydrophobicContact CB-CD1 4.03Å
648	R	88.6	Confident	74	Confident	84 Å²	84	62.3 Å²	62.3	32%	0.317	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.7	175.9	-166.6	177.3	-67	167.9	2.6	110.3	N47 V583 S652	N47-R648 PolarHBondContact ND2-NH1 2.98Å; N47-R648 VanDerWaalsContact ND2-NH1 3.19Å; V583-R648 PolarHBondContact N-O 3.33Å; V583-R648 PolarHBondContact O-N 3.07Å; R648-S652 WeakPolarHBondContact CA-O 3.47Å
649	Y	87.4	Confident	76.5	Confident	36 Å²	36	59.1 Å²	59.1	14%	0.141	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	126.8	176.2	173.6	-111.7	0	0	0	108.5	L577 D581 N651 S652 I689	L577-Y649 HydrophobicContact CD1-CD1 4.5Å; L577-Y649 HydrophobicContact CD1-CD2 4.36Å; L577-Y649 HydrophobicContact CD1-CE2 4.41Å; L577-Y649 HydrophobicContact CD1-CG 4.42Å; L577-Y649 HydrophobicContact CD2-CD2 4.23Å; L577-Y649 HydrophobicContact CD2-CE1 4.34Å; L577-Y649 HydrophobicContact CD2-CE2 3.55Å; D581-Y649 HydrophobicContact CB-CD2 4.29Å; D581-Y649 HydrophobicContact CB-CE2 4.16Å; D581-Y649 WeakPolarHBondContact O-CD2 3.45Å; Y649-N651 VanDerWaalsContact C-N 3.31Å; Y649-N651 PolarHBondContact O-N 2.88Å; Y649-S652 PolarHBondContact N-O 3.08Å; Y649-S652 PolarHBondContact O-N 3.13Å; Y649-I689 HydrophobicContact CD1-CG2 4.19Å; Y649-I689 HydrophobicContact CE1-CG2 3.95Å
650	N	84.1	Confident	78.5	Confident	124 Å²	124	62.7 Å²	62.7	66%	0.663	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	51	-174.5	-61.6	-26.3	0	0	0	113.2	S652	N650-S652 PolarHBondContact O-N 3.22Å
651	N	78.8	Confident	80.4	Confident	150 Å²	150	62 Å²	62	80%	0.802	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-6.5	-174.1	-67.5	-13	0	0	0	117.4	Y649	Y649-N651 VanDerWaalsContact C-N 3.31Å; Y649-N651 PolarHBondContact O-N 2.88Å
652	S	86.2	Confident	81	Confident	69 Å²	69	68.6 Å²	68.6	48%	0.483	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	148	176	-63.2	0	0	0	0	111.9	R648 Y649 N650	R648-S652 WeakPolarHBondContact CA-O 3.47Å; Y649-S652 PolarHBondContact N-O 3.08Å; Y649-S652 PolarHBondContact O-N 3.13Å; N650-S652 PolarHBondContact O-N 3.22Å
653	L	90.5	Very high	81.6	Confident	60 Å²	60	66.4 Å²	66.4	31%	0.314	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.4	172.5	-70	174.1	0	0	0	110.5	M585 V646 A647 H704	M585-L653 HydrophobicContact CE-CD2 3.85Å; M585-L653 HydrophobicContact SD-CD2 3.79Å; V646-L653 HydrophobicContact CG1-CD2 4.48Å; A647-L653 WeakPolarHBondContact O-CA 3.36Å; L653-H704 HydrophobicContact CB-CB 3.78Å; L653-H704 VanDerWaalsContact O-CB 3.26Å; L653-H704 WeakPolarHBondContact O-CB 3.26Å; L653-H704 PolarHBondContact O-N 2.73Å; L653-H704 VanDerWaalsContact O-N 3.1Å
654	I	92.5	Very high	82.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.5	-178.4	60.1	161.1	0	0	0	111.1	V582 A647 I656 I689 V701 F702	V582-I654 HydrophobicContact CG1-CD1 4.24Å; V582-I654 HydrophobicContact CG2-CD1 4.19Å; A647-I654 HydrophobicContact CB-CD1 4.3Å; A647-I654 HydrophobicContact CB-CG1 4.04Å; A647-I654 PolarHBondContact N-O 2.85Å; A647-I654 VanDerWaalsContact O-CG1 3.31Å; A647-I654 WeakPolarHBondContact O-CG1 3.33Å; A647-I654 PolarHBondContact O-N 3Å; I654-I656 HydrophobicContact CD1-CD1 4Å; I654-I656 HydrophobicContact CD1-CG1 4.09Å; I654-I689 HydrophobicContact CB-CD1 4.26Å; I654-I689 HydrophobicContact CG2-CD1 3.32Å; I654-V701 HydrophobicContact CB-CG1 3.87Å; I654-V701 HydrophobicContact CD1-CG1 3.54Å; I654-V701 HydrophobicContact CG1-CG1 4.24Å; I654-V701 HydrophobicContact CG2-CG1 4.36Å; I654-F702 WeakPolarHBondContact CA-O 3.5Å
655	Y	92.5	Very high	82.3	Confident	85 Å²	85	66.5 Å²	66.5	33%	0.333	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.5	174.3	-173.1	-94.4	0	0	0	110	N645 V646 K657 V701 F702	N645-Y655 HydrophobicContact CB-CD2 4.16Å; N645-Y655 HydrophobicContact CB-CE2 3.56Å; N645-Y655 PolarHBondContact ND2-OH 3.12Å; N645-Y655 WeakPolarHBondContact O-CA 3.43Å; V646-Y655 HydrophobicContact CG2-CD2 4.27Å; Y655-K657 HydrophobicContact CD1-CB 4.33Å; Y655-K657 HydrophobicContact CE1-CB 4.01Å; Y655-V701 WeakPolarHBondContact O-CA 3.47Å; Y655-F702 PolarHBondContact N-O 3.03Å; Y655-F702 PolarHBondContact O-N 2.9Å
656	I	90.8	Very high	82.1	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.2	-177.3	-59.5	-176.4	0	0	0	108.6	V582 F584 N645 A647 I654 Y692 C699 V701	V582-I656 HydrophobicContact CG1-CD1 3.69Å; F584-I656 HydrophobicContact CE1-CD1 3.82Å; F584-I656 HydrophobicContact CZ-CD1 3.79Å; N645-I656 PolarHBondContact O-N 3.05Å; A647-I656 HydrophobicContact CB-CD1 4.03Å; I654-I656 HydrophobicContact CD1-CD1 4Å; I654-I656 HydrophobicContact CD1-CG1 4.09Å; I656-Y692 HydrophobicContact CD1-CD2 4.46Å; I656-Y692 HydrophobicContact CD1-CG 4.49Å; I656-Y692 HydrophobicContact CG2-CD1 4.31Å; I656-Y692 HydrophobicContact CG2-CG 4.49Å; I656-C699 HydrophobicContact CG2-CB 3.61Å; I656-V701 HydrophobicContact CG1-CG1 4.34Å; I656-V701 HydrophobicContact CG1-CG2 4.13Å
657	K	88.9	Confident	81.9	Confident	40 Å²	40	69.2 Å²	69.2	17%	0.174	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.6	-179.7	-173.6	173.5	-178.5	177.5	0	111.1	Y655 C699 L700 D768	Y655-K657 HydrophobicContact CD1-CB 4.33Å; Y655-K657 HydrophobicContact CE1-CB 4.01Å; K657-C699 CarbonylContact O-C 3.53Å; K657-C699 WeakPolarHBondContact O-CA 3.36Å; K657-C699 WeakPolarHBondContact O-CB 3.4Å; K657-L700 PolarHBondContact N-O 3.35Å; K657-L700 PolarHBondContact O-N 3.42Å; K657-D768 WeakPolarHBondContact CD-OD1 3.39Å; K657-D768 WeakPolarHBondContact CE-OD1 3.47Å; K657-D768 IonicContact NZ-OD1 2.85Å; K657-D768 PolarHBondContact NZ-OD1 3.44Å; K657-D768 IonicContact NZ-OD2 2.7Å; K657-D768 PolarHBondContact NZ-OD2 3.45Å
658	R	86.6	Confident	81.7	Confident	109 Å²	109	72.8 Å²	72.8	41%	0.411	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.3	173.2	-165.6	172	-169	159.9	9.2	111.2	S696 A697	R658-S696 PolarHBondContact NH2-O 2.94Å; R658-S696 PolarHBondContact NH2-OG 3.38Å; R658-A697 HydrophobicContact CG-CB 4.16Å
659	L	83.5	Confident	81.7	Confident	8 Å²	8	76.3 Å²	76.3	4%	0.042	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.6	167.9	-55.2	179.8	0	0	0	108.5	L661 F670 L698 L700 L771 I774	L659-L661 HydrophobicContact CB-CD1 3.8Å; L659-L661 HydrophobicContact CB-CG 3.91Å; L659-L661 HydrophobicContact CD1-CD1 3.94Å; L659-L661 PolarHBondContact O-N 3.47Å; L659-F670 HydrophobicContact CD1-CE2 4.13Å; L659-F670 HydrophobicContact CD1-CZ 4.47Å; L659-L698 VanDerWaalsContact CB-O 3.28Å; L659-L698 WeakPolarHBondContact CB-O 3.33Å; L659-L698 HydrophobicContact CD1-CG 4.36Å; L659-L698 PolarHBondContact N-O 3.25Å; L659-L700 HydrophobicContact CD1-CD2 4.38Å; L659-L700 HydrophobicContact CD1-CG 4.03Å; L659-L700 HydrophobicContact CD2-CD1 4.16Å; L659-L700 HydrophobicContact CD2-CG 4.15Å; L659-L700 HydrophobicContact CG-CG 4.26Å; L659-L771 HydrophobicContact CD2-CD2 3.7Å; L659-I774 HydrophobicContact CD1-CG2 3.93Å
660	E	79.1	Confident	81.8	Confident	141 Å²	141	74.6 Å²	74.6	66%	0.659	39%	0.393	S	S	*	.			trans	-74.4	66.3	177.2	-64.1	176.6	175.7	0	0	111.1
661	L	77.4	Confident	82	Confident	19 Å²	19	69.5 Å²	69.5	10%	0.099	37%	0.365	C	S	.	.			trans	-103	122.2	-177.8	-65.5	171.5	0	0	0	110.4	L659 N663 L698 F775 Y778 T780	L659-L661 HydrophobicContact CB-CD1 3.8Å; L659-L661 HydrophobicContact CB-CG 3.91Å; L659-L661 HydrophobicContact CD1-CD1 3.94Å; L659-L661 PolarHBondContact O-N 3.47Å; L661-N663 PolarHBondContact O-N 3.48Å; L661-L698 HydrophobicContact CD1-CD2 4.08Å; L661-F775 HydrophobicContact CD2-CD1 3.76Å; L661-F775 HydrophobicContact CD2-CE1 3.7Å; L661-Y778 HydrophobicContact CD1-CD1 4.36Å; L661-Y778 HydrophobicContact CD1-CD2 3.79Å; L661-Y778 HydrophobicContact CD1-CE2 4.02Å; L661-Y778 HydrophobicContact CD1-CG 3.98Å; L661-Y778 HydrophobicContact CD2-CD2 4.46Å; L661-Y778 HydrophobicContact CD2-CG 4.12Å; L661-T780 HydrophobicContact CD2-CG2 4.34Å
662	N	65	Low	82.4	Confident	152 Å²	152	65.1 Å²	65.1	81%	0.813	34%	0.342	S	S	*	.	S	Bend	trans	-62.9	-3.9	-177.7	-66.1	-9.3	0	0	0	115
663	N	62.1	Low	82.7	Confident	113 Å²	113	62.4 Å²	62.4	60%	0.604	32%	0.322	S	S	*	.			trans	-149.9	87.4	-174.7	-157.1	-16.8	0	0	0	109.8	L661 A665 Y778	L661-N663 PolarHBondContact O-N 3.48Å; N663-A665 PolarHBondContact O-N 3.34Å; N663-Y778 VanDerWaalsContact O-CE1 3.28Å; N663-Y778 WeakPolarHBondContact O-CE1 3.46Å
664	A	62.3	Low	82.7	Confident	50 Å²	50	59.5 Å²	59.5	41%	0.413	31%	0.307	S	S	.	.			trans	-70.2	4.3	-169.2	0	0	0	0	0	115.4	L666	A664-L666 PolarHBondContact O-N 3.31Å
665	A	72.6	Confident	82.6	Confident	61 Å²	61	64.6 Å²	64.6	50%	0.504	33%	0.326	S	S	.	.			trans	-60.5	127.7	177.3	0	0	0	0	0	111.7	N663 K667 Y778	N663-A665 PolarHBondContact O-N 3.34Å; A665-K667 PolarHBondContact O-N 3Å; A665-K667 VanDerWaalsContact O-N 3.13Å; A665-Y778 WeakPolarHBondContact O-CE1 3.37Å; A665-Y778 PolarHBondContact O-OH 2.97Å
666	L	80	Confident	82.5	Confident	66 Å²	66	63.2 Å²	63.2	35%	0.346	32%	0.324	S	S	.	.			trans	-75.4	100	-173.2	-154.9	96.8	0	0	0	111.4	I576 A664 F670 L671 V693 L698	I576-L666 HydrophobicContact CD1-CD2 3.72Å; I576-L666 HydrophobicContact CG1-CD2 4.49Å; A664-L666 PolarHBondContact O-N 3.31Å; L666-F670 HydrophobicContact CD1-CD1 4.38Å; L666-F670 HydrophobicContact CD1-CE1 4.24Å; L666-F670 HydrophobicContact CG-CD1 4.46Å; L666-L671 HydrophobicContact CD2-CD1 3.62Å; L666-L671 HydrophobicContact CD2-CD2 3.92Å; L666-L671 HydrophobicContact CD2-CG 3.73Å; L666-L671 HydrophobicContact CG-CG 4.33Å; L666-V693 HydrophobicContact CD1-CG2 3.66Å; L666-L698 HydrophobicContact CD1-CD1 3.7Å
667	K	84.6	Confident	82.6	Confident	85 Å²	85	63.1 Å²	63.1	37%	0.37	32%	0.323	S	S	.	.			trans	-75.5	141.9	-178.4	-62	-173.4	-172.7	-174.1	0	111.3	A665 K669 F670 L671 I777 Y778	A665-K667 PolarHBondContact O-N 3Å; A665-K667 VanDerWaalsContact O-N 3.13Å; K667-K669 VanDerWaalsContact C-N 3.28Å; K667-K669 PolarHBondContact O-N 3.08Å; K667-F670 HydrophobicContact CB-CB 4.24Å; K667-F670 WeakPolarHBondContact O-CB 3.43Å; K667-F670 PolarHBondContact O-N 3.19Å; K667-L671 PolarHBondContact O-N 3.37Å; K667-I777 HydrophobicContact CB-CG2 4.44Å; K667-I777 HydrophobicContact CD-CG2 4.06Å; K667-I777 PolarHBondContact NZ-O 3.04Å; K667-Y778 HydrophobicContact CD-CD1 4.33Å; K667-Y778 HydrophobicContact CD-CE1 4.09Å; K667-Y778 HydrophobicContact CG-CE1 4.02Å; K667-Y778 PolarHBondContact N-OH 3.17Å
668	S	83.3	Confident	82.7	Confident	74 Å²	74	63.6 Å²	63.6	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-39.6	175.8	-169.6	0	0	0	0	112.5	F670 L671 D672	S668-F670 VanDerWaalsContact C-N 3.25Å; S668-F670 PolarHBondContact O-N 3.06Å; S668-L671 PolarHBondContact O-N 3.36Å; S668-D672 PolarHBondContact O-N 2.99Å; S668-D672 VanDerWaalsContact O-N 3.07Å
669	K	88.1	Confident	82.9	Confident	159 Å²	159	63.8 Å²	63.8	69%	0.691	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-33.3	175.3	-69.8	-172.7	175.4	-173.7	0	112.6	K667 H673 I777	K667-K669 VanDerWaalsContact C-N 3.28Å; K667-K669 PolarHBondContact O-N 3.08Å; K669-H673 WeakPolarHBondContact O-CB 3.42Å; K669-H673 PolarHBondContact O-N 3.37Å; K669-H673 VanDerWaalsContact O-N 3.08Å; K669-I777 HydrophobicContact CB-CD1 4.49Å; K669-I777 HydrophobicContact CB-CG1 4.45Å; K669-I777 HydrophobicContact CB-CG2 4.04Å
670	F	89.1	Confident	83.3	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-46	176.3	166.9	-95.8	0	0	0	111.3	L659 L666 K667 S668 D672 H673 V674 C691 L698 L700 I774 I777 Y778	L659-F670 HydrophobicContact CD1-CE2 4.13Å; L659-F670 HydrophobicContact CD1-CZ 4.47Å; L666-F670 HydrophobicContact CD1-CD1 4.38Å; L666-F670 HydrophobicContact CD1-CE1 4.24Å; L666-F670 HydrophobicContact CG-CD1 4.46Å; K667-F670 HydrophobicContact CB-CB 4.24Å; K667-F670 WeakPolarHBondContact O-CB 3.43Å; K667-F670 PolarHBondContact O-N 3.19Å; S668-F670 VanDerWaalsContact C-N 3.25Å; S668-F670 PolarHBondContact O-N 3.06Å; F670-D672 VanDerWaalsContact C-N 3.29Å; F670-D672 PolarHBondContact O-N 3.07Å; F670-H673 PolarHBondContact O-N 2.99Å; F670-V674 HydrophobicContact CD1-CG2 4.23Å; F670-V674 HydrophobicContact CD2-CG2 4.06Å; F670-V674 HydrophobicContact CE1-CG2 3.78Å; F670-V674 HydrophobicContact CE2-CG2 3.61Å; F670-V674 HydrophobicContact CG-CG2 4.37Å; F670-V674 HydrophobicContact CZ-CG2 3.46Å; F670-V674 VanDerWaalsContact CZ-CG2 3.46Å; F670-V674 WeakPolarHBondContact O-CG2 2.97Å; F670-V674 PolarHBondContact O-N 3.16Å; F670-C691 HydrophobicContact CE1-CB 4.01Å; F670-C691 HydrophobicContact CZ-CB 4.04Å; F670-L698 HydrophobicContact CD1-CD2 4.28Å; F670-L698 HydrophobicContact CE1-CD1 3.86Å; F670-L698 HydrophobicContact CE1-CD2 3.83Å; F670-L698 HydrophobicContact CE1-CG 4.23Å; F670-L698 HydrophobicContact CE2-CD2 4.07Å; F670-L698 HydrophobicContact CZ-CD1 4Å; F670-L698 HydrophobicContact CZ-CD2 3.7Å; F670-L698 HydrophobicContact CZ-CG 3.98Å; F670-L700 HydrophobicContact CE2-CD2 4.31Å; F670-L700 HydrophobicContact CZ-CD2 4.07Å; F670-I774 HydrophobicContact CD2-CG1 4.26Å; F670-I774 HydrophobicContact CD2-CG2 3.88Å; F670-I774 HydrophobicContact CE2-CD1 4.13Å; F670-I774 HydrophobicContact CE2-CG1 4.29Å; F670-I774 HydrophobicContact CE2-CG2 3.79Å; F670-I777 HydrophobicContact CB-CG2 4.22Å; F670-Y778 HydrophobicContact CB-CE2 3.9Å; F670-Y778 AromaticContact CD2-CE2 3.87Å; F670-Y778 HydrophobicContact CD2-CE2 3.87Å; F670-Y778 AromaticContact CG-CE2 3.97Å; F670-Y778 HydrophobicContact CG-CE2 3.97Å
671	L	87.9	Confident	83.9	Confident	17 Å²	17	65.5 Å²	65.5	9%	0.089	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-38.4	175.6	-80.5	-178.9	0	0	0	112.9	Y568 L575 I576 L666 K667 S668 H673 V674 R675	Y568-L671 HydrophobicContact CD2-CD1 4.05Å; Y568-L671 HydrophobicContact CE2-CD1 4.3Å; Y568-L671 HydrophobicContact CG-CD1 4.49Å; L575-L671 HydrophobicContact CD2-CD2 4.21Å; I576-L671 HydrophobicContact CD1-CD1 4.27Å; I576-L671 HydrophobicContact CD1-CD2 4.08Å; I576-L671 HydrophobicContact CG1-CD2 3.89Å; L666-L671 HydrophobicContact CD2-CD1 3.62Å; L666-L671 HydrophobicContact CD2-CD2 3.92Å; L666-L671 HydrophobicContact CD2-CG 3.73Å; L666-L671 HydrophobicContact CG-CG 4.33Å; K667-L671 PolarHBondContact O-N 3.37Å; S668-L671 PolarHBondContact O-N 3.36Å; L671-H673 VanDerWaalsContact C-N 3.34Å; L671-V674 PolarHBondContact O-N 3.34Å; L671-R675 WeakPolarHBondContact O-CB 3.46Å; L671-R675 PolarHBondContact O-N 2.92Å
672	D	88.2	Confident	84.7	Confident	58 Å²	58	67.2 Å²	67.2	31%	0.31	34%	0.339	S	S	.	.	H	α-helix	trans	-67.9	-35.8	177.8	-69.9	-26.6	0	0	0	111.9	R564 Y568 S668 F670 L676	R564-D672 IonicContact CZ-OD1 3.12Å; R564-D672 IonicContact CZ-OD2 2.73Å; R564-D672 IonicContact NH2-OD1 3.56Å; R564-D672 PolarHBondContact NH2-OD1 3.48Å; R564-D672 IonicContact NH2-OD2 3.57Å; R564-D672 PolarHBondContact NH2-OD2 2.89Å; Y568-D672 PolarHBondContact OH-OD1 2.84Å; S668-D672 PolarHBondContact O-N 2.99Å; S668-D672 VanDerWaalsContact O-N 3.07Å; F670-D672 VanDerWaalsContact C-N 3.29Å; F670-D672 PolarHBondContact O-N 3.07Å; D672-L676 PolarHBondContact O-N 2.93Å; D672-L676 VanDerWaalsContact O-N 3.15Å
673	H	91	Very high	86	Confident	11 Å²	11	66.2 Å²	66.2	5%	0.051	33%	0.33	C	S	.	.	H	α-helix	trans	-70.5	-45.5	172.4	-163.5	70.7	0	0	0	112.7	K669 F670 L671 R675 L676 L677 G770 E773 I777	K669-H673 WeakPolarHBondContact O-CB 3.42Å; K669-H673 PolarHBondContact O-N 3.37Å; K669-H673 VanDerWaalsContact O-N 3.08Å; F670-H673 PolarHBondContact O-N 2.99Å; L671-H673 VanDerWaalsContact C-N 3.34Å; H673-R675 PolarHBondContact O-N 3.04Å; H673-L676 WeakPolarHBondContact O-CB 3.03Å; H673-L676 PolarHBondContact O-N 2.9Å; H673-L676 VanDerWaalsContact O-N 3.07Å; H673-L677 WeakPolarHBondContact O-CG 3.42Å; H673-L677 PolarHBondContact O-N 3.46Å; H673-G770 PolarHBondContact NE2-O 2.71Å; H673-E773 VanDerWaalsContact CE1-CD 3.46Å; H673-E773 IonicContact CE1-OE2 2.69Å; H673-E773 PolarHBondContact CE1-OE2 3.12Å; H673-E773 IonicContact ND1-OE2 3.6Å; H673-I777 HydrophobicContact CB-CD1 3.93Å
674	V	91.3	Very high	87.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-35.7	175.7	170.1	0	0	0	0	111.4	L575 F670 L671 L677 R678 L688 C691 L700	L575-V674 HydrophobicContact CD1-CG1 3.99Å; L575-V674 HydrophobicContact CD2-CG1 4.21Å; L575-V674 HydrophobicContact CG-CG1 4.03Å; F670-V674 HydrophobicContact CD1-CG2 4.23Å; F670-V674 HydrophobicContact CD2-CG2 4.06Å; F670-V674 HydrophobicContact CE1-CG2 3.78Å; F670-V674 HydrophobicContact CE2-CG2 3.61Å; F670-V674 HydrophobicContact CG-CG2 4.37Å; F670-V674 HydrophobicContact CZ-CG2 3.46Å; F670-V674 VanDerWaalsContact CZ-CG2 3.46Å; F670-V674 WeakPolarHBondContact O-CG2 2.97Å; F670-V674 PolarHBondContact O-N 3.16Å; L671-V674 PolarHBondContact O-N 3.34Å; V674-L677 PolarHBondContact O-N 3.17Å; V674-R678 PolarHBondContact O-N 3.5Å; V674-L688 HydrophobicContact CG1-CD2 4.07Å; V674-C691 HydrophobicContact CG1-CB 4.45Å; V674-L700 HydrophobicContact CG2-CD2 4.04Å
675	R	89.5	Confident	89.2	Confident	106 Å²	106	58.6 Å²	58.6	40%	0.4	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-49.7	171.1	179.9	-175.9	171	162.8	3.4	111.7	L575 L671 H673 L677 R678 E679	L575-R675 HydrophobicContact CD2-CB 4.01Å; L671-R675 WeakPolarHBondContact O-CB 3.46Å; L671-R675 PolarHBondContact O-N 2.92Å; H673-R675 PolarHBondContact O-N 3.04Å; R675-L677 VanDerWaalsContact C-N 3.27Å; R675-L677 PolarHBondContact O-N 3Å; R675-R678 PolarHBondContact O-N 3.32Å; R675-R678 VanDerWaalsContact O-N 3.16Å; R675-E679 IonicContact CZ-OE1 2.67Å; R675-E679 IonicContact NE-OE1 3.46Å; R675-E679 PolarHBondContact NE-OE1 3.06Å; R675-E679 IonicContact NH2-OE1 3.86Å; R675-E679 PolarHBondContact O-N 3.4Å
676	L	91.7	Very high	90.3	Very high	56 Å²	56	55.9 Å²	55.9	29%	0.293	26%	0.259	S	S	.	.	H	α-helix	trans	-56.5	-43.1	176.8	-179.6	67.5	0	0	0	111.3	D672 H673 R678 E679 P744 I745	D672-L676 PolarHBondContact O-N 2.93Å; D672-L676 VanDerWaalsContact O-N 3.15Å; H673-L676 WeakPolarHBondContact O-CB 3.03Å; H673-L676 PolarHBondContact O-N 2.9Å; H673-L676 VanDerWaalsContact O-N 3.07Å; L676-R678 PolarHBondContact O-N 3.42Å; L676-E679 PolarHBondContact O-N 2.96Å; L676-P744 HydrophobicContact CD1-CB 4.1Å; L676-P744 HydrophobicContact CD1-CG 4.16Å; L676-P744 HydrophobicContact CD2-CB 4.32Å; L676-I745 HydrophobicContact CD2-CG2 4.47Å
677	L	93	Very high	91	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-28.4	178.9	-64	176.6	0	0	0	113.9	H673 V674 R675 I680 L688 I745 Y769 I774	H673-L677 WeakPolarHBondContact O-CG 3.42Å; H673-L677 PolarHBondContact O-N 3.46Å; V674-L677 PolarHBondContact O-N 3.17Å; R675-L677 VanDerWaalsContact C-N 3.27Å; R675-L677 PolarHBondContact O-N 3Å; L677-I680 HydrophobicContact CD2-CD1 4.12Å; L677-L688 HydrophobicContact CB-CD2 3.46Å; L677-L688 VanDerWaalsContact CB-CD2 3.46Å; L677-L688 HydrophobicContact CD1-CD2 4.14Å; L677-L688 HydrophobicContact CG-CD2 4.47Å; L677-I745 HydrophobicContact CD2-CG2 3.81Å; L677-Y769 HydrophobicContact CB-CE2 4.23Å; L677-Y769 HydrophobicContact CD2-CD2 3.76Å; L677-Y769 HydrophobicContact CD2-CE2 3.93Å; L677-Y769 PolarHBondContact O-OH 3.15Å; L677-I774 HydrophobicContact CD1-CD1 3.99Å
678	R	91.3	Very high	91.4	Very high	50 Å²	50	50.5 Å²	50.5	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-73.7	-27.3	173.5	173	178.3	174.8	159	-6.2	113.2	P572 K574 L575 V674 R675 L676 I680 L688 I689	P572-R678 PolarHBondContact O-NH2 3.33Å; K574-R678 PolarHBondContact O-NH1 3.37Å; L575-R678 HydrophobicContact CD1-CB 4.36Å; V674-R678 PolarHBondContact O-N 3.5Å; R675-R678 PolarHBondContact O-N 3.32Å; R675-R678 VanDerWaalsContact O-N 3.16Å; L676-R678 PolarHBondContact O-N 3.42Å; R678-I680 VanDerWaalsContact C-N 3.29Å; R678-L688 WeakPolarHBondContact CA-O 3.34Å; R678-L688 WeakPolarHBondContact CB-O 3.35Å; R678-L688 WeakPolarHBondContact CG-O 3.37Å; R678-I689 WeakPolarHBondContact CD-O 3.12Å; R678-I689 PolarHBondContact NH1-O 2.87Å; R678-I689 VanDerWaalsContact NH1-O 3.13Å
679	E	89.9	Confident	91.8	Very high	113 Å²	113	48.3 Å²	48.3	53%	0.528	22%	0.219	S	C	.	.	H	α-helix	trans	-76.5	-17.4	177.1	-68.7	171.9	-168.6	0	0	111.8	R675 L676 R681	R675-E679 IonicContact CZ-OE1 2.67Å; R675-E679 IonicContact NE-OE1 3.46Å; R675-E679 PolarHBondContact NE-OE1 3.06Å; R675-E679 IonicContact NH2-OE1 3.86Å; R675-E679 PolarHBondContact O-N 3.4Å; L676-E679 PolarHBondContact O-N 2.96Å; E679-R681 PolarHBondContact O-N 2.88Å
680	I	92	Very high	91.9	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	19%	0.186	C	C	.	.			trans	-72.3	114.4	173	-62.1	179.1	0	0	0	109.8	L677 R678 V685 Y739 C743 I745 Y769	L677-I680 HydrophobicContact CD2-CD1 4.12Å; R678-I680 VanDerWaalsContact C-N 3.29Å; I680-V685 HydrophobicContact CG2-CG1 4.09Å; I680-Y739 HydrophobicContact CG2-CD1 4.42Å; I680-Y739 HydrophobicContact CG2-CE1 3.66Å; I680-C743 HydrophobicContact CD1-CB 4.34Å; I680-I745 HydrophobicContact CD1-CD1 3.66Å; I680-I745 HydrophobicContact CD1-CG1 3.94Å; I680-I745 HydrophobicContact CD1-CG2 4.02Å; I680-Y769 HydrophobicContact CB-CE2 4.18Å; I680-Y769 HydrophobicContact CD1-CD2 4.2Å; I680-Y769 HydrophobicContact CD1-CE2 4Å; I680-Y769 HydrophobicContact CG2-CE2 4.08Å
681	R	91.3	Very high	92	Very high	178 Å²	178	40.8 Å²	40.8	67%	0.672	19%	0.186	S	C	*	.			trans	-138.4	116.8	-178.7	-69.2	-173	171.5	-150	-8.4	111.8	E679 Y739	E679-R681 PolarHBondContact O-N 2.88Å; R681-Y739 PolarHBondContact N-OH 3.2Å; R681-Y739 PolarHBondContact O-OH 2.8Å; R681-Y739 VanDerWaalsContact O-OH 3.04Å
682	N	93.6	Very high	92	Very high	55 Å²	55	40.1 Å²	40.1	29%	0.294	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-151.8	152.7	175.8	179.1	-91.2	0	0	0	109.9	N684 V685 Y739	N682-N684 PolarHBondContact O-N 3.16Å; N682-N684 PolarHBondContact OD1-N 3.24Å; N682-V685 HydrophobicContact CB-CB 4.21Å; N682-V685 HydrophobicContact CB-CG2 4.12Å; N682-V685 PolarHBondContact O-N 3.14Å; N682-V685 VanDerWaalsContact O-N 3.16Å; N682-V685 VanDerWaalsContact O-O 3.06Å; N682-Y739 HydrophobicContact CB-CD1 3.32Å; N682-Y739 HydrophobicContact CB-CD2 4.14Å; N682-Y739 HydrophobicContact CB-CE1 3.4Å; N682-Y739 HydrophobicContact CB-CE2 4.23Å; N682-Y739 HydrophobicContact CB-CG 3.7Å
683	E	92.9	Very high	91.8	Very high	131 Å²	131	39.1 Å²	39.1	61%	0.612	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.1	179.1	-179	172.4	-146.8	0	0	113	V763 K765	E683-V763 HydrophobicContact CG-CG1 4.02Å; E683-K765 WeakPolarHBondContact O-CE 3.47Å; E683-K765 WeakPolarHBondContact O-CG 3.5Å
684	N	95.8	Very high	91	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	19.4	-177.8	-59.3	115.2	0	0	0	114.2	N682 D732 K735 V763 V764 K765 I766	N682-N684 PolarHBondContact O-N 3.16Å; N682-N684 PolarHBondContact OD1-N 3.24Å; N684-D732 WeakPolarHBondContact CB-O 3.36Å; N684-D732 VanDerWaalsContact ND2-CB 3.3Å; N684-D732 WeakPolarHBondContact ND2-CB 3.45Å; N684-D732 PolarHBondContact ND2-OD2 3.46Å; N684-K735 HydrophobicContact CB-CB 4.31Å; N684-K735 WeakPolarHBondContact OD1-CB 3.34Å; N684-K735 WeakPolarHBondContact OD1-CD 3.44Å; N684-V763 WeakPolarHBondContact ND2-CG1 3.27Å; N684-V764 VanDerWaalsContact CA-O 3.26Å; N684-V764 WeakPolarHBondContact CA-O 3.36Å; N684-V764 WeakPolarHBondContact CB-O 3.41Å; N684-V764 PolarHBondContact ND2-O 2.81Å; N684-K765 WeakPolarHBondContact O-CA 3.41Å; N684-I766 PolarHBondContact O-N 2.98Å
685	V	96.3	Very high	89.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-129.5	127.6	174.9	178.5	0	0	0	0	108.8	I680 N682 P687 Y739 I740 Y769	I680-V685 HydrophobicContact CG2-CG1 4.09Å; N682-V685 HydrophobicContact CB-CB 4.21Å; N682-V685 HydrophobicContact CB-CG2 4.12Å; N682-V685 PolarHBondContact O-N 3.14Å; N682-V685 VanDerWaalsContact O-N 3.16Å; N682-V685 VanDerWaalsContact O-O 3.06Å; V685-P687 VanDerWaalsContact O-CD 3.26Å; V685-P687 WeakPolarHBondContact O-CD 3.47Å; V685-Y739 HydrophobicContact CG2-CD1 3.95Å; V685-I740 HydrophobicContact CG2-CD1 4.03Å; V685-I740 HydrophobicContact CG2-CG1 3.94Å; V685-Y769 HydrophobicContact CG1-CD1 3.69Å; V685-Y769 HydrophobicContact CG1-CE1 3.26Å; V685-Y769 HydrophobicContact CG1-CE2 4.42Å; V685-Y769 HydrophobicContact CG1-CG 4.44Å
686	N	95.6	Very high	88.7	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.027	22%	0.223	C	C	.	.			trans	-74.6	113.2	-172.4	-165.9	28.2	0	0	0	110.5	L688 D703 K765 I766 Y769	N686-L688 PolarHBondContact O-N 2.88Å; N686-D703 PolarHBondContact ND2-O 3.44Å; N686-D703 PolarHBondContact OD1-O 3.02Å; N686-K765 HydrophobicContact CB-CB 3.94Å; N686-I766 PolarHBondContact N-O 3Å; N686-Y769 VanDerWaalsContact O-CE1 3.31Å; N686-Y769 WeakPolarHBondContact O-CE1 3.44Å; N686-Y769 PolarHBondContact O-OH 3.43Å
687	P	93.8	Very high	87.8	Confident	33 Å²	33	43 Å²	43	21%	0.214	21%	0.211	C	C	.	.			trans	-59.7	130.3	-170.5	-26.4	36.5	0	0	0	113.3	V685 F702 D703	V685-P687 VanDerWaalsContact O-CD 3.26Å; V685-P687 WeakPolarHBondContact O-CD 3.47Å; P687-F702 WeakPolarHBondContact O-CA 3.3Å; P687-D703 WeakPolarHBondContact CD-OD2 3.25Å; P687-D703 WeakPolarHBondContact CG-OD2 3.25Å; P687-D703 PolarHBondContact O-N 3.04Å; P687-D703 VanDerWaalsContact O-N 3.16Å
688	L	94.1	Very high	87.3	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.1	168.3	-174	75.9	0	0	0	109.7	V674 L677 R678 N686 L700 V701 F702 Y769	V674-L688 HydrophobicContact CG1-CD2 4.07Å; L677-L688 HydrophobicContact CB-CD2 3.46Å; L677-L688 VanDerWaalsContact CB-CD2 3.46Å; L677-L688 HydrophobicContact CD1-CD2 4.14Å; L677-L688 HydrophobicContact CG-CD2 4.47Å; R678-L688 WeakPolarHBondContact CA-O 3.34Å; R678-L688 WeakPolarHBondContact CB-O 3.35Å; R678-L688 WeakPolarHBondContact CG-O 3.37Å; N686-L688 PolarHBondContact O-N 2.88Å; L688-L700 HydrophobicContact CD1-CB 3.97Å; L688-L700 HydrophobicContact CD1-CD2 4.37Å; L688-V701 WeakPolarHBondContact CD1-O 3.34Å; L688-F702 HydrophobicContact CB-CD1 4.13Å; L688-F702 HydrophobicContact CB-CE1 4.03Å; L688-F702 HydrophobicContact CD1-CD1 3.83Å; L688-F702 HydrophobicContact CD1-CD2 4.12Å; L688-F702 HydrophobicContact CD1-CE1 3.58Å; L688-F702 HydrophobicContact CD1-CE2 3.89Å; L688-F702 HydrophobicContact CD1-CG 4.1Å; L688-F702 HydrophobicContact CD1-CZ 3.62Å; L688-F702 HydrophobicContact CG-CE1 4.39Å; L688-Y769 PolarHBondContact N-OH 3.24Å
689	I	91.4	Very high	87.2	Confident	29 Å²	29	40.8 Å²	40.8	15%	0.149	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-41.7	178.2	-61.8	172.2	0	0	0	110.3	L577 Y649 I654 R678 V701	L577-I689 HydrophobicContact CD1-CG2 4.4Å; Y649-I689 HydrophobicContact CD1-CG2 4.19Å; Y649-I689 HydrophobicContact CE1-CG2 3.95Å; I654-I689 HydrophobicContact CB-CD1 4.26Å; I654-I689 HydrophobicContact CG2-CD1 3.32Å; R678-I689 WeakPolarHBondContact CD-O 3.12Å; R678-I689 PolarHBondContact NH1-O 2.87Å; R678-I689 VanDerWaalsContact NH1-O 3.13Å; I689-V701 HydrophobicContact CB-CB 4.46Å; I689-V701 HydrophobicContact CB-CG1 4.26Å; I689-V701 HydrophobicContact CD1-CG1 4.21Å; I689-V701 PolarHBondContact N-O 3.48Å
690	G	91	Very high	87.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-152.9	-179.5	0	0	0	0	0	112.8	L575 V701	L575-G690 WeakPolarHBondContact O-CA 3.23Å; G690-V701 PolarHBondContact N-O 3.25Å; G690-V701 PolarHBondContact O-N 3.4Å
691	C	91.1	Very high	87.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142	171.2	59.4	0	0	0	0	110.8	L575 I576 L577 F670 V674 L698 C699 L700	L575-C691 PolarHBondContact O-N 3.33Å; I576-C691 CarbonylContact C-O 3.46Å; I576-C691 WeakPolarHBondContact CA-O 3.31Å; L577-C691 PolarHBondContact N-O 3.31Å; F670-C691 HydrophobicContact CE1-CB 4.01Å; F670-C691 HydrophobicContact CZ-CB 4.04Å; V674-C691 HydrophobicContact CG1-CB 4.45Å; C691-L698 HydrophobicContact CB-CD1 4.41Å; C691-C699 CarbonylContact C-O 3.57Å; C691-C699 WeakPolarHBondContact CA-O 3.48Å; C691-C699 VanDerWaalsContact CB-O 3.3Å; C691-C699 WeakPolarHBondContact CB-O 3.31Å; C691-L700 HydrophobicContact CB-CD2 4.4Å
692	Y	88.4	Confident	87.5	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	171.2	173.2	-87.8	0	0	0	108.8	L577 Y578 V582 F584 I641 I656 D694 C699	L577-Y692 HydrophobicContact CB-CD2 4.05Å; L577-Y692 WeakPolarHBondContact O-CA 3.13Å; Y578-Y692 WeakPolarHBondContact O-CE2 3.31Å; V582-Y692 HydrophobicContact CB-CE2 4.17Å; V582-Y692 HydrophobicContact CG2-CD2 3.98Å; V582-Y692 HydrophobicContact CG2-CE2 4.04Å; F584-Y692 HydrophobicContact CZ-CE1 4.43Å; I641-Y692 HydrophobicContact CD1-CD1 4.48Å; I641-Y692 HydrophobicContact CD1-CE1 3.7Å; I656-Y692 HydrophobicContact CD1-CD2 4.46Å; I656-Y692 HydrophobicContact CD1-CG 4.49Å; I656-Y692 HydrophobicContact CG2-CD1 4.31Å; I656-Y692 HydrophobicContact CG2-CG 4.49Å; Y692-D694 HydrophobicContact CD1-CB 4.39Å; Y692-D694 HydrophobicContact CE1-CB 3.63Å; Y692-C699 HydrophobicContact CD1-CB 4.19Å; Y692-C699 PolarHBondContact N-O 2.85Å; Y692-C699 PolarHBondContact O-N 2.87Å
693	V	82.7	Confident	87.5	Confident	37 Å²	37	26.7 Å²	26.7	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.2	-174.1	-178.3	0	0	0	0	108.9	I576 L577 L666 L698	I576-V693 HydrophobicContact CG2-CB 4.18Å; I576-V693 HydrophobicContact CG2-CG2 3.7Å; L577-V693 PolarHBondContact O-N 3.13Å; L666-V693 HydrophobicContact CD1-CG2 3.66Å; V693-L698 HydrophobicContact CG2-CD1 3.85Å
694	D	73.7	Confident	87.5	Confident	24 Å²	24	23 Å²	23	13%	0.128	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	165.1	176.8	-178.7	31.6	0	0	0	110	Y692 S696 A697	Y692-D694 HydrophobicContact CD1-CB 4.39Å; Y692-D694 HydrophobicContact CE1-CB 3.63Å; D694-S696 PolarHBondContact O-N 3.07Å; D694-A697 PolarHBondContact N-O 3.49Å; D694-A697 VanDerWaalsContact N-O 3.07Å; D694-A697 PolarHBondContact O-N 2.84Å; D694-A697 VanDerWaalsContact O-N 3.13Å
695	I	66.8	Low	87.3	Confident	166 Å²	166	23.5 Å²	23.5	85%	0.851	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.8	-171.9	-56.7	173.4	0	0	0	111.8
696	S	66	Low	86.9	Confident	60 Å²	60	27.1 Å²	27.1	42%	0.42	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-0	-176.4	79.1	0	0	0	0	115.4	R658 D694	R658-S696 PolarHBondContact NH2-O 2.94Å; R658-S696 PolarHBondContact NH2-OG 3.38Å; D694-S696 PolarHBondContact O-N 3.07Å
697	A	72.3	Confident	86.6	Confident	5 Å²	5	32.1 Å²	32.1	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	138.8	-167.3	0	0	0	0	0	115.3	R658 D694	R658-A697 HydrophobicContact CG-CB 4.16Å; D694-A697 PolarHBondContact N-O 3.49Å; D694-A697 VanDerWaalsContact N-O 3.07Å; D694-A697 PolarHBondContact O-N 2.84Å; D694-A697 VanDerWaalsContact O-N 3.13Å
698	L	84.5	Confident	86.4	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.1	160.4	-175.9	59.2	0	0	0	108.6	L659 L661 L666 F670 C691 V693 Y778	L659-L698 VanDerWaalsContact CB-O 3.28Å; L659-L698 WeakPolarHBondContact CB-O 3.33Å; L659-L698 HydrophobicContact CD1-CG 4.36Å; L659-L698 PolarHBondContact N-O 3.25Å; L661-L698 HydrophobicContact CD1-CD2 4.08Å; L666-L698 HydrophobicContact CD1-CD1 3.7Å; F670-L698 HydrophobicContact CD1-CD2 4.28Å; F670-L698 HydrophobicContact CE1-CD1 3.86Å; F670-L698 HydrophobicContact CE1-CD2 3.83Å; F670-L698 HydrophobicContact CE1-CG 4.23Å; F670-L698 HydrophobicContact CE2-CD2 4.07Å; F670-L698 HydrophobicContact CZ-CD1 4Å; F670-L698 HydrophobicContact CZ-CD2 3.7Å; F670-L698 HydrophobicContact CZ-CG 3.98Å; C691-L698 HydrophobicContact CB-CD1 4.41Å; V693-L698 HydrophobicContact CG2-CD1 3.85Å; L698-Y778 HydrophobicContact CD2-CE2 4.28Å
699	C	88.8	Confident	86.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152	-177	-60.8	0	0	0	0	111.2	I656 K657 C691 Y692	I656-C699 HydrophobicContact CG2-CB 3.61Å; K657-C699 CarbonylContact O-C 3.53Å; K657-C699 WeakPolarHBondContact O-CA 3.36Å; K657-C699 WeakPolarHBondContact O-CB 3.4Å; C691-C699 CarbonylContact C-O 3.57Å; C691-C699 WeakPolarHBondContact CA-O 3.48Å; C691-C699 VanDerWaalsContact CB-O 3.3Å; C691-C699 WeakPolarHBondContact CB-O 3.31Å; Y692-C699 HydrophobicContact CD1-CB 4.19Å; Y692-C699 PolarHBondContact N-O 2.85Å; Y692-C699 PolarHBondContact O-N 2.87Å
700	L	91.8	Very high	86.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.9	165.1	-65.5	-177.6	0	0	0	109.9	K657 L659 F670 V674 L688 C691 F702 L771 I774	K657-L700 PolarHBondContact N-O 3.35Å; K657-L700 PolarHBondContact O-N 3.42Å; L659-L700 HydrophobicContact CD1-CD2 4.38Å; L659-L700 HydrophobicContact CD1-CG 4.03Å; L659-L700 HydrophobicContact CD2-CD1 4.16Å; L659-L700 HydrophobicContact CD2-CG 4.15Å; L659-L700 HydrophobicContact CG-CG 4.26Å; F670-L700 HydrophobicContact CE2-CD2 4.31Å; F670-L700 HydrophobicContact CZ-CD2 4.07Å; V674-L700 HydrophobicContact CG2-CD2 4.04Å; L688-L700 HydrophobicContact CD1-CB 3.97Å; L688-L700 HydrophobicContact CD1-CD2 4.37Å; C691-L700 HydrophobicContact CB-CD2 4.4Å; L700-F702 HydrophobicContact CB-CD2 4.35Å; L700-F702 HydrophobicContact CB-CE2 3.77Å; L700-F702 HydrophobicContact CB-CZ 4.47Å; L700-F702 HydrophobicContact CD1-CE2 4.22Å; L700-F702 HydrophobicContact CD1-CZ 4.27Å; L700-L771 HydrophobicContact CD1-CD2 3.61Å; L700-I774 HydrophobicContact CD1-CD1 3.88Å; L700-I774 HydrophobicContact CD2-CD1 4.35Å
701	V	92.7	Very high	86.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.9	-178.5	-173.4	0	0	0	0	109.8	L577 I654 Y655 I656 L688 I689 G690	L577-V701 HydrophobicContact CD1-CB 4.37Å; L577-V701 HydrophobicContact CD1-CG1 4.2Å; L577-V701 HydrophobicContact CD1-CG2 4.17Å; I654-V701 HydrophobicContact CB-CG1 3.87Å; I654-V701 HydrophobicContact CD1-CG1 3.54Å; I654-V701 HydrophobicContact CG1-CG1 4.24Å; I654-V701 HydrophobicContact CG2-CG1 4.36Å; Y655-V701 WeakPolarHBondContact O-CA 3.47Å; I656-V701 HydrophobicContact CG1-CG1 4.34Å; I656-V701 HydrophobicContact CG1-CG2 4.13Å; L688-V701 WeakPolarHBondContact CD1-O 3.34Å; I689-V701 HydrophobicContact CB-CB 4.46Å; I689-V701 HydrophobicContact CB-CG1 4.26Å; I689-V701 HydrophobicContact CD1-CG1 4.21Å; I689-V701 PolarHBondContact N-O 3.48Å; G690-V701 PolarHBondContact N-O 3.25Å; G690-V701 PolarHBondContact O-N 3.4Å
702	F	94.3	Very high	86.7	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	164.7	178.3	-64	-91	0	0	0	110.7	I654 Y655 P687 L688 L700 Y769	I654-F702 WeakPolarHBondContact CA-O 3.5Å; Y655-F702 PolarHBondContact N-O 3.03Å; Y655-F702 PolarHBondContact O-N 2.9Å; P687-F702 WeakPolarHBondContact O-CA 3.3Å; L688-F702 HydrophobicContact CB-CD1 4.13Å; L688-F702 HydrophobicContact CB-CE1 4.03Å; L688-F702 HydrophobicContact CD1-CD1 3.83Å; L688-F702 HydrophobicContact CD1-CD2 4.12Å; L688-F702 HydrophobicContact CD1-CE1 3.58Å; L688-F702 HydrophobicContact CD1-CE2 3.89Å; L688-F702 HydrophobicContact CD1-CG 4.1Å; L688-F702 HydrophobicContact CD1-CZ 3.62Å; L688-F702 HydrophobicContact CG-CE1 4.39Å; L700-F702 HydrophobicContact CB-CD2 4.35Å; L700-F702 HydrophobicContact CB-CE2 3.77Å; L700-F702 HydrophobicContact CB-CZ 4.47Å; L700-F702 HydrophobicContact CD1-CE2 4.22Å; L700-F702 HydrophobicContact CD1-CZ 4.27Å; F702-Y769 HydrophobicContact CE1-CE1 4.16Å
703	D	93	Very high	86.8	Confident	54 Å²	54	37.3 Å²	37.3	29%	0.289	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	143.1	165.4	-76	-21.4	0	0	0	111.2	N686 P687 C705	N686-D703 PolarHBondContact ND2-O 3.44Å; N686-D703 PolarHBondContact OD1-O 3.02Å; P687-D703 WeakPolarHBondContact CD-OD2 3.25Å; P687-D703 WeakPolarHBondContact CG-OD2 3.25Å; P687-D703 PolarHBondContact O-N 3.04Å; P687-D703 VanDerWaalsContact O-N 3.16Å; D703-C705 PolarHBondContact O-N 3.19Å
704	H	93.1	Very high	87.1	Confident	53 Å²	53	36.1 Å²	36.1	25%	0.245	19%	0.194	C	C	.	.			trans	-83.4	113.2	-179.7	-179.3	-97.7	0	0	0	112.6	L653 T706	L653-H704 HydrophobicContact CB-CB 3.78Å; L653-H704 VanDerWaalsContact O-CB 3.26Å; L653-H704 WeakPolarHBondContact O-CB 3.26Å; L653-H704 PolarHBondContact O-N 2.73Å; L653-H704 VanDerWaalsContact O-N 3.1Å; H704-T706 PolarHBondContact O-N 3.02Å
705	C	92.2	Very high	87.8	Confident	13 Å²	13	42.8 Å²	42.8	9%	0.088	22%	0.222	C	C	.	.			trans	-83.3	102.6	174.6	-72.1	0	0	0	0	111.3	D703 R707 G708 C757 V758	D703-C705 PolarHBondContact O-N 3.19Å; C705-R707 VanDerWaalsContact C-N 3.28Å; C705-R707 PolarHBondContact O-N 3.03Å; C705-R707 VanDerWaalsContact O-N 3.14Å; C705-G708 PolarHBondContact O-N 2.81Å; C705-C757 HydrophobicContact CB-CB 3.48Å; C705-C757 VanDerWaalsContact CB-CB 3.48Å; C705-C757 VanDerWaalsContact SG-CB 3.59Å; C705-V758 CarbonylContact C-O 3.57Å; C705-V758 WeakPolarHBondContact CB-O 3.14Å
706	T	88.6	Confident	88.7	Confident	76 Å²	76	39.4 Å²	39.4	47%	0.466	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.3	-166.4	53.6	0	0	0	0	116.6	H704 G760	H704-T706 PolarHBondContact O-N 3.02Å; T706-G760 WeakPolarHBondContact OG1-CA 3.49Å; T706-G760 PolarHBondContact OG1-N 2.91Å
707	R	87.6	Confident	89.3	Confident	111 Å²	111	43.2 Å²	43.2	42%	0.419	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.9	177.4	-56.8	-63	-175.1	-176.7	-1.1	113.7	C705 I713 V758 D759	C705-R707 VanDerWaalsContact C-N 3.28Å; C705-R707 PolarHBondContact O-N 3.03Å; C705-R707 VanDerWaalsContact O-N 3.14Å; R707-I713 HydrophobicContact CB-CD1 4.08Å; R707-V758 HydrophobicContact CB-CB 4.07Å; R707-V758 HydrophobicContact CB-CG1 4.07Å; R707-V758 WeakPolarHBondContact CB-O 3.47Å; R707-V758 HydrophobicContact CG-CG1 4.26Å; R707-V758 PolarHBondContact N-O 3.28Å; R707-D759 VanDerWaalsContact CG-O 3.28Å; R707-D759 WeakPolarHBondContact CG-O 3.12Å
708	G	90.8	Very high	89.6	Confident	25 Å²	25	48.6 Å²	48.6	26%	0.258	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-158	-174.8	0	0	0	0	0	112.7	C705 C757 V758	C705-G708 PolarHBondContact O-N 2.81Å; G708-C757 CarbonylContact O-C 3.58Å; G708-C757 WeakPolarHBondContact O-CA 3.17Å; G708-V758 PolarHBondContact O-N 3.11Å
709	S	94	Very high	89.3	Confident	11 Å²	11	50 Å²	50	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	166	174.3	71.2	0	0	0	0	112.6	K711 D712 I713 T754 C756	S709-K711 PolarHBondContact O-N 2.91Å; S709-K711 PolarHBondContact OG-N 3.44Å; S709-D712 WeakPolarHBondContact CB-OD2 3.07Å; S709-D712 PolarHBondContact N-OD2 3.31Å; S709-D712 WeakPolarHBondContact O-CB 3.39Å; S709-D712 PolarHBondContact O-N 2.93Å; S709-D712 VanDerWaalsContact OG-CG 3.3Å; S709-D712 PolarHBondContact OG-N 3.23Å; S709-D712 PolarHBondContact OG-OD2 3.12Å; S709-I713 PolarHBondContact O-N 2.88Å; S709-T754 WeakPolarHBondContact CB-O 3.48Å; S709-C756 CarbonylContact C-O 3.49Å; S709-C756 WeakPolarHBondContact CA-O 3.21Å
710	L	94.2	Very high	88.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-35.7	170.5	-75.8	-177.4	0	0	0	111.3	D712 I713 I714 L729 V733 S753 C756 V758 V764 V818 I822	L710-D712 VanDerWaalsContact C-N 3.28Å; L710-D712 PolarHBondContact O-N 2.99Å; L710-I713 PolarHBondContact O-N 3.36Å; L710-I714 WeakPolarHBondContact O-CB 3.11Å; L710-I714 WeakPolarHBondContact O-CD1 3.29Å; L710-I714 VanDerWaalsContact O-CG1 3.24Å; L710-I714 WeakPolarHBondContact O-CG1 3.35Å; L710-I714 PolarHBondContact O-N 3.01Å; L710-L729 HydrophobicContact CD2-CB 4.38Å; L710-L729 HydrophobicContact CD2-CD1 4.1Å; L710-L729 HydrophobicContact CD2-CD2 4.04Å; L710-L729 HydrophobicContact CD2-CG 4.4Å; L710-V733 HydrophobicContact CD1-CG2 3.94Å; L710-S753 PolarHBondContact N-O 2.69Å; L710-C756 HydrophobicContact CB-CB 4.36Å; L710-C756 HydrophobicContact CD1-CB 3.49Å; L710-C756 VanDerWaalsContact CD1-CB 3.49Å; L710-C756 HydrophobicContact CG-CB 3.76Å; L710-C756 PolarHBondContact N-O 3.11Å; L710-V758 HydrophobicContact CD2-CG2 3.75Å; L710-V758 HydrophobicContact CG-CG2 4.4Å; L710-V764 HydrophobicContact CD1-CG1 4.14Å; L710-V764 HydrophobicContact CD2-CG1 4.44Å; L710-V764 HydrophobicContact CD2-CG2 4.11Å; L710-V764 HydrophobicContact CG-CG1 4.23Å; L710-V818 HydrophobicContact CD1-CG1 4.14Å; L710-I822 HydrophobicContact CD1-CD1 3.99Å; L710-I822 HydrophobicContact CD1-CG1 4.45Å
711	K	92.9	Very high	88.4	Confident	63 Å²	63	56.1 Å²	56.1	27%	0.274	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-38.9	174.2	-174.6	168.2	-177.4	162.7	0	112.1	S709 K715 T754 E827	S709-K711 PolarHBondContact O-N 2.91Å; S709-K711 PolarHBondContact OG-N 3.44Å; K711-K715 WeakPolarHBondContact O-CB 3.43Å; K711-K715 PolarHBondContact O-N 3.39Å; K711-T754 HydrophobicContact CB-CG2 4.34Å; K711-T754 HydrophobicContact CD-CG2 4.12Å; K711-E827 WeakPolarHBondContact CE-OE1 3.3Å; K711-E827 IonicContact NZ-OE1 3.85Å; K711-E827 PolarHBondContact NZ-OE1 2.97Å
712	D	91.8	Very high	88	Confident	78 Å²	78	57.9 Å²	57.9	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-73.1	-27.1	179.3	-56.2	-57.3	0	0	0	113.2	S709 L710 K716	S709-D712 WeakPolarHBondContact CB-OD2 3.07Å; S709-D712 PolarHBondContact N-OD2 3.31Å; S709-D712 WeakPolarHBondContact O-CB 3.39Å; S709-D712 PolarHBondContact O-N 2.93Å; S709-D712 VanDerWaalsContact OG-CG 3.3Å; S709-D712 PolarHBondContact OG-N 3.23Å; S709-D712 PolarHBondContact OG-OD2 3.12Å; L710-D712 VanDerWaalsContact C-N 3.28Å; L710-D712 PolarHBondContact O-N 2.99Å; D712-K716 VanDerWaalsContact O-CD 3.29Å; D712-K716 WeakPolarHBondContact O-CD 3.35Å; D712-K716 WeakPolarHBondContact O-CE 3.38Å; D712-K716 VanDerWaalsContact O-CG 3.29Å; D712-K716 WeakPolarHBondContact O-CG 3.22Å
713	I	90.5	Very high	87.6	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-80.2	-44.6	175.6	-73	166.2	0	0	0	110.9	R707 S709 L710 K715 K716 I719 L721 V758 W762	R707-I713 HydrophobicContact CB-CD1 4.08Å; S709-I713 PolarHBondContact O-N 2.88Å; L710-I713 PolarHBondContact O-N 3.36Å; I713-K715 VanDerWaalsContact C-N 3.27Å; I713-K715 PolarHBondContact O-N 3.41Å; I713-K716 PolarHBondContact O-N 2.94Å; I713-K716 VanDerWaalsContact O-N 3.08Å; I713-I719 HydrophobicContact CG1-CD1 4.39Å; I713-I719 HydrophobicContact CG2-CD1 4.1Å; I713-L721 HydrophobicContact CG2-CD1 4.2Å; I713-L721 HydrophobicContact CG2-CD2 4.15Å; I713-V758 HydrophobicContact CD1-CB 3.51Å; I713-V758 HydrophobicContact CD1-CG1 3.82Å; I713-V758 HydrophobicContact CD1-CG2 3.49Å; I713-V758 VanDerWaalsContact CD1-CG2 3.49Å; I713-W762 HydrophobicContact CD1-CE3 4.36Å; I713-W762 HydrophobicContact CD1-CZ3 4.01Å; I713-W762 HydrophobicContact CG1-CZ3 4.37Å; I713-W762 HydrophobicContact CG2-CZ3 4.33Å
714	I	90.6	Very high	87.2	Confident	12 Å²	12	64 Å²	64	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-55.7	-45.7	178.5	-74.1	163.3	0	0	0	110.6	L710 K716 E821 I822 R825	L710-I714 WeakPolarHBondContact O-CB 3.11Å; L710-I714 WeakPolarHBondContact O-CD1 3.29Å; L710-I714 VanDerWaalsContact O-CG1 3.24Å; L710-I714 WeakPolarHBondContact O-CG1 3.35Å; L710-I714 PolarHBondContact O-N 3.01Å; I714-K716 PolarHBondContact O-N 2.69Å; I714-E821 HydrophobicContact CD1-CB 3.92Å; I714-I822 HydrophobicContact CD1-CG1 4.09Å; I714-R825 HydrophobicContact CG2-CB 4.24Å; I714-R825 PolarHBondContact O-NE 2.9Å; I714-R825 PolarHBondContact O-NH2 3.03Å
715	K	87.8	Confident	86.8	Confident	164 Å²	164	62.2 Å²	62.2	71%	0.713	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-8	179.5	-172.8	166.6	-178.6	172.4	0	115.3	K711 I713	K711-K715 WeakPolarHBondContact O-CB 3.43Å; K711-K715 PolarHBondContact O-N 3.39Å; I713-K715 VanDerWaalsContact C-N 3.27Å; I713-K715 PolarHBondContact O-N 3.41Å
716	K	84.9	Confident	86.7	Confident	95 Å²	95	62.9 Å²	62.9	41%	0.413	32%	0.32	S	S	.	.			trans	-97.3	97.5	179.6	-78.3	169.8	-173.6	167.2	0	110.9	D712 I713 I714 S718 I719 R825	D712-K716 VanDerWaalsContact O-CD 3.29Å; D712-K716 WeakPolarHBondContact O-CD 3.35Å; D712-K716 WeakPolarHBondContact O-CE 3.38Å; D712-K716 VanDerWaalsContact O-CG 3.29Å; D712-K716 WeakPolarHBondContact O-CG 3.22Å; I713-K716 PolarHBondContact O-N 2.94Å; I713-K716 VanDerWaalsContact O-N 3.08Å; I714-K716 PolarHBondContact O-N 2.69Å; K716-S718 PolarHBondContact O-N 2.94Å; K716-I719 HydrophobicContact CB-CD1 3.8Å; K716-I719 HydrophobicContact CB-CG1 4.15Å; K716-I719 HydrophobicContact CD-CD1 3.91Å; K716-I719 PolarHBondContact O-N 2.92Å; K716-R825 PolarHBondContact O-NH2 3.31Å
717	D	79.9	Confident	86.8	Confident	140 Å²	140	59.6 Å²	59.6	75%	0.749	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.5	179.6	-58.9	-35.7	0	0	0	113.5	I719	D717-I719 PolarHBondContact O-N 3.29Å
718	S	77.9	Confident	86.9	Confident	118 Å²	118	54.6 Å²	54.6	83%	0.825	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.3	175.4	57.8	0	0	0	0	114.6	K716	K716-S718 PolarHBondContact O-N 2.94Å
719	I	77.8	Confident	86.9	Confident	32 Å²	32	53.4 Å²	53.4	16%	0.164	27%	0.27	C	S	.	.	S	Bend	trans	-93.3	111.7	172.7	-57	167.6	0	0	0	107.3	I713 K716 D717 L721 W762 R825	I713-I719 HydrophobicContact CG1-CD1 4.39Å; I713-I719 HydrophobicContact CG2-CD1 4.1Å; K716-I719 HydrophobicContact CB-CD1 3.8Å; K716-I719 HydrophobicContact CB-CG1 4.15Å; K716-I719 HydrophobicContact CD-CD1 3.91Å; K716-I719 PolarHBondContact O-N 2.92Å; D717-I719 PolarHBondContact O-N 3.29Å; I719-L721 HydrophobicContact CG2-CD2 3.75Å; I719-L721 HydrophobicContact CG2-CG 4.15Å; I719-L721 PolarHBondContact O-N 3.48Å; I719-W762 HydrophobicContact CD1-CH2 3.85Å; I719-W762 HydrophobicContact CD1-CZ3 4.31Å; I719-W762 HydrophobicContact CG1-CH2 4.25Å; I719-W762 HydrophobicContact CG2-CH2 3.95Å; I719-W762 HydrophobicContact CG2-CZ3 4.32Å; I719-R825 PolarHBondContact O-NH1 3.08Å; I719-R825 PolarHBondContact O-NH2 3.42Å
720	N	79.3	Confident	86.9	Confident	123 Å²	123	52.9 Å²	52.9	66%	0.658	27%	0.266	S	S	*	.			trans	-76.3	103	174.5	-170.3	13	0	0	0	110.2	D722	N720-D722 PolarHBondContact O-N 3.3Å
721	L	82.3	Confident	86.8	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	27%	0.272	C	S	.	.			trans	-92.8	85	176.9	-62	176.3	0	0	0	109.4	I713 I719 F725 K726 L729 R825	I713-L721 HydrophobicContact CG2-CD1 4.2Å; I713-L721 HydrophobicContact CG2-CD2 4.15Å; I719-L721 HydrophobicContact CG2-CD2 3.75Å; I719-L721 HydrophobicContact CG2-CG 4.15Å; I719-L721 PolarHBondContact O-N 3.48Å; L721-F725 HydrophobicContact CD2-CD1 3.42Å; L721-F725 VanDerWaalsContact CD2-CD1 3.42Å; L721-F725 HydrophobicContact CD2-CE1 3.66Å; L721-F725 HydrophobicContact CD2-CG 4.13Å; L721-K726 HydrophobicContact CB-CG 4.19Å; L721-K726 VanDerWaalsContact O-CE 3.23Å; L721-K726 WeakPolarHBondContact O-CE 3.31Å; L721-L729 HydrophobicContact CD2-CD1 4.29Å; L721-R825 HydrophobicContact CD1-CG 4.45Å
722	D	84.4	Confident	86.9	Confident	38 Å²	38	51.3 Å²	51.3	20%	0.203	26%	0.261	C	S	.	.			trans	-68.7	178.4	170.4	65.6	50.3	0	0	0	112.2	N720 E724 F725 K726 H902	N720-D722 PolarHBondContact O-N 3.3Å; D722-E724 PolarHBondContact O-N 3.05Å; D722-E724 WeakPolarHBondContact OD1-CA 3.4Å; D722-E724 PolarHBondContact OD1-N 3.48Å; D722-F725 PolarHBondContact O-N 3.44Å; D722-F725 PolarHBondContact OD1-N 3.01Å; D722-K726 WeakPolarHBondContact O-CB 3.41Å; D722-K726 VanDerWaalsContact O-CG 3.26Å; D722-K726 WeakPolarHBondContact O-CG 3.42Å; D722-K726 PolarHBondContact O-N 3.44Å; D722-H902 IonicContact OD2-CE1 3.08Å; D722-H902 PolarHBondContact OD2-CE1 2.9Å; D722-H902 IonicContact OD2-ND1 2.72Å; D722-H902 IonicContact OD2-NE2 3.64Å
723	W	87.1	Confident	87.1	Confident	63 Å²	63	47.7 Å²	47.7	24%	0.239	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-37.5	-178.3	179.7	-105.6	0	0	0	113.5	K726 L727 I823 A859 P860 Y863	W723-K726 PolarHBondContact O-N 3.14Å; W723-L727 HydrophobicContact CZ2-CB 4.45Å; W723-L727 HydrophobicContact CZ2-CD1 4.47Å; W723-L727 HydrophobicContact CZ2-CD2 4.42Å; W723-L727 WeakPolarHBondContact O-CB 3.38Å; W723-L727 PolarHBondContact O-N 3.21Å; W723-I823 HydrophobicContact CZ3-CD1 4.47Å; W723-I823 HydrophobicContact CZ3-CG1 4.18Å; W723-A859 HydrophobicContact CE3-CB 4.19Å; W723-A859 HydrophobicContact CH2-CB 3.67Å; W723-A859 HydrophobicContact CZ3-CB 3.34Å; W723-P860 HydrophobicContact CD2-CG 4.37Å; W723-P860 VanDerWaalsContact CE2-CD 3.43Å; W723-P860 VanDerWaalsContact CZ2-CD 3.42Å; W723-P860 HydrophobicContact CZ2-CG 4.1Å; W723-Y863 HydrophobicContact CH2-CD1 4.02Å; W723-Y863 HydrophobicContact CH2-CD2 4.17Å; W723-Y863 AromaticContact CH2-CG 3.78Å; W723-Y863 HydrophobicContact CH2-CG 3.78Å; W723-Y863 AromaticContact CZ2-CD1 3.65Å; W723-Y863 HydrophobicContact CZ2-CD1 3.65Å; W723-Y863 AromaticContact CZ2-CD2 3.59Å; W723-Y863 HydrophobicContact CZ2-CD2 3.59Å; W723-Y863 AromaticContact CZ2-CE1 3.86Å; W723-Y863 HydrophobicContact CZ2-CE1 3.86Å; W723-Y863 AromaticContact CZ2-CE2 3.78Å; W723-Y863 HydrophobicContact CZ2-CE2 3.78Å; W723-Y863 AromaticContact CZ2-CG 3.54Å; W723-Y863 HydrophobicContact CZ2-CG 3.54Å; W723-Y863 AromaticContact CZ2-CZ 3.9Å
724	E	83.8	Confident	87.3	Confident	122 Å²	122	47.6 Å²	47.6	57%	0.57	24%	0.242	S	C	*	.	H	α-helix	trans	-69.1	-39.6	-179.6	-59.7	-166.8	156.5	0	0	110.5	D722 L727 S728 I897	D722-E724 PolarHBondContact O-N 3.05Å; D722-E724 WeakPolarHBondContact OD1-CA 3.4Å; D722-E724 PolarHBondContact OD1-N 3.48Å; E724-L727 PolarHBondContact O-N 3.48Å; E724-S728 PolarHBondContact O-N 3.36Å; E724-I897 HydrophobicContact CB-CG2 4.42Å
725	F	85.1	Confident	87.5	Confident	15 Å²	15	50 Å²	50	7%	0.066	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-45.5	173.4	-153.5	-65.5	0	0	0	112.1	L721 D722 L727 S728 L729 W762 I899	L721-F725 HydrophobicContact CD2-CD1 3.42Å; L721-F725 VanDerWaalsContact CD2-CD1 3.42Å; L721-F725 HydrophobicContact CD2-CE1 3.66Å; L721-F725 HydrophobicContact CD2-CG 4.13Å; D722-F725 PolarHBondContact O-N 3.44Å; D722-F725 PolarHBondContact OD1-N 3.01Å; F725-L727 VanDerWaalsContact C-N 3.27Å; F725-L727 PolarHBondContact O-N 3.43Å; F725-S728 PolarHBondContact O-N 3.34Å; F725-S728 PolarHBondContact O-OG 3.39Å; F725-L729 HydrophobicContact CD1-CD1 3.89Å; F725-L729 HydrophobicContact CD1-CG 4.07Å; F725-L729 HydrophobicContact CE1-CD1 3.98Å; F725-L729 HydrophobicContact CE1-CD2 4.13Å; F725-L729 HydrophobicContact CE1-CG 4.13Å; F725-L729 WeakPolarHBondContact O-CG 3.48Å; F725-L729 PolarHBondContact O-N 3.49Å; F725-W762 HydrophobicContact CE1-CE3 4.04Å; F725-W762 HydrophobicContact CE1-CZ3 4.3Å; F725-W762 HydrophobicContact CZ-CB 4.45Å; F725-W762 AromaticContact CZ-CD2 3.82Å; F725-W762 HydrophobicContact CZ-CD2 3.82Å; F725-W762 AromaticContact CZ-CE3 3.54Å; F725-W762 HydrophobicContact CZ-CE3 3.54Å; F725-W762 HydrophobicContact CZ-CG 4.26Å; F725-W762 HydrophobicContact CZ-CH2 4.46Å; F725-W762 AromaticContact CZ-CZ3 3.89Å; F725-W762 HydrophobicContact CZ-CZ3 3.89Å; F725-I899 HydrophobicContact CD2-CG2 3.73Å; F725-I899 HydrophobicContact CE2-CG2 3.35Å; F725-I899 HydrophobicContact CZ-CG2 3.91Å
726	K	90.2	Very high	87.9	Confident	26 Å²	26	42.1 Å²	42.1	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-42.8	174.2	-76	174	177	-178.5	0	111.3	L721 D722 W723 L729 I730 I822 I823	L721-K726 HydrophobicContact CB-CG 4.19Å; L721-K726 VanDerWaalsContact O-CE 3.23Å; L721-K726 WeakPolarHBondContact O-CE 3.31Å; D722-K726 WeakPolarHBondContact O-CB 3.41Å; D722-K726 VanDerWaalsContact O-CG 3.26Å; D722-K726 WeakPolarHBondContact O-CG 3.42Å; D722-K726 PolarHBondContact O-N 3.44Å; W723-K726 PolarHBondContact O-N 3.14Å; K726-L729 PolarHBondContact O-N 3.46Å; K726-I730 WeakPolarHBondContact O-CD1 3.47Å; K726-I730 VanDerWaalsContact O-CG1 3.27Å; K726-I730 WeakPolarHBondContact O-CG1 3.45Å; K726-I730 PolarHBondContact O-N 3.25Å; K726-I822 HydrophobicContact CB-CG2 3.84Å; K726-I822 WeakPolarHBondContact CD-O 3.17Å; K726-I822 VanDerWaalsContact CE-O 3.24Å; K726-I822 WeakPolarHBondContact CE-O 3.48Å; K726-I822 HydrophobicContact CG-CG2 3.88Å; K726-I823 PolarHBondContact NZ-O 3.39Å
727	L	89.9	Confident	88.5	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-33.2	-177.1	179.7	54.1	0	0	0	113.3	W723 E724 F725 T731 Y863 L888 I897	W723-L727 HydrophobicContact CZ2-CB 4.45Å; W723-L727 HydrophobicContact CZ2-CD1 4.47Å; W723-L727 HydrophobicContact CZ2-CD2 4.42Å; W723-L727 WeakPolarHBondContact O-CB 3.38Å; W723-L727 PolarHBondContact O-N 3.21Å; E724-L727 PolarHBondContact O-N 3.48Å; F725-L727 VanDerWaalsContact C-N 3.27Å; F725-L727 PolarHBondContact O-N 3.43Å; L727-T731 VanDerWaalsContact O-CB 3.27Å; L727-T731 WeakPolarHBondContact O-CB 3.43Å; L727-T731 PolarHBondContact O-N 3.03Å; L727-T731 PolarHBondContact O-OG1 3.37Å; L727-Y863 HydrophobicContact CD1-CD1 4.16Å; L727-Y863 HydrophobicContact CD1-CE1 3.49Å; L727-Y863 VanDerWaalsContact CD1-CE1 3.49Å; L727-Y863 HydrophobicContact CD2-CE1 4.23Å; L727-L888 HydrophobicContact CD1-CD2 3.98Å; L727-I897 HydrophobicContact CB-CD1 4.37Å; L727-I897 HydrophobicContact CD2-CD1 3.42Å; L727-I897 VanDerWaalsContact CD2-CD1 3.42Å; L727-I897 HydrophobicContact CG-CD1 3.55Å
728	S	89.2	Confident	89.3	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.035	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-45.7	172.1	67.6	0	0	0	0	111.3	E724 F725 I730 T731 D732 I899	E724-S728 PolarHBondContact O-N 3.36Å; F725-S728 PolarHBondContact O-N 3.34Å; F725-S728 PolarHBondContact O-OG 3.39Å; S728-I730 VanDerWaalsContact C-N 3.35Å; S728-I730 PolarHBondContact O-N 3.44Å; S728-T731 WeakPolarHBondContact O-CB 3.38Å; S728-T731 PolarHBondContact O-N 3.14Å; S728-T731 VanDerWaalsContact O-N 3.1Å; S728-D732 PolarHBondContact O-N 3.43Å; S728-I899 VanDerWaalsContact CB-CG1 3.49Å; S728-I899 WeakPolarHBondContact OG-CD1 3.19Å; S728-I899 WeakPolarHBondContact OG-CG1 3.44Å
729	L	92.2	Very high	90.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-45.2	176.7	-61.5	174.5	0	0	0	111.3	L710 L721 F725 K726 T731 D732 V733 V764 I822	L710-L729 HydrophobicContact CD2-CB 4.38Å; L710-L729 HydrophobicContact CD2-CD1 4.1Å; L710-L729 HydrophobicContact CD2-CD2 4.04Å; L710-L729 HydrophobicContact CD2-CG 4.4Å; L721-L729 HydrophobicContact CD2-CD1 4.29Å; F725-L729 HydrophobicContact CD1-CD1 3.89Å; F725-L729 HydrophobicContact CD1-CG 4.07Å; F725-L729 HydrophobicContact CE1-CD1 3.98Å; F725-L729 HydrophobicContact CE1-CD2 4.13Å; F725-L729 HydrophobicContact CE1-CG 4.13Å; F725-L729 WeakPolarHBondContact O-CG 3.48Å; F725-L729 PolarHBondContact O-N 3.49Å; K726-L729 PolarHBondContact O-N 3.46Å; L729-T731 PolarHBondContact O-N 3.4Å; L729-D732 PolarHBondContact O-N 2.87Å; L729-V733 WeakPolarHBondContact O-CG2 3.18Å; L729-V733 PolarHBondContact O-N 2.95Å; L729-V733 VanDerWaalsContact O-N 3.15Å; L729-V764 HydrophobicContact CB-CG2 4.09Å; L729-V764 HydrophobicContact CD2-CG2 3.44Å; L729-V764 VanDerWaalsContact CD2-CG2 3.44Å; L729-V764 HydrophobicContact CG-CG2 4.37Å; L729-I822 HydrophobicContact CB-CD1 4.47Å
730	I	93.9	Very high	91	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-45.4	174.6	-69.3	163.7	0	0	0	110.8	K726 S728 D732 V733 V734 F815 M819 I822 I823 L888	K726-I730 WeakPolarHBondContact O-CD1 3.47Å; K726-I730 VanDerWaalsContact O-CG1 3.27Å; K726-I730 WeakPolarHBondContact O-CG1 3.45Å; K726-I730 PolarHBondContact O-N 3.25Å; S728-I730 VanDerWaalsContact C-N 3.35Å; S728-I730 PolarHBondContact O-N 3.44Å; I730-D732 VanDerWaalsContact C-N 3.34Å; I730-D732 PolarHBondContact O-N 3.21Å; I730-V733 PolarHBondContact O-N 3.38Å; I730-V734 WeakPolarHBondContact O-CG2 3.35Å; I730-V734 PolarHBondContact O-N 3.07Å; I730-V734 VanDerWaalsContact O-N 3.08Å; I730-F815 HydrophobicContact CG2-CE2 4.2Å; I730-F815 HydrophobicContact CG2-CZ 3.91Å; I730-M819 HydrophobicContact CD1-CG 4.01Å; I730-M819 HydrophobicContact CG1-CG 4.32Å; I730-M819 HydrophobicContact CG2-SD 4.45Å; I730-I822 HydrophobicContact CD1-CG2 4.15Å; I730-I822 HydrophobicContact CG1-CB 4.41Å; I730-I822 HydrophobicContact CG1-CD1 3.79Å; I730-I822 HydrophobicContact CG1-CG2 4.08Å; I730-I823 HydrophobicContact CD1-CD1 4.48Å; I730-I823 HydrophobicContact CD1-CG1 4.25Å; I730-L888 HydrophobicContact CG2-CD1 4.4Å
731	T	92.4	Very high	91.7	Very high	19 Å²	19	26.9 Å²	26.9	12%	0.117	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-38.8	-178.5	-61.6	0	0	0	0	111.7	L727 S728 L729 V734 K735	L727-T731 VanDerWaalsContact O-CB 3.27Å; L727-T731 WeakPolarHBondContact O-CB 3.43Å; L727-T731 PolarHBondContact O-N 3.03Å; L727-T731 PolarHBondContact O-OG1 3.37Å; S728-T731 WeakPolarHBondContact O-CB 3.38Å; S728-T731 PolarHBondContact O-N 3.14Å; S728-T731 VanDerWaalsContact O-N 3.1Å; L729-T731 PolarHBondContact O-N 3.4Å; T731-V734 PolarHBondContact O-N 3.27Å; T731-K735 WeakPolarHBondContact O-CG 3.45Å; T731-K735 PolarHBondContact O-N 3.12Å
732	D	93.6	Very high	92.3	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.059	15%	0.148	C	C	.	.	H	α-helix	trans	-69.3	-40.3	178.5	-82.6	4	0	0	0	112.9	N684 S728 L729 I730 V734 K735 G736 V764	N684-D732 WeakPolarHBondContact CB-O 3.36Å; N684-D732 VanDerWaalsContact ND2-CB 3.3Å; N684-D732 WeakPolarHBondContact ND2-CB 3.45Å; N684-D732 PolarHBondContact ND2-OD2 3.46Å; S728-D732 PolarHBondContact O-N 3.43Å; L729-D732 PolarHBondContact O-N 2.87Å; I730-D732 VanDerWaalsContact C-N 3.34Å; I730-D732 PolarHBondContact O-N 3.21Å; D732-V734 VanDerWaalsContact C-N 3.29Å; D732-V734 PolarHBondContact O-N 3.24Å; D732-K735 PolarHBondContact O-N 2.72Å; D732-K735 IonicContact OD1-NZ 2.97Å; D732-K735 PolarHBondContact OD1-NZ 3.02Å; D732-G736 PolarHBondContact O-N 2.7Å; D732-V764 HydrophobicContact CB-CB 3.76Å; D732-V764 HydrophobicContact CB-CG2 3.95Å; D732-V764 PolarHBondContact OD2-N 3.05Å
733	V	96.3	Very high	92.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-41	170.9	178.4	0	0	0	0	110.9	L710 L729 I730 G736 M737 C756 V764 I766 F815	L710-V733 HydrophobicContact CD1-CG2 3.94Å; L729-V733 WeakPolarHBondContact O-CG2 3.18Å; L729-V733 PolarHBondContact O-N 2.95Å; L729-V733 VanDerWaalsContact O-N 3.15Å; I730-V733 PolarHBondContact O-N 3.38Å; V733-G736 PolarHBondContact O-N 3.29Å; V733-M737 WeakPolarHBondContact O-CB 3.49Å; V733-M737 PolarHBondContact O-N 3.19Å; V733-C756 HydrophobicContact CG2-CB 4.32Å; V733-V764 HydrophobicContact CG2-CB 4.41Å; V733-V764 HydrophobicContact CG2-CG1 3.78Å; V733-I766 HydrophobicContact CG1-CD1 4.38Å; V733-F815 HydrophobicContact CB-CD2 4.41Å; V733-F815 HydrophobicContact CB-CE2 4.34Å; V733-F815 HydrophobicContact CG1-CD2 3.71Å; V733-F815 HydrophobicContact CG1-CE2 4.14Å
734	V	95.9	Very high	92.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-45.5	175.9	171.1	0	0	0	0	111.7	I730 T731 D732 G736 M737 R738 F815 F881 I884 Y885 L888	I730-V734 WeakPolarHBondContact O-CG2 3.35Å; I730-V734 PolarHBondContact O-N 3.07Å; I730-V734 VanDerWaalsContact O-N 3.08Å; T731-V734 PolarHBondContact O-N 3.27Å; D732-V734 VanDerWaalsContact C-N 3.29Å; D732-V734 PolarHBondContact O-N 3.24Å; V734-G736 PolarHBondContact O-N 3.35Å; V734-M737 PolarHBondContact O-N 2.71Å; V734-R738 WeakPolarHBondContact O-CB 3.31Å; V734-R738 PolarHBondContact O-N 2.85Å; V734-F815 HydrophobicContact CG2-CD2 4.36Å; V734-F815 HydrophobicContact CG2-CE1 3.96Å; V734-F815 HydrophobicContact CG2-CE2 3.51Å; V734-F815 HydrophobicContact CG2-CZ 3.26Å; V734-F881 HydrophobicContact CG1-CD1 4.32Å; V734-F881 HydrophobicContact CG2-CD1 4.36Å; V734-I884 HydrophobicContact CG1-CB 4.48Å; V734-I884 HydrophobicContact CG1-CG2 4.1Å; V734-I884 HydrophobicContact CG2-CG2 3.76Å; V734-Y885 HydrophobicContact CG1-CD2 4.11Å; V734-Y885 HydrophobicContact CG1-CG 4.45Å; V734-L888 HydrophobicContact CB-CD1 4.15Å; V734-L888 HydrophobicContact CG1-CD1 4.26Å; V734-L888 HydrophobicContact CG2-CD1 3.82Å
735	K	94.7	Very high	93.1	Very high	61 Å²	61	25.8 Å²	25.8	27%	0.265	14%	0.135	S	C	.	.	H	α-helix	trans	-57.2	-47.5	175.8	-71.9	170.4	-171	161.1	0	111.5	N684 T731 D732 R738 Y739 Y885	N684-K735 HydrophobicContact CB-CB 4.31Å; N684-K735 WeakPolarHBondContact OD1-CB 3.34Å; N684-K735 WeakPolarHBondContact OD1-CD 3.44Å; T731-K735 WeakPolarHBondContact O-CG 3.45Å; T731-K735 PolarHBondContact O-N 3.12Å; D732-K735 PolarHBondContact O-N 2.72Å; D732-K735 IonicContact OD1-NZ 2.97Å; D732-K735 PolarHBondContact OD1-NZ 3.02Å; K735-R738 PolarHBondContact O-N 3.18Å; K735-Y739 PolarHBondContact O-N 3.23Å; K735-Y739 VanDerWaalsContact O-N 3.08Å; K735-Y885 HydrophobicContact CG-CD2 4.41Å; K735-Y885 HydrophobicContact CG-CE2 3.86Å
736	G	95.8	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-47.1	-179.4	0	0	0	0	0	112.6	D732 V733 V734 Y739 I740	D732-G736 PolarHBondContact O-N 2.7Å; V733-G736 PolarHBondContact O-N 3.29Å; V734-G736 PolarHBondContact O-N 3.35Å; G736-Y739 PolarHBondContact O-N 2.91Å; G736-I740 WeakPolarHBondContact O-CG1 3.45Å; G736-I740 PolarHBondContact O-N 3.27Å
737	M	97.3	Very high	93.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-38	178.2	-77.8	-51.8	-50.4	0	0	113.1	V733 V734 Y739 I740 H741 H748 L751 I766 D811 F881	V733-M737 WeakPolarHBondContact O-CB 3.49Å; V733-M737 PolarHBondContact O-N 3.19Å; V734-M737 PolarHBondContact O-N 2.71Å; M737-Y739 VanDerWaalsContact C-N 3.29Å; M737-Y739 PolarHBondContact O-N 3.05Å; M737-I740 HydrophobicContact CE-CB 4.47Å; M737-I740 HydrophobicContact CE-CG2 4.19Å; M737-I740 PolarHBondContact O-N 2.9Å; M737-I740 HydrophobicContact SD-CD1 4.1Å; M737-H741 WeakPolarHBondContact CE-NE2 3.38Å; M737-H741 PolarHBondContact O-N 3.2Å; M737-H748 HydrophobicContact CE-CB 3.72Å; M737-H748 HydrophobicContact SD-CB 3.89Å; M737-L751 HydrophobicContact CG-CD1 4.45Å; M737-L751 HydrophobicContact CG-CD2 3.78Å; M737-L751 HydrophobicContact SD-CD1 3.92Å; M737-L751 HydrophobicContact SD-CD2 3.84Å; M737-L751 HydrophobicContact SD-CG 4.38Å; M737-I766 HydrophobicContact CB-CD1 4.32Å; M737-I766 HydrophobicContact CG-CD1 3.53Å; M737-I766 HydrophobicContact SD-CD1 3.66Å; M737-D811 HydrophobicContact CE-CB 3.75Å; M737-D811 WeakPolarHBondContact CE-OD2 3.43Å; M737-F881 HydrophobicContact CB-CD1 3.62Å; M737-F881 HydrophobicContact CB-CD2 3.86Å; M737-F881 HydrophobicContact CB-CE1 3.48Å; M737-F881 VanDerWaalsContact CB-CE1 3.48Å; M737-F881 HydrophobicContact CB-CE2 3.72Å; M737-F881 HydrophobicContact CB-CG 3.81Å; M737-F881 HydrophobicContact CB-CZ 3.53Å; M737-F881 HydrophobicContact CE-CE2 4.04Å; M737-F881 HydrophobicContact CE-CZ 4.41Å; M737-F881 HydrophobicContact CG-CD1 4.5Å; M737-F881 HydrophobicContact CG-CE1 3.87Å; M737-F881 HydrophobicContact CG-CE2 4.12Å; M737-F881 HydrophobicContact CG-CZ 3.65Å
738	R	95.8	Very high	93.9	Very high	79 Å²	79	33.1 Å²	33.1	30%	0.298	17%	0.167	S	C	.	.	H	α-helix	trans	-59.2	-40.8	173.7	-168.7	178.9	82.6	113.8	-2.8	111.5	V734 K735 S742 F881 E882	V734-R738 WeakPolarHBondContact O-CB 3.31Å; V734-R738 PolarHBondContact O-N 2.85Å; K735-R738 PolarHBondContact O-N 3.18Å; R738-S742 PolarHBondContact O-N 2.85Å; R738-F881 HydrophobicContact CB-CB 4.06Å; R738-E882 WeakPolarHBondContact CD-OE2 3.33Å; R738-E882 IonicContact CZ-OE2 3.4Å; R738-E882 IonicContact NE-OE2 3.66Å; R738-E882 IonicContact NH1-OE1 2.83Å; R738-E882 IonicContact NH1-OE2 3.23Å; R738-E882 PolarHBondContact NH1-OE2 3.32Å
739	Y	96	Very high	94	Very high	64 Å²	64	33.2 Å²	33.2	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-66.5	-49.7	172.5	-179	-103.7	0	0	0	111.6	I680 R681 N682 V685 K735 G736 M737 H741 S742 C743	I680-Y739 HydrophobicContact CG2-CD1 4.42Å; I680-Y739 HydrophobicContact CG2-CE1 3.66Å; R681-Y739 PolarHBondContact N-OH 3.2Å; R681-Y739 PolarHBondContact O-OH 2.8Å; R681-Y739 VanDerWaalsContact O-OH 3.04Å; N682-Y739 HydrophobicContact CB-CD1 3.32Å; N682-Y739 HydrophobicContact CB-CD2 4.14Å; N682-Y739 HydrophobicContact CB-CE1 3.4Å; N682-Y739 HydrophobicContact CB-CE2 4.23Å; N682-Y739 HydrophobicContact CB-CG 3.7Å; V685-Y739 HydrophobicContact CG2-CD1 3.95Å; K735-Y739 PolarHBondContact O-N 3.23Å; K735-Y739 VanDerWaalsContact O-N 3.08Å; G736-Y739 PolarHBondContact O-N 2.91Å; M737-Y739 VanDerWaalsContact C-N 3.29Å; M737-Y739 PolarHBondContact O-N 3.05Å; Y739-H741 VanDerWaalsContact C-N 3.27Å; Y739-H741 PolarHBondContact O-N 3.29Å; Y739-S742 CarbonylContact O-C 3.58Å; Y739-S742 WeakPolarHBondContact O-CA 3.49Å; Y739-S742 WeakPolarHBondContact O-CB 3.17Å; Y739-S742 PolarHBondContact O-N 3.48Å; Y739-S742 PolarHBondContact O-OG 3Å; Y739-C743 WeakPolarHBondContact CE1-SG 3.1Å; Y739-C743 PolarHBondContact O-N 2.92Å; Y739-C743 PolarHBondContact O-SG 2.92Å
740	I	95.5	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-39.4	177.8	-74	169.2	0	0	0	112.7	V685 G736 M737 S742 C743 I745 H748 I766	V685-I740 HydrophobicContact CG2-CD1 4.03Å; V685-I740 HydrophobicContact CG2-CG1 3.94Å; G736-I740 WeakPolarHBondContact O-CG1 3.45Å; G736-I740 PolarHBondContact O-N 3.27Å; M737-I740 HydrophobicContact CE-CB 4.47Å; M737-I740 HydrophobicContact CE-CG2 4.19Å; M737-I740 PolarHBondContact O-N 2.9Å; M737-I740 HydrophobicContact SD-CD1 4.1Å; I740-S742 VanDerWaalsContact C-N 3.32Å; I740-C743 PolarHBondContact O-N 3Å; I740-I745 HydrophobicContact CG2-CD1 3.89Å; I740-I745 HydrophobicContact CG2-CG1 4.3Å; I740-H748 HydrophobicContact CG2-CB 4.37Å; I740-I766 HydrophobicContact CD1-CB 4.08Å; I740-I766 HydrophobicContact CD1-CD1 4.27Å; I740-I766 HydrophobicContact CD1-CG2 3.79Å
741	H	95.5	Very high	94.1	Very high	44 Å²	44	33.7 Å²	33.7	20%	0.204	17%	0.17	C	C	.	.	H	α-helix	trans	-70.5	-25.5	176.5	-75.3	-167.2	0	0	0	113.5	M737 Y739 K746 P808 D811 F881	M737-H741 WeakPolarHBondContact CE-NE2 3.38Å; M737-H741 PolarHBondContact O-N 3.2Å; Y739-H741 VanDerWaalsContact C-N 3.27Å; Y739-H741 PolarHBondContact O-N 3.29Å; H741-K746 PolarHBondContact CD2-O 3.49Å; H741-P808 PolarHBondContact CE1-O 3.34Å; H741-P808 VanDerWaalsContact CE1-O 3.29Å; H741-D811 IonicContact CD2-OD2 2.72Å; H741-D811 IonicContact CE1-OD2 3.16Å; H741-D811 IonicContact NE2-OD2 3.8Å; H741-D811 PolarHBondContact NE2-OD2 3.46Å; H741-F881 AromaticContact CE1-CD2 3.38Å; H741-F881 WeakPolarHBondContact CE1-CD2 3.15Å; H741-F881 AromaticContact CE1-CE2 3.57Å; H741-F881 AromaticContact ND1-CD2 3.52Å
742	S	93.4	Very high	94.2	Very high	91 Å²	91	33 Å²	33	64%	0.636	17%	0.165	S	C	*	.	H	α-helix	trans	-82.7	-23	172.2	75.2	0	0	0	0	113.7	R738 Y739 I740	R738-S742 PolarHBondContact O-N 2.85Å; Y739-S742 CarbonylContact O-C 3.58Å; Y739-S742 WeakPolarHBondContact O-CA 3.49Å; Y739-S742 WeakPolarHBondContact O-CB 3.17Å; Y739-S742 PolarHBondContact O-N 3.48Å; Y739-S742 PolarHBondContact O-OG 3Å; I740-S742 VanDerWaalsContact C-N 3.32Å
743	C	91.4	Very high	94.3	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.068	16%	0.162	C	C	.	.	S	Bend	trans	-72.3	162.4	178.5	-69.8	0	0	0	0	112.8	I680 Y739 I740 I745 K746	I680-C743 HydrophobicContact CD1-CB 4.34Å; Y739-C743 WeakPolarHBondContact CE1-SG 3.1Å; Y739-C743 PolarHBondContact O-N 2.92Å; Y739-C743 PolarHBondContact O-SG 2.92Å; I740-C743 PolarHBondContact O-N 3Å; C743-I745 HydrophobicContact CB-CG1 4.09Å; C743-I745 PolarHBondContact O-N 3.38Å; C743-K746 PolarHBondContact O-N 3.23Å
744	P	90.5	Very high	94.2	Very high	92 Å²	92	35 Å²	35	60%	0.597	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.3	180	-29.6	37.7	0	0	0	115.5	L676 K746	L676-P744 HydrophobicContact CD1-CB 4.1Å; L676-P744 HydrophobicContact CD1-CG 4.16Å; L676-P744 HydrophobicContact CD2-CB 4.32Å; P744-K746 VanDerWaalsContact C-N 3.33Å
745	I	91.3	Very high	94.1	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.072	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.3	175.8	58.7	171.9	0	0	0	113.8	L676 L677 I680 I740 C743 K747 Y769	L676-I745 HydrophobicContact CD2-CG2 4.47Å; L677-I745 HydrophobicContact CD2-CG2 3.81Å; I680-I745 HydrophobicContact CD1-CD1 3.66Å; I680-I745 HydrophobicContact CD1-CG1 3.94Å; I680-I745 HydrophobicContact CD1-CG2 4.02Å; I740-I745 HydrophobicContact CG2-CD1 3.89Å; I740-I745 HydrophobicContact CG2-CG1 4.3Å; C743-I745 HydrophobicContact CB-CG1 4.09Å; C743-I745 PolarHBondContact O-N 3.38Å; I745-K747 PolarHBondContact O-N 2.85Å; I745-Y769 HydrophobicContact CD1-CD2 3.84Å; I745-Y769 HydrophobicContact CD1-CG 4.38Å
746	K	93	Very high	94.2	Very high	139 Å²	139	32.7 Å²	32.7	60%	0.604	17%	0.169	S	C	*	.			trans	57.5	-16.4	175.5	-58.9	177.3	-175.3	-179.3	0	118.1	H741 C743 P744	H741-K746 PolarHBondContact CD2-O 3.49Å; C743-K746 PolarHBondContact O-N 3.23Å; P744-K746 VanDerWaalsContact C-N 3.33Å
747	K	94.2	Very high	94.2	Very high	64 Å²	64	33.6 Å²	33.6	28%	0.278	18%	0.175	S	C	.	.			trans	-150.3	154.1	-178.5	60.3	-178.5	-179.6	178.5	0	110.9	I745 T805 G806 P808 D811	I745-K747 PolarHBondContact O-N 2.85Å; K747-T805 WeakPolarHBondContact CE-O 3.42Å; K747-T805 PolarHBondContact NZ-O 3.14Å; K747-T805 PolarHBondContact NZ-OG1 3.49Å; K747-G806 WeakPolarHBondContact CD-O 3.33Å; K747-G806 PolarHBondContact NZ-O 3.27Å; K747-P808 HydrophobicContact CB-CG 4.23Å; K747-D811 WeakPolarHBondContact CA-OD2 3.34Å
748	H	94.7	Very high	94	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.			trans	-87.3	-41.2	167.3	-174.8	-69.6	0	0	0	110.7	M737 I740 W750 L751 I766 T767 D811	M737-H748 HydrophobicContact CE-CB 3.72Å; M737-H748 HydrophobicContact SD-CB 3.89Å; I740-H748 HydrophobicContact CG2-CB 4.37Å; H748-W750 VanDerWaalsContact CE1-C 3.46Å; H748-W750 PolarHBondContact CE1-O 2.86Å; H748-W750 VanDerWaalsContact CE1-O 3.22Å; H748-W750 PolarHBondContact ND1-N 3.33Å; H748-W750 PolarHBondContact ND1-O 3.24Å; H748-W750 PolarHBondContact O-N 2.8Å; H748-W750 VanDerWaalsContact O-N 3.07Å; H748-L751 PolarHBondContact ND1-N 3.2Å; H748-L751 VanDerWaalsContact ND1-N 3.16Å; H748-I766 VanDerWaalsContact CD2-CG2 3.45Å; H748-I766 WeakPolarHBondContact CD2-CG2 3.19Å; H748-T767 PolarHBondContact NE2-O 3.39Å; H748-D811 PolarHBondContact N-OD2 3.22Å
749	G	91.1	Very high	93.7	Very high	7 Å²	7	30.9 Å²	30.9	7%	0.072	17%	0.166	C	C	.	.	S	Bend	trans	82.5	-42.6	177	0	0	0	0	0	114.1	D811	G749-D811 WeakPolarHBondContact CA-OD1 3.28Å; G749-D811 PolarHBondContact N-OD1 3.13Å
750	W	92.9	Very high	93.2	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.042	17%	0.174	C	C	.	.	S	Bend	trans	-124.1	49.8	-178.9	-58.8	-27.4	0	0	0	113.6	H748 N755 L771 P772 F775 R782 Y804	H748-W750 VanDerWaalsContact CE1-C 3.46Å; H748-W750 PolarHBondContact CE1-O 2.86Å; H748-W750 VanDerWaalsContact CE1-O 3.22Å; H748-W750 PolarHBondContact ND1-N 3.33Å; H748-W750 PolarHBondContact ND1-O 3.24Å; H748-W750 PolarHBondContact O-N 2.8Å; H748-W750 VanDerWaalsContact O-N 3.07Å; W750-N755 PolarHBondContact O-ND2 3.38Å; W750-L771 HydrophobicContact CE3-CB 3.99Å; W750-L771 HydrophobicContact CZ3-CB 3.73Å; W750-L771 HydrophobicContact CZ3-CD1 4.5Å; W750-P772 HydrophobicContact CD2-CG 3.81Å; W750-P772 HydrophobicContact CE3-CG 4.12Å; W750-P772 HydrophobicContact CG-CG 4.19Å; W750-P772 HydrophobicContact CZ2-CB 4.29Å; W750-P772 HydrophobicContact CZ2-CG 4.21Å; W750-P772 HydrophobicContact CZ3-CG 4.47Å; W750-F775 HydrophobicContact CH2-CB 4.34Å; W750-F775 AromaticContact CH2-CD2 3.53Å; W750-F775 HydrophobicContact CH2-CD2 3.53Å; W750-F775 HydrophobicContact CH2-CE2 4.11Å; W750-F775 HydrophobicContact CH2-CG 4.09Å; W750-F775 AromaticContact CZ3-CD2 3.74Å; W750-F775 HydrophobicContact CZ3-CD2 3.74Å; W750-F775 AromaticContact CZ3-CE2 3.96Å; W750-F775 HydrophobicContact CZ3-CE2 3.96Å; W750-R782 HydrophobicContact CH2-CB 4.26Å; W750-Y804 WeakPolarHBondContact CZ2-O 3.27Å
751	L	95.3	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.			trans	-70.1	135.9	-178.4	-177.9	67	0	0	0	111.2	M737 H748 I766 W791 S814 F815	M737-L751 HydrophobicContact CG-CD1 4.45Å; M737-L751 HydrophobicContact CG-CD2 3.78Å; M737-L751 HydrophobicContact SD-CD1 3.92Å; M737-L751 HydrophobicContact SD-CD2 3.84Å; M737-L751 HydrophobicContact SD-CG 4.38Å; H748-L751 PolarHBondContact ND1-N 3.2Å; H748-L751 VanDerWaalsContact ND1-N 3.16Å; L751-I766 HydrophobicContact CD1-CG2 4.2Å; L751-W791 WeakPolarHBondContact O-CB 3.5Å; L751-S814 WeakPolarHBondContact O-CB 3.45Å; L751-F815 HydrophobicContact CD2-CB 3.96Å
752	K	95	Very high	92.3	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	21%	0.206	C	C	.	.			trans	-155.5	162.1	-177.9	-55.7	-178.7	-175.3	-171.8	0	110.7	T754 N755 C756 E788 W791	K752-T754 PolarHBondContact O-N 3.13Å; K752-N755 PolarHBondContact O-N 3.04Å; K752-C756 PolarHBondContact O-N 2.93Å; K752-E788 WeakPolarHBondContact CE-O 3.27Å; K752-E788 PolarHBondContact NZ-O 2.67Å; K752-E788 IonicContact NZ-OE2 3.62Å; K752-E788 PolarHBondContact NZ-OE2 3.48Å; K752-W791 HydrophobicContact CB-CD2 3.92Å; K752-W791 HydrophobicContact CB-CE3 4.22Å; K752-W791 HydrophobicContact CB-CG 4.18Å; K752-W791 HydrophobicContact CD-CD2 4.27Å; K752-W791 HydrophobicContact CD-CE3 3.75Å; K752-W791 HydrophobicContact CD-CZ3 4.06Å; K752-W791 HydrophobicContact CG-CB 4.22Å; K752-W791 HydrophobicContact CG-CD2 3.78Å; K752-W791 HydrophobicContact CG-CE3 3.77Å; K752-W791 HydrophobicContact CG-CG 3.97Å; K752-W791 HydrophobicContact CG-CZ3 4.45Å
753	S	94.7	Very high	92.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60.8	-27.8	172.8	56	0	0	0	0	113.4	L710 N755 W791 E821	L710-S753 PolarHBondContact N-O 2.69Å; S753-N755 VanDerWaalsContact C-N 3.29Å; S753-N755 PolarHBondContact O-N 2.9Å; S753-W791 WeakPolarHBondContact OG-CZ2 3.49Å; S753-E821 VanDerWaalsContact CB-OE1 3.24Å; S753-E821 WeakPolarHBondContact CB-OE1 3.48Å; S753-E821 WeakPolarHBondContact CB-OE2 3.46Å; S753-E821 VanDerWaalsContact OG-CD 3.3Å; S753-E821 PolarHBondContact OG-OE1 3.02Å; S753-E821 PolarHBondContact OG-OE2 3.27Å
754	T	94.2	Very high	92.4	Very high	55 Å²	55	35.1 Å²	35.1	34%	0.337	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-69.5	-23.6	172.4	56.9	0	0	0	0	113.9	S709 K711 K752	S709-T754 WeakPolarHBondContact CB-O 3.48Å; K711-T754 HydrophobicContact CB-CG2 4.34Å; K711-T754 HydrophobicContact CD-CG2 4.12Å; K752-T754 PolarHBondContact O-N 3.13Å
755	N	94.7	Very high	92.6	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.064	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-99.6	1	-174.5	-58.1	4.4	0	0	0	111.6	W750 K752 S753 I766 T767 D768	W750-N755 PolarHBondContact O-ND2 3.38Å; K752-N755 PolarHBondContact O-N 3.04Å; S753-N755 VanDerWaalsContact C-N 3.29Å; S753-N755 PolarHBondContact O-N 2.9Å; N755-I766 WeakPolarHBondContact O-CA 3.28Å; N755-T767 WeakPolarHBondContact O-CG2 3.47Å; N755-T767 PolarHBondContact O-N 2.85Å; N755-D768 HydrophobicContact CB-CB 4.4Å
756	C	96.6	Very high	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	98.8	169.7	-63.3	0	0	0	0	107.5	S709 L710 V733 K752 V764	S709-C756 CarbonylContact C-O 3.49Å; S709-C756 WeakPolarHBondContact CA-O 3.21Å; L710-C756 HydrophobicContact CB-CB 4.36Å; L710-C756 HydrophobicContact CD1-CB 3.49Å; L710-C756 VanDerWaalsContact CD1-CB 3.49Å; L710-C756 HydrophobicContact CG-CB 3.76Å; L710-C756 PolarHBondContact N-O 3.11Å; V733-C756 HydrophobicContact CG2-CB 4.32Å; K752-C756 PolarHBondContact O-N 2.93Å; C756-V764 HydrophobicContact CB-CG1 3.77Å
757	C	95.6	Very high	93	Very high	20 Å²	20	25.7 Å²	25.7	14%	0.135	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	158.3	-179.7	-61.8	0	0	0	0	111.4	C705 G708 V764 K765	C705-C757 HydrophobicContact CB-CB 3.48Å; C705-C757 VanDerWaalsContact CB-CB 3.48Å; C705-C757 VanDerWaalsContact SG-CB 3.59Å; G708-C757 CarbonylContact O-C 3.58Å; G708-C757 WeakPolarHBondContact O-CA 3.17Å; C757-V764 CarbonylContact O-C 3.56Å; C757-V764 WeakPolarHBondContact O-CA 3.39Å; C757-K765 PolarHBondContact N-O 2.89Å; C757-K765 PolarHBondContact O-N 3.02Å
758	V	93.5	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.9	-178.8	179.7	0	0	0	0	110.5	C705 R707 G708 L710 I713 W762 V763 V764	C705-V758 CarbonylContact C-O 3.57Å; C705-V758 WeakPolarHBondContact CB-O 3.14Å; R707-V758 HydrophobicContact CB-CB 4.07Å; R707-V758 HydrophobicContact CB-CG1 4.07Å; R707-V758 WeakPolarHBondContact CB-O 3.47Å; R707-V758 HydrophobicContact CG-CG1 4.26Å; R707-V758 PolarHBondContact N-O 3.28Å; G708-V758 PolarHBondContact O-N 3.11Å; L710-V758 HydrophobicContact CD2-CG2 3.75Å; L710-V758 HydrophobicContact CG-CG2 4.4Å; I713-V758 HydrophobicContact CD1-CB 3.51Å; I713-V758 HydrophobicContact CD1-CG1 3.82Å; I713-V758 HydrophobicContact CD1-CG2 3.49Å; I713-V758 VanDerWaalsContact CD1-CG2 3.49Å; V758-W762 HydrophobicContact CG1-CE3 4.06Å; V758-V763 WeakPolarHBondContact CA-O 3.27Å; V758-V764 HydrophobicContact CG2-CG1 4.48Å; V758-V764 HydrophobicContact CG2-CG2 4.13Å
759	D	89.7	Confident	92.8	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.112	12%	0.12	C	C	.	.			trans	-85.3	-179.8	-177.6	80.9	4.2	0	0	0	113.1	R707 R761 W762 V763 K765	R707-D759 VanDerWaalsContact CG-O 3.28Å; R707-D759 WeakPolarHBondContact CG-O 3.12Å; D759-R761 PolarHBondContact O-N 3.11Å; D759-R761 VanDerWaalsContact O-N 3.1Å; D759-R761 WeakPolarHBondContact OD1-CA 3.45Å; D759-R761 WeakPolarHBondContact OD1-CB 3.18Å; D759-R761 PolarHBondContact OD1-N 3.03Å; D759-W762 PolarHBondContact O-N 3.09Å; D759-W762 VanDerWaalsContact O-N 3.1Å; D759-W762 PolarHBondContact OD1-N 3.35Å; D759-V763 PolarHBondContact N-O 3.47Å; D759-V763 PolarHBondContact OD1-N 2.99Å; D759-K765 WeakPolarHBondContact OD2-CE 3.08Å; D759-K765 IonicContact OD2-NZ 2.78Å; D759-K765 PolarHBondContact OD2-NZ 3.33Å
760	G	84	Confident	92.8	Very high	40 Å²	40	23.2 Å²	23.2	41%	0.412	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.1	-178.9	0	0	0	0	0	114.7	T706	T706-G760 WeakPolarHBondContact OG1-CA 3.49Å; T706-G760 PolarHBondContact OG1-N 2.91Å
761	R	85.2	Confident	92.7	Very high	208 Å²	208	22.9 Å²	22.9	79%	0.785	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	9	-179.8	-59.3	-179.4	178.8	177.9	-0.4	112.9	D759 V763	D759-R761 PolarHBondContact O-N 3.11Å; D759-R761 VanDerWaalsContact O-N 3.1Å; D759-R761 WeakPolarHBondContact OD1-CA 3.45Å; D759-R761 WeakPolarHBondContact OD1-CB 3.18Å; D759-R761 PolarHBondContact OD1-N 3.03Å; R761-V763 VanDerWaalsContact C-N 3.26Å; R761-V763 HydrophobicContact CB-CG2 4.37Å; R761-V763 PolarHBondContact O-N 3.26Å
762	W	87.4	Confident	92.4	Very high	27 Å²	27	23.6 Å²	23.6	10%	0.102	12%	0.122	C	C	.	.	S	Bend	trans	64.6	21.5	-176.9	-62.1	97.2	0	0	0	115.5	I713 I719 F725 V758 D759 I899 M903	I713-W762 HydrophobicContact CD1-CE3 4.36Å; I713-W762 HydrophobicContact CD1-CZ3 4.01Å; I713-W762 HydrophobicContact CG1-CZ3 4.37Å; I713-W762 HydrophobicContact CG2-CZ3 4.33Å; I719-W762 HydrophobicContact CD1-CH2 3.85Å; I719-W762 HydrophobicContact CD1-CZ3 4.31Å; I719-W762 HydrophobicContact CG1-CH2 4.25Å; I719-W762 HydrophobicContact CG2-CH2 3.95Å; I719-W762 HydrophobicContact CG2-CZ3 4.32Å; F725-W762 HydrophobicContact CE1-CE3 4.04Å; F725-W762 HydrophobicContact CE1-CZ3 4.3Å; F725-W762 HydrophobicContact CZ-CB 4.45Å; F725-W762 AromaticContact CZ-CD2 3.82Å; F725-W762 HydrophobicContact CZ-CD2 3.82Å; F725-W762 AromaticContact CZ-CE3 3.54Å; F725-W762 HydrophobicContact CZ-CE3 3.54Å; F725-W762 HydrophobicContact CZ-CG 4.26Å; F725-W762 HydrophobicContact CZ-CH2 4.46Å; F725-W762 AromaticContact CZ-CZ3 3.89Å; F725-W762 HydrophobicContact CZ-CZ3 3.89Å; V758-W762 HydrophobicContact CG1-CE3 4.06Å; D759-W762 PolarHBondContact O-N 3.09Å; D759-W762 VanDerWaalsContact O-N 3.1Å; D759-W762 PolarHBondContact OD1-N 3.35Å; W762-I899 HydrophobicContact CB-CD1 4.2Å; W762-M903 HydrophobicContact CG-SD 4.27Å; W762-M903 PolarHBondContact NE1-SD 2.82Å
763	V	91.3	Very high	92.1	Very high	23 Å²	23	28.6 Å²	28.6	14%	0.139	15%	0.146	C	C	.	.			trans	-85.1	133.5	173.4	179.2	0	0	0	0	109.7	E683 N684 V758 D759 R761	E683-V763 HydrophobicContact CG-CG1 4.02Å; N684-V763 WeakPolarHBondContact ND2-CG1 3.27Å; V758-V763 WeakPolarHBondContact CA-O 3.27Å; D759-V763 PolarHBondContact N-O 3.47Å; D759-V763 PolarHBondContact OD1-N 2.99Å; R761-V763 VanDerWaalsContact C-N 3.26Å; R761-V763 HydrophobicContact CB-CG2 4.37Å; R761-V763 PolarHBondContact O-N 3.26Å
764	V	95.2	Very high	91.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128	175.4	-166.9	0	0	0	0	110.3	N684 L710 L729 D732 V733 C756 C757 V758	N684-V764 VanDerWaalsContact CA-O 3.26Å; N684-V764 WeakPolarHBondContact CA-O 3.36Å; N684-V764 WeakPolarHBondContact CB-O 3.41Å; N684-V764 PolarHBondContact ND2-O 2.81Å; L710-V764 HydrophobicContact CD1-CG1 4.14Å; L710-V764 HydrophobicContact CD2-CG1 4.44Å; L710-V764 HydrophobicContact CD2-CG2 4.11Å; L710-V764 HydrophobicContact CG-CG1 4.23Å; L729-V764 HydrophobicContact CB-CG2 4.09Å; L729-V764 HydrophobicContact CD2-CG2 3.44Å; L729-V764 VanDerWaalsContact CD2-CG2 3.44Å; L729-V764 HydrophobicContact CG-CG2 4.37Å; D732-V764 HydrophobicContact CB-CB 3.76Å; D732-V764 HydrophobicContact CB-CG2 3.95Å; D732-V764 PolarHBondContact OD2-N 3.05Å; V733-V764 HydrophobicContact CG2-CB 4.41Å; V733-V764 HydrophobicContact CG2-CG1 3.78Å; C756-V764 HydrophobicContact CB-CG1 3.77Å; C757-V764 CarbonylContact O-C 3.56Å; C757-V764 WeakPolarHBondContact O-CA 3.39Å; V758-V764 HydrophobicContact CG2-CG1 4.48Å; V758-V764 HydrophobicContact CG2-CG2 4.13Å
765	K	95.9	Very high	91.5	Very high	38 Å²	38	26.6 Å²	26.6	17%	0.165	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121	178.9	-61.8	-169.4	-177.5	167	0	111.1	E683 N684 N686 C757 D759 T767	E683-K765 WeakPolarHBondContact O-CE 3.47Å; E683-K765 WeakPolarHBondContact O-CG 3.5Å; N684-K765 WeakPolarHBondContact O-CA 3.41Å; N686-K765 HydrophobicContact CB-CB 3.94Å; C757-K765 PolarHBondContact N-O 2.89Å; C757-K765 PolarHBondContact O-N 3.02Å; D759-K765 WeakPolarHBondContact OD2-CE 3.08Å; D759-K765 IonicContact OD2-NZ 2.78Å; D759-K765 PolarHBondContact OD2-NZ 3.33Å; K765-T767 PolarHBondContact O-N 3.2Å
766	I	97.1	Very high	91.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.8	178.5	-54.8	-178.7	0	0	0	109.2	N684 N686 V733 M737 I740 H748 L751 N755	N684-I766 PolarHBondContact O-N 2.98Å; N686-I766 PolarHBondContact N-O 3Å; V733-I766 HydrophobicContact CG1-CD1 4.38Å; M737-I766 HydrophobicContact CB-CD1 4.32Å; M737-I766 HydrophobicContact CG-CD1 3.53Å; M737-I766 HydrophobicContact SD-CD1 3.66Å; I740-I766 HydrophobicContact CD1-CB 4.08Å; I740-I766 HydrophobicContact CD1-CD1 4.27Å; I740-I766 HydrophobicContact CD1-CG2 3.79Å; H748-I766 VanDerWaalsContact CD2-CG2 3.45Å; H748-I766 WeakPolarHBondContact CD2-CG2 3.19Å; L751-I766 HydrophobicContact CD1-CG2 4.2Å; N755-I766 WeakPolarHBondContact O-CA 3.28Å
767	T	94.9	Very high	90.6	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	17%	0.165	C	C	.	.			trans	-102.6	-178.3	175.3	-165.1	0	0	0	0	110.1	H748 N755 K765 Y769	H748-T767 PolarHBondContact NE2-O 3.39Å; N755-T767 WeakPolarHBondContact O-CG2 3.47Å; N755-T767 PolarHBondContact O-N 2.85Å; K765-T767 PolarHBondContact O-N 3.2Å; T767-Y769 PolarHBondContact O-N 2.86Å
768	D	92.1	Very high	90.1	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.07	16%	0.162	C	C	.	.	S	Bend	trans	63	9.7	172.4	-73.9	-32.9	0	0	0	117.3	K657 N755 L771	K657-D768 WeakPolarHBondContact CD-OD1 3.39Å; K657-D768 WeakPolarHBondContact CE-OD1 3.47Å; K657-D768 IonicContact NZ-OD1 2.85Å; K657-D768 PolarHBondContact NZ-OD1 3.44Å; K657-D768 IonicContact NZ-OD2 2.7Å; K657-D768 PolarHBondContact NZ-OD2 3.45Å; N755-D768 HydrophobicContact CB-CB 4.4Å; D768-L771 HydrophobicContact CB-CD1 3.77Å; D768-L771 HydrophobicContact CB-CG 4.47Å; D768-L771 WeakPolarHBondContact O-CG 3.48Å; D768-L771 WeakPolarHBondContact OD1-CD1 3.39Å
769	Y	93.3	Very high	89.6	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	144.6	172.8	59.5	-89.4	0	0	0	111.6	L677 I680 V685 N686 L688 F702 I745 T767 L771	L677-Y769 HydrophobicContact CB-CE2 4.23Å; L677-Y769 HydrophobicContact CD2-CD2 3.76Å; L677-Y769 HydrophobicContact CD2-CE2 3.93Å; L677-Y769 PolarHBondContact O-OH 3.15Å; I680-Y769 HydrophobicContact CB-CE2 4.18Å; I680-Y769 HydrophobicContact CD1-CD2 4.2Å; I680-Y769 HydrophobicContact CD1-CE2 4Å; I680-Y769 HydrophobicContact CG2-CE2 4.08Å; V685-Y769 HydrophobicContact CG1-CD1 3.69Å; V685-Y769 HydrophobicContact CG1-CE1 3.26Å; V685-Y769 HydrophobicContact CG1-CE2 4.42Å; V685-Y769 HydrophobicContact CG1-CG 4.44Å; N686-Y769 VanDerWaalsContact O-CE1 3.31Å; N686-Y769 WeakPolarHBondContact O-CE1 3.44Å; N686-Y769 PolarHBondContact O-OH 3.43Å; L688-Y769 PolarHBondContact N-OH 3.24Å; F702-Y769 HydrophobicContact CE1-CE1 4.16Å; I745-Y769 HydrophobicContact CD1-CD2 3.84Å; I745-Y769 HydrophobicContact CD1-CG 4.38Å; T767-Y769 PolarHBondContact O-N 2.86Å; Y769-L771 PolarHBondContact O-N 2.98Å
770	G	90.2	Very high	89	Confident	5 Å²	5	33.6 Å²	33.6	5%	0.052	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-5.3	179.8	0	0	0	0	0	116.1	H673 P772 E773 I774	H673-G770 PolarHBondContact NE2-O 2.71Å; G770-P772 VanDerWaalsContact C-CD 3.48Å; G770-E773 PolarHBondContact O-N 3.08Å; G770-I774 PolarHBondContact O-N 3.18Å
771	L	90.1	Very high	88.6	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-54.2	-42.9	173.9	-77.7	-177.6	0	0	0	114.7	L659 L700 W750 D768 Y769 E773 I774 F775	L659-L771 HydrophobicContact CD2-CD2 3.7Å; L700-L771 HydrophobicContact CD1-CD2 3.61Å; W750-L771 HydrophobicContact CE3-CB 3.99Å; W750-L771 HydrophobicContact CZ3-CB 3.73Å; W750-L771 HydrophobicContact CZ3-CD1 4.5Å; D768-L771 HydrophobicContact CB-CD1 3.77Å; D768-L771 HydrophobicContact CB-CG 4.47Å; D768-L771 WeakPolarHBondContact O-CG 3.48Å; D768-L771 WeakPolarHBondContact OD1-CD1 3.39Å; Y769-L771 PolarHBondContact O-N 2.98Å; L771-E773 PolarHBondContact O-N 3.5Å; L771-E773 VanDerWaalsContact O-N 3.15Å; L771-I774 HydrophobicContact CD2-CD1 4.33Å; L771-I774 WeakPolarHBondContact O-CB 3.45Å; L771-I774 PolarHBondContact O-N 3.04Å; L771-F775 HydrophobicContact CD2-CE2 4.48Å; L771-F775 WeakPolarHBondContact O-CD2 3.49Å; L771-F775 PolarHBondContact O-N 3.12Å
772	P	88.9	Confident	88.1	Confident	15 Å²	15	29.1 Å²	29.1	10%	0.097	18%	0.175	C	C	.	.	H	α-helix	trans	-51.9	-39.1	178.9	-30.2	36.2	0	0	0	113.7	W750 G770 G776	W750-P772 HydrophobicContact CD2-CG 3.81Å; W750-P772 HydrophobicContact CE3-CG 4.12Å; W750-P772 HydrophobicContact CG-CG 4.19Å; W750-P772 HydrophobicContact CZ2-CB 4.29Å; W750-P772 HydrophobicContact CZ2-CG 4.21Å; W750-P772 HydrophobicContact CZ3-CG 4.47Å; G770-P772 VanDerWaalsContact C-CD 3.48Å; P772-G776 PolarHBondContact O-N 2.99Å
773	E	88.6	Confident	87.5	Confident	108 Å²	108	37 Å²	37	51%	0.505	21%	0.21	S	C	.	.	H	α-helix	trans	-77.7	-31.4	-179.3	-172.1	158.6	-165.8	0	0	112.4	H673 G770 L771 G776 I777	H673-E773 VanDerWaalsContact CE1-CD 3.46Å; H673-E773 IonicContact CE1-OE2 2.69Å; H673-E773 PolarHBondContact CE1-OE2 3.12Å; H673-E773 IonicContact ND1-OE2 3.6Å; G770-E773 PolarHBondContact O-N 3.08Å; L771-E773 PolarHBondContact O-N 3.5Å; L771-E773 VanDerWaalsContact O-N 3.15Å; E773-G776 PolarHBondContact O-N 3.36Å; E773-I777 HydrophobicContact CG-CD1 4.45Å; E773-I777 VanDerWaalsContact O-CG1 3.27Å; E773-I777 WeakPolarHBondContact O-CG1 3.26Å; E773-I777 PolarHBondContact O-N 3.14Å
774	I	89.3	Confident	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-48.4	169.5	-68.3	172.6	0	0	0	110.6	L659 F670 L677 L700 G770 L771 G776 I777 Y778	L659-I774 HydrophobicContact CD1-CG2 3.93Å; F670-I774 HydrophobicContact CD2-CG1 4.26Å; F670-I774 HydrophobicContact CD2-CG2 3.88Å; F670-I774 HydrophobicContact CE2-CD1 4.13Å; F670-I774 HydrophobicContact CE2-CG1 4.29Å; F670-I774 HydrophobicContact CE2-CG2 3.79Å; L677-I774 HydrophobicContact CD1-CD1 3.99Å; L700-I774 HydrophobicContact CD1-CD1 3.88Å; L700-I774 HydrophobicContact CD2-CD1 4.35Å; G770-I774 PolarHBondContact O-N 3.18Å; L771-I774 HydrophobicContact CD2-CD1 4.33Å; L771-I774 WeakPolarHBondContact O-CB 3.45Å; L771-I774 PolarHBondContact O-N 3.04Å; I774-G776 VanDerWaalsContact C-N 3.3Å; I774-G776 PolarHBondContact O-N 2.99Å; I774-I777 PolarHBondContact O-N 3.16Å; I774-Y778 WeakPolarHBondContact O-CD2 3.27Å; I774-Y778 PolarHBondContact O-N 3.02Å
775	F	87.8	Confident	86.4	Confident	13 Å²	13	44.1 Å²	44.1	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-38.6	176.1	-82.2	-79.6	0	0	0	111.7	L661 W750 L771 Y778 G779 T780 R782	L661-F775 HydrophobicContact CD2-CD1 3.76Å; L661-F775 HydrophobicContact CD2-CE1 3.7Å; W750-F775 HydrophobicContact CH2-CB 4.34Å; W750-F775 AromaticContact CH2-CD2 3.53Å; W750-F775 HydrophobicContact CH2-CD2 3.53Å; W750-F775 HydrophobicContact CH2-CE2 4.11Å; W750-F775 HydrophobicContact CH2-CG 4.09Å; W750-F775 AromaticContact CZ3-CD2 3.74Å; W750-F775 HydrophobicContact CZ3-CD2 3.74Å; W750-F775 AromaticContact CZ3-CE2 3.96Å; W750-F775 HydrophobicContact CZ3-CE2 3.96Å; L771-F775 HydrophobicContact CD2-CE2 4.48Å; L771-F775 WeakPolarHBondContact O-CD2 3.49Å; L771-F775 PolarHBondContact O-N 3.12Å; F775-Y778 CarbonylContact O-C 3.58Å; F775-Y778 PolarHBondContact O-N 3.42Å; F775-G779 PolarHBondContact O-N 3.47Å; F775-T780 WeakPolarHBondContact CB-O 3.26Å; F775-T780 HydrophobicContact CD1-CG2 4.42Å; F775-T780 WeakPolarHBondContact CD1-O 3.48Å; F775-T780 PolarHBondContact O-N 3.44Å; F775-T780 VanDerWaalsContact O-N 3.11Å; F775-R782 HydrophobicContact CD1-CB 4.06Å; F775-R782 HydrophobicContact CE1-CB 3.82Å; F775-R782 HydrophobicContact CE1-CG 4.16Å; F775-R782 HydrophobicContact CE2-CB 4.38Å; F775-R782 HydrophobicContact CE2-CG 4.49Å; F775-R782 HydrophobicContact CG-CB 4.44Å; F775-R782 HydrophobicContact CZ-CB 4Å; F775-R782 HydrophobicContact CZ-CG 3.97Å
776	G	85.9	Confident	86	Confident	56 Å²	56	45.4 Å²	45.4	58%	0.577	25%	0.248	S	C	*	.	H	α-helix	trans	-60.1	-43.4	170.9	0	0	0	0	0	114.3	P772 E773 I774 Y778 G779	P772-G776 PolarHBondContact O-N 2.99Å; E773-G776 PolarHBondContact O-N 3.36Å; I774-G776 VanDerWaalsContact C-N 3.3Å; I774-G776 PolarHBondContact O-N 2.99Å; G776-Y778 PolarHBondContact O-N 3.5Å; G776-G779 PolarHBondContact O-N 2.86Å; G776-G779 VanDerWaalsContact O-N 3.08Å
777	I	86.8	Confident	85.7	Confident	35 Å²	35	50.4 Å²	50.4	18%	0.179	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-31.8	175.4	-72.6	161.5	0	0	0	111.7	K667 K669 F670 H673 E773 I774	K667-I777 HydrophobicContact CB-CG2 4.44Å; K667-I777 HydrophobicContact CD-CG2 4.06Å; K667-I777 PolarHBondContact NZ-O 3.04Å; K669-I777 HydrophobicContact CB-CD1 4.49Å; K669-I777 HydrophobicContact CB-CG1 4.45Å; K669-I777 HydrophobicContact CB-CG2 4.04Å; F670-I777 HydrophobicContact CB-CG2 4.22Å; H673-I777 HydrophobicContact CB-CD1 3.93Å; E773-I777 HydrophobicContact CG-CD1 4.45Å; E773-I777 VanDerWaalsContact O-CG1 3.27Å; E773-I777 WeakPolarHBondContact O-CG1 3.26Å; E773-I777 PolarHBondContact O-N 3.14Å; I774-I777 PolarHBondContact O-N 3.16Å
778	Y	85.5	Confident	85.3	Confident	18 Å²	18	52.3 Å²	52.3	7%	0.071	28%	0.28	C	S	.	.	H	α-helix	trans	-87.4	-14.7	175.7	-80.8	-88.1	0	0	0	114.3	L661 N663 A665 K667 F670 L698 I774 F775 G776	L661-Y778 HydrophobicContact CD1-CD1 4.36Å; L661-Y778 HydrophobicContact CD1-CD2 3.79Å; L661-Y778 HydrophobicContact CD1-CE2 4.02Å; L661-Y778 HydrophobicContact CD1-CG 3.98Å; L661-Y778 HydrophobicContact CD2-CD2 4.46Å; L661-Y778 HydrophobicContact CD2-CG 4.12Å; N663-Y778 VanDerWaalsContact O-CE1 3.28Å; N663-Y778 WeakPolarHBondContact O-CE1 3.46Å; A665-Y778 WeakPolarHBondContact O-CE1 3.37Å; A665-Y778 PolarHBondContact O-OH 2.97Å; K667-Y778 HydrophobicContact CD-CD1 4.33Å; K667-Y778 HydrophobicContact CD-CE1 4.09Å; K667-Y778 HydrophobicContact CG-CE1 4.02Å; K667-Y778 PolarHBondContact N-OH 3.17Å; F670-Y778 HydrophobicContact CB-CE2 3.9Å; F670-Y778 AromaticContact CD2-CE2 3.87Å; F670-Y778 HydrophobicContact CD2-CE2 3.87Å; F670-Y778 AromaticContact CG-CE2 3.97Å; F670-Y778 HydrophobicContact CG-CE2 3.97Å; L698-Y778 HydrophobicContact CD2-CE2 4.28Å; I774-Y778 WeakPolarHBondContact O-CD2 3.27Å; I774-Y778 PolarHBondContact O-N 3.02Å; F775-Y778 CarbonylContact O-C 3.58Å; F775-Y778 PolarHBondContact O-N 3.42Å; G776-Y778 PolarHBondContact O-N 3.5Å
779	G	81.5	Confident	85.3	Confident	66 Å²	66	52.5 Å²	52.5	68%	0.68	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	25.6	-173.9	0	0	0	0	0	112.6	F775 G776	F775-G779 PolarHBondContact O-N 3.47Å; G776-G779 PolarHBondContact O-N 2.86Å; G776-G779 VanDerWaalsContact O-N 3.08Å
780	T	78.1	Confident	85.3	Confident	26 Å²	26	53.1 Å²	53.1	16%	0.16	28%	0.283	C	S	.	.			trans	-110.3	120.9	-175.1	-56.6	0	0	0	0	109.5	L661 F775	L661-T780 HydrophobicContact CD2-CG2 4.34Å; F775-T780 WeakPolarHBondContact CB-O 3.26Å; F775-T780 HydrophobicContact CD1-CG2 4.42Å; F775-T780 WeakPolarHBondContact CD1-O 3.48Å; F775-T780 PolarHBondContact O-N 3.44Å; F775-T780 VanDerWaalsContact O-N 3.11Å
781	N	75	Confident	85.6	Confident	99 Å²	99	53.4 Å²	53.4	53%	0.529	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-81.1	119.8	171.3	-69.7	-6	0	0	0	109.1	K783 Y804	N781-K783 PolarHBondContact O-N 2.73Å; N781-Y804 HydrophobicContact CB-CD1 4.2Å; N781-Y804 HydrophobicContact CB-CE1 3.74Å; N781-Y804 HydrophobicContact CB-CE2 4.35Å; N781-Y804 VanDerWaalsContact ND2-CE2 3.34Å; N781-Y804 WeakPolarHBondContact ND2-CE2 3.47Å
782	R	75.4	Confident	85.7	Confident	54 Å²	54	53.8 Å²	53.8	20%	0.204	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64.1	125.8	176.8	-172.5	178.9	170.5	-137.1	-17.1	109.5	W750 F775 M784 E788	W750-R782 HydrophobicContact CH2-CB 4.26Å; F775-R782 HydrophobicContact CD1-CB 4.06Å; F775-R782 HydrophobicContact CE1-CB 3.82Å; F775-R782 HydrophobicContact CE1-CG 4.16Å; F775-R782 HydrophobicContact CE2-CB 4.38Å; F775-R782 HydrophobicContact CE2-CG 4.49Å; F775-R782 HydrophobicContact CG-CB 4.44Å; F775-R782 HydrophobicContact CZ-CB 4Å; F775-R782 HydrophobicContact CZ-CG 3.97Å; R782-M784 HydrophobicContact CG-CG 4.07Å; R782-M784 PolarHBondContact O-N 3.07Å; R782-E788 IonicContact CZ-OE2 3.23Å; R782-E788 IonicContact NH1-OE2 2.72Å; R782-E788 PolarHBondContact NH1-OE2 2.86Å; R782-E788 IonicContact NH2-OE1 3.81Å; R782-E788 PolarHBondContact NH2-OE1 3.17Å; R782-E788 IonicContact NH2-OE2 3.63Å; R782-E788 PolarHBondContact NH2-OE2 3.26Å
783	K	74.1	Confident	86	Confident	192 Å²	192	53 Å²	53	84%	0.835	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-71.2	121.2	168.8	-67.5	-177.8	179.8	179.4	0	108.1	N781	N781-K783 PolarHBondContact O-N 2.73Å
784	M	77.6	Confident	86.2	Confident	23 Å²	23	47.9 Å²	47.9	11%	0.113	26%	0.256	C	S	.	.			trans	-127.5	138.7	179.4	-71.1	169.6	55.4	0	0	108.4	R782 E788 W789	R782-M784 HydrophobicContact CG-CG 4.07Å; R782-M784 PolarHBondContact O-N 3.07Å; M784-E788 HydrophobicContact CB-CB 4.11Å; M784-E788 HydrophobicContact CE-CB 4.01Å; M784-W789 HydrophobicContact CB-CD2 4.48Å; M784-W789 HydrophobicContact CB-CH2 4.42Å; M784-W789 HydrophobicContact CB-CZ2 3.65Å; M784-W789 HydrophobicContact CE-CD2 4.09Å; M784-W789 HydrophobicContact CE-CE3 3.85Å; M784-W789 HydrophobicContact CE-CH2 3.88Å; M784-W789 HydrophobicContact CE-CZ2 4.12Å; M784-W789 HydrophobicContact CE-CZ3 3.72Å; M784-W789 HydrophobicContact CG-CZ2 4.22Å; M784-W789 PolarHBondContact O-NE1 3.07Å; M784-W789 HydrophobicContact SD-CH2 3.61Å; M784-W789 HydrophobicContact SD-CZ2 3.84Å; M784-W789 HydrophobicContact SD-CZ3 4.03Å
785	K	86.4	Confident	86.3	Confident	150 Å²	150	49.4 Å²	49.4	65%	0.652	26%	0.263	S	S	*	.			trans	-73.4	165.3	178.7	-54.4	-177.5	179.9	-179.2	0	111.4	E787 E788	K785-E787 VanDerWaalsContact C-N 3.29Å; K785-E787 WeakPolarHBondContact CB-OE2 3.48Å; K785-E787 PolarHBondContact O-N 3.33Å; K785-E788 VanDerWaalsContact O-CB 3.31Å; K785-E788 WeakPolarHBondContact O-CB 3.34Å; K785-E788 PolarHBondContact O-N 3.35Å
786	D	87.5	Confident	86.4	Confident	65 Å²	65	49.3 Å²	49.3	35%	0.348	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-60.7	-37	179.8	-80	15.6	0	0	0	112.5	E788 W789 A836 S837 L840	D786-E788 PolarHBondContact O-N 3.23Å; D786-W789 PolarHBondContact O-N 3.49Å; D786-W789 VanDerWaalsContact O-N 3.12Å; D786-A836 HydrophobicContact CB-CB 4.04Å; D786-S837 WeakPolarHBondContact OD2-CA 3.43Å; D786-S837 WeakPolarHBondContact OD2-CB 3.2Å; D786-S837 PolarHBondContact OD2-OG 3.26Å; D786-L840 HydrophobicContact CB-CD1 3.87Å; D786-L840 WeakPolarHBondContact O-CD1 3.49Å
787	E	89.7	Confident	86.7	Confident	105 Å²	105	47 Å²	47	49%	0.491	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.3	-33.6	176.2	-47.6	78.2	-163.8	0	0	111.1	K785 W789 L790 W791 A836	K785-E787 VanDerWaalsContact C-N 3.29Å; K785-E787 WeakPolarHBondContact CB-OE2 3.48Å; K785-E787 PolarHBondContact O-N 3.33Å; E787-W789 PolarHBondContact O-N 3.3Å; E787-L790 WeakPolarHBondContact O-CG 3.39Å; E787-L790 PolarHBondContact O-N 3.17Å; E787-W791 WeakPolarHBondContact O-CZ3 3.47Å; E787-A836 HydrophobicContact CB-CB 4.48Å; E787-A836 HydrophobicContact CG-CB 4.1Å
788	E	88.4	Confident	86.8	Confident	49 Å²	49	50.4 Å²	50.4	23%	0.229	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-69.3	-14.6	179.2	-90.1	-156.5	-101.3	0	0	113.9	K752 R782 M784 K785 D786	K752-E788 WeakPolarHBondContact CE-O 3.27Å; K752-E788 PolarHBondContact NZ-O 2.67Å; K752-E788 IonicContact NZ-OE2 3.62Å; K752-E788 PolarHBondContact NZ-OE2 3.48Å; R782-E788 IonicContact CZ-OE2 3.23Å; R782-E788 IonicContact NH1-OE2 2.72Å; R782-E788 PolarHBondContact NH1-OE2 2.86Å; R782-E788 IonicContact NH2-OE1 3.81Å; R782-E788 PolarHBondContact NH2-OE1 3.17Å; R782-E788 IonicContact NH2-OE2 3.63Å; R782-E788 PolarHBondContact NH2-OE2 3.26Å; M784-E788 HydrophobicContact CB-CB 4.11Å; M784-E788 HydrophobicContact CE-CB 4.01Å; K785-E788 VanDerWaalsContact O-CB 3.31Å; K785-E788 WeakPolarHBondContact O-CB 3.34Å; K785-E788 PolarHBondContact O-N 3.35Å; D786-E788 PolarHBondContact O-N 3.23Å
789	W	91.2	Very high	86.6	Confident	18 Å²	18	54.3 Å²	54.3	7%	0.068	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-95.6	-3.8	-180	-65.5	115	0	0	0	113.8	M784 D786 E787 W791 T792 L797 I803 Y804 L840	M784-W789 HydrophobicContact CB-CD2 4.48Å; M784-W789 HydrophobicContact CB-CH2 4.42Å; M784-W789 HydrophobicContact CB-CZ2 3.65Å; M784-W789 HydrophobicContact CE-CD2 4.09Å; M784-W789 HydrophobicContact CE-CE3 3.85Å; M784-W789 HydrophobicContact CE-CH2 3.88Å; M784-W789 HydrophobicContact CE-CZ2 4.12Å; M784-W789 HydrophobicContact CE-CZ3 3.72Å; M784-W789 HydrophobicContact CG-CZ2 4.22Å; M784-W789 PolarHBondContact O-NE1 3.07Å; M784-W789 HydrophobicContact SD-CH2 3.61Å; M784-W789 HydrophobicContact SD-CZ2 3.84Å; M784-W789 HydrophobicContact SD-CZ3 4.03Å; D786-W789 PolarHBondContact O-N 3.49Å; D786-W789 VanDerWaalsContact O-N 3.12Å; E787-W789 PolarHBondContact O-N 3.3Å; W789-W791 VanDerWaalsContact C-N 3.27Å; W789-W791 PolarHBondContact O-N 3.39Å; W789-T792 HydrophobicContact CE3-CG2 4.25Å; W789-T792 VanDerWaalsContact O-CB 3.26Å; W789-T792 WeakPolarHBondContact O-CB 3.26Å; W789-T792 PolarHBondContact O-N 3.46Å; W789-T792 PolarHBondContact O-OG1 3.28Å; W789-L797 HydrophobicContact CB-CD2 4.24Å; W789-I803 HydrophobicContact CD2-CD1 4.3Å; W789-I803 HydrophobicContact CE3-CD1 4.05Å; W789-I803 HydrophobicContact CE3-CG1 3.98Å; W789-I803 HydrophobicContact CH2-CD1 4.06Å; W789-I803 HydrophobicContact CH2-CG1 3.88Å; W789-I803 HydrophobicContact CH2-CG2 4.44Å; W789-I803 HydrophobicContact CZ2-CD1 4.29Å; W789-I803 HydrophobicContact CZ3-CD1 3.96Å; W789-I803 HydrophobicContact CZ3-CG1 3.55Å; W789-Y804 HydrophobicContact CH2-CE1 4.46Å; W789-L840 HydrophobicContact CB-CD1 3.92Å; W789-L840 HydrophobicContact CB-CD2 3.66Å; W789-L840 HydrophobicContact CB-CG 4.43Å
790	L	94.2	Very high	86	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.073	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.4	-174.4	-66.4	174.8	0	0	0	114.3	E787 T792 P828 Y829 A836 I839 L840	E787-L790 WeakPolarHBondContact O-CG 3.39Å; E787-L790 PolarHBondContact O-N 3.17Å; L790-T792 VanDerWaalsContact C-N 3.33Å; L790-P828 HydrophobicContact CB-CB 4.35Å; L790-P828 HydrophobicContact CB-CG 4.27Å; L790-P828 HydrophobicContact CD1-CG 3.9Å; L790-Y829 HydrophobicContact CB-CD2 4.46Å; L790-Y829 HydrophobicContact CB-CE2 4.42Å; L790-Y829 HydrophobicContact CD2-CD2 4.41Å; L790-Y829 WeakPolarHBondContact O-CE2 3.47Å; L790-A836 HydrophobicContact CD1-CB 4.14Å; L790-A836 HydrophobicContact CD2-CB 4.19Å; L790-A836 HydrophobicContact CG-CB 4.36Å; L790-I839 HydrophobicContact CD2-CB 3.93Å; L790-I839 HydrophobicContact CD2-CD1 4.26Å; L790-I839 HydrophobicContact CD2-CG2 3.71Å; L790-L840 HydrophobicContact CD2-CD2 4.42Å; L790-L840 HydrophobicContact CD2-CG 4.32Å
791	W	94.8	Very high	85.6	Confident	11 Å²	11	63.1 Å²	63.1	4%	0.042	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.8	174.3	-62.5	-92.6	0	0	0	113.5	L751 K752 S753 E787 W789 S814 I817 E821 P828	L751-W791 WeakPolarHBondContact O-CB 3.5Å; K752-W791 HydrophobicContact CB-CD2 3.92Å; K752-W791 HydrophobicContact CB-CE3 4.22Å; K752-W791 HydrophobicContact CB-CG 4.18Å; K752-W791 HydrophobicContact CD-CD2 4.27Å; K752-W791 HydrophobicContact CD-CE3 3.75Å; K752-W791 HydrophobicContact CD-CZ3 4.06Å; K752-W791 HydrophobicContact CG-CB 4.22Å; K752-W791 HydrophobicContact CG-CD2 3.78Å; K752-W791 HydrophobicContact CG-CE3 3.77Å; K752-W791 HydrophobicContact CG-CG 3.97Å; K752-W791 HydrophobicContact CG-CZ3 4.45Å; S753-W791 WeakPolarHBondContact OG-CZ2 3.49Å; E787-W791 WeakPolarHBondContact O-CZ3 3.47Å; W789-W791 VanDerWaalsContact C-N 3.27Å; W789-W791 PolarHBondContact O-N 3.39Å; W791-S814 VanDerWaalsContact O-CA 3.3Å; W791-S814 WeakPolarHBondContact O-CA 3.48Å; W791-S814 WeakPolarHBondContact O-CB 3.44Å; W791-S814 PolarHBondContact O-OG 3.31Å; W791-I817 HydrophobicContact CG-CG2 4.24Å; W791-E821 PolarHBondContact NE1-OE2 3.14Å; W791-P828 HydrophobicContact CH2-CG 3.89Å; W791-P828 HydrophobicContact CZ2-CB 4.31Å; W791-P828 HydrophobicContact CZ2-CG 3.66Å
792	T	93.3	Very high	85.5	Confident	12 Å²	12	61.2 Å²	61.2	7%	0.074	29%	0.286	C	S	.	.	S	Bend	trans	-79.2	132.9	-169.3	-57.6	0	0	0	0	111.3	W789 L790 H796 L797 I803	W789-T792 HydrophobicContact CE3-CG2 4.25Å; W789-T792 VanDerWaalsContact O-CB 3.26Å; W789-T792 WeakPolarHBondContact O-CB 3.26Å; W789-T792 PolarHBondContact O-N 3.46Å; W789-T792 PolarHBondContact O-OG1 3.28Å; L790-T792 VanDerWaalsContact C-N 3.33Å; T792-H796 HydrophobicContact CG2-CB 3.78Å; T792-L797 HydrophobicContact CG2-CD2 3.81Å; T792-L797 HydrophobicContact CG2-CG 3.94Å; T792-L797 WeakPolarHBondContact O-CD1 3.4Å; T792-I803 HydrophobicContact CG2-CG1 4.37Å
793	A	94.1	Very high	85.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.28	C	S	.	.			trans	-64.8	148	-174.3	0	0	0	0	0	112.9	E795 H796 L797 Y813	A793-E795 VanDerWaalsContact C-N 3.28Å; A793-E795 VanDerWaalsContact CB-CD 3.45Å; A793-E795 WeakPolarHBondContact CB-OE1 3.45Å; A793-E795 WeakPolarHBondContact CB-OE2 3.48Å; A793-E795 PolarHBondContact O-N 2.82Å; A793-H796 PolarHBondContact O-N 3.09Å; A793-L797 PolarHBondContact O-N 3.49Å; A793-L797 VanDerWaalsContact O-N 3.08Å; A793-Y813 HydrophobicContact CB-CD1 4.08Å; A793-Y813 HydrophobicContact CB-CG 3.88Å
794	P	92.9	Very high	85.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-35.3	-172.4	-22.8	31.2	0	0	0	114.2	L797 R798 Y813 V843	P794-L797 PolarHBondContact O-N 3.05Å; P794-R798 WeakPolarHBondContact O-CD 3.36Å; P794-R798 VanDerWaalsContact O-CG 3.26Å; P794-R798 WeakPolarHBondContact O-CG 3.37Å; P794-R798 PolarHBondContact O-N 3.39Å; P794-Y813 VanDerWaalsContact CD-CE2 3.45Å; P794-Y813 HydrophobicContact CG-CD2 4.43Å; P794-Y813 HydrophobicContact CG-CE2 3.79Å; P794-V843 HydrophobicContact CB-CG1 4.15Å; P794-V843 HydrophobicContact CG-CG1 3.94Å
795	E	91.6	Very high	85.8	Confident	31 Å²	31	55.3 Å²	55.3	15%	0.145	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-41.1	176.2	68.6	-77	-171	0	0	112.2	A793 R798 E799 P875 R878	A793-E795 VanDerWaalsContact C-N 3.28Å; A793-E795 VanDerWaalsContact CB-CD 3.45Å; A793-E795 WeakPolarHBondContact CB-OE1 3.45Å; A793-E795 WeakPolarHBondContact CB-OE2 3.48Å; A793-E795 PolarHBondContact O-N 2.82Å; E795-R798 PolarHBondContact O-N 2.77Å; E795-E799 PolarHBondContact O-N 3.34Å; E795-P875 HydrophobicContact CB-CG 4.28Å; E795-P875 HydrophobicContact CG-CG 3.83Å; E795-R878 IonicContact OE1-CZ 3.16Å; E795-R878 IonicContact OE1-NH1 3.25Å; E795-R878 PolarHBondContact OE1-NH1 3.5Å; E795-R878 IonicContact OE1-NH2 3.42Å; E795-R878 IonicContact OE2-CZ 2.72Å; E795-R878 IonicContact OE2-NH1 2.7Å; E795-R878 PolarHBondContact OE2-NH1 3.03Å; E795-R878 IonicContact OE2-NH2 2.69Å; E795-R878 PolarHBondContact OE2-NH2 3.2Å
796	H	91.4	Very high	85.8	Confident	11 Å²	11	48.4 Å²	48.4	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-71.9	-30.1	177.1	-58.5	154.9	0	0	0	112.1	T792 A793 R798 I803 S807	T792-H796 HydrophobicContact CG2-CB 3.78Å; A793-H796 PolarHBondContact O-N 3.09Å; H796-R798 VanDerWaalsContact C-N 3.26Å; H796-R798 PolarHBondContact O-N 3.48Å; H796-I803 VanDerWaalsContact O-CB 3.22Å; H796-I803 WeakPolarHBondContact O-CB 3.46Å; H796-I803 WeakPolarHBondContact O-CG1 3.3Å; H796-S807 PolarHBondContact CE1-N 3.08Å; H796-S807 PolarHBondContact CE1-OG 3.39Å; H796-S807 WeakPolarHBondContact NE2-CB 3.24Å; H796-S807 PolarHBondContact NE2-N 3.47Å; H796-S807 PolarHBondContact NE2-OG 3Å
797	L	90.5	Very high	86.1	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-74	-14.8	175.1	-68.5	177.2	0	0	0	113.6	W789 T792 A793 P794 I803 L840 V843 R844	W789-L797 HydrophobicContact CB-CD2 4.24Å; T792-L797 HydrophobicContact CG2-CD2 3.81Å; T792-L797 HydrophobicContact CG2-CG 3.94Å; T792-L797 WeakPolarHBondContact O-CD1 3.4Å; A793-L797 PolarHBondContact O-N 3.49Å; A793-L797 VanDerWaalsContact O-N 3.08Å; P794-L797 PolarHBondContact O-N 3.05Å; L797-I803 HydrophobicContact CD2-CD1 4.02Å; L797-I803 HydrophobicContact CD2-CG1 4.46Å; L797-L840 HydrophobicContact CD1-CD2 3.85Å; L797-L840 HydrophobicContact CD2-CD2 4.15Å; L797-V843 HydrophobicContact CD1-CB 4.47Å; L797-V843 HydrophobicContact CD1-CG1 3.84Å; L797-R844 HydrophobicContact CB-CG 3.77Å; L797-R844 PolarHBondContact O-NE 3.4Å
798	R	89.9	Confident	86.3	Confident	108 Å²	108	44.3 Å²	44.3	41%	0.408	22%	0.223	S	C	.	.	H	α-helix	trans	-95.6	-29.4	178.6	-71.2	166.3	-169.7	147.3	16.3	113	P794 E795 H796 V843 R844 E873	P794-R798 WeakPolarHBondContact O-CD 3.36Å; P794-R798 VanDerWaalsContact O-CG 3.26Å; P794-R798 WeakPolarHBondContact O-CG 3.37Å; P794-R798 PolarHBondContact O-N 3.39Å; E795-R798 PolarHBondContact O-N 2.77Å; H796-R798 VanDerWaalsContact C-N 3.26Å; H796-R798 PolarHBondContact O-N 3.48Å; R798-V843 PolarHBondContact NH2-O 3.47Å; R798-R844 PolarHBondContact NE-O 2.72Å; R798-E873 IonicContact CZ-OE1 3.68Å; R798-E873 IonicContact NH1-OE1 3.5Å; R798-E873 PolarHBondContact NH1-OE1 3.01Å; R798-E873 IonicContact NH2-OE1 2.68Å; R798-E873 PolarHBondContact NH2-OE1 3.29Å
799	E	80	Confident	86.6	Confident	100 Å²	100	44.8 Å²	44.8	47%	0.467	22%	0.224	S	C	.	.			trans	-109.1	108.1	-176.8	-67.2	176.1	179.4	0	0	111.1	E795 T801 N802 I803	E795-E799 PolarHBondContact O-N 3.34Å; E799-T801 PolarHBondContact O-N 2.85Å; E799-T801 VanDerWaalsContact O-N 3.09Å; E799-N802 HydrophobicContact CB-CB 4.2Å; E799-N802 PolarHBondContact O-N 3.47Å; E799-N802 PolarHBondContact OE2-ND2 2.78Å; E799-I803 PolarHBondContact O-N 3.48Å
800	E	69.1	Low	86.8	Confident	170 Å²	170	44 Å²	44	79%	0.794	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.9	-173.7	-63.3	-172.6	159.1	0	0	114.5	I803 Y804	E800-I803 WeakPolarHBondContact O-CG2 3.46Å; E800-Y804 WeakPolarHBondContact O-CD2 3.35Å; E800-Y804 WeakPolarHBondContact O-CE2 3.11Å
801	T	70.7	Confident	86.9	Confident	107 Å²	107	43.4 Å²	43.4	66%	0.656	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-35.8	177.8	50.2	0	0	0	0	112.6	E799	E799-T801 PolarHBondContact O-N 2.85Å; E799-T801 VanDerWaalsContact O-N 3.09Å
802	N	72.4	Confident	87	Confident	59 Å²	59	42.9 Å²	42.9	32%	0.316	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-21.5	-173.5	-77.5	-28.6	0	0	0	113	E799 Y804 T805 G806	E799-N802 HydrophobicContact CB-CB 4.2Å; E799-N802 PolarHBondContact O-N 3.47Å; E799-N802 PolarHBondContact OE2-ND2 2.78Å; N802-Y804 PolarHBondContact O-N 3.25Å; N802-Y804 VanDerWaalsContact O-N 3.16Å; N802-T805 PolarHBondContact O-N 3.19Å; N802-T805 VanDerWaalsContact O-N 3.15Å; N802-G806 PolarHBondContact O-N 3Å
803	I	74.3	Confident	87.2	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.087	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.2	174.9	-148.7	177.9	0	0	0	113.1	W789 T792 H796 L797 E799 E800	W789-I803 HydrophobicContact CD2-CD1 4.3Å; W789-I803 HydrophobicContact CE3-CD1 4.05Å; W789-I803 HydrophobicContact CE3-CG1 3.98Å; W789-I803 HydrophobicContact CH2-CD1 4.06Å; W789-I803 HydrophobicContact CH2-CG1 3.88Å; W789-I803 HydrophobicContact CH2-CG2 4.44Å; W789-I803 HydrophobicContact CZ2-CD1 4.29Å; W789-I803 HydrophobicContact CZ3-CD1 3.96Å; W789-I803 HydrophobicContact CZ3-CG1 3.55Å; T792-I803 HydrophobicContact CG2-CG1 4.37Å; H796-I803 VanDerWaalsContact O-CB 3.22Å; H796-I803 WeakPolarHBondContact O-CB 3.46Å; H796-I803 WeakPolarHBondContact O-CG1 3.3Å; L797-I803 HydrophobicContact CD2-CD1 4.02Å; L797-I803 HydrophobicContact CD2-CG1 4.46Å; E799-I803 PolarHBondContact O-N 3.48Å; E800-I803 WeakPolarHBondContact O-CG2 3.46Å
804	Y	77	Confident	87.3	Confident	72 Å²	72	42.6 Å²	42.6	28%	0.282	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-18.6	-178.1	-61.2	-65	0	0	0	114.4	W750 N781 W789 E800 N802	W750-Y804 WeakPolarHBondContact CZ2-O 3.27Å; N781-Y804 HydrophobicContact CB-CD1 4.2Å; N781-Y804 HydrophobicContact CB-CE1 3.74Å; N781-Y804 HydrophobicContact CB-CE2 4.35Å; N781-Y804 VanDerWaalsContact ND2-CE2 3.34Å; N781-Y804 WeakPolarHBondContact ND2-CE2 3.47Å; W789-Y804 HydrophobicContact CH2-CE1 4.46Å; E800-Y804 WeakPolarHBondContact O-CD2 3.35Å; E800-Y804 WeakPolarHBondContact O-CE2 3.11Å; N802-Y804 PolarHBondContact O-N 3.25Å; N802-Y804 VanDerWaalsContact O-N 3.16Å
805	T	81.1	Confident	87.5	Confident	55 Å²	55	42.6 Å²	42.6	34%	0.337	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-26.9	-175.7	81.1	0	0	0	0	114.1	K747 N802	K747-T805 WeakPolarHBondContact CE-O 3.42Å; K747-T805 PolarHBondContact NZ-O 3.14Å; K747-T805 PolarHBondContact NZ-OG1 3.49Å; N802-T805 PolarHBondContact O-N 3.19Å; N802-T805 VanDerWaalsContact O-N 3.15Å
806	G	87.7	Confident	87.7	Confident	5 Å²	5	41.1 Å²	41.1	5%	0.052	21%	0.208	C	C	.	.			trans	59.9	-174.9	-176.2	0	0	0	0	0	114.7	K747 N802	K747-G806 WeakPolarHBondContact CD-O 3.33Å; K747-G806 PolarHBondContact NZ-O 3.27Å; N802-G806 PolarHBondContact O-N 3Å
807	S	93	Very high	88	Confident	29 Å²	29	40.6 Å²	40.6	20%	0.203	21%	0.206	C	C	.	.			trans	-155.1	159	-177	74	0	0	0	0	111	H796 K809 G810 D811	H796-S807 PolarHBondContact CE1-N 3.08Å; H796-S807 PolarHBondContact CE1-OG 3.39Å; H796-S807 WeakPolarHBondContact NE2-CB 3.24Å; H796-S807 PolarHBondContact NE2-N 3.47Å; H796-S807 PolarHBondContact NE2-OG 3Å; S807-K809 VanDerWaalsContact C-N 3.27Å; S807-K809 PolarHBondContact O-N 2.99Å; S807-G810 WeakPolarHBondContact O-CA 3.45Å; S807-G810 PolarHBondContact O-N 3.29Å; S807-G810 PolarHBondContact OG-N 3.22Å; S807-G810 VanDerWaalsContact OG-N 3.13Å; S807-D811 PolarHBondContact O-N 3.25Å
808	P	94.5	Very high	88.2	Confident	56 Å²	56	40.3 Å²	40.3	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-57.4	-37.1	178	-24.9	34	0	0	0	113.4	H741 K747 D811 V812	H741-P808 PolarHBondContact CE1-O 3.34Å; H741-P808 VanDerWaalsContact CE1-O 3.29Å; K747-P808 HydrophobicContact CB-CG 4.23Å; P808-D811 PolarHBondContact O-N 3.45Å; P808-V812 PolarHBondContact O-N 3.33Å
809	K	95.6	Very high	88.5	Confident	59 Å²	59	35.1 Å²	35.1	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-75.9	-22.5	176.5	-67.1	-64.5	-170.5	175.8	0	113	S807 P875 R878	S807-K809 VanDerWaalsContact C-N 3.27Å; S807-K809 PolarHBondContact O-N 2.99Å; K809-P875 HydrophobicContact CB-CB 3.94Å; K809-P875 WeakPolarHBondContact CD-O 3.2Å; K809-R878 HydrophobicContact CD-CB 4.47Å; K809-R878 PolarHBondContact NZ-O 3.35Å; K809-R878 VanDerWaalsContact O-CD 3.3Å; K809-R878 WeakPolarHBondContact O-CD 3.43Å; K809-R878 PolarHBondContact O-NH1 3.32Å
810	G	94.9	Very high	89.2	Confident	2 Å²	2	30.4 Å²	30.4	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-75.6	-36.5	168.7	0	0	0	0	0	112.8	S807 V812 Y813 S814	S807-G810 WeakPolarHBondContact O-CA 3.45Å; S807-G810 PolarHBondContact O-N 3.29Å; S807-G810 PolarHBondContact OG-N 3.22Å; S807-G810 VanDerWaalsContact OG-N 3.13Å; G810-V812 PolarHBondContact O-N 3.33Å; G810-Y813 WeakPolarHBondContact O-CA 3.35Å; G810-Y813 WeakPolarHBondContact O-CB 3.25Å; G810-Y813 PolarHBondContact O-N 3Å; G810-S814 PolarHBondContact O-N 2.89Å; G810-S814 PolarHBondContact O-OG 3.18Å
811	D	96.2	Very high	90.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-35.6	173.7	-67.5	-27.7	0	0	0	111.7	M737 H741 K747 H748 G749 S807 P808 S814 F815 F881	M737-D811 HydrophobicContact CE-CB 3.75Å; M737-D811 WeakPolarHBondContact CE-OD2 3.43Å; H741-D811 IonicContact CD2-OD2 2.72Å; H741-D811 IonicContact CE1-OD2 3.16Å; H741-D811 IonicContact NE2-OD2 3.8Å; H741-D811 PolarHBondContact NE2-OD2 3.46Å; K747-D811 WeakPolarHBondContact CA-OD2 3.34Å; H748-D811 PolarHBondContact N-OD2 3.22Å; G749-D811 WeakPolarHBondContact CA-OD1 3.28Å; G749-D811 PolarHBondContact N-OD1 3.13Å; S807-D811 PolarHBondContact O-N 3.25Å; P808-D811 PolarHBondContact O-N 3.45Å; D811-S814 PolarHBondContact O-N 3.22Å; D811-F815 WeakPolarHBondContact O-CB 3.31Å; D811-F815 PolarHBondContact O-N 3.42Å; D811-F881 HydrophobicContact CB-CE2 4.05Å
812	V	97.1	Very high	91.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-38.4	175.1	174.6	0	0	0	0	112.1	P808 G810 S816 A870 R878 P879 F881 I884	P808-V812 PolarHBondContact O-N 3.33Å; G810-V812 PolarHBondContact O-N 3.33Å; V812-S816 PolarHBondContact O-N 3.16Å; V812-A870 HydrophobicContact CG1-CB 3.91Å; V812-R878 HydrophobicContact CG1-CB 4.01Å; V812-P879 WeakPolarHBondContact CG2-O 3.5Å; V812-F881 HydrophobicContact CB-CE2 4.37Å; V812-F881 HydrophobicContact CG2-CD2 3.71Å; V812-F881 HydrophobicContact CG2-CE2 3.51Å; V812-F881 HydrophobicContact CG2-CZ 4.19Å; V812-I884 HydrophobicContact CG1-CD1 4Å
813	Y	96.8	Very high	92.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.9	-48.8	172.2	-176.5	-81.3	0	0	0	110.2	A793 P794 G810 F815 S816 I817 Y829 W871	A793-Y813 HydrophobicContact CB-CD1 4.08Å; A793-Y813 HydrophobicContact CB-CG 3.88Å; P794-Y813 VanDerWaalsContact CD-CE2 3.45Å; P794-Y813 HydrophobicContact CG-CD2 4.43Å; P794-Y813 HydrophobicContact CG-CE2 3.79Å; G810-Y813 WeakPolarHBondContact O-CA 3.35Å; G810-Y813 WeakPolarHBondContact O-CB 3.25Å; G810-Y813 PolarHBondContact O-N 3Å; Y813-F815 VanDerWaalsContact C-N 3.31Å; Y813-F815 PolarHBondContact O-N 2.83Å; Y813-S816 PolarHBondContact O-N 2.87Å; Y813-S816 PolarHBondContact O-OG 2.89Å; Y813-I817 HydrophobicContact CD1-CG1 4.28Å; Y813-I817 HydrophobicContact CE1-CD1 4.21Å; Y813-I817 HydrophobicContact CE1-CG1 3.98Å; Y813-I817 PolarHBondContact O-N 3.01Å; Y813-Y829 PolarHBondContact OH-OH 3.49Å; Y813-W871 HydrophobicContact CD2-CB 3.77Å; Y813-W871 HydrophobicContact CE2-CB 3.69Å
814	S	96.6	Very high	93.3	Very high	5 Å²	5	15.5 Å²	15.5	4%	0.035	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-42.1	178.3	-56.3	0	0	0	0	112.4	L751 W791 G810 D811 S816 I817 V818	L751-S814 WeakPolarHBondContact O-CB 3.45Å; W791-S814 VanDerWaalsContact O-CA 3.3Å; W791-S814 WeakPolarHBondContact O-CA 3.48Å; W791-S814 WeakPolarHBondContact O-CB 3.44Å; W791-S814 PolarHBondContact O-OG 3.31Å; G810-S814 PolarHBondContact O-N 2.89Å; G810-S814 PolarHBondContact O-OG 3.18Å; D811-S814 PolarHBondContact O-N 3.22Å; S814-S816 VanDerWaalsContact C-N 3.33Å; S814-S816 PolarHBondContact O-N 3.35Å; S814-I817 PolarHBondContact O-N 2.89Å; S814-V818 WeakPolarHBondContact O-CG2 3.49Å; S814-V818 PolarHBondContact O-N 2.89Å; S814-V818 VanDerWaalsContact O-N 3.1Å
815	F	96.9	Very high	93.9	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-58.5	-40.1	173.4	163.4	-105.8	0	0	0	113	I730 V733 V734 L751 D811 Y813 I817 V818 M819 F866 F881 I884	I730-F815 HydrophobicContact CG2-CE2 4.2Å; I730-F815 HydrophobicContact CG2-CZ 3.91Å; V733-F815 HydrophobicContact CB-CD2 4.41Å; V733-F815 HydrophobicContact CB-CE2 4.34Å; V733-F815 HydrophobicContact CG1-CD2 3.71Å; V733-F815 HydrophobicContact CG1-CE2 4.14Å; V734-F815 HydrophobicContact CG2-CD2 4.36Å; V734-F815 HydrophobicContact CG2-CE1 3.96Å; V734-F815 HydrophobicContact CG2-CE2 3.51Å; V734-F815 HydrophobicContact CG2-CZ 3.26Å; L751-F815 HydrophobicContact CD2-CB 3.96Å; D811-F815 WeakPolarHBondContact O-CB 3.31Å; D811-F815 PolarHBondContact O-N 3.42Å; Y813-F815 VanDerWaalsContact C-N 3.31Å; Y813-F815 PolarHBondContact O-N 2.83Å; F815-I817 VanDerWaalsContact C-N 3.3Å; F815-I817 PolarHBondContact O-N 3.43Å; F815-V818 PolarHBondContact O-N 2.85Å; F815-M819 HydrophobicContact CE1-SD 4.37Å; F815-M819 HydrophobicContact CZ-SD 4.26Å; F815-M819 WeakPolarHBondContact O-CB 3.38Å; F815-M819 PolarHBondContact O-N 3.4Å; F815-F866 HydrophobicContact CE1-CE2 4.38Å; F815-F881 HydrophobicContact CB-CE1 3.81Å; F815-F881 HydrophobicContact CB-CZ 3.61Å; F815-F881 AromaticContact CD1-CE1 3.95Å; F815-F881 HydrophobicContact CD1-CE1 3.95Å; F815-F881 HydrophobicContact CD1-CZ 4.45Å; F815-F881 HydrophobicContact CD2-CE1 4.12Å; F815-F881 AromaticContact CG-CE1 3.67Å; F815-F881 HydrophobicContact CG-CE1 3.67Å; F815-F881 HydrophobicContact CG-CZ 4.02Å; F815-I884 HydrophobicContact CD1-CD1 4.22Å; F815-I884 HydrophobicContact CE1-CD1 4.21Å; F815-I884 HydrophobicContact CE1-CG2 4.09Å; F815-I884 HydrophobicContact CZ-CG2 4.48Å
816	S	95.9	Very high	94.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-27.9	178.5	69.8	0	0	0	0	113.9	V812 Y813 S814 Q820 W871	V812-S816 PolarHBondContact O-N 3.16Å; Y813-S816 PolarHBondContact O-N 2.87Å; Y813-S816 PolarHBondContact O-OG 2.89Å; S814-S816 VanDerWaalsContact C-N 3.33Å; S814-S816 PolarHBondContact O-N 3.35Å; S816-Q820 PolarHBondContact O-N 3.04Å; S816-W871 VanDerWaalsContact OG-CB 3.3Å; S816-W871 WeakPolarHBondContact OG-CB 3.2Å
817	I	96.6	Very high	94.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.7	-43.9	170.8	-55.7	-59.2	0	0	0	110.1	W791 Y813 S814 F815 M819 Q820 E821 P828 Y829 P852 W871	W791-I817 HydrophobicContact CG-CG2 4.24Å; Y813-I817 HydrophobicContact CD1-CG1 4.28Å; Y813-I817 HydrophobicContact CE1-CD1 4.21Å; Y813-I817 HydrophobicContact CE1-CG1 3.98Å; Y813-I817 PolarHBondContact O-N 3.01Å; S814-I817 PolarHBondContact O-N 2.89Å; F815-I817 VanDerWaalsContact C-N 3.3Å; F815-I817 PolarHBondContact O-N 3.43Å; I817-M819 VanDerWaalsContact C-N 3.28Å; I817-M819 PolarHBondContact O-N 3.03Å; I817-Q820 WeakPolarHBondContact O-CB 3.49Å; I817-Q820 PolarHBondContact O-N 2.9Å; I817-Q820 VanDerWaalsContact O-N 3.09Å; I817-E821 PolarHBondContact O-N 3.46Å; I817-P828 HydrophobicContact CG2-CB 3.59Å; I817-Y829 HydrophobicContact CD1-CE2 3.96Å; I817-P852 HydrophobicContact CD1-CG 3.71Å; I817-W871 HydrophobicContact CD1-CE3 4.05Å; I817-W871 HydrophobicContact CD1-CZ3 4.46Å
818	V	96.3	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-38.7	173.1	178	0	0	0	0	111.8	L710 S814 F815 E821 I822	L710-V818 HydrophobicContact CD1-CG1 4.14Å; S814-V818 WeakPolarHBondContact O-CG2 3.49Å; S814-V818 PolarHBondContact O-N 2.89Å; S814-V818 VanDerWaalsContact O-N 3.1Å; F815-V818 PolarHBondContact O-N 2.85Å; V818-E821 WeakPolarHBondContact CA-OE2 3.34Å; V818-E821 PolarHBondContact O-N 2.97Å; V818-I822 HydrophobicContact CG1-CD1 4.07Å; V818-I822 VanDerWaalsContact O-CG1 3.31Å; V818-I822 WeakPolarHBondContact O-CG1 3.47Å; V818-I822 PolarHBondContact O-N 2.92Å
819	M	95.2	Very high	94.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.5	-38.7	174.7	-177.9	175.2	169.3	0	0	111.8	I730 F815 I817 I822 I823 Y863 F866 M867	I730-M819 HydrophobicContact CD1-CG 4.01Å; I730-M819 HydrophobicContact CG1-CG 4.32Å; I730-M819 HydrophobicContact CG2-SD 4.45Å; F815-M819 HydrophobicContact CE1-SD 4.37Å; F815-M819 HydrophobicContact CZ-SD 4.26Å; F815-M819 WeakPolarHBondContact O-CB 3.38Å; F815-M819 PolarHBondContact O-N 3.4Å; I817-M819 VanDerWaalsContact C-N 3.28Å; I817-M819 PolarHBondContact O-N 3.03Å; M819-I822 PolarHBondContact O-N 3.47Å; M819-I823 HydrophobicContact CE-CD1 3.64Å; M819-I823 HydrophobicContact CG-CD1 3.77Å; M819-I823 HydrophobicContact CG-CG1 4.48Å; M819-I823 WeakPolarHBondContact O-CB 3.35Å; M819-I823 WeakPolarHBondContact O-CG1 3.49Å; M819-I823 PolarHBondContact O-N 2.98Å; M819-Y863 WeakPolarHBondContact CE-O 3.28Å; M819-F866 HydrophobicContact CE-CD2 4.47Å; M819-F866 HydrophobicContact CE-CE1 4.12Å; M819-F866 HydrophobicContact CE-CE2 3.61Å; M819-F866 HydrophobicContact CE-CZ 3.39Å; M819-F866 HydrophobicContact SD-CD2 4.3Å; M819-F866 HydrophobicContact SD-CE2 3.38Å; M819-F866 WeakPolarHBondContact SD-CE2 3.37Å; M819-F866 HydrophobicContact SD-CZ 3.73Å; M819-M867 HydrophobicContact CB-SD 4.38Å; M819-M867 HydrophobicContact CE-CB 3.93Å; M819-M867 HydrophobicContact CE-SD 4.43Å; M819-M867 HydrophobicContact CG-CG 4.38Å; M819-M867 HydrophobicContact CG-SD 4.01Å; M819-M867 HydrophobicContact SD-CB 3.87Å; M819-M867 HydrophobicContact SD-CG 4.07Å; M819-M867 HydrophobicContact SD-SD 4.34Å
820	Q	94.5	Very high	93.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-48.6	171.3	174.2	-100.5	-71.7	0	0	111.4	S816 I817 I822 I823 T824 E827 Y829 M831 P852 V854 M867 W871	S816-Q820 PolarHBondContact O-N 3.04Å; I817-Q820 WeakPolarHBondContact O-CB 3.49Å; I817-Q820 PolarHBondContact O-N 2.9Å; I817-Q820 VanDerWaalsContact O-N 3.09Å; Q820-I822 VanDerWaalsContact C-N 3.31Å; Q820-I822 PolarHBondContact O-N 3.32Å; Q820-I823 PolarHBondContact O-N 3.47Å; Q820-I823 VanDerWaalsContact O-N 3.13Å; Q820-T824 HydrophobicContact CG-CG2 3.93Å; Q820-T824 PolarHBondContact NE2-OG1 3.23Å; Q820-T824 PolarHBondContact O-N 2.83Å; Q820-T824 PolarHBondContact O-OG1 3.49Å; Q820-E827 PolarHBondContact NE2-O 3.41Å; Q820-Y829 VanDerWaalsContact OE1-N 3.14Å; Q820-M831 HydrophobicContact CG-CE 4.41Å; Q820-P852 HydrophobicContact CB-CB 4.41Å; Q820-P852 HydrophobicContact CG-CB 3.74Å; Q820-P852 HydrophobicContact CG-CG 4.39Å; Q820-V854 HydrophobicContact CB-CG2 4.14Å; Q820-V854 HydrophobicContact CG-CG2 3.55Å; Q820-M867 HydrophobicContact CB-SD 4.26Å; Q820-W871 HydrophobicContact CB-CZ3 4.16Å
821	E	94.8	Very high	93.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-56.8	-42.8	178.7	-66.2	171	87.3	0	0	112.1	I714 S753 W791 I817 V818 R825 D826 P828	I714-E821 HydrophobicContact CD1-CB 3.92Å; S753-E821 VanDerWaalsContact CB-OE1 3.24Å; S753-E821 WeakPolarHBondContact CB-OE1 3.48Å; S753-E821 WeakPolarHBondContact CB-OE2 3.46Å; S753-E821 VanDerWaalsContact OG-CD 3.3Å; S753-E821 PolarHBondContact OG-OE1 3.02Å; S753-E821 PolarHBondContact OG-OE2 3.27Å; W791-E821 PolarHBondContact NE1-OE2 3.14Å; I817-E821 PolarHBondContact O-N 3.46Å; V818-E821 WeakPolarHBondContact CA-OE2 3.34Å; V818-E821 PolarHBondContact O-N 2.97Å; E821-R825 WeakPolarHBondContact O-CA 3.5Å; E821-R825 PolarHBondContact O-N 3.12Å; E821-D826 WeakPolarHBondContact CA-O 3.49Å; E821-P828 HydrophobicContact CG-CB 4.26Å
822	I	93.6	Very high	92.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-65.1	-40.6	177.2	-64	163.8	0	0	0	111.4	L710 I714 K726 L729 I730 V818 M819 Q820	L710-I822 HydrophobicContact CD1-CD1 3.99Å; L710-I822 HydrophobicContact CD1-CG1 4.45Å; I714-I822 HydrophobicContact CD1-CG1 4.09Å; K726-I822 HydrophobicContact CB-CG2 3.84Å; K726-I822 WeakPolarHBondContact CD-O 3.17Å; K726-I822 VanDerWaalsContact CE-O 3.24Å; K726-I822 WeakPolarHBondContact CE-O 3.48Å; K726-I822 HydrophobicContact CG-CG2 3.88Å; L729-I822 HydrophobicContact CB-CD1 4.47Å; I730-I822 HydrophobicContact CD1-CG2 4.15Å; I730-I822 HydrophobicContact CG1-CB 4.41Å; I730-I822 HydrophobicContact CG1-CD1 3.79Å; I730-I822 HydrophobicContact CG1-CG2 4.08Å; V818-I822 HydrophobicContact CG1-CD1 4.07Å; V818-I822 VanDerWaalsContact O-CG1 3.31Å; V818-I822 WeakPolarHBondContact O-CG1 3.47Å; V818-I822 PolarHBondContact O-N 2.92Å; M819-I822 PolarHBondContact O-N 3.47Å; Q820-I822 VanDerWaalsContact C-N 3.31Å; Q820-I822 PolarHBondContact O-N 3.32Å
823	I	93.2	Very high	92.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-73.3	-52.5	-176.6	-69.1	171.5	0	0	0	111.3	W723 K726 I730 M819 Q820 R825 V854 E858 A859 M867	W723-I823 HydrophobicContact CZ3-CD1 4.47Å; W723-I823 HydrophobicContact CZ3-CG1 4.18Å; K726-I823 PolarHBondContact NZ-O 3.39Å; I730-I823 HydrophobicContact CD1-CD1 4.48Å; I730-I823 HydrophobicContact CD1-CG1 4.25Å; M819-I823 HydrophobicContact CE-CD1 3.64Å; M819-I823 HydrophobicContact CG-CD1 3.77Å; M819-I823 HydrophobicContact CG-CG1 4.48Å; M819-I823 WeakPolarHBondContact O-CB 3.35Å; M819-I823 WeakPolarHBondContact O-CG1 3.49Å; M819-I823 PolarHBondContact O-N 2.98Å; Q820-I823 PolarHBondContact O-N 3.47Å; Q820-I823 VanDerWaalsContact O-N 3.13Å; I823-R825 VanDerWaalsContact C-N 3.3Å; I823-R825 PolarHBondContact O-N 2.69Å; I823-V854 HydrophobicContact CB-CG1 4.46Å; I823-V854 HydrophobicContact CG2-CG1 3.57Å; I823-E858 HydrophobicContact CG2-CB 3.67Å; I823-A859 HydrophobicContact CD1-CB 3.97Å; I823-A859 HydrophobicContact CG1-CB 4.36Å; I823-A859 HydrophobicContact CG2-CB 3.79Å; I823-M867 HydrophobicContact CD1-SD 4.22Å
824	T	91	Very high	91.9	Very high	34 Å²	34	26.7 Å²	26.7	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-75.4	-20.5	-177.5	63	0	0	0	0	112.7	Q820 D826 V854 E858	Q820-T824 HydrophobicContact CG-CG2 3.93Å; Q820-T824 PolarHBondContact NE2-OG1 3.23Å; Q820-T824 PolarHBondContact O-N 2.83Å; Q820-T824 PolarHBondContact O-OG1 3.49Å; T824-D826 PolarHBondContact O-N 3.38Å; T824-D826 WeakPolarHBondContact OG1-CB 3.4Å; T824-D826 PolarHBondContact OG1-N 3.37Å; T824-D826 VanDerWaalsContact OG1-N 3.14Å; T824-V854 HydrophobicContact CG2-CB 4.45Å; T824-V854 HydrophobicContact CG2-CG1 4.17Å; T824-V854 HydrophobicContact CG2-CG2 3.84Å; T824-E858 VanDerWaalsContact CA-OE2 3.29Å; T824-E858 WeakPolarHBondContact CA-OE2 3.46Å; T824-E858 WeakPolarHBondContact CG2-OE2 3.15Å
825	R	90.1	Very high	91.7	Very high	63 Å²	63	30.4 Å²	30.4	24%	0.238	18%	0.182	C	C	.	.			trans	54.9	33.5	-164.4	-62.5	-171.4	64	154.5	9.1	113.7	I714 K716 I719 L721 E821 I823	I714-R825 HydrophobicContact CG2-CB 4.24Å; I714-R825 PolarHBondContact O-NE 2.9Å; I714-R825 PolarHBondContact O-NH2 3.03Å; K716-R825 PolarHBondContact O-NH2 3.31Å; I719-R825 PolarHBondContact O-NH1 3.08Å; I719-R825 PolarHBondContact O-NH2 3.42Å; L721-R825 HydrophobicContact CD1-CG 4.45Å; E821-R825 WeakPolarHBondContact O-CA 3.5Å; E821-R825 PolarHBondContact O-N 3.12Å; I823-R825 VanDerWaalsContact C-N 3.3Å; I823-R825 PolarHBondContact O-N 2.69Å
826	D	89	Confident	91.4	Very high	62 Å²	62	31 Å²	31	33%	0.332	19%	0.188	S	C	.	.	S	Bend	trans	-126.4	165	-175.1	-172.1	22.3	0	0	0	110.7	E821 T824 G830 M831	E821-D826 WeakPolarHBondContact CA-O 3.49Å; T824-D826 PolarHBondContact O-N 3.38Å; T824-D826 WeakPolarHBondContact OG1-CB 3.4Å; T824-D826 PolarHBondContact OG1-N 3.37Å; T824-D826 VanDerWaalsContact OG1-N 3.14Å; D826-G830 VanDerWaalsContact OD2-CA 3.3Å; D826-G830 WeakPolarHBondContact OD2-CA 3.37Å; D826-M831 PolarHBondContact OD2-N 2.88Å
827	E	89.8	Confident	91.2	Very high	106 Å²	106	34.2 Å²	34.2	50%	0.495	21%	0.21	S	C	.	.			trans	-61.7	155.5	174.8	-66.4	-149.4	127.9	0	0	111.5	K711 Q820 Y829 G830	K711-E827 WeakPolarHBondContact CE-OE1 3.3Å; K711-E827 IonicContact NZ-OE1 3.85Å; K711-E827 PolarHBondContact NZ-OE1 2.97Å; Q820-E827 PolarHBondContact NE2-O 3.41Å; E827-Y829 PolarHBondContact O-N 3.35Å; E827-Y829 VanDerWaalsContact O-N 3.14Å; E827-G830 PolarHBondContact O-N 3.17Å
828	P	91.8	Very high	91	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.058	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	122.2	178.5	26.5	-37.7	0	0	0	110	L790 W791 I817 E821 G830	L790-P828 HydrophobicContact CB-CB 4.35Å; L790-P828 HydrophobicContact CB-CG 4.27Å; L790-P828 HydrophobicContact CD1-CG 3.9Å; W791-P828 HydrophobicContact CH2-CG 3.89Å; W791-P828 HydrophobicContact CZ2-CB 4.31Å; W791-P828 HydrophobicContact CZ2-CG 3.66Å; I817-P828 HydrophobicContact CG2-CB 3.59Å; E821-P828 HydrophobicContact CG-CB 4.26Å; P828-G830 PolarHBondContact O-N 2.94Å
829	Y	92.9	Very high	90.9	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.012	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	12.5	-172.8	-52.4	-102.4	0	0	0	116.4	L790 Y813 I817 Q820 E827 M831 L832 I839 V843 P852	L790-Y829 HydrophobicContact CB-CD2 4.46Å; L790-Y829 HydrophobicContact CB-CE2 4.42Å; L790-Y829 HydrophobicContact CD2-CD2 4.41Å; L790-Y829 WeakPolarHBondContact O-CE2 3.47Å; Y813-Y829 PolarHBondContact OH-OH 3.49Å; I817-Y829 HydrophobicContact CD1-CE2 3.96Å; Q820-Y829 VanDerWaalsContact OE1-N 3.14Å; E827-Y829 PolarHBondContact O-N 3.35Å; E827-Y829 VanDerWaalsContact O-N 3.14Å; Y829-M831 VanDerWaalsContact C-CE 3.49Å; Y829-M831 VanDerWaalsContact C-N 3.33Å; Y829-M831 PolarHBondContact O-N 2.74Å; Y829-L832 HydrophobicContact CD1-CD1 3.89Å; Y829-L832 WeakPolarHBondContact O-CB 3.33Å; Y829-L832 PolarHBondContact O-N 3.16Å; Y829-I839 HydrophobicContact CD1-CG2 3.78Å; Y829-I839 HydrophobicContact CD2-CG2 3.88Å; Y829-I839 HydrophobicContact CE1-CG2 3.95Å; Y829-I839 HydrophobicContact CE2-CG2 4.08Å; Y829-I839 HydrophobicContact CG-CD1 4.36Å; Y829-I839 HydrophobicContact CG-CG2 3.74Å; Y829-V843 HydrophobicContact CE1-CG2 4.34Å; Y829-P852 HydrophobicContact CD1-CG 3.86Å; Y829-P852 HydrophobicContact CD2-CG 4.48Å; Y829-P852 HydrophobicContact CE1-CG 3.82Å; Y829-P852 HydrophobicContact CE2-CG 4.41Å; Y829-P852 HydrophobicContact CG-CG 4.21Å
830	G	84.8	Confident	90.7	Very high	31 Å²	31	38.8 Å²	38.8	32%	0.32	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-48.8	-45.6	179	0	0	0	0	0	114.9	D826 E827 P828 L832 G833	D826-G830 VanDerWaalsContact OD2-CA 3.3Å; D826-G830 WeakPolarHBondContact OD2-CA 3.37Å; E827-G830 PolarHBondContact O-N 3.17Å; P828-G830 PolarHBondContact O-N 2.94Å; G830-L832 PolarHBondContact O-N 2.98Å; G830-G833 PolarHBondContact O-N 2.9Å
831	M	86.1	Confident	90.5	Very high	64 Å²	64	41.9 Å²	41.9	32%	0.315	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-49.5	-14.7	172.1	79.6	-115.1	44.4	0	0	117.1	Q820 D826 Y829 P852 K853	Q820-M831 HydrophobicContact CG-CE 4.41Å; D826-M831 PolarHBondContact OD2-N 2.88Å; Y829-M831 VanDerWaalsContact C-CE 3.49Å; Y829-M831 VanDerWaalsContact C-N 3.33Å; Y829-M831 PolarHBondContact O-N 2.74Å; M831-P852 HydrophobicContact CE-CB 4.31Å; M831-P852 HydrophobicContact SD-CB 3.73Å; M831-K853 HydrophobicContact CG-CB 4.32Å; M831-K853 HydrophobicContact SD-CB 4.4Å; M831-K853 PolarHBondContact SD-N 3.14Å
832	L	86.5	Confident	90.4	Very high	49 Å²	49	46 Å²	46	26%	0.257	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-90.8	-17.7	179.1	-61.6	-174.3	0	0	0	113.1	Y829 G830 L834	Y829-L832 HydrophobicContact CD1-CD1 3.89Å; Y829-L832 WeakPolarHBondContact O-CB 3.33Å; Y829-L832 PolarHBondContact O-N 3.16Å; G830-L832 PolarHBondContact O-N 2.98Å; L832-L834 HydrophobicContact CB-CB 4.47Å; L832-L834 HydrophobicContact CB-CD1 4.09Å; L832-L834 HydrophobicContact CB-CG 4.12Å; L832-L834 HydrophobicContact CD1-CD1 4.29Å; L832-L834 PolarHBondContact O-N 3.31Å
833	G	84.4	Confident	90.4	Very high	75 Å²	75	46.1 Å²	46.1	77%	0.773	27%	0.272	S	S	*	.			trans	61.4	22.2	-177.2	0	0	0	0	0	114.6	G830	G830-G833 PolarHBondContact O-N 2.9Å
834	L	89.8	Confident	90.3	Very high	52 Å²	52	51 Å²	51	27%	0.272	29%	0.291	S	S	.	.			trans	-101.8	152	-179.1	-65.2	173.5	0	0	0	110.8	L832 E838 I839 K842	L832-L834 HydrophobicContact CB-CB 4.47Å; L832-L834 HydrophobicContact CB-CD1 4.09Å; L832-L834 HydrophobicContact CB-CG 4.12Å; L832-L834 HydrophobicContact CD1-CD1 4.29Å; L832-L834 PolarHBondContact O-N 3.31Å; L834-E838 HydrophobicContact CB-CB 4.32Å; L834-I839 HydrophobicContact CB-CD1 4.17Å; L834-I839 HydrophobicContact CB-CG1 3.72Å; L834-I839 HydrophobicContact CD1-CG1 4.32Å; L834-I839 WeakPolarHBondContact O-CD1 3.36Å; L834-K842 HydrophobicContact CD1-CD 3.97Å
835	T	92	Very high	90.1	Very high	83 Å²	83	57.9 Å²	57.9	51%	0.509	32%	0.317	S	S	.	.			trans	-69.3	156	171.3	64.7	0	0	0	0	111.6	S837 E838 I839	T835-S837 VanDerWaalsContact C-N 3.27Å; T835-S837 PolarHBondContact O-N 2.99Å; T835-E838 WeakPolarHBondContact CB-OE2 3.34Å; T835-E838 WeakPolarHBondContact CG2-OE2 3.31Å; T835-E838 PolarHBondContact N-OE2 2.93Å; T835-E838 PolarHBondContact O-N 3.47Å; T835-E838 VanDerWaalsContact O-N 3.13Å; T835-E838 VanDerWaalsContact OG1-CD 3.28Å; T835-E838 VanDerWaalsContact OG1-CG 3.23Å; T835-E838 WeakPolarHBondContact OG1-CG 3.41Å; T835-E838 PolarHBondContact OG1-N 3.41Å; T835-E838 PolarHBondContact OG1-OE2 3.35Å; T835-I839 WeakPolarHBondContact O-CG1 3.36Å; T835-I839 PolarHBondContact O-N 3.02Å
836	A	91.4	Very high	89.8	Confident	15 Å²	15	57.1 Å²	57.1	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-55.8	-40.9	179.8	0	0	0	0	0	112.7	D786 E787 L790 I839 L840	D786-A836 HydrophobicContact CB-CB 4.04Å; E787-A836 HydrophobicContact CB-CB 4.48Å; E787-A836 HydrophobicContact CG-CB 4.1Å; L790-A836 HydrophobicContact CD1-CB 4.14Å; L790-A836 HydrophobicContact CD2-CB 4.19Å; L790-A836 HydrophobicContact CG-CB 4.36Å; A836-I839 PolarHBondContact O-N 3.18Å; A836-L840 WeakPolarHBondContact O-CB 3.34Å; A836-L840 VanDerWaalsContact O-CG 3.27Å; A836-L840 WeakPolarHBondContact O-CG 3.38Å; A836-L840 PolarHBondContact O-N 3.27Å
837	S	91.8	Very high	89.2	Confident	67 Å²	67	59.9 Å²	59.9	47%	0.469	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-41.4	178.2	-142.4	0	0	0	0	112.5	D786 T835 L840 S841	D786-S837 WeakPolarHBondContact OD2-CA 3.43Å; D786-S837 WeakPolarHBondContact OD2-CB 3.2Å; D786-S837 PolarHBondContact OD2-OG 3.26Å; T835-S837 VanDerWaalsContact C-N 3.27Å; T835-S837 PolarHBondContact O-N 2.99Å; S837-L840 PolarHBondContact O-N 3.17Å; S837-S841 WeakPolarHBondContact O-CB 3.32Å; S837-S841 PolarHBondContact O-N 3.35Å
838	E	92.4	Very high	89	Confident	84 Å²	84	60.3 Å²	60.3	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-43.4	174.4	-71.2	169	121.6	0	0	111.7	L834 T835 S841 K842	L834-E838 HydrophobicContact CB-CB 4.32Å; T835-E838 WeakPolarHBondContact CB-OE2 3.34Å; T835-E838 WeakPolarHBondContact CG2-OE2 3.31Å; T835-E838 PolarHBondContact N-OE2 2.93Å; T835-E838 PolarHBondContact O-N 3.47Å; T835-E838 VanDerWaalsContact O-N 3.13Å; T835-E838 VanDerWaalsContact OG1-CD 3.28Å; T835-E838 VanDerWaalsContact OG1-CG 3.23Å; T835-E838 WeakPolarHBondContact OG1-CG 3.41Å; T835-E838 PolarHBondContact OG1-N 3.41Å; T835-E838 PolarHBondContact OG1-OE2 3.35Å; E838-S841 PolarHBondContact O-N 3.19Å; E838-S841 PolarHBondContact O-OG 3.2Å; E838-K842 WeakPolarHBondContact O-CG 3.38Å; E838-K842 PolarHBondContact O-N 3.39Å; E838-K842 VanDerWaalsContact O-N 3.11Å
839	I	92.7	Very high	88.8	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-50.8	175.6	-64.9	156.1	0	0	0	110	L790 Y829 L834 T835 A836 S841 K842 V843	L790-I839 HydrophobicContact CD2-CB 3.93Å; L790-I839 HydrophobicContact CD2-CD1 4.26Å; L790-I839 HydrophobicContact CD2-CG2 3.71Å; Y829-I839 HydrophobicContact CD1-CG2 3.78Å; Y829-I839 HydrophobicContact CD2-CG2 3.88Å; Y829-I839 HydrophobicContact CE1-CG2 3.95Å; Y829-I839 HydrophobicContact CE2-CG2 4.08Å; Y829-I839 HydrophobicContact CG-CD1 4.36Å; Y829-I839 HydrophobicContact CG-CG2 3.74Å; L834-I839 HydrophobicContact CB-CD1 4.17Å; L834-I839 HydrophobicContact CB-CG1 3.72Å; L834-I839 HydrophobicContact CD1-CG1 4.32Å; L834-I839 WeakPolarHBondContact O-CD1 3.36Å; T835-I839 WeakPolarHBondContact O-CG1 3.36Å; T835-I839 PolarHBondContact O-N 3.02Å; A836-I839 PolarHBondContact O-N 3.18Å; I839-S841 VanDerWaalsContact C-N 3.31Å; I839-S841 PolarHBondContact O-N 3.48Å; I839-K842 PolarHBondContact O-N 3.12Å; I839-K842 VanDerWaalsContact O-N 3.16Å; I839-V843 HydrophobicContact CG2-CG2 4.19Å; I839-V843 WeakPolarHBondContact O-CG2 3.38Å; I839-V843 PolarHBondContact O-N 3.44Å
840	L	92.2	Very high	88.7	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-57.9	-41.7	177.8	-70.8	172.9	0	0	0	112.3	D786 W789 L790 L797 A836 S837 K842 V843 R844	D786-L840 HydrophobicContact CB-CD1 3.87Å; D786-L840 WeakPolarHBondContact O-CD1 3.49Å; W789-L840 HydrophobicContact CB-CD1 3.92Å; W789-L840 HydrophobicContact CB-CD2 3.66Å; W789-L840 HydrophobicContact CB-CG 4.43Å; L790-L840 HydrophobicContact CD2-CD2 4.42Å; L790-L840 HydrophobicContact CD2-CG 4.32Å; L797-L840 HydrophobicContact CD1-CD2 3.85Å; L797-L840 HydrophobicContact CD2-CD2 4.15Å; A836-L840 WeakPolarHBondContact O-CB 3.34Å; A836-L840 VanDerWaalsContact O-CG 3.27Å; A836-L840 WeakPolarHBondContact O-CG 3.38Å; A836-L840 PolarHBondContact O-N 3.27Å; S837-L840 PolarHBondContact O-N 3.17Å; L840-K842 VanDerWaalsContact C-N 3.35Å; L840-K842 PolarHBondContact O-N 3.03Å; L840-V843 PolarHBondContact O-N 3.12Å; L840-R844 WeakPolarHBondContact O-CB 3.38Å; L840-R844 VanDerWaalsContact O-CG 3.27Å; L840-R844 WeakPolarHBondContact O-CG 3.44Å; L840-R844 PolarHBondContact O-N 3.16Å
841	S	91.3	Very high	89	Confident	66 Å²	66	65.4 Å²	65.4	46%	0.462	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.3	75.8	0	0	0	0	112.4	S837 E838 I839 R844 K845	S837-S841 WeakPolarHBondContact O-CB 3.32Å; S837-S841 PolarHBondContact O-N 3.35Å; E838-S841 PolarHBondContact O-N 3.19Å; E838-S841 PolarHBondContact O-OG 3.2Å; I839-S841 VanDerWaalsContact C-N 3.31Å; I839-S841 PolarHBondContact O-N 3.48Å; S841-R844 PolarHBondContact O-N 3.4Å; S841-K845 PolarHBondContact O-N 2.92Å; S841-K845 VanDerWaalsContact O-N 3.15Å
842	K	92.3	Very high	89.2	Confident	90 Å²	90	62.7 Å²	62.7	39%	0.391	36%	0.358	S	S	.	.	H	α-helix	trans	-73.3	-33.3	178.9	-66.6	173.3	-176.9	175	0	112.4	L834 E838 I839 L840 C850	L834-K842 HydrophobicContact CD1-CD 3.97Å; E838-K842 WeakPolarHBondContact O-CG 3.38Å; E838-K842 PolarHBondContact O-N 3.39Å; E838-K842 VanDerWaalsContact O-N 3.11Å; I839-K842 PolarHBondContact O-N 3.12Å; I839-K842 VanDerWaalsContact O-N 3.16Å; L840-K842 VanDerWaalsContact C-N 3.35Å; L840-K842 PolarHBondContact O-N 3.03Å; K842-C850 HydrophobicContact CB-CB 3.71Å
843	V	92.5	Very high	89.2	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.024	38%	0.38	C	S	.	.	H	α-helix	trans	-71.3	-39.5	173.6	174.7	0	0	0	0	111.2	P794 L797 R798 Y829 I839 L840 C850	P794-V843 HydrophobicContact CB-CG1 4.15Å; P794-V843 HydrophobicContact CG-CG1 3.94Å; L797-V843 HydrophobicContact CD1-CB 4.47Å; L797-V843 HydrophobicContact CD1-CG1 3.84Å; R798-V843 PolarHBondContact NH2-O 3.47Å; Y829-V843 HydrophobicContact CE1-CG2 4.34Å; I839-V843 HydrophobicContact CG2-CG2 4.19Å; I839-V843 WeakPolarHBondContact O-CG2 3.38Å; I839-V843 PolarHBondContact O-N 3.44Å; L840-V843 PolarHBondContact O-N 3.12Å; V843-C850 HydrophobicContact CG2-CB 3.92Å
844	R	91	Very high	89.3	Confident	104 Å²	104	65.6 Å²	65.6	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-39	176.1	-77.7	178.9	-170	-148.7	6.8	112.7	L797 R798 L840 S841	L797-R844 HydrophobicContact CB-CG 3.77Å; L797-R844 PolarHBondContact O-NE 3.4Å; R798-R844 PolarHBondContact NE-O 2.72Å; L840-R844 WeakPolarHBondContact O-CB 3.38Å; L840-R844 VanDerWaalsContact O-CG 3.27Å; L840-R844 WeakPolarHBondContact O-CG 3.44Å; L840-R844 PolarHBondContact O-N 3.16Å; S841-R844 PolarHBondContact O-N 3.4Å
845	K	88.1	Confident	89	Confident	177 Å²	177	65.2 Å²	65.2	77%	0.77	35%	0.351	S	S	*	.	S	Bend	trans	-127.2	80.2	-173.4	-65.7	-177.9	178.9	179.8	0	113	S841	S841-K845 PolarHBondContact O-N 2.92Å; S841-K845 VanDerWaalsContact O-N 3.15Å
846	P	82.4	Confident	88.6	Confident	47 Å²	47	68.4 Å²	68.4	31%	0.305	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.6	158.8	163.7	32.7	-35.6	0	0	0	110.7	L849	P846-L849 HydrophobicContact CB-CD2 3.82Å; P846-L849 HydrophobicContact CB-CG 4.43Å; P846-L849 HydrophobicContact CG-CD2 4.34Å
847	P	76.7	Confident	88.2	Confident	121 Å²	121	73.1 Å²	73.1	79%	0.786	39%	0.392	S	S	*	.	S	Bend	cis	-89.3	163.2	-0.4	36.1	-35.3	0	0	0	113.7
848	P	85.3	Confident	87.8	Confident	114 Å²	114	72.9 Å²	72.9	74%	0.74	38%	0.384	S	S	*	.	S	Bend	cis	-74.3	155.9	-3.7	31.6	-35.6	0	0	0	112.4	C850	P848-C850 PolarHBondContact O-N 3.18Å; P848-C850 VanDerWaalsContact O-N 3.16Å
849	L	88.5	Confident	87.5	Confident	105 Å²	105	69.1 Å²	69.1	55%	0.55	37%	0.367	S	S	.	.			trans	-66.9	112.5	175.5	-72.4	167.6	0	0	0	110.4	P846 E873	P846-L849 HydrophobicContact CB-CD2 3.82Å; P846-L849 HydrophobicContact CB-CG 4.43Å; P846-L849 HydrophobicContact CG-CD2 4.34Å; L849-E873 HydrophobicContact CD2-CB 4.08Å; L849-E873 HydrophobicContact CD2-CG 3.84Å; L849-E873 WeakPolarHBondContact CD2-OE2 3.47Å
850	C	90.7	Very high	87.4	Confident	13 Å²	13	71.4 Å²	71.4	9%	0.088	38%	0.382	C	S	.	.			trans	-80	119.7	171.1	-168	0	0	0	0	110	K842 V843 P848	K842-C850 HydrophobicContact CB-CB 3.71Å; V843-C850 HydrophobicContact CG2-CB 3.92Å; P848-C850 PolarHBondContact O-N 3.18Å; P848-C850 VanDerWaalsContact O-N 3.16Å
851	R	91.4	Very high	87.2	Confident	33 Å²	33	75.2 Å²	75.2	13%	0.125	41%	0.407	C	S	.	.			trans	-146.6	153.7	175.1	-70.1	-59.1	-175.1	-78.1	-2.7	109.9	W871 E873	R851-W871 PolarHBondContact NE-O 3.25Å; R851-W871 PolarHBondContact NH2-O 3.39Å; R851-E873 IonicContact CZ-OE2 2.65Å; R851-E873 IonicContact NH1-OE2 3.83Å; R851-E873 PolarHBondContact NH1-OE2 3.45Å; R851-E873 VanDerWaalsContact NH2-CA 3.34Å; R851-E873 IonicContact NH2-OE2 3.7Å; R851-E873 PolarHBondContact NH2-OE2 3.46Å
852	P	89.9	Confident	87.1	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.039	40%	0.4	C	S	.	.			trans	-60.6	147.1	170.9	-19.5	32.6	0	0	0	111.7	I817 Q820 Y829 M831 W871	I817-P852 HydrophobicContact CD1-CG 3.71Å; Q820-P852 HydrophobicContact CB-CB 4.41Å; Q820-P852 HydrophobicContact CG-CB 3.74Å; Q820-P852 HydrophobicContact CG-CG 4.39Å; Y829-P852 HydrophobicContact CD1-CG 3.86Å; Y829-P852 HydrophobicContact CD2-CG 4.48Å; Y829-P852 HydrophobicContact CE1-CG 3.82Å; Y829-P852 HydrophobicContact CE2-CG 4.41Å; Y829-P852 HydrophobicContact CG-CG 4.21Å; M831-P852 HydrophobicContact CE-CB 4.31Å; M831-P852 HydrophobicContact SD-CB 3.73Å; P852-W871 HydrophobicContact CB-CH2 3.76Å; P852-W871 HydrophobicContact CB-CZ3 3.84Å; P852-W871 HydrophobicContact CG-CE3 4.23Å; P852-W871 HydrophobicContact CG-CH2 4.04Å; P852-W871 HydrophobicContact CG-CZ3 3.65Å; P852-W871 WeakPolarHBondContact O-CH2 3.46Å; P852-W871 WeakPolarHBondContact O-CZ2 3.35Å
853	K	85.8	Confident	87	Confident	163 Å²	163	70.4 Å²	70.4	71%	0.709	39%	0.385	S	S	*	.			trans	-110.9	113.5	173.4	-64.9	179.2	-179.3	176.7	0	108.8	M831	M831-K853 HydrophobicContact CG-CB 4.32Å; M831-K853 HydrophobicContact SD-CB 4.4Å; M831-K853 PolarHBondContact SD-N 3.14Å
854	V	87.1	Confident	87	Confident	22 Å²	22	70.5 Å²	70.5	13%	0.133	39%	0.385	C	S	.	.			trans	-107.5	133.7	175.6	-178	0	0	0	0	108.2	Q820 I823 T824 E858 L864 M867	Q820-V854 HydrophobicContact CB-CG2 4.14Å; Q820-V854 HydrophobicContact CG-CG2 3.55Å; I823-V854 HydrophobicContact CB-CG1 4.46Å; I823-V854 HydrophobicContact CG2-CG1 3.57Å; T824-V854 HydrophobicContact CG2-CB 4.45Å; T824-V854 HydrophobicContact CG2-CG1 4.17Å; T824-V854 HydrophobicContact CG2-CG2 3.84Å; V854-E858 HydrophobicContact CG1-CB 4.3Å; V854-E858 WeakPolarHBondContact CG1-OE2 3.32Å; V854-L864 HydrophobicContact CB-CD2 3.92Å; V854-L864 HydrophobicContact CG1-CD2 3.53Å; V854-M867 HydrophobicContact CB-CE 3.87Å; V854-M867 HydrophobicContact CG1-CE 4.38Å; V854-M867 HydrophobicContact CG2-CE 3.61Å; V854-M867 HydrophobicContact CG2-SD 4.44Å
855	S	84.6	Confident	86.9	Confident	44 Å²	44	70.8 Å²	70.8	31%	0.308	39%	0.391	S	S	.	.			trans	-73	154.7	-177.9	77.4	0	0	0	0	111.5	S857 E858 L864	S855-S857 PolarHBondContact O-N 2.92Å; S855-S857 PolarHBondContact OG-OG 3.04Å; S855-E858 WeakPolarHBondContact CB-OE1 3.26Å; S855-E858 PolarHBondContact N-OE1 2.84Å; S855-E858 VanDerWaalsContact N-OE1 3.15Å; S855-E858 PolarHBondContact O-N 3.44Å; S855-E858 VanDerWaalsContact OG-CD 3.25Å; S855-E858 VanDerWaalsContact OG-CG 3.31Å; S855-E858 WeakPolarHBondContact OG-CG 3.49Å; S855-E858 PolarHBondContact OG-OE1 3.38Å; S855-L864 WeakPolarHBondContact O-CD1 3.36Å
856	Q	81.7	Confident	86.9	Confident	151 Å²	151	62.5 Å²	62.5	71%	0.706	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.9	176.7	-64.4	-171.7	18.6	0	0	113.4	L864	Q856-L864 HydrophobicContact CG-CD1 4.36Å
857	S	83.9	Confident	87.4	Confident	113 Å²	113	60.3 Å²	60.3	79%	0.79	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-18	176.9	35.3	0	0	0	0	114.3	S855	S855-S857 PolarHBondContact O-N 2.92Å; S855-S857 PolarHBondContact OG-OG 3.04Å
858	E	83.5	Confident	88.2	Confident	63 Å²	63	60.1 Å²	60.1	29%	0.294	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-23	-174.5	-70.7	158	-121.8	0	0	114.1	I823 T824 V854 S855	I823-E858 HydrophobicContact CG2-CB 3.67Å; T824-E858 VanDerWaalsContact CA-OE2 3.29Å; T824-E858 WeakPolarHBondContact CA-OE2 3.46Å; T824-E858 WeakPolarHBondContact CG2-OE2 3.15Å; V854-E858 HydrophobicContact CG1-CB 4.3Å; V854-E858 WeakPolarHBondContact CG1-OE2 3.32Å; S855-E858 WeakPolarHBondContact CB-OE1 3.26Å; S855-E858 PolarHBondContact N-OE1 2.84Å; S855-E858 VanDerWaalsContact N-OE1 3.15Å; S855-E858 PolarHBondContact O-N 3.44Å; S855-E858 VanDerWaalsContact OG-CD 3.25Å; S855-E858 VanDerWaalsContact OG-CG 3.31Å; S855-E858 WeakPolarHBondContact OG-CG 3.49Å; S855-E858 PolarHBondContact OG-OE1 3.38Å
859	A	87.1	Confident	88.5	Confident	5 Å²	5	58.9 Å²	58.9	4%	0.041	31%	0.308	C	S	.	.	S	Bend	trans	-152.4	147.6	-179.3	0	0	0	0	0	110.8	W723 I823 L864	W723-A859 HydrophobicContact CE3-CB 4.19Å; W723-A859 HydrophobicContact CH2-CB 3.67Å; W723-A859 HydrophobicContact CZ3-CB 3.34Å; I823-A859 HydrophobicContact CD1-CB 3.97Å; I823-A859 HydrophobicContact CG1-CB 4.36Å; I823-A859 HydrophobicContact CG2-CB 3.79Å; A859-L864 HydrophobicContact CB-CD2 3.89Å; A859-L864 HydrophobicContact CB-CG 4.08Å
860	P	88.9	Confident	88.8	Confident	52 Å²	52	53.9 Å²	53.9	34%	0.338	28%	0.282	S	S	.	.			trans	-61.2	143.1	179	-16	27.8	0	0	0	111.3	W723 A862 Y863	W723-P860 HydrophobicContact CD2-CG 4.37Å; W723-P860 VanDerWaalsContact CE2-CD 3.43Å; W723-P860 VanDerWaalsContact CZ2-CD 3.42Å; W723-P860 HydrophobicContact CZ2-CG 4.1Å; P860-A862 VanDerWaalsContact C-N 3.26Å; P860-A862 PolarHBondContact O-N 3.18Å; P860-Y863 HydrophobicContact CB-CD2 3.8Å; P860-Y863 HydrophobicContact CB-CE2 4.07Å; P860-Y863 HydrophobicContact CG-CD2 3.87Å; P860-Y863 HydrophobicContact CG-CE2 3.96Å; P860-Y863 PolarHBondContact O-N 3.15Å
861	P	88.7	Confident	89	Confident	87 Å²	87	54.1 Å²	54.1	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-53.4	-35.4	-167.3	-31.3	36	0	0	0	115.9	Y863 L864 E865	P861-Y863 VanDerWaalsContact C-N 3.29Å; P861-Y863 PolarHBondContact O-N 2.99Å; P861-L864 PolarHBondContact O-N 3Å; P861-E865 PolarHBondContact O-N 3.03Å
862	A	89.1	Confident	89.1	Confident	38 Å²	38	53.5 Å²	53.5	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-33.6	178.4	0	0	0	0	0	113.5	P860 E865 F866 L891	P860-A862 VanDerWaalsContact C-N 3.26Å; P860-A862 PolarHBondContact O-N 3.18Å; A862-E865 PolarHBondContact O-N 2.87Å; A862-F866 WeakPolarHBondContact O-CD1 3.45Å; A862-F866 PolarHBondContact O-N 3.4Å; A862-L891 HydrophobicContact CB-CD1 4.12Å; A862-L891 HydrophobicContact CB-CD2 3.62Å
863	Y	90.8	Very high	89.2	Confident	17 Å²	17	55.5 Å²	55.5	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-72.9	-39.4	177.4	-62.3	-95.6	0	0	0	111	W723 L727 M819 P860 P861 E865 F866 M867 L888 L891 N892	W723-Y863 HydrophobicContact CH2-CD1 4.02Å; W723-Y863 HydrophobicContact CH2-CD2 4.17Å; W723-Y863 AromaticContact CH2-CG 3.78Å; W723-Y863 HydrophobicContact CH2-CG 3.78Å; W723-Y863 AromaticContact CZ2-CD1 3.65Å; W723-Y863 HydrophobicContact CZ2-CD1 3.65Å; W723-Y863 AromaticContact CZ2-CD2 3.59Å; W723-Y863 HydrophobicContact CZ2-CD2 3.59Å; W723-Y863 AromaticContact CZ2-CE1 3.86Å; W723-Y863 HydrophobicContact CZ2-CE1 3.86Å; W723-Y863 AromaticContact CZ2-CE2 3.78Å; W723-Y863 HydrophobicContact CZ2-CE2 3.78Å; W723-Y863 AromaticContact CZ2-CG 3.54Å; W723-Y863 HydrophobicContact CZ2-CG 3.54Å; W723-Y863 AromaticContact CZ2-CZ 3.9Å; L727-Y863 HydrophobicContact CD1-CD1 4.16Å; L727-Y863 HydrophobicContact CD1-CE1 3.49Å; L727-Y863 VanDerWaalsContact CD1-CE1 3.49Å; L727-Y863 HydrophobicContact CD2-CE1 4.23Å; M819-Y863 WeakPolarHBondContact CE-O 3.28Å; P860-Y863 HydrophobicContact CB-CD2 3.8Å; P860-Y863 HydrophobicContact CB-CE2 4.07Å; P860-Y863 HydrophobicContact CG-CD2 3.87Å; P860-Y863 HydrophobicContact CG-CE2 3.96Å; P860-Y863 PolarHBondContact O-N 3.15Å; P861-Y863 VanDerWaalsContact C-N 3.29Å; P861-Y863 PolarHBondContact O-N 2.99Å; Y863-E865 VanDerWaalsContact C-N 3.28Å; Y863-E865 PolarHBondContact O-N 3.17Å; Y863-F866 AromaticContact CD1-CE1 3.48Å; Y863-F866 HydrophobicContact CD1-CE1 3.48Å; Y863-F866 VanDerWaalsContact CD1-CE1 3.48Å; Y863-F866 HydrophobicContact CD1-CZ 4.02Å; Y863-F866 HydrophobicContact CE1-CE1 4.29Å; Y863-F866 HydrophobicContact CG-CE1 4.01Å; Y863-M867 WeakPolarHBondContact O-CB 3.43Å; Y863-M867 PolarHBondContact O-N 3.17Å; Y863-L888 HydrophobicContact CD1-CD2 4.1Å; Y863-L888 HydrophobicContact CE1-CD2 3.8Å; Y863-L891 HydrophobicContact CD1-CD1 4.29Å; Y863-L891 HydrophobicContact CE1-CB 4.4Å; Y863-L891 HydrophobicContact CE1-CD1 4.03Å; Y863-L891 HydrophobicContact CE2-CD1 4.35Å; Y863-N892 PolarHBondContact OH-OD1 3.26Å
864	L	91.4	Very high	89.5	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-32.8	174.2	-60.9	177.6	0	0	0	112.1	V854 S855 Q856 A859 P861 M867 K868	V854-L864 HydrophobicContact CB-CD2 3.92Å; V854-L864 HydrophobicContact CG1-CD2 3.53Å; S855-L864 WeakPolarHBondContact O-CD1 3.36Å; Q856-L864 HydrophobicContact CG-CD1 4.36Å; A859-L864 HydrophobicContact CB-CD2 3.89Å; A859-L864 HydrophobicContact CB-CG 4.08Å; P861-L864 PolarHBondContact O-N 3Å; L864-M867 HydrophobicContact CD2-CE 3.59Å; L864-K868 WeakPolarHBondContact O-CB 3.31Å; L864-K868 WeakPolarHBondContact O-CD 3.38Å; L864-K868 WeakPolarHBondContact O-CG 3.43Å; L864-K868 PolarHBondContact O-N 3.47Å
865	E	89.6	Confident	89.8	Confident	111 Å²	111	51.2 Å²	51.2	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-69.3	-47.4	177.7	-161	-152.2	119.2	0	0	112.4	P861 A862 Y863 M867 K868 R869	P861-E865 PolarHBondContact O-N 3.03Å; A862-E865 PolarHBondContact O-N 2.87Å; Y863-E865 VanDerWaalsContact C-N 3.28Å; Y863-E865 PolarHBondContact O-N 3.17Å; E865-M867 VanDerWaalsContact C-N 3.35Å; E865-M867 PolarHBondContact O-N 3.06Å; E865-K868 WeakPolarHBondContact O-CB 3.39Å; E865-K868 PolarHBondContact O-N 2.99Å; E865-R869 PolarHBondContact O-N 3.22Å; E865-R869 IonicContact OE1-CZ 3.41Å; E865-R869 IonicContact OE1-NE 3.78Å; E865-R869 PolarHBondContact OE1-NE 3.36Å; E865-R869 IonicContact OE1-NH2 2.69Å
866	F	88.4	Confident	90.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-33.4	177.5	82.4	-112.8	0	0	0	112.1	F815 M819 A862 Y863 K868 R869 A870 I884 L888 L891	F815-F866 HydrophobicContact CE1-CE2 4.38Å; M819-F866 HydrophobicContact CE-CD2 4.47Å; M819-F866 HydrophobicContact CE-CE1 4.12Å; M819-F866 HydrophobicContact CE-CE2 3.61Å; M819-F866 HydrophobicContact CE-CZ 3.39Å; M819-F866 HydrophobicContact SD-CD2 4.3Å; M819-F866 HydrophobicContact SD-CE2 3.38Å; M819-F866 WeakPolarHBondContact SD-CE2 3.37Å; M819-F866 HydrophobicContact SD-CZ 3.73Å; A862-F866 WeakPolarHBondContact O-CD1 3.45Å; A862-F866 PolarHBondContact O-N 3.4Å; Y863-F866 AromaticContact CD1-CE1 3.48Å; Y863-F866 HydrophobicContact CD1-CE1 3.48Å; Y863-F866 VanDerWaalsContact CD1-CE1 3.48Å; Y863-F866 HydrophobicContact CD1-CZ 4.02Å; Y863-F866 HydrophobicContact CE1-CE1 4.29Å; Y863-F866 HydrophobicContact CG-CE1 4.01Å; F866-K868 VanDerWaalsContact C-N 3.29Å; F866-K868 PolarHBondContact O-N 3.08Å; F866-R869 PolarHBondContact O-N 3.08Å; F866-R869 VanDerWaalsContact O-N 3.16Å; F866-A870 WeakPolarHBondContact O-CB 3.43Å; F866-A870 PolarHBondContact O-N 3.35Å; F866-I884 HydrophobicContact CE2-CG2 4.25Å; F866-L888 HydrophobicContact CE1-CD2 3.8Å; F866-L888 HydrophobicContact CZ-CD2 3.67Å; F866-L888 HydrophobicContact CZ-CG 4.26Å; F866-L891 HydrophobicContact CD1-CD1 4.07Å; F866-L891 HydrophobicContact CE1-CD1 4.07Å
867	M	92.8	Very high	90.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-42.7	170.5	-175.6	178.3	66	0	0	111.1	M819 Q820 I823 V854 Y863 L864 E865 R869 A870 W871	M819-M867 HydrophobicContact CB-SD 4.38Å; M819-M867 HydrophobicContact CE-CB 3.93Å; M819-M867 HydrophobicContact CE-SD 4.43Å; M819-M867 HydrophobicContact CG-CG 4.38Å; M819-M867 HydrophobicContact CG-SD 4.01Å; M819-M867 HydrophobicContact SD-CB 3.87Å; M819-M867 HydrophobicContact SD-CG 4.07Å; M819-M867 HydrophobicContact SD-SD 4.34Å; Q820-M867 HydrophobicContact CB-SD 4.26Å; I823-M867 HydrophobicContact CD1-SD 4.22Å; V854-M867 HydrophobicContact CB-CE 3.87Å; V854-M867 HydrophobicContact CG1-CE 4.38Å; V854-M867 HydrophobicContact CG2-CE 3.61Å; V854-M867 HydrophobicContact CG2-SD 4.44Å; Y863-M867 WeakPolarHBondContact O-CB 3.43Å; Y863-M867 PolarHBondContact O-N 3.17Å; L864-M867 HydrophobicContact CD2-CE 3.59Å; E865-M867 VanDerWaalsContact C-N 3.35Å; E865-M867 PolarHBondContact O-N 3.06Å; M867-R869 VanDerWaalsContact C-N 3.34Å; M867-R869 PolarHBondContact O-N 3.36Å; M867-A870 PolarHBondContact O-N 3.2Å; M867-A870 VanDerWaalsContact O-N 3.15Å; M867-W871 HydrophobicContact CE-CH2 3.72Å; M867-W871 HydrophobicContact CE-CZ2 4.26Å; M867-W871 HydrophobicContact CE-CZ3 4.31Å; M867-W871 HydrophobicContact CG-CE3 4.25Å; M867-W871 HydrophobicContact CG-CH2 4.15Å; M867-W871 HydrophobicContact CG-CZ3 3.96Å; M867-W871 PolarHBondContact O-N 3.12Å; M867-W871 HydrophobicContact SD-CH2 4.09Å; M867-W871 HydrophobicContact SD-CZ3 4.07Å
868	K	92.7	Very high	91.5	Very high	116 Å²	116	49 Å²	49	50%	0.504	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-35.7	174.6	-75.9	166.5	-176.4	174	0	113.4	L864 E865 F866 W871	L864-K868 WeakPolarHBondContact O-CB 3.31Å; L864-K868 WeakPolarHBondContact O-CD 3.38Å; L864-K868 WeakPolarHBondContact O-CG 3.43Å; L864-K868 PolarHBondContact O-N 3.47Å; E865-K868 WeakPolarHBondContact O-CB 3.39Å; E865-K868 PolarHBondContact O-N 2.99Å; F866-K868 VanDerWaalsContact C-N 3.29Å; F866-K868 PolarHBondContact O-N 3.08Å; K868-W871 HydrophobicContact CG-CZ2 4.27Å; K868-W871 VanDerWaalsContact O-CD1 3.24Å
869	R	93	Very high	92	Very high	89 Å²	89	46.3 Å²	46.3	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-69.4	-35.3	172	-69.3	-172.6	-85.3	113.9	2.9	111.9	E865 F866 M867 A872	E865-R869 PolarHBondContact O-N 3.22Å; E865-R869 IonicContact OE1-CZ 3.41Å; E865-R869 IonicContact OE1-NE 3.78Å; E865-R869 PolarHBondContact OE1-NE 3.36Å; E865-R869 IonicContact OE1-NH2 2.69Å; F866-R869 PolarHBondContact O-N 3.08Å; F866-R869 VanDerWaalsContact O-N 3.16Å; M867-R869 VanDerWaalsContact C-N 3.34Å; M867-R869 PolarHBondContact O-N 3.36Å; R869-A872 VanDerWaalsContact O-CB 3.3Å; R869-A872 WeakPolarHBondContact O-CB 3.29Å; R869-A872 PolarHBondContact O-N 2.71Å
870	A	94	Very high	92.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-33.8	-179.5	0	0	0	0	0	114.2	V812 F866 M867 R878	V812-A870 HydrophobicContact CG1-CB 3.91Å; F866-A870 WeakPolarHBondContact O-CB 3.43Å; F866-A870 PolarHBondContact O-N 3.35Å; M867-A870 PolarHBondContact O-N 3.2Å; M867-A870 VanDerWaalsContact O-N 3.15Å; A870-R878 VanDerWaalsContact O-CD 3.25Å; A870-R878 WeakPolarHBondContact O-CD 3.35Å; A870-R878 WeakPolarHBondContact O-CG 3.43Å
871	W	94.1	Very high	92.8	Very high	17 Å²	17	46.1 Å²	46.1	6%	0.064	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	21.8	170	58.3	43.7	0	0	0	115.3	Y813 S816 I817 Q820 R851 P852 M867 K868 E873	Y813-W871 HydrophobicContact CD2-CB 3.77Å; Y813-W871 HydrophobicContact CE2-CB 3.69Å; S816-W871 VanDerWaalsContact OG-CB 3.3Å; S816-W871 WeakPolarHBondContact OG-CB 3.2Å; I817-W871 HydrophobicContact CD1-CE3 4.05Å; I817-W871 HydrophobicContact CD1-CZ3 4.46Å; Q820-W871 HydrophobicContact CB-CZ3 4.16Å; R851-W871 PolarHBondContact NE-O 3.25Å; R851-W871 PolarHBondContact NH2-O 3.39Å; P852-W871 HydrophobicContact CB-CH2 3.76Å; P852-W871 HydrophobicContact CB-CZ3 3.84Å; P852-W871 HydrophobicContact CG-CE3 4.23Å; P852-W871 HydrophobicContact CG-CH2 4.04Å; P852-W871 HydrophobicContact CG-CZ3 3.65Å; P852-W871 WeakPolarHBondContact O-CH2 3.46Å; P852-W871 WeakPolarHBondContact O-CZ2 3.35Å; M867-W871 HydrophobicContact CE-CH2 3.72Å; M867-W871 HydrophobicContact CE-CZ2 4.26Å; M867-W871 HydrophobicContact CE-CZ3 4.31Å; M867-W871 HydrophobicContact CG-CE3 4.25Å; M867-W871 HydrophobicContact CG-CH2 4.15Å; M867-W871 HydrophobicContact CG-CZ3 3.96Å; M867-W871 PolarHBondContact O-N 3.12Å; M867-W871 HydrophobicContact SD-CH2 4.09Å; M867-W871 HydrophobicContact SD-CZ3 4.07Å; K868-W871 HydrophobicContact CG-CZ2 4.27Å; K868-W871 VanDerWaalsContact O-CD1 3.24Å; W871-E873 PolarHBondContact O-N 3.23Å
872	A	94.2	Very high	93	Very high	20 Å²	20	45.5 Å²	45.5	17%	0.165	24%	0.239	C	C	.	.			trans	-53.1	143	178.6	0	0	0	0	0	111.7	R869 M877 R878	R869-A872 VanDerWaalsContact O-CB 3.3Å; R869-A872 WeakPolarHBondContact O-CB 3.29Å; R869-A872 PolarHBondContact O-N 2.71Å; A872-M877 HydrophobicContact CB-CB 3.75Å; A872-R878 HydrophobicContact CB-CG 4Å; A872-R878 PolarHBondContact O-NE 3.22Å; A872-R878 PolarHBondContact O-NH2 3.29Å; A872-R878 VanDerWaalsContact O-NH2 3.14Å
873	E	92.5	Very high	93.3	Very high	49 Å²	49	47.4 Å²	47.4	23%	0.229	24%	0.242	C	C	.	.	S	Bend	trans	-60.1	-49.8	-176.7	-176.8	59.3	-152.5	0	0	111.6	R798 L849 R851 W871 R878	R798-E873 IonicContact CZ-OE1 3.68Å; R798-E873 IonicContact NH1-OE1 3.5Å; R798-E873 PolarHBondContact NH1-OE1 3.01Å; R798-E873 IonicContact NH2-OE1 2.68Å; R798-E873 PolarHBondContact NH2-OE1 3.29Å; L849-E873 HydrophobicContact CD2-CB 4.08Å; L849-E873 HydrophobicContact CD2-CG 3.84Å; L849-E873 WeakPolarHBondContact CD2-OE2 3.47Å; R851-E873 IonicContact CZ-OE2 2.65Å; R851-E873 IonicContact NH1-OE2 3.83Å; R851-E873 PolarHBondContact NH1-OE2 3.45Å; R851-E873 VanDerWaalsContact NH2-CA 3.34Å; R851-E873 IonicContact NH2-OE2 3.7Å; R851-E873 PolarHBondContact NH2-OE2 3.46Å; W871-E873 PolarHBondContact O-N 3.23Å; E873-R878 PolarHBondContact O-NH2 2.64Å
874	S	92.3	Very high	93.4	Very high	55 Å²	55	46.7 Å²	46.7	39%	0.385	24%	0.239	S	C	.	.	S	Bend	trans	-75.3	127.1	171.8	175.2	0	0	0	0	111.2	V876 M877	S874-V876 PolarHBondContact O-N 2.91Å; S874-V876 PolarHBondContact OG-N 3.36Å; S874-M877 PolarHBondContact O-N 3.05Å; S874-M877 VanDerWaalsContact O-N 3.13Å
875	P	93.6	Very high	93.5	Very high	40 Å²	40	47.7 Å²	47.7	26%	0.26	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.3	-26.7	175.9	-25.1	35.1	0	0	0	114	E795 K809 M877 R878	E795-P875 HydrophobicContact CB-CG 4.28Å; E795-P875 HydrophobicContact CG-CG 3.83Å; K809-P875 HydrophobicContact CB-CB 3.94Å; K809-P875 WeakPolarHBondContact CD-O 3.2Å; P875-M877 VanDerWaalsContact C-N 3.3Å; P875-M877 PolarHBondContact O-N 3.06Å; P875-R878 PolarHBondContact O-N 3.08Å
876	V	93.9	Very high	93.6	Very high	125 Å²	125	46.8 Å²	46.8	76%	0.758	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-67.7	-31.9	179.4	-176	0	0	0	0	111.4	S874 R878	S874-V876 PolarHBondContact O-N 2.91Å; S874-V876 PolarHBondContact OG-N 3.36Å; V876-R878 VanDerWaalsContact C-N 3.31Å; V876-R878 PolarHBondContact O-N 3.07Å
877	M	94.4	Very high	93.6	Very high	134 Å²	134	48.5 Å²	48.5	66%	0.66	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-80.1	-11	-178.9	-61.9	-61.8	-60.4	0	0	113.7	A872 S874 P875	A872-M877 HydrophobicContact CB-CB 3.75Å; S874-M877 PolarHBondContact O-N 3.05Å; S874-M877 VanDerWaalsContact O-N 3.13Å; P875-M877 VanDerWaalsContact C-N 3.3Å; P875-M877 PolarHBondContact O-N 3.06Å
878	R	95.7	Very high	93.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	25%	0.246	C	C	.	.	S	Bend	trans	-80.1	135.1	179.1	-56.9	177.2	-165.3	147.9	12.8	109.3	E795 K809 V812 A870 A872 E873 P875 V876	E795-R878 IonicContact OE1-CZ 3.16Å; E795-R878 IonicContact OE1-NH1 3.25Å; E795-R878 PolarHBondContact OE1-NH1 3.5Å; E795-R878 IonicContact OE1-NH2 3.42Å; E795-R878 IonicContact OE2-CZ 2.72Å; E795-R878 IonicContact OE2-NH1 2.7Å; E795-R878 PolarHBondContact OE2-NH1 3.03Å; E795-R878 IonicContact OE2-NH2 2.69Å; E795-R878 PolarHBondContact OE2-NH2 3.2Å; K809-R878 HydrophobicContact CD-CB 4.47Å; K809-R878 PolarHBondContact NZ-O 3.35Å; K809-R878 VanDerWaalsContact O-CD 3.3Å; K809-R878 WeakPolarHBondContact O-CD 3.43Å; K809-R878 PolarHBondContact O-NH1 3.32Å; V812-R878 HydrophobicContact CG1-CB 4.01Å; A870-R878 VanDerWaalsContact O-CD 3.25Å; A870-R878 WeakPolarHBondContact O-CD 3.35Å; A870-R878 WeakPolarHBondContact O-CG 3.43Å; A872-R878 HydrophobicContact CB-CG 4Å; A872-R878 PolarHBondContact O-NE 3.22Å; A872-R878 PolarHBondContact O-NH2 3.29Å; A872-R878 VanDerWaalsContact O-NH2 3.14Å; E873-R878 PolarHBondContact O-NH2 2.64Å; P875-R878 PolarHBondContact O-N 3.08Å; V876-R878 VanDerWaalsContact C-N 3.31Å; V876-R878 PolarHBondContact O-N 3.07Å
879	P	95.4	Very high	93.1	Very high	7 Å²	7	50.4 Å²	50.4	5%	0.045	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-64.4	169.5	176.4	26.4	-34.1	0	0	0	112.6	V812 E883 I884	V812-P879 WeakPolarHBondContact CG2-O 3.5Å; P879-E883 WeakPolarHBondContact CA-OE2 3.49Å; P879-E883 HydrophobicContact CB-CB 4.06Å; P879-E883 WeakPolarHBondContact CB-OE2 3.43Å; P879-I884 HydrophobicContact CB-CG1 4.07Å; P879-I884 HydrophobicContact CG-CD1 4.05Å; P879-I884 HydrophobicContact CG-CG1 3.72Å
880	T	95.7	Very high	92.8	Very high	51 Å²	51	53 Å²	53	31%	0.313	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-85.7	160.7	165.5	63.4	0	0	0	0	111.6	E882 E883 I884	T880-E882 PolarHBondContact O-N 3.43Å; T880-E883 WeakPolarHBondContact CB-OE1 3.15Å; T880-E883 WeakPolarHBondContact CG2-OE1 3.48Å; T880-E883 VanDerWaalsContact N-CD 3.3Å; T880-E883 PolarHBondContact N-OE1 2.98Å; T880-E883 PolarHBondContact N-OE2 3.01Å; T880-E883 PolarHBondContact O-N 3.32Å; T880-E883 VanDerWaalsContact O-N 3.15Å; T880-E883 WeakPolarHBondContact OG1-CG 3.36Å; T880-E883 PolarHBondContact OG1-N 2.93Å; T880-E883 PolarHBondContact OG1-OE1 2.85Å; T880-I884 WeakPolarHBondContact O-CG1 3.18Å; T880-I884 PolarHBondContact O-N 2.96Å
881	F	95.6	Very high	92.4	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-23.6	174.4	-81.1	-80.5	0	0	0	113.4	V734 M737 R738 H741 D811 V812 F815 I884 Y885	V734-F881 HydrophobicContact CG1-CD1 4.32Å; V734-F881 HydrophobicContact CG2-CD1 4.36Å; M737-F881 HydrophobicContact CB-CD1 3.62Å; M737-F881 HydrophobicContact CB-CD2 3.86Å; M737-F881 HydrophobicContact CB-CE1 3.48Å; M737-F881 VanDerWaalsContact CB-CE1 3.48Å; M737-F881 HydrophobicContact CB-CE2 3.72Å; M737-F881 HydrophobicContact CB-CG 3.81Å; M737-F881 HydrophobicContact CB-CZ 3.53Å; M737-F881 HydrophobicContact CE-CE2 4.04Å; M737-F881 HydrophobicContact CE-CZ 4.41Å; M737-F881 HydrophobicContact CG-CD1 4.5Å; M737-F881 HydrophobicContact CG-CE1 3.87Å; M737-F881 HydrophobicContact CG-CE2 4.12Å; M737-F881 HydrophobicContact CG-CZ 3.65Å; R738-F881 HydrophobicContact CB-CB 4.06Å; H741-F881 AromaticContact CE1-CD2 3.38Å; H741-F881 WeakPolarHBondContact CE1-CD2 3.15Å; H741-F881 AromaticContact CE1-CE2 3.57Å; H741-F881 AromaticContact ND1-CD2 3.52Å; D811-F881 HydrophobicContact CB-CE2 4.05Å; V812-F881 HydrophobicContact CB-CE2 4.37Å; V812-F881 HydrophobicContact CG2-CD2 3.71Å; V812-F881 HydrophobicContact CG2-CE2 3.51Å; V812-F881 HydrophobicContact CG2-CZ 4.19Å; F815-F881 HydrophobicContact CB-CE1 3.81Å; F815-F881 HydrophobicContact CB-CZ 3.61Å; F815-F881 AromaticContact CD1-CE1 3.95Å; F815-F881 HydrophobicContact CD1-CE1 3.95Å; F815-F881 HydrophobicContact CD1-CZ 4.45Å; F815-F881 HydrophobicContact CD2-CE1 4.12Å; F815-F881 AromaticContact CG-CE1 3.67Å; F815-F881 HydrophobicContact CG-CE1 3.67Å; F815-F881 HydrophobicContact CG-CZ 4.02Å; F881-I884 HydrophobicContact CD1-CD1 4.28Å; F881-Y885 VanDerWaalsContact O-CB 3.24Å; F881-Y885 WeakPolarHBondContact O-CB 3.11Å; F881-Y885 PolarHBondContact O-N 2.85Å
882	E	94.2	Very high	91.7	Very high	74 Å²	74	56.4 Å²	56.4	35%	0.346	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-46.8	171	-176.9	55.9	-142.1	0	0	110.9	R738 T880 I884 Y885 Q886	R738-E882 WeakPolarHBondContact CD-OE2 3.33Å; R738-E882 IonicContact CZ-OE2 3.4Å; R738-E882 IonicContact NE-OE2 3.66Å; R738-E882 IonicContact NH1-OE1 2.83Å; R738-E882 IonicContact NH1-OE2 3.23Å; R738-E882 PolarHBondContact NH1-OE2 3.32Å; T880-E882 PolarHBondContact O-N 3.43Å; E882-I884 PolarHBondContact O-N 3.31Å; E882-Y885 PolarHBondContact O-N 3.28Å; E882-Q886 VanDerWaalsContact O-CG 3.3Å; E882-Q886 WeakPolarHBondContact O-CG 3.45Å; E882-Q886 PolarHBondContact O-N 2.98Å; E882-Q886 PolarHBondContact OE1-NE2 3.36Å
883	E	94.5	Very high	90.6	Very high	78 Å²	78	63.2 Å²	63.2	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-40.2	173.6	-69	148.5	-129	0	0	112.7	P879 T880 Q886 Q887	P879-E883 WeakPolarHBondContact CA-OE2 3.49Å; P879-E883 HydrophobicContact CB-CB 4.06Å; P879-E883 WeakPolarHBondContact CB-OE2 3.43Å; T880-E883 WeakPolarHBondContact CB-OE1 3.15Å; T880-E883 WeakPolarHBondContact CG2-OE1 3.48Å; T880-E883 VanDerWaalsContact N-CD 3.3Å; T880-E883 PolarHBondContact N-OE1 2.98Å; T880-E883 PolarHBondContact N-OE2 3.01Å; T880-E883 PolarHBondContact O-N 3.32Å; T880-E883 VanDerWaalsContact O-N 3.15Å; T880-E883 WeakPolarHBondContact OG1-CG 3.36Å; T880-E883 PolarHBondContact OG1-N 2.93Å; T880-E883 PolarHBondContact OG1-OE1 2.85Å; E883-Q886 PolarHBondContact O-N 3.41Å; E883-Q887 WeakPolarHBondContact O-CB 3.38Å; E883-Q887 VanDerWaalsContact O-CG 3.31Å; E883-Q887 WeakPolarHBondContact O-CG 3.23Å; E883-Q887 PolarHBondContact O-N 3.34Å; E883-Q887 PolarHBondContact O-NE2 3.44Å
884	I	93.9	Very high	89	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-44.2	175.4	-64.1	167.2	0	0	0	110	V734 V812 F815 F866 P879 T880 F881 E882 Q886 Q887 L888	V734-I884 HydrophobicContact CG1-CB 4.48Å; V734-I884 HydrophobicContact CG1-CG2 4.1Å; V734-I884 HydrophobicContact CG2-CG2 3.76Å; V812-I884 HydrophobicContact CG1-CD1 4Å; F815-I884 HydrophobicContact CD1-CD1 4.22Å; F815-I884 HydrophobicContact CE1-CD1 4.21Å; F815-I884 HydrophobicContact CE1-CG2 4.09Å; F815-I884 HydrophobicContact CZ-CG2 4.48Å; F866-I884 HydrophobicContact CE2-CG2 4.25Å; P879-I884 HydrophobicContact CB-CG1 4.07Å; P879-I884 HydrophobicContact CG-CD1 4.05Å; P879-I884 HydrophobicContact CG-CG1 3.72Å; T880-I884 WeakPolarHBondContact O-CG1 3.18Å; T880-I884 PolarHBondContact O-N 2.96Å; F881-I884 HydrophobicContact CD1-CD1 4.28Å; E882-I884 PolarHBondContact O-N 3.31Å; I884-Q886 PolarHBondContact O-N 2.93Å; I884-Q887 PolarHBondContact O-N 3.3Å; I884-L888 HydrophobicContact CG2-CD1 4.22Å; I884-L888 HydrophobicContact CG2-CG 4.49Å; I884-L888 WeakPolarHBondContact O-CB 3.19Å; I884-L888 WeakPolarHBondContact O-CG 3.4Å; I884-L888 PolarHBondContact O-N 3.31Å
885	Y	92.4	Very high	87.7	Confident	27 Å²	27	68.2 Å²	68.2	11%	0.106	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-40.4	178.1	-177.5	-105.3	0	0	0	112.5	V734 K735 F881 E882 L888 R889	V734-Y885 HydrophobicContact CG1-CD2 4.11Å; V734-Y885 HydrophobicContact CG1-CG 4.45Å; K735-Y885 HydrophobicContact CG-CD2 4.41Å; K735-Y885 HydrophobicContact CG-CE2 3.86Å; F881-Y885 VanDerWaalsContact O-CB 3.24Å; F881-Y885 WeakPolarHBondContact O-CB 3.11Å; F881-Y885 PolarHBondContact O-N 2.85Å; E882-Y885 PolarHBondContact O-N 3.28Å; Y885-L888 PolarHBondContact O-N 2.95Å; Y885-R889 HydrophobicContact CE1-CG 4.28Å; Y885-R889 VanDerWaalsContact CE1-NE 3.28Å; Y885-R889 VanDerWaalsContact CZ-NE 3.32Å; Y885-R889 PolarHBondContact O-N 3.02Å; Y885-R889 PolarHBondContact OH-NE 3.09Å; Y885-R889 PolarHBondContact OH-NH2 2.91Å
886	Q	91.5	Very high	86.2	Confident	91 Å²	91	74.9 Å²	74.9	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-44	175	-70.1	174.5	14.2	0	0	111.5	E882 E883 I884 R889 Q890	E882-Q886 VanDerWaalsContact O-CG 3.3Å; E882-Q886 WeakPolarHBondContact O-CG 3.45Å; E882-Q886 PolarHBondContact O-N 2.98Å; E882-Q886 PolarHBondContact OE1-NE2 3.36Å; E883-Q886 PolarHBondContact O-N 3.41Å; I884-Q886 PolarHBondContact O-N 2.93Å; Q886-R889 PolarHBondContact O-N 3.33Å; Q886-Q890 VanDerWaalsContact O-CG 3.3Å; Q886-Q890 WeakPolarHBondContact O-CG 3.42Å; Q886-Q890 PolarHBondContact O-N 3.48Å
887	Q	89.9	Confident	84.7	Confident	39 Å²	39	71.3 Å²	71.3	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-45.2	174.4	-75.2	166.5	56.2	0	0	111.7	E883 I884 R889 Q890 L891	E883-Q887 WeakPolarHBondContact O-CB 3.38Å; E883-Q887 VanDerWaalsContact O-CG 3.31Å; E883-Q887 WeakPolarHBondContact O-CG 3.23Å; E883-Q887 PolarHBondContact O-N 3.34Å; E883-Q887 PolarHBondContact O-NE2 3.44Å; I884-Q887 PolarHBondContact O-N 3.3Å; Q887-R889 PolarHBondContact O-N 2.86Å; Q887-Q890 PolarHBondContact O-N 2.99Å; Q887-L891 VanDerWaalsContact O-CG 3.32Å; Q887-L891 WeakPolarHBondContact O-CG 3.35Å; Q887-L891 PolarHBondContact O-N 3.5Å
888	L	89.1	Confident	83	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-43	174.5	-77.4	175.6	0	0	0	112.2	L727 I730 V734 Y863 F866 I884 Y885 Q890 L891 N892	L727-L888 HydrophobicContact CD1-CD2 3.98Å; I730-L888 HydrophobicContact CG2-CD1 4.4Å; V734-L888 HydrophobicContact CB-CD1 4.15Å; V734-L888 HydrophobicContact CG1-CD1 4.26Å; V734-L888 HydrophobicContact CG2-CD1 3.82Å; Y863-L888 HydrophobicContact CD1-CD2 4.1Å; Y863-L888 HydrophobicContact CE1-CD2 3.8Å; F866-L888 HydrophobicContact CE1-CD2 3.8Å; F866-L888 HydrophobicContact CZ-CD2 3.67Å; F866-L888 HydrophobicContact CZ-CG 4.26Å; I884-L888 HydrophobicContact CG2-CD1 4.22Å; I884-L888 HydrophobicContact CG2-CG 4.49Å; I884-L888 WeakPolarHBondContact O-CB 3.19Å; I884-L888 WeakPolarHBondContact O-CG 3.4Å; I884-L888 PolarHBondContact O-N 3.31Å; Y885-L888 PolarHBondContact O-N 2.95Å; L888-Q890 VanDerWaalsContact C-N 3.33Å; L888-Q890 PolarHBondContact O-N 3.36Å; L888-L891 PolarHBondContact O-N 2.82Å; L888-N892 VanDerWaalsContact O-CB 3.25Å; L888-N892 WeakPolarHBondContact O-CB 3.45Å; L888-N892 PolarHBondContact O-N 3.37Å; L888-N892 PolarHBondContact O-ND2 3.24Å; L888-N892 PolarHBondContact O-OD1 2.89Å
889	R	86.3	Confident	81.5	Confident	156 Å²	156	69.9 Å²	69.9	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-39.4	175	-84.2	-168.1	171.1	-148.3	2.2	113.1	Y885 Q886 Q887 Q893 G894	Y885-R889 HydrophobicContact CE1-CG 4.28Å; Y885-R889 VanDerWaalsContact CE1-NE 3.28Å; Y885-R889 VanDerWaalsContact CZ-NE 3.32Å; Y885-R889 PolarHBondContact O-N 3.02Å; Y885-R889 PolarHBondContact OH-NE 3.09Å; Y885-R889 PolarHBondContact OH-NH2 2.91Å; Q886-R889 PolarHBondContact O-N 3.33Å; Q887-R889 PolarHBondContact O-N 2.86Å; R889-Q893 PolarHBondContact O-N 3.27Å; R889-G894 PolarHBondContact O-N 3.44Å
890	Q	86.7	Confident	80.1	Confident	143 Å²	143	73 Å²	73	67%	0.668	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-49	177.1	-71.6	168	5.6	0	0	111.2	Q886 Q887 L888 N892 Q893	Q886-Q890 VanDerWaalsContact O-CG 3.3Å; Q886-Q890 WeakPolarHBondContact O-CG 3.42Å; Q886-Q890 PolarHBondContact O-N 3.48Å; Q887-Q890 PolarHBondContact O-N 2.99Å; L888-Q890 VanDerWaalsContact C-N 3.33Å; L888-Q890 PolarHBondContact O-N 3.36Å; Q890-N892 VanDerWaalsContact C-N 3.28Å; Q890-N892 PolarHBondContact O-N 2.71Å; Q890-Q893 PolarHBondContact O-N 3.44Å; Q890-Q893 VanDerWaalsContact O-N 3.15Å
891	L	85	Confident	78.7	Confident	67 Å²	67	74.7 Å²	74.7	35%	0.351	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-35.5	177.7	-67.1	175.5	0	0	0	112.5	A862 Y863 F866 Q887 L888 Q893	A862-L891 HydrophobicContact CB-CD1 4.12Å; A862-L891 HydrophobicContact CB-CD2 3.62Å; Y863-L891 HydrophobicContact CD1-CD1 4.29Å; Y863-L891 HydrophobicContact CE1-CB 4.4Å; Y863-L891 HydrophobicContact CE1-CD1 4.03Å; Y863-L891 HydrophobicContact CE2-CD1 4.35Å; F866-L891 HydrophobicContact CD1-CD1 4.07Å; F866-L891 HydrophobicContact CE1-CD1 4.07Å; Q887-L891 VanDerWaalsContact O-CG 3.32Å; Q887-L891 WeakPolarHBondContact O-CG 3.35Å; Q887-L891 PolarHBondContact O-N 3.5Å; L888-L891 PolarHBondContact O-N 2.82Å; L891-Q893 VanDerWaalsContact C-N 3.26Å; L891-Q893 PolarHBondContact O-N 2.97Å
892	N	79.5	Confident	77.2	Confident	22 Å²	22	77.4 Å²	77.4	12%	0.118	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.7	179.8	-61.7	-1.1	0	0	0	113.4	Y863 L888 Q890 G894 K895 I897	Y863-N892 PolarHBondContact OH-OD1 3.26Å; L888-N892 VanDerWaalsContact O-CB 3.25Å; L888-N892 WeakPolarHBondContact O-CB 3.45Å; L888-N892 PolarHBondContact O-N 3.37Å; L888-N892 PolarHBondContact O-ND2 3.24Å; L888-N892 PolarHBondContact O-OD1 2.89Å; Q890-N892 VanDerWaalsContact C-N 3.28Å; Q890-N892 PolarHBondContact O-N 2.71Å; N892-G894 PolarHBondContact O-N 3.3Å; N892-K895 WeakPolarHBondContact O-CB 3.17Å; N892-K895 PolarHBondContact O-N 2.88Å; N892-I897 HydrophobicContact CB-CD1 4.49Å; N892-I897 WeakPolarHBondContact ND2-CD1 3.24Å
893	Q	70.4	Confident	75.9	Confident	162 Å²	162	76.9 Å²	76.9	76%	0.757	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	30.3	-178.3	-58.9	179.3	-11.3	0	0	113.8	R889 Q890 L891 K895	R889-Q893 PolarHBondContact O-N 3.27Å; Q890-Q893 PolarHBondContact O-N 3.44Å; Q890-Q893 VanDerWaalsContact O-N 3.15Å; L891-Q893 VanDerWaalsContact C-N 3.26Å; L891-Q893 PolarHBondContact O-N 2.97Å; Q893-K895 PolarHBondContact O-N 3.44Å
894	G	60.4	Low	74.7	Confident	61 Å²	61	79.4 Å²	79.4	63%	0.629	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	3.3	-175.1	0	0	0	0	0	116.1	R889 N892 K896	R889-G894 PolarHBondContact O-N 3.44Å; N892-G894 PolarHBondContact O-N 3.3Å; G894-K896 PolarHBondContact O-N 3.5Å
895	K	64.4	Low	73.5	Confident	149 Å²	149	86.2 Å²	86.2	65%	0.648	42%	0.417	S	S	*	.			trans	-60.7	125	172.8	-67.7	-176.2	179	-179.9	0	109.6	N892 Q893 I897	N892-K895 WeakPolarHBondContact O-CB 3.17Å; N892-K895 PolarHBondContact O-N 2.88Å; Q893-K895 PolarHBondContact O-N 3.44Å; K895-I897 PolarHBondContact O-N 3.46Å
896	K	61.6	Low	72.2	Confident	180 Å²	180	88.3 Å²	88.3	78%	0.783	43%	0.429	S	S	*	.			trans	-71.7	109.8	166.9	-69.9	-176.4	-179.6	178.6	0	107.6	G894 N898	G894-K896 PolarHBondContact O-N 3.5Å; K896-N898 VanDerWaalsContact C-N 3.34Å; K896-N898 PolarHBondContact O-N 3.49Å
897	I	62.2	Low	71.2	Confident	49 Å²	49	89.8 Å²	89.8	25%	0.251	44%	0.438	S	S	.	.			trans	-80.3	87.4	177	-55.8	172.5	0	0	0	107.6	E724 L727 N892 K895 I899	E724-I897 HydrophobicContact CB-CG2 4.42Å; L727-I897 HydrophobicContact CB-CD1 4.37Å; L727-I897 HydrophobicContact CD2-CD1 3.42Å; L727-I897 VanDerWaalsContact CD2-CD1 3.42Å; L727-I897 HydrophobicContact CG-CD1 3.55Å; N892-I897 HydrophobicContact CB-CD1 4.49Å; N892-I897 WeakPolarHBondContact ND2-CD1 3.24Å; K895-I897 PolarHBondContact O-N 3.46Å; I897-I899 PolarHBondContact O-N 3.14Å
898	N	58.4	Low	70.5	Confident	84 Å²	84	94.7 Å²	94.7	45%	0.449	46%	0.461	S	S	.	.			trans	-86.8	102.5	175.2	-76	-6.5	0	0	0	109.1	K896 V900 D901	K896-N898 VanDerWaalsContact C-N 3.34Å; K896-N898 PolarHBondContact O-N 3.49Å; N898-V900 PolarHBondContact O-N 2.96Å; N898-D901 WeakPolarHBondContact CB-OD2 3.49Å; N898-D901 PolarHBondContact O-N 3.11Å
899	I	64.6	Low	69.8	Low	23 Å²	23	100.7 Å²	100.7	12%	0.118	49%	0.487	C	S	.	.	H	α-helix	trans	-48	-37.2	172.2	-54.8	170.5	0	0	0	111.3	F725 S728 W762 I897 D901 H902 M903	F725-I899 HydrophobicContact CD2-CG2 3.73Å; F725-I899 HydrophobicContact CE2-CG2 3.35Å; F725-I899 HydrophobicContact CZ-CG2 3.91Å; S728-I899 VanDerWaalsContact CB-CG1 3.49Å; S728-I899 WeakPolarHBondContact OG-CD1 3.19Å; S728-I899 WeakPolarHBondContact OG-CG1 3.44Å; W762-I899 HydrophobicContact CB-CD1 4.2Å; I897-I899 PolarHBondContact O-N 3.14Å; I899-D901 VanDerWaalsContact C-N 3.26Å; I899-D901 PolarHBondContact O-N 3.33Å; I899-H902 PolarHBondContact O-N 3.26Å; I899-H902 VanDerWaalsContact O-N 3.09Å; I899-M903 HydrophobicContact CG2-CG 4.19Å; I899-M903 HydrophobicContact CG2-SD 4.28Å; I899-M903 PolarHBondContact O-N 2.99Å
900	V	66.4	Low	69.2	Low	73 Å²	73	100.8 Å²	100.8	44%	0.442	49%	0.488	S	S	.	.	H	α-helix	trans	-54.7	-38.8	-179.9	179.6	0	0	0	0	112.1	N898 H902 M903 F904	N898-V900 PolarHBondContact O-N 2.96Å; V900-H902 PolarHBondContact O-N 2.94Å; V900-M903 PolarHBondContact O-N 3.14Å; V900-F904 HydrophobicContact CG1-CD2 3.63Å; V900-F904 HydrophobicContact CG1-CE2 3.34Å; V900-F904 HydrophobicContact CG1-CZ 4.31Å; V900-F904 WeakPolarHBondContact O-CD2 3.49Å; V900-F904 PolarHBondContact O-N 3.45Å
901	D	66.2	Low	68.6	Low	85 Å²	85	96.6 Å²	96.6	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-70	-34.8	179.9	-59.6	-20.9	0	0	0	111.5	N898 I899 K905	N898-D901 WeakPolarHBondContact CB-OD2 3.49Å; N898-D901 PolarHBondContact O-N 3.11Å; I899-D901 VanDerWaalsContact C-N 3.26Å; I899-D901 PolarHBondContact O-N 3.33Å; D901-K905 WeakPolarHBondContact O-CG 3.33Å; D901-K905 PolarHBondContact O-N 2.97Å
902	H	64.1	Low	68.4	Low	60 Å²	60	95.7 Å²	95.7	28%	0.278	48%	0.477	S	S	.	.	H	α-helix	trans	-72.1	-39.9	173.1	-170.7	-102.2	0	0	0	111.7	D722 I899 V900 F904 K905 M906	D722-H902 IonicContact OD2-CE1 3.08Å; D722-H902 PolarHBondContact OD2-CE1 2.9Å; D722-H902 IonicContact OD2-ND1 2.72Å; D722-H902 IonicContact OD2-NE2 3.64Å; I899-H902 PolarHBondContact O-N 3.26Å; I899-H902 VanDerWaalsContact O-N 3.09Å; V900-H902 PolarHBondContact O-N 2.94Å; H902-F904 VanDerWaalsContact C-N 3.34Å; H902-F904 PolarHBondContact O-N 3.5Å; H902-K905 PolarHBondContact O-N 2.81Å; H902-M906 WeakPolarHBondContact O-CG 3.27Å; H902-M906 PolarHBondContact O-N 2.86Å
903	M	66.2	Low	68.5	Low	63 Å²	63	98 Å²	98	31%	0.31	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-40.8	173.1	-74	-169.8	68.7	0	0	112.2	W762 I899 V900 M906 M907	W762-M903 HydrophobicContact CG-SD 4.27Å; W762-M903 PolarHBondContact NE1-SD 2.82Å; I899-M903 HydrophobicContact CG2-CG 4.19Å; I899-M903 HydrophobicContact CG2-SD 4.28Å; I899-M903 PolarHBondContact O-N 2.99Å; V900-M903 PolarHBondContact O-N 3.14Å; M903-M906 PolarHBondContact O-N 2.79Å; M903-M907 WeakPolarHBondContact O-CB 3.38Å; M903-M907 WeakPolarHBondContact O-CG 3.22Å; M903-M907 PolarHBondContact O-N 3.25Å
904	F	69	Low	68.8	Low	131 Å²	131	95.5 Å²	95.5	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-61.1	-47.3	174.5	-82.9	-55.7	0	0	0	111.7	V900 H902 M906 M907 E908	V900-F904 HydrophobicContact CG1-CD2 3.63Å; V900-F904 HydrophobicContact CG1-CE2 3.34Å; V900-F904 HydrophobicContact CG1-CZ 4.31Å; V900-F904 WeakPolarHBondContact O-CD2 3.49Å; V900-F904 PolarHBondContact O-N 3.45Å; H902-F904 VanDerWaalsContact C-N 3.34Å; H902-F904 PolarHBondContact O-N 3.5Å; F904-M906 VanDerWaalsContact C-N 3.31Å; F904-M906 PolarHBondContact O-N 3.31Å; F904-M907 PolarHBondContact O-N 3.46Å; F904-M907 VanDerWaalsContact O-N 3.17Å; F904-E908 VanDerWaalsContact O-CB 3.3Å; F904-E908 WeakPolarHBondContact O-CB 3.41Å; F904-E908 PolarHBondContact O-N 3.37Å
905	K	69.1	Low	69.7	Low	143 Å²	143	98.3 Å²	98.3	62%	0.622	48%	0.477	S	S	*	.	H	α-helix	trans	-58.4	-40.2	174.5	-73.1	176.5	-179.9	177.8	0	113.2	D901 H902 K909	D901-K905 WeakPolarHBondContact O-CG 3.33Å; D901-K905 PolarHBondContact O-N 2.97Å; H902-K905 PolarHBondContact O-N 2.81Å; K905-K909 WeakPolarHBondContact O-CB 3.38Å; K905-K909 PolarHBondContact O-N 3.48Å
906	M	65.3	Low	70.6	Confident	72 Å²	72	95 Å²	95	36%	0.355	47%	0.466	S	S	.	.	H	α-helix	trans	-66	-43.1	175.7	-74.5	-63.1	-55.6	0	0	111.7	H902 M903 F904 Y910	H902-M906 WeakPolarHBondContact O-CG 3.27Å; H902-M906 PolarHBondContact O-N 2.86Å; M903-M906 PolarHBondContact O-N 2.79Å; F904-M906 VanDerWaalsContact C-N 3.31Å; F904-M906 PolarHBondContact O-N 3.31Å; M906-Y910 HydrophobicContact CE-CD2 4.33Å; M906-Y910 HydrophobicContact CE-CE2 3.64Å; M906-Y910 WeakPolarHBondContact O-CD2 3.37Å; M906-Y910 PolarHBondContact O-N 2.98Å
907	M	70.8	Confident	71.6	Confident	122 Å²	122	91.6 Å²	91.6	60%	0.601	45%	0.453	S	S	*	.	H	α-helix	trans	-67.8	-39.5	177.7	-72.3	-178.5	69	0	0	112.5	M903 F904 Y910 S911	M903-M907 WeakPolarHBondContact O-CB 3.38Å; M903-M907 WeakPolarHBondContact O-CG 3.22Å; M903-M907 PolarHBondContact O-N 3.25Å; F904-M907 PolarHBondContact O-N 3.46Å; F904-M907 VanDerWaalsContact O-N 3.17Å; M907-Y910 PolarHBondContact O-N 3.29Å; M907-S911 PolarHBondContact O-N 3.22Å
908	E	74.6	Confident	72.5	Confident	142 Å²	142	93.4 Å²	93.4	66%	0.664	47%	0.466	S	S	*	.	H	α-helix	trans	-60.5	-47.5	174.6	-175.8	176	-154.1	0	0	110.8	F904 S911 A912	F904-E908 VanDerWaalsContact O-CB 3.3Å; F904-E908 WeakPolarHBondContact O-CB 3.41Å; F904-E908 PolarHBondContact O-N 3.37Å; E908-S911 PolarHBondContact O-N 2.84Å; E908-A912 PolarHBondContact O-N 2.99Å
909	K	75.1	Confident	73.7	Confident	128 Å²	128	95.2 Å²	95.2	56%	0.557	47%	0.467	S	S	*	.	H	α-helix	trans	-60.8	-45.9	174	-173.5	-179.6	177.5	-175.8	0	112.3	K905 S911 A912 D913	K905-K909 WeakPolarHBondContact O-CB 3.38Å; K905-K909 PolarHBondContact O-N 3.48Å; K909-S911 VanDerWaalsContact C-N 3.29Å; K909-S911 PolarHBondContact O-N 3.03Å; K909-A912 PolarHBondContact O-N 3.5Å; K909-D913 PolarHBondContact O-N 2.94Å
910	Y	73.2	Confident	74.8	Confident	157 Å²	157	97.4 Å²	97.4	62%	0.616	48%	0.481	S	S	*	.	H	α-helix	trans	-63.7	-32.7	177.2	-84	-60.2	0	0	0	112.9	M906 M907 L914	M906-Y910 HydrophobicContact CE-CD2 4.33Å; M906-Y910 HydrophobicContact CE-CE2 3.64Å; M906-Y910 WeakPolarHBondContact O-CD2 3.37Å; M906-Y910 PolarHBondContact O-N 2.98Å; M907-Y910 PolarHBondContact O-N 3.29Å; Y910-L914 VanDerWaalsContact O-CB 3.31Å; Y910-L914 WeakPolarHBondContact O-CB 3.2Å; Y910-L914 PolarHBondContact O-N 3.5Å; Y910-L914 VanDerWaalsContact O-N 3.14Å
911	S	74.9	Confident	75.6	Confident	55 Å²	55	100 Å²	100	39%	0.385	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-47.8	174.2	-158.4	0	0	0	0	111.1	M907 E908 K909 L914 E915	M907-S911 PolarHBondContact O-N 3.22Å; E908-S911 PolarHBondContact O-N 2.84Å; K909-S911 VanDerWaalsContact C-N 3.29Å; K909-S911 PolarHBondContact O-N 3.03Å; S911-L914 WeakPolarHBondContact O-CB 3.45Å; S911-L914 PolarHBondContact O-N 2.96Å; S911-L914 VanDerWaalsContact O-N 3.16Å; S911-E915 WeakPolarHBondContact O-CG 3.14Å; S911-E915 PolarHBondContact O-N 3.48Å; S911-E915 PolarHBondContact OG-OE1 3.23Å; S911-E915 VanDerWaalsContact OG-OE1 3.13Å
912	A	80.2	Confident	76.5	Confident	48 Å²	48	99.3 Å²	99.3	40%	0.397	48%	0.482	S	S	.	.	H	α-helix	trans	-61.1	-48	178.1	0	0	0	0	0	112.3	E908 K909 L914 E915 D916	E908-A912 PolarHBondContact O-N 2.99Å; K909-A912 PolarHBondContact O-N 3.5Å; A912-L914 PolarHBondContact O-N 3.18Å; A912-E915 PolarHBondContact O-N 3.3Å; A912-D916 PolarHBondContact O-N 3.16Å
913	D	81.4	Confident	77.7	Confident	72 Å²	72	101.8 Å²	101.8	39%	0.385	49%	0.493	S	S	.	.	H	α-helix	trans	-61.1	-28.7	176.5	-74.5	-1.3	0	0	0	112	K909 Q917	K909-D913 PolarHBondContact O-N 2.94Å; D913-Q917 WeakPolarHBondContact O-CG 3.41Å; D913-Q917 PolarHBondContact O-N 3.43Å; D913-Q917 PolarHBondContact O-NE2 2.99Å
914	L	77.6	Confident	78.7	Confident	108 Å²	108	103.9 Å²	103.9	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-79.7	-43.5	177	-163.1	89.9	0	0	0	112	Y910 S911 A912 D916 Q917 V918	Y910-L914 VanDerWaalsContact O-CB 3.31Å; Y910-L914 WeakPolarHBondContact O-CB 3.2Å; Y910-L914 PolarHBondContact O-N 3.5Å; Y910-L914 VanDerWaalsContact O-N 3.14Å; S911-L914 WeakPolarHBondContact O-CB 3.45Å; S911-L914 PolarHBondContact O-N 2.96Å; S911-L914 VanDerWaalsContact O-N 3.16Å; A912-L914 PolarHBondContact O-N 3.18Å; L914-D916 VanDerWaalsContact C-N 3.31Å; L914-D916 PolarHBondContact O-N 3.34Å; L914-Q917 PolarHBondContact O-N 3.32Å; L914-V918 WeakPolarHBondContact O-CG2 3.11Å; L914-V918 PolarHBondContact O-N 3.05Å
915	E	78.4	Confident	79.6	Confident	120 Å²	120	103.5 Å²	103.5	56%	0.561	51%	0.506	S	S	*	.	H	α-helix	trans	-60.3	-40.7	176.2	-75.6	169.3	-147.2	0	0	111.4	S911 A912 V918 R919	S911-E915 WeakPolarHBondContact O-CG 3.14Å; S911-E915 PolarHBondContact O-N 3.48Å; S911-E915 PolarHBondContact OG-OE1 3.23Å; S911-E915 VanDerWaalsContact OG-OE1 3.13Å; A912-E915 PolarHBondContact O-N 3.3Å; E915-V918 PolarHBondContact O-N 3.34Å; E915-R919 WeakPolarHBondContact O-CB 3.29Å; E915-R919 PolarHBondContact O-N 3.38Å
916	D	84.1	Confident	80.4	Confident	80 Å²	80	101.6 Å²	101.6	43%	0.428	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-44.2	173.4	-84.7	-0.5	0	0	0	112.4	A912 L914 R919 V920	A912-D916 PolarHBondContact O-N 3.16Å; L914-D916 VanDerWaalsContact C-N 3.31Å; L914-D916 PolarHBondContact O-N 3.34Å; D916-R919 VanDerWaalsContact CG-NH2 3.32Å; D916-R919 PolarHBondContact O-N 3.28Å; D916-R919 IonicContact OD1-CZ 2.73Å; D916-R919 IonicContact OD1-NH1 3.76Å; D916-R919 PolarHBondContact OD1-NH1 2.95Å; D916-R919 IonicContact OD1-NH2 2.69Å; D916-R919 PolarHBondContact OD1-NH2 3.29Å; D916-R919 IonicContact OD2-NH2 2.68Å; D916-V920 WeakPolarHBondContact O-CG2 3.5Å; D916-V920 PolarHBondContact O-N 3.34Å; D916-V920 VanDerWaalsContact O-N 3.14Å
917	Q	81.1	Confident	81.5	Confident	109 Å²	109	101.7 Å²	101.7	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-40.2	176.2	-76.7	172.3	72.4	0	0	112.6	D913 L914 R919 R921	D913-Q917 WeakPolarHBondContact O-CG 3.41Å; D913-Q917 PolarHBondContact O-N 3.43Å; D913-Q917 PolarHBondContact O-NE2 2.99Å; L914-Q917 PolarHBondContact O-N 3.32Å; Q917-R919 VanDerWaalsContact C-N 3.35Å; Q917-R921 WeakPolarHBondContact O-CG 3.38Å; Q917-R921 PolarHBondContact O-N 3.1Å; Q917-R921 VanDerWaalsContact O-N 3.12Å
918	V	81.2	Confident	82.2	Confident	86 Å²	86	100.8 Å²	100.8	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-41.1	176.5	170.1	0	0	0	0	110.8	L914 E915 T922	L914-V918 WeakPolarHBondContact O-CG2 3.11Å; L914-V918 PolarHBondContact O-N 3.05Å; E915-V918 PolarHBondContact O-N 3.34Å; V918-T922 WeakPolarHBondContact O-CB 3.39Å; V918-T922 PolarHBondContact O-N 2.69Å; V918-T922 PolarHBondContact O-OG1 2.83Å
919	R	84.1	Confident	82.8	Confident	123 Å²	123	99.9 Å²	99.9	46%	0.464	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-54.7	176.7	-177.6	175.2	65.1	-104.7	-0.2	111.6	E915 D916 Q917 R921 T922 E923	E915-R919 WeakPolarHBondContact O-CB 3.29Å; E915-R919 PolarHBondContact O-N 3.38Å; D916-R919 VanDerWaalsContact CG-NH2 3.32Å; D916-R919 PolarHBondContact O-N 3.28Å; D916-R919 IonicContact OD1-CZ 2.73Å; D916-R919 IonicContact OD1-NH1 3.76Å; D916-R919 PolarHBondContact OD1-NH1 2.95Å; D916-R919 IonicContact OD1-NH2 2.69Å; D916-R919 PolarHBondContact OD1-NH2 3.29Å; D916-R919 IonicContact OD2-NH2 2.68Å; Q917-R919 VanDerWaalsContact C-N 3.35Å; R919-R921 VanDerWaalsContact C-N 3.34Å; R919-R921 PolarHBondContact O-N 2.98Å; R919-T922 WeakPolarHBondContact O-CB 3.37Å; R919-T922 PolarHBondContact O-N 3.21Å; R919-E923 WeakPolarHBondContact CG-OE1 3.15Å; R919-E923 PolarHBondContact O-N 3.2Å; R919-E923 VanDerWaalsContact O-N 3.09Å
920	V	87.4	Confident	83.4	Confident	69 Å²	69	99.6 Å²	99.6	42%	0.418	49%	0.491	S	S	.	.	H	α-helix	trans	-58.1	-44.6	-179.4	174.1	0	0	0	0	111.6	D916 T922 E923 E924	D916-V920 WeakPolarHBondContact O-CG2 3.5Å; D916-V920 PolarHBondContact O-N 3.34Å; D916-V920 VanDerWaalsContact O-N 3.14Å; V920-T922 VanDerWaalsContact C-N 3.28Å; V920-T922 PolarHBondContact O-N 2.97Å; V920-E923 PolarHBondContact O-N 2.78Å; V920-E924 WeakPolarHBondContact O-CG 3.25Å; V920-E924 PolarHBondContact O-N 3.08Å; V920-E924 VanDerWaalsContact O-N 3.07Å
921	R	82.6	Confident	84	Confident	128 Å²	128	97.4 Å²	97.4	48%	0.483	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-27.8	177.5	-70.8	-57.3	-170.9	93.4	1.7	113.9	Q917 R919 E924 L925	Q917-R921 WeakPolarHBondContact O-CG 3.38Å; Q917-R921 PolarHBondContact O-N 3.1Å; Q917-R921 VanDerWaalsContact O-N 3.12Å; R919-R921 VanDerWaalsContact C-N 3.34Å; R919-R921 PolarHBondContact O-N 2.98Å; R921-E924 WeakPolarHBondContact CD-OE2 3.32Å; R921-E924 IonicContact NE-OE2 3.09Å; R921-L925 WeakPolarHBondContact O-CB 3.37Å; R921-L925 PolarHBondContact O-N 3.43Å
922	T	85.9	Confident	84.5	Confident	69 Å²	69	98.1 Å²	98.1	42%	0.423	49%	0.486	S	S	.	.	H	α-helix	trans	-73.3	-42.5	176.4	-54.9	0	0	0	0	110.6	V918 R919 V920 L925 E926	V918-T922 WeakPolarHBondContact O-CB 3.39Å; V918-T922 PolarHBondContact O-N 2.69Å; V918-T922 PolarHBondContact O-OG1 2.83Å; R919-T922 WeakPolarHBondContact O-CB 3.37Å; R919-T922 PolarHBondContact O-N 3.21Å; V920-T922 VanDerWaalsContact C-N 3.28Å; V920-T922 PolarHBondContact O-N 2.97Å; T922-L925 PolarHBondContact O-N 2.99Å; T922-E926 PolarHBondContact O-N 3.32Å
923	E	89.8	Confident	84.7	Confident	112 Å²	112	98.9 Å²	98.9	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-61.6	-45.8	175.2	-68.2	172	-162.7	0	0	111.9	R919 V920 L925 E926 T927	R919-E923 WeakPolarHBondContact CG-OE1 3.15Å; R919-E923 PolarHBondContact O-N 3.2Å; R919-E923 VanDerWaalsContact O-N 3.09Å; V920-E923 PolarHBondContact O-N 2.78Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-L925 PolarHBondContact O-N 2.98Å; E923-E926 PolarHBondContact O-N 2.88Å; E923-T927 WeakPolarHBondContact O-CG2 3.47Å; E923-T927 PolarHBondContact O-N 2.81Å; E923-T927 VanDerWaalsContact O-N 3.14Å
924	E	87.5	Confident	84.9	Confident	107 Å²	107	99.8 Å²	99.8	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-54.9	-48	174.6	-73.7	177.3	170.7	0	0	111.7	V920 R921 E926 T927 E928	V920-E924 WeakPolarHBondContact O-CG 3.25Å; V920-E924 PolarHBondContact O-N 3.08Å; V920-E924 VanDerWaalsContact O-N 3.07Å; R921-E924 WeakPolarHBondContact CD-OE2 3.32Å; R921-E924 IonicContact NE-OE2 3.09Å; E924-E926 PolarHBondContact O-N 2.62Å; E924-T927 PolarHBondContact O-N 3.43Å; E924-T927 PolarHBondContact O-OG1 3.03Å; E924-E928 PolarHBondContact O-N 3.07Å; E924-E928 VanDerWaalsContact O-N 3.17Å
925	L	87.1	Confident	85.3	Confident	124 Å²	124	99.5 Å²	99.5	65%	0.649	49%	0.485	S	S	*	.	H	α-helix	trans	-61.6	-41.4	180	-179.7	63.3	0	0	0	112.5	R921 T922 E923 E928 K929	R921-L925 WeakPolarHBondContact O-CB 3.37Å; R921-L925 PolarHBondContact O-N 3.43Å; T922-L925 PolarHBondContact O-N 2.99Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-L925 PolarHBondContact O-N 2.98Å; L925-E928 PolarHBondContact O-N 3.23Å; L925-K929 WeakPolarHBondContact O-CB 3.17Å; L925-K929 PolarHBondContact O-N 2.88Å
926	E	86	Confident	85.6	Confident	103 Å²	103	96.3 Å²	96.3	48%	0.481	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-40.1	176.2	-75.9	-166.2	-170.3	0	0	112.8	T922 E923 E924 K929 K930	T922-E926 PolarHBondContact O-N 3.32Å; E923-E926 PolarHBondContact O-N 2.88Å; E924-E926 PolarHBondContact O-N 2.62Å; E926-K929 PolarHBondContact O-N 3.31Å; E926-K930 WeakPolarHBondContact O-CG 3.22Å; E926-K930 PolarHBondContact O-N 3.47Å; E926-K930 IonicContact OE2-NZ 3.2Å
927	T	89.1	Confident	85.6	Confident	73 Å²	73	94.7 Å²	94.7	45%	0.448	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-39.6	179.2	66.3	0	0	0	0	112.1	E923 E924 K930 K931	E923-T927 WeakPolarHBondContact O-CG2 3.47Å; E923-T927 PolarHBondContact O-N 2.81Å; E923-T927 VanDerWaalsContact O-N 3.14Å; E924-T927 PolarHBondContact O-N 3.43Å; E924-T927 PolarHBondContact O-OG1 3.03Å; T927-K930 PolarHBondContact O-N 2.94Å; T927-K931 WeakPolarHBondContact O-CG 3.38Å; T927-K931 PolarHBondContact O-N 3.46Å
928	E	85.3	Confident	85.6	Confident	103 Å²	103	98.8 Å²	98.8	48%	0.481	48%	0.479	S	S	.	.	H	α-helix	trans	-72.9	-34	179.1	-159.5	63.8	-168.8	0	0	112.1	E924 L925 K931 T932	E924-E928 PolarHBondContact O-N 3.07Å; E924-E928 VanDerWaalsContact O-N 3.17Å; L925-E928 PolarHBondContact O-N 3.23Å; E928-K931 PolarHBondContact O-N 2.79Å; E928-K931 WeakPolarHBondContact OE2-CD 3.32Å; E928-K931 WeakPolarHBondContact OE2-CE 3.49Å; E928-K931 IonicContact OE2-NZ 2.71Å; E928-K931 PolarHBondContact OE2-NZ 3.18Å; E928-T932 PolarHBondContact O-N 3.28Å; E928-T932 VanDerWaalsContact O-N 3.08Å; E928-T932 PolarHBondContact O-OG1 2.92Å
929	K	86.3	Confident	85.7	Confident	124 Å²	124	100.3 Å²	100.3	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-50.4	170.7	-170.9	176.6	-175.4	-90.8	0	111.2	L925 E926 K931 T932 E933	L925-K929 WeakPolarHBondContact O-CB 3.17Å; L925-K929 PolarHBondContact O-N 2.88Å; E926-K929 PolarHBondContact O-N 3.31Å; K929-K931 VanDerWaalsContact C-N 3.35Å; K929-K931 PolarHBondContact O-N 3.45Å; K929-T932 WeakPolarHBondContact O-CB 3.28Å; K929-T932 PolarHBondContact O-N 3.23Å; K929-E933 WeakPolarHBondContact CE-OE1 3.47Å; K929-E933 HydrophobicContact CG-CG 4.43Å; K929-E933 IonicContact NZ-OE1 2.73Å; K929-E933 PolarHBondContact NZ-OE1 3.26Å; K929-E933 WeakPolarHBondContact O-CG 3.46Å; K929-E933 PolarHBondContact O-N 3.45Å
930	K	87.2	Confident	85.8	Confident	121 Å²	121	94.8 Å²	94.8	53%	0.526	46%	0.462	S	S	.	.	H	α-helix	trans	-59	-40.7	179	-73.6	167.8	-174.8	160.9	0	112.9	E926 T927 T932 L934	E926-K930 WeakPolarHBondContact O-CG 3.22Å; E926-K930 PolarHBondContact O-N 3.47Å; E926-K930 IonicContact OE2-NZ 3.2Å; T927-K930 PolarHBondContact O-N 2.94Å; K930-T932 VanDerWaalsContact C-N 3.34Å; K930-L934 WeakPolarHBondContact O-CB 3.49Å; K930-L934 PolarHBondContact O-N 2.82Å; K930-L934 VanDerWaalsContact O-N 3.08Å
931	K	86.9	Confident	85.8	Confident	111 Å²	111	91.6 Å²	91.6	48%	0.483	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-43	173.8	-67.1	173.6	-152.8	158.4	0	111.6	T927 E928 K929 L934 L935	T927-K931 WeakPolarHBondContact O-CG 3.38Å; T927-K931 PolarHBondContact O-N 3.46Å; E928-K931 PolarHBondContact O-N 2.79Å; E928-K931 WeakPolarHBondContact OE2-CD 3.32Å; E928-K931 WeakPolarHBondContact OE2-CE 3.49Å; E928-K931 IonicContact OE2-NZ 2.71Å; E928-K931 PolarHBondContact OE2-NZ 3.18Å; K929-K931 VanDerWaalsContact C-N 3.35Å; K929-K931 PolarHBondContact O-N 3.45Å; K931-L934 PolarHBondContact O-N 2.87Å; K931-L935 VanDerWaalsContact O-CG 3.31Å; K931-L935 WeakPolarHBondContact O-CG 3.31Å; K931-L935 PolarHBondContact O-N 3.21Å
932	T	84.8	Confident	86	Confident	70 Å²	70	89.5 Å²	89.5	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-45.6	-179.5	-54.6	0	0	0	0	111.2	E928 K929 K930 L934 L935 I936	E928-T932 PolarHBondContact O-N 3.28Å; E928-T932 VanDerWaalsContact O-N 3.08Å; E928-T932 PolarHBondContact O-OG1 2.92Å; K929-T932 WeakPolarHBondContact O-CB 3.28Å; K929-T932 PolarHBondContact O-N 3.23Å; K930-T932 VanDerWaalsContact C-N 3.34Å; T932-L934 PolarHBondContact O-N 2.86Å; T932-L935 PolarHBondContact O-N 3.02Å; T932-I936 HydrophobicContact CG2-CD1 4.05Å; T932-I936 WeakPolarHBondContact O-CG1 3.09Å; T932-I936 PolarHBondContact O-N 3.01Å
933	E	84.8	Confident	86	Confident	64 Å²	64	89.7 Å²	89.7	30%	0.299	45%	0.446	S	S	.	.	H	α-helix	trans	-58.3	-46.8	175.9	-68.6	169.5	163.4	0	0	111.5	K929 L935 I936 A937 M949	K929-E933 WeakPolarHBondContact CE-OE1 3.47Å; K929-E933 HydrophobicContact CG-CG 4.43Å; K929-E933 IonicContact NZ-OE1 2.73Å; K929-E933 PolarHBondContact NZ-OE1 3.26Å; K929-E933 WeakPolarHBondContact O-CG 3.46Å; K929-E933 PolarHBondContact O-N 3.45Å; E933-L935 PolarHBondContact O-N 3.33Å; E933-I936 PolarHBondContact O-N 3.33Å; E933-A937 WeakPolarHBondContact O-CB 3.36Å; E933-A937 PolarHBondContact O-N 3.13Å; E933-M949 HydrophobicContact CB-SD 3.74Å; E933-M949 HydrophobicContact CG-SD 3.75Å
934	L	86.1	Confident	85.8	Confident	91 Å²	91	84.7 Å²	84.7	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-65.7	-34.8	178.8	-172.3	151.2	0	0	0	113	K930 K931 T932 R938	K930-L934 WeakPolarHBondContact O-CB 3.49Å; K930-L934 PolarHBondContact O-N 2.82Å; K930-L934 VanDerWaalsContact O-N 3.08Å; K931-L934 PolarHBondContact O-N 2.87Å; T932-L934 PolarHBondContact O-N 2.86Å; L934-R938 WeakPolarHBondContact O-CG 3.39Å; L934-R938 PolarHBondContact O-N 3.1Å
935	L	86.1	Confident	85.9	Confident	103 Å²	103	79.6 Å²	79.6	54%	0.539	40%	0.4	S	S	.	.	H	α-helix	trans	-68.7	-42.5	174.2	-74.8	168.5	0	0	0	112	K931 T932 E933 R938 M939	K931-L935 VanDerWaalsContact O-CG 3.31Å; K931-L935 WeakPolarHBondContact O-CG 3.31Å; K931-L935 PolarHBondContact O-N 3.21Å; T932-L935 PolarHBondContact O-N 3.02Å; E933-L935 PolarHBondContact O-N 3.33Å; L935-R938 PolarHBondContact O-N 3.09Å; L935-M939 WeakPolarHBondContact O-CG 3.48Å; L935-M939 PolarHBondContact O-N 2.92Å
936	I	85	Confident	85.8	Confident	53 Å²	53	79.9 Å²	79.9	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-62.8	-44.5	177.3	-65.2	165.8	0	0	0	110.4	T932 E933 R938 M939 L940 A945 M949	T932-I936 HydrophobicContact CG2-CD1 4.05Å; T932-I936 WeakPolarHBondContact O-CG1 3.09Å; T932-I936 PolarHBondContact O-N 3.01Å; E933-I936 PolarHBondContact O-N 3.33Å; I936-R938 PolarHBondContact O-N 2.91Å; I936-M939 PolarHBondContact O-N 3.2Å; I936-M939 VanDerWaalsContact O-N 3.1Å; I936-L940 PolarHBondContact O-N 3.39Å; I936-A945 HydrophobicContact CG2-CB 3.93Å; I936-M949 HydrophobicContact CD1-CG 4.16Å; I936-M949 HydrophobicContact CG2-CG 4.3Å
937	A	82.6	Confident	85.8	Confident	45 Å²	45	77.2 Å²	77.2	37%	0.372	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-15.9	177.7	0	0	0	0	0	114.5	E933	E933-A937 WeakPolarHBondContact O-CB 3.36Å; E933-A937 PolarHBondContact O-N 3.13Å
938	R	82.2	Confident	85.6	Confident	196 Å²	196	76.5 Å²	76.5	74%	0.74	38%	0.382	S	S	*	.	H	α-helix	trans	-91.9	-16.7	172.8	-77.3	178.9	172.8	178.8	-2.7	114.1	L934 L935 I936	L934-R938 WeakPolarHBondContact O-CG 3.39Å; L934-R938 PolarHBondContact O-N 3.1Å; L935-R938 PolarHBondContact O-N 3.09Å; I936-R938 PolarHBondContact O-N 2.91Å
939	M	82.6	Confident	85.5	Confident	118 Å²	118	75.3 Å²	75.3	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-98.3	-17.6	-176.9	-73.8	-175.7	62.2	0	0	113.9	L935 I936	L935-M939 WeakPolarHBondContact O-CG 3.48Å; L935-M939 PolarHBondContact O-N 2.92Å; I936-M939 PolarHBondContact O-N 3.2Å; I936-M939 VanDerWaalsContact O-N 3.1Å
940	L	87	Confident	85.4	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.037	37%	0.373	C	S	.	.	S	Bend	trans	-141.6	158.6	-172.4	-66.4	174.1	0	0	0	109.8	I936 V944 A945 L948 P1077	I936-L940 PolarHBondContact O-N 3.39Å; L940-V944 HydrophobicContact CB-CG1 4.37Å; L940-V944 HydrophobicContact CD1-CG1 4.37Å; L940-A945 HydrophobicContact CB-CB 4.5Å; L940-L948 HydrophobicContact CD1-CD1 3.34Å; L940-P1077 HydrophobicContact CD1-CB 4.25Å; L940-P1077 HydrophobicContact CD1-CG 4.19Å
941	P	86.6	Confident	85.1	Confident	2 Å²	2	70 Å²	70	1%	0.013	38%	0.382	C	S	.	.			trans	-57.3	142.3	174.7	-14.4	23	0	0	0	111	V943 V944 A945 Y1005 P1021 Y1079	P941-V943 VanDerWaalsContact C-N 3.32Å; P941-V943 PolarHBondContact O-N 3.48Å; P941-V943 VanDerWaalsContact O-N 3.17Å; P941-V944 HydrophobicContact CB-CB 4.32Å; P941-V944 HydrophobicContact CB-CG2 4.1Å; P941-V944 HydrophobicContact CG-CB 4.27Å; P941-V944 HydrophobicContact CG-CG2 3.93Å; P941-V944 WeakPolarHBondContact O-CA 3.32Å; P941-V944 WeakPolarHBondContact O-CB 3.3Å; P941-V944 PolarHBondContact O-N 3.2Å; P941-A945 PolarHBondContact O-N 3.41Å; P941-Y1005 HydrophobicContact CB-CD2 4.31Å; P941-Y1005 HydrophobicContact CB-CE2 4.08Å; P941-Y1005 WeakPolarHBondContact CD-OH 3.44Å; P941-Y1005 HydrophobicContact CG-CD2 4.03Å; P941-Y1005 HydrophobicContact CG-CE1 4.12Å; P941-Y1005 HydrophobicContact CG-CE2 3.54Å; P941-P1021 HydrophobicContact CB-CG 3.7Å; P941-P1021 HydrophobicContact CG-CG 4.27Å; P941-Y1079 HydrophobicContact CG-CD1 3.47Å; P941-Y1079 VanDerWaalsContact CG-CD1 3.47Å; P941-Y1079 HydrophobicContact CG-CE1 3.91Å; P941-Y1079 HydrophobicContact CG-CG 3.89Å
942	P	86.1	Confident	84.9	Confident	84 Å²	84	71 Å²	71	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-51.6	-44.5	-174.8	-31.1	36.2	0	0	0	114.7	V944 A945 E946	P942-V944 VanDerWaalsContact C-N 3.27Å; P942-V944 PolarHBondContact O-N 2.89Å; P942-A945 WeakPolarHBondContact O-CB 3.19Å; P942-A945 PolarHBondContact O-N 3.28Å; P942-E946 WeakPolarHBondContact O-CG 3.36Å; P942-E946 PolarHBondContact O-N 2.96Å
943	V	86.2	Confident	84.6	Confident	72 Å²	72	73 Å²	73	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-36.8	177.8	-175.1	0	0	0	0	112.5	P941 T947 I1022	P941-V943 VanDerWaalsContact C-N 3.32Å; P941-V943 PolarHBondContact O-N 3.48Å; P941-V943 VanDerWaalsContact O-N 3.17Å; V943-T947 PolarHBondContact O-N 2.91Å; V943-T947 PolarHBondContact O-OG1 3.13Å; V943-I1022 HydrophobicContact CG2-CD1 4.4Å; V943-I1022 HydrophobicContact CG2-CG1 4.33Å
944	V	87.3	Confident	84.5	Confident	7 Å²	7	71.6 Å²	71.6	4%	0.042	40%	0.396	C	S	.	.	H	α-helix	trans	-76.5	-41.7	178.7	175.6	0	0	0	0	110.2	L940 P941 P942 T947 L948 V954 V1071 Y1079	L940-V944 HydrophobicContact CB-CG1 4.37Å; L940-V944 HydrophobicContact CD1-CG1 4.37Å; P941-V944 HydrophobicContact CB-CB 4.32Å; P941-V944 HydrophobicContact CB-CG2 4.1Å; P941-V944 HydrophobicContact CG-CB 4.27Å; P941-V944 HydrophobicContact CG-CG2 3.93Å; P941-V944 WeakPolarHBondContact O-CA 3.32Å; P941-V944 WeakPolarHBondContact O-CB 3.3Å; P941-V944 PolarHBondContact O-N 3.2Å; P942-V944 VanDerWaalsContact C-N 3.27Å; P942-V944 PolarHBondContact O-N 2.89Å; V944-T947 PolarHBondContact O-N 2.89Å; V944-L948 HydrophobicContact CG1-CD1 4.33Å; V944-L948 WeakPolarHBondContact O-CG 3.32Å; V944-L948 PolarHBondContact O-N 3.09Å; V944-L948 VanDerWaalsContact O-N 3.09Å; V944-V954 HydrophobicContact CG1-CG1 4.3Å; V944-V954 HydrophobicContact CG1-CG2 4.07Å; V944-V1071 HydrophobicContact CG1-CG2 3.32Å; V944-Y1079 HydrophobicContact CG1-CD2 4.33Å; V944-Y1079 HydrophobicContact CG2-CD2 3.94Å; V944-Y1079 HydrophobicContact CG2-CE2 3.76Å; V944-Y1079 HydrophobicContact CG2-CG 4.47Å
945	A	87.7	Confident	84.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.008	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-48.3	175.6	0	0	0	0	0	111.7	I936 L940 P941 P942 T947 L948 M949	I936-A945 HydrophobicContact CG2-CB 3.93Å; L940-A945 HydrophobicContact CB-CB 4.5Å; P941-A945 PolarHBondContact O-N 3.41Å; P942-A945 WeakPolarHBondContact O-CB 3.19Å; P942-A945 PolarHBondContact O-N 3.28Å; A945-T947 VanDerWaalsContact C-N 3.33Å; A945-T947 PolarHBondContact O-N 3.2Å; A945-L948 PolarHBondContact O-N 3.49Å; A945-M949 HydrophobicContact CB-CE 4.24Å; A945-M949 WeakPolarHBondContact O-CB 3.45Å; A945-M949 VanDerWaalsContact O-CG 3.28Å; A945-M949 WeakPolarHBondContact O-CG 3.28Å; A945-M949 PolarHBondContact O-N 3.25Å
946	E	86.4	Confident	84.6	Confident	129 Å²	129	71.6 Å²	71.6	60%	0.603	41%	0.409	S	S	*	.	H	α-helix	trans	-59	-42.4	176.4	-74.4	177.5	-170.6	0	0	112.5	P942 L948 M949 S950	P942-E946 WeakPolarHBondContact O-CG 3.36Å; P942-E946 PolarHBondContact O-N 2.96Å; E946-L948 PolarHBondContact O-N 3.5Å; E946-M949 HydrophobicContact CG-CE 4.27Å; E946-M949 PolarHBondContact O-N 2.93Å; E946-S950 WeakPolarHBondContact O-CB 3.33Å; E946-S950 PolarHBondContact O-N 2.89Å
947	T	85.8	Confident	84.9	Confident	47 Å²	47	72.8 Å²	72.8	29%	0.288	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-46.6	177.8	-60	0	0	0	0	110.9	V943 V944 A945 S950 K952 V954	V943-T947 PolarHBondContact O-N 2.91Å; V943-T947 PolarHBondContact O-OG1 3.13Å; V944-T947 PolarHBondContact O-N 2.89Å; A945-T947 VanDerWaalsContact C-N 3.33Å; A945-T947 PolarHBondContact O-N 3.2Å; T947-S950 PolarHBondContact O-N 3.34Å; T947-S950 PolarHBondContact O-OG 2.86Å; T947-K952 HydrophobicContact CG2-CB 3.99Å; T947-K952 PolarHBondContact O-N 2.99Å; T947-V954 HydrophobicContact CG2-CG2 3.73Å
948	L	83.8	Confident	85.5	Confident	59 Å²	59	73.5 Å²	73.5	31%	0.309	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-42.1	175.9	-69.6	169.7	0	0	0	112.7	L940 V944 A945 E946 S950 G951 V954	L940-L948 HydrophobicContact CD1-CD1 3.34Å; V944-L948 HydrophobicContact CG1-CD1 4.33Å; V944-L948 WeakPolarHBondContact O-CG 3.32Å; V944-L948 PolarHBondContact O-N 3.09Å; V944-L948 VanDerWaalsContact O-N 3.09Å; A945-L948 PolarHBondContact O-N 3.49Å; E946-L948 PolarHBondContact O-N 3.5Å; L948-S950 PolarHBondContact O-N 3.12Å; L948-G951 PolarHBondContact O-N 3.24Å; L948-V954 HydrophobicContact CD1-CG2 4.43Å; L948-V954 HydrophobicContact CD2-CG2 3.81Å; L948-V954 HydrophobicContact CG-CG2 3.71Å
949	M	83.8	Confident	86.1	Confident	77 Å²	77	64.2 Å²	64.2	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-28.1	176.4	-72.2	-173.2	-67.4	0	0	112.4	E933 I936 A945 E946 G951	E933-M949 HydrophobicContact CB-SD 3.74Å; E933-M949 HydrophobicContact CG-SD 3.75Å; I936-M949 HydrophobicContact CD1-CG 4.16Å; I936-M949 HydrophobicContact CG2-CG 4.3Å; A945-M949 HydrophobicContact CB-CE 4.24Å; A945-M949 WeakPolarHBondContact O-CB 3.45Å; A945-M949 VanDerWaalsContact O-CG 3.28Å; A945-M949 WeakPolarHBondContact O-CG 3.28Å; A945-M949 PolarHBondContact O-N 3.25Å; E946-M949 HydrophobicContact CG-CE 4.27Å; E946-M949 PolarHBondContact O-N 2.93Å; M949-G951 PolarHBondContact O-N 3.36Å
950	S	83.8	Confident	86.6	Confident	65 Å²	65	65 Å²	65	46%	0.455	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.7	171.8	80.3	0	0	0	0	114.6	E946 T947 L948 K952	E946-S950 WeakPolarHBondContact O-CB 3.33Å; E946-S950 PolarHBondContact O-N 2.89Å; T947-S950 PolarHBondContact O-N 3.34Å; T947-S950 PolarHBondContact O-OG 2.86Å; L948-S950 PolarHBondContact O-N 3.12Å; S950-K952 VanDerWaalsContact C-N 3.27Å; S950-K952 PolarHBondContact O-N 3.32Å; S950-K952 WeakPolarHBondContact OG-CD 3.11Å; S950-K952 WeakPolarHBondContact OG-CG 3.37Å
951	G	81.9	Confident	86.9	Confident	69 Å²	69	68.5 Å²	68.5	71%	0.711	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	12.3	-178.5	0	0	0	0	0	114.4	L948 M949	L948-G951 PolarHBondContact O-N 3.24Å; M949-G951 PolarHBondContact O-N 3.36Å
952	K	81.6	Confident	87.4	Confident	133 Å²	133	68.4 Å²	68.4	58%	0.578	41%	0.406	S	S	*	.			trans	-93.3	141.4	179.8	-64.2	174.3	-169.2	166.4	0	110.6	T947 S950	T947-K952 HydrophobicContact CG2-CB 3.99Å; T947-K952 PolarHBondContact O-N 2.99Å; S950-K952 VanDerWaalsContact C-N 3.27Å; S950-K952 PolarHBondContact O-N 3.32Å; S950-K952 WeakPolarHBondContact OG-CD 3.11Å; S950-K952 WeakPolarHBondContact OG-CG 3.37Å
953	P	79.3	Confident	87.9	Confident	112 Å²	112	64.4 Å²	64.4	73%	0.727	38%	0.38	S	S	*	.			trans	-67	141.1	169.5	30	-34.1	0	0	0	110.1
954	V	82.6	Confident	88.4	Confident	33 Å²	33	61 Å²	61	20%	0.2	36%	0.359	C	S	.	.			trans	-87.9	109.5	172.9	179.6	0	0	0	0	108.4	V944 T947 L948 V1071	V944-V954 HydrophobicContact CG1-CG1 4.3Å; V944-V954 HydrophobicContact CG1-CG2 4.07Å; T947-V954 HydrophobicContact CG2-CG2 3.73Å; L948-V954 HydrophobicContact CD1-CG2 4.43Å; L948-V954 HydrophobicContact CD2-CG2 3.81Å; L948-V954 HydrophobicContact CG-CG2 3.71Å; V954-V1071 HydrophobicContact CB-CB 4.36Å; V954-V1071 HydrophobicContact CB-CG2 3.94Å; V954-V1071 HydrophobicContact CG1-CG2 3.91Å; V954-V1071 HydrophobicContact CG2-CG2 4.23Å
955	C	84.8	Confident	88.9	Confident	97 Å²	97	60.7 Å²	60.7	66%	0.655	36%	0.357	S	S	*	.			trans	-70.2	145.1	173.5	-65.6	0	0	0	0	110.7
956	P	89.3	Confident	89.2	Confident	98 Å²	98	61.1 Å²	61.1	64%	0.636	36%	0.359	S	S	*	.			trans	-60.6	141	168	-21.3	33.2	0	0	0	111.4	V1068 A1069	P956-V1068 HydrophobicContact CB-CG1 4.12Å; P956-A1069 CarbonylContact C-O 3.53Å; P956-A1069 WeakPolarHBondContact CA-O 3.3Å
957	E	92.5	Very high	89.6	Confident	78 Å²	78	55 Å²	55	36%	0.364	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.6	-176.6	-177.4	173.8	-174.7	0	0	110.8	F959 R1023 V1068 A1069	E957-F959 HydrophobicContact CB-CE2 3.81Å; E957-F959 HydrophobicContact CB-CZ 4.2Å; E957-F959 HydrophobicContact CG-CD2 4.42Å; E957-F959 HydrophobicContact CG-CE2 3.73Å; E957-F959 HydrophobicContact CG-CZ 3.81Å; E957-R1023 IonicContact OE1-CZ 3.45Å; E957-R1023 IonicContact OE1-NH1 3.77Å; E957-R1023 PolarHBondContact OE1-NH1 3.34Å; E957-R1023 IonicContact OE1-NH2 2.71Å; E957-R1023 PolarHBondContact OE1-NH2 3.34Å; E957-V1068 CarbonylContact O-C 3.58Å; E957-V1068 WeakPolarHBondContact O-CA 3.45Å; E957-A1069 PolarHBondContact N-O 2.85Å; E957-A1069 PolarHBondContact O-N 2.86Å
958	A	93.8	Very high	89.9	Confident	59 Å²	59	54.5 Å²	54.5	49%	0.488	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135	175.5	0	0	0	0	0	111	R1023 V1068	A958-R1023 PolarHBondContact O-NH2 3.36Å; A958-V1068 HydrophobicContact CB-CG2 4.3Å
959	F	95.1	Very high	90.2	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.9	177.5	-64.8	-92.8	0	0	0	108.6	E957 V962 L1020 P1021 R1023 S1066 C1067 A1069	E957-F959 HydrophobicContact CB-CE2 3.81Å; E957-F959 HydrophobicContact CB-CZ 4.2Å; E957-F959 HydrophobicContact CG-CD2 4.42Å; E957-F959 HydrophobicContact CG-CE2 3.73Å; E957-F959 HydrophobicContact CG-CZ 3.81Å; F959-V962 HydrophobicContact CB-CG1 3.76Å; F959-V962 HydrophobicContact CG-CG1 4.42Å; F959-L1020 HydrophobicContact CD1-CB 3.63Å; F959-L1020 HydrophobicContact CD2-CB 4.07Å; F959-L1020 HydrophobicContact CD2-CD2 4.19Å; F959-L1020 HydrophobicContact CE1-CB 3.64Å; F959-L1020 HydrophobicContact CE2-CB 4.08Å; F959-L1020 HydrophobicContact CG-CB 3.87Å; F959-L1020 HydrophobicContact CG-CD2 4.37Å; F959-L1020 HydrophobicContact CZ-CB 3.88Å; F959-P1021 WeakPolarHBondContact CE1-O 3.39Å; F959-R1023 HydrophobicContact CD1-CG 3.89Å; F959-R1023 HydrophobicContact CE1-CG 4.13Å; F959-S1066 CarbonylContact O-C 3.6Å; F959-S1066 WeakPolarHBondContact O-CA 3.49Å; F959-S1066 WeakPolarHBondContact O-CB 3.47Å; F959-C1067 PolarHBondContact N-O 3.24Å; F959-C1067 PolarHBondContact O-N 3.2Å; F959-A1069 HydrophobicContact CD2-CB 4.25Å; F959-A1069 HydrophobicContact CE2-CB 3.97Å
960	D	92.9	Very high	90.5	Very high	133 Å²	133	49.5 Å²	49.5	71%	0.711	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	-35.3	-173.6	-57.1	-58	0	0	0	112.6	S1066	D960-S1066 VanDerWaalsContact O-CA 3.29Å; D960-S1066 WeakPolarHBondContact O-CA 3.24Å; D960-S1066 VanDerWaalsContact O-CB 3.23Å; D960-S1066 WeakPolarHBondContact O-CB 3.17Å; D960-S1066 PolarHBondContact O-N 2.79Å
961	E	93.3	Very high	90.6	Very high	82 Å²	82	47 Å²	47	38%	0.383	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	123.7	-179.6	-144.9	178	-172.4	0	0	110.1	H1028 I1110	E961-H1028 WeakPolarHBondContact CG-NE2 3.1Å; E961-I1110 WeakPolarHBondContact OE1-CD1 3.04Å
962	V	96.8	Very high	90.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.1	172.3	-60.5	0	0	0	0	109	F959 I964 V1017 S1018 L1020 S1064 G1065 C1067	F959-V962 HydrophobicContact CB-CG1 3.76Å; F959-V962 HydrophobicContact CG-CG1 4.42Å; V962-I964 HydrophobicContact CG2-CG1 4.24Å; V962-V1017 HydrophobicContact CB-CG2 4.03Å; V962-V1017 HydrophobicContact CG2-CG2 4.24Å; V962-S1018 WeakPolarHBondContact CA-O 3.4Å; V962-S1018 VanDerWaalsContact CB-O 3.32Å; V962-S1018 WeakPolarHBondContact CB-O 3.06Å; V962-L1020 HydrophobicContact CG1-CB 4.19Å; V962-L1020 HydrophobicContact CG1-CD2 3.91Å; V962-L1020 HydrophobicContact CG1-CG 4.3Å; V962-S1064 WeakPolarHBondContact O-CA 3.32Å; V962-G1065 WeakPolarHBondContact CG2-O 3.28Å; V962-G1065 PolarHBondContact N-O 2.94Å; V962-G1065 PolarHBondContact O-N 3.46Å; V962-C1067 HydrophobicContact CG2-CB 4.34Å
963	T	97.7	Very high	91.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128	166.2	-62.7	0	0	0	0	109.8	V1017 S1018 H1028 A1029 I1032 H1063 S1064 T1107	T963-V1017 WeakPolarHBondContact O-CA 3.49Å; T963-V1017 WeakPolarHBondContact O-CG2 3.3Å; T963-S1018 PolarHBondContact N-O 3.03Å; T963-S1018 PolarHBondContact O-N 3.32Å; T963-H1028 PolarHBondContact N-ND1 2.94Å; T963-H1028 PolarHBondContact OG1-ND1 2.84Å; T963-A1029 VanDerWaalsContact OG1-CA 3.3Å; T963-A1029 WeakPolarHBondContact OG1-CA 3.5Å; T963-A1029 PolarHBondContact OG1-N 3.06Å; T963-I1032 HydrophobicContact CG2-CB 3.82Å; T963-I1032 HydrophobicContact CG2-CG1 4.08Å; T963-I1032 HydrophobicContact CG2-CG2 3.72Å; T963-H1063 WeakPolarHBondContact CA-O 3.39Å; T963-S1064 PolarHBondContact OG1-OG 2.84Å; T963-T1107 HydrophobicContact CG2-CG2 4.23Å
964	I	97	Very high	91.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.6	177.5	-57.5	177.9	0	0	0	109.2	V962 F966 M1015 V1017 H1063 L1081 T1085 V1086 A1089	V962-I964 HydrophobicContact CG2-CG1 4.24Å; I964-F966 HydrophobicContact CG2-CD2 3.74Å; I964-F966 HydrophobicContact CG2-CE2 3.59Å; I964-M1015 HydrophobicContact CD1-CE 4.36Å; I964-M1015 HydrophobicContact CG2-CE 3.79Å; I964-M1015 HydrophobicContact CG2-CG 4.36Å; I964-V1017 HydrophobicContact CG1-CB 4.43Å; I964-V1017 HydrophobicContact CG1-CG2 3.9Å; I964-H1063 PolarHBondContact N-O 3.21Å; I964-H1063 PolarHBondContact O-N 2.88Å; I964-L1081 HydrophobicContact CD1-CD2 4Å; I964-L1081 HydrophobicContact CG1-CD2 4.37Å; I964-T1085 HydrophobicContact CD1-CG2 4Å; I964-T1085 HydrophobicContact CG1-CG2 4.43Å; I964-V1086 HydrophobicContact CD1-CB 4.32Å; I964-V1086 HydrophobicContact CD1-CG2 3.74Å; I964-A1089 HydrophobicContact CB-CB 3.83Å; I964-A1089 HydrophobicContact CG2-CB 3.84Å
965	Y	97	Very high	91.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.8	168.6	173.9	-78.7	0	0	0	109.1	S967 Y1014 M1015 V1016 I1032 M1035 A1036 L1039 I1060 L1062	Y965-S967 VanDerWaalsContact CE1-OG 3.32Å; Y965-S967 WeakPolarHBondContact CE1-OG 3.22Å; Y965-S967 WeakPolarHBondContact OH-CB 3.5Å; Y965-S967 PolarHBondContact OH-OG 3.49Å; Y965-Y1014 HydrophobicContact CE1-CD1 4.28Å; Y965-M1015 WeakPolarHBondContact O-CA 2.97Å; Y965-V1016 HydrophobicContact CD1-CB 4.23Å; Y965-V1016 HydrophobicContact CD1-CG2 4.31Å; Y965-V1016 HydrophobicContact CG-CB 4.43Å; Y965-V1016 PolarHBondContact N-O 3.03Å; Y965-V1016 PolarHBondContact O-N 3.18Å; Y965-V1016 VanDerWaalsContact O-N 3.09Å; Y965-I1032 HydrophobicContact CD2-CG2 4.4Å; Y965-M1035 HydrophobicContact CD2-CE 3.7Å; Y965-M1035 HydrophobicContact CD2-SD 4.21Å; Y965-M1035 HydrophobicContact CE2-CE 4.25Å; Y965-M1035 HydrophobicContact CE2-SD 4.15Å; Y965-M1035 HydrophobicContact CG-CE 3.88Å; Y965-A1036 HydrophobicContact CD2-CB 3.96Å; Y965-A1036 HydrophobicContact CE2-CB 3.75Å; Y965-L1039 HydrophobicContact CE1-CD1 4.32Å; Y965-L1039 HydrophobicContact CE2-CD1 4.26Å; Y965-L1039 WeakPolarHBondContact OH-CD1 3.3Å; Y965-I1060 HydrophobicContact CD2-CG2 3.76Å; Y965-I1060 HydrophobicContact CE2-CB 4.39Å; Y965-I1060 HydrophobicContact CE2-CD1 4.04Å; Y965-I1060 HydrophobicContact CE2-CG1 4.1Å; Y965-I1060 HydrophobicContact CE2-CG2 3.4Å; Y965-L1062 HydrophobicContact CD2-CD2 3.66Å; Y965-L1062 HydrophobicContact CG-CD2 4.21Å
966	F	95.2	Very high	91.9	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142	159.8	-84	-88	0	0	0	109.1	I964 I1010 M1015 I1060 G1061 V1086 A1089 E1093	I964-F966 HydrophobicContact CG2-CD2 3.74Å; I964-F966 HydrophobicContact CG2-CE2 3.59Å; F966-I1010 HydrophobicContact CE1-CD1 4.25Å; F966-M1015 HydrophobicContact CD1-CB 4.29Å; F966-M1015 HydrophobicContact CD1-CG 4.33Å; F966-M1015 HydrophobicContact CE1-CB 4.01Å; F966-M1015 HydrophobicContact CE1-CG 3.85Å; F966-M1015 HydrophobicContact CE1-SD 3.91Å; F966-M1015 HydrophobicContact CE2-CE 4.09Å; F966-M1015 HydrophobicContact CE2-CG 4.18Å; F966-M1015 HydrophobicContact CE2-SD 4.22Å; F966-M1015 HydrophobicContact CZ-CB 4.44Å; F966-M1015 HydrophobicContact CZ-CE 3.88Å; F966-M1015 HydrophobicContact CZ-CG 3.77Å; F966-M1015 HydrophobicContact CZ-SD 3.51Å; F966-M1015 VanDerWaalsContact CZ-SD 3.51Å; F966-I1060 CarbonylContact O-C 3.57Å; F966-I1060 WeakPolarHBondContact O-CA 3.45Å; F966-G1061 PolarHBondContact N-O 2.55Å; F966-G1061 PolarHBondContact O-N 3.14Å; F966-V1086 HydrophobicContact CE2-CG1 4.07Å; F966-V1086 HydrophobicContact CZ-CG1 3.91Å; F966-A1089 HydrophobicContact CD2-CB 3.59Å; F966-A1089 HydrophobicContact CE2-CB 3.88Å; F966-E1093 HydrophobicContact CB-CB 3.65Å; F966-E1093 HydrophobicContact CB-CG 3.97Å
967	S	93.2	Very high	92	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.4	165	67.1	0	0	0	0	112.5	Y965 A1013 Y1014 R1059	Y965-S967 VanDerWaalsContact CE1-OG 3.32Å; Y965-S967 WeakPolarHBondContact CE1-OG 3.22Å; Y965-S967 WeakPolarHBondContact OH-CB 3.5Å; Y965-S967 PolarHBondContact OH-OG 3.49Å; S967-A1013 CarbonylContact O-C 3.58Å; S967-A1013 WeakPolarHBondContact O-CA 3.33Å; S967-A1013 WeakPolarHBondContact O-CB 3.28Å; S967-Y1014 PolarHBondContact N-O 2.78Å; S967-Y1014 VanDerWaalsContact N-O 3.12Å; S967-Y1014 PolarHBondContact O-N 3.05Å; S967-R1059 CarbonylContact C-O 3.58Å; S967-R1059 WeakPolarHBondContact CA-O 3.4Å; S967-R1059 VanDerWaalsContact CB-O 3.3Å; S967-R1059 WeakPolarHBondContact CB-O 3.4Å
968	D	92.6	Very high	91.8	Very high	35 Å²	35	32.9 Å²	32.9	19%	0.187	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.1	-174.9	-176.6	58.5	0	0	0	109.6	R1059 E1093	D968-R1059 PolarHBondContact N-O 2.88Å; D968-R1059 PolarHBondContact O-N 2.87Å; D968-R1059 IonicContact OD2-CZ 2.62Å; D968-R1059 IonicContact OD2-NH2 2.81Å; D968-R1059 PolarHBondContact OD2-NH2 3.22Å; D968-E1093 VanDerWaalsContact CB-CD 3.44Å; D968-E1093 HydrophobicContact CB-CG 4.03Å; D968-E1093 WeakPolarHBondContact CB-OE1 3.29Å
969	I	90.9	Very high	91.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.5	-179.1	-55.8	172.7	0	0	0	108.7	G971 F972 I975 L988 L991 D1012 L1056	I969-G971 PolarHBondContact O-N 3.03Å; I969-F972 HydrophobicContact CB-CB 4.02Å; I969-F972 HydrophobicContact CB-CD2 4.27Å; I969-F972 HydrophobicContact CD1-CD2 3.93Å; I969-F972 HydrophobicContact CD1-CE2 4.33Å; I969-F972 HydrophobicContact CG2-CB 4.28Å; I969-F972 HydrophobicContact CG2-CD2 4.34Å; I969-F972 WeakPolarHBondContact O-CB 3.5Å; I969-F972 PolarHBondContact O-N 3.36Å; I969-I975 HydrophobicContact CG2-CD1 4.24Å; I969-L988 HydrophobicContact CD1-CD2 4.34Å; I969-L991 HydrophobicContact CD1-CD2 3.4Å; I969-L991 VanDerWaalsContact CD1-CD2 3.4Å; I969-L991 HydrophobicContact CG1-CD2 4.1Å; I969-D1012 WeakPolarHBondContact CB-OD2 3.44Å; I969-D1012 HydrophobicContact CD1-CB 3.98Å; I969-D1012 HydrophobicContact CG1-CB 4.31Å; I969-D1012 PolarHBondContact N-OD2 3.33Å; I969-L1056 HydrophobicContact CD1-CD1 4.46Å; I969-L1056 HydrophobicContact CG1-CD2 4.35Å; I969-L1056 HydrophobicContact CG2-CD1 4.49Å; I969-L1056 HydrophobicContact CG2-CD2 4.15Å; I969-L1056 HydrophobicContact CG2-CG 4Å
970	V	88.9	Confident	91.4	Very high	29 Å²	29	33.7 Å²	33.7	18%	0.176	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	108.9	-175.7	-177.5	0	0	0	0	110.2	R1057 R1059 A1098	V970-R1057 HydrophobicContact CB-CB 4.09Å; V970-R1057 WeakPolarHBondContact CB-O 3.27Å; V970-R1057 WeakPolarHBondContact CG2-O 3.44Å; V970-R1057 PolarHBondContact N-O 3.37Å; V970-R1059 HydrophobicContact CG2-CB 3.65Å; V970-A1098 HydrophobicContact CB-CB 4.45Å; V970-A1098 HydrophobicContact CG1-CB 4.42Å; V970-A1098 HydrophobicContact CG2-CB 4.09Å
971	G	85.9	Confident	91.4	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	13.3	-177.9	0	0	0	0	0	115.2	I969 T973 T974 I975	I969-G971 PolarHBondContact O-N 3.03Å; G971-T973 PolarHBondContact O-N 3.42Å; G971-T974 WeakPolarHBondContact O-CA 3.28Å; G971-T974 WeakPolarHBondContact O-CB 3.48Å; G971-T974 PolarHBondContact O-N 3.35Å; G971-I975 PolarHBondContact O-N 3.45Å
972	F	88.6	Confident	91.3	Very high	26 Å²	26	36.5 Å²	36.5	11%	0.114	22%	0.219	C	C	.	.	H	α-helix	trans	-53.4	-36.8	179.4	-171.6	-107.3	0	0	0	114.3	I969 T974 I975 S976 V984 L988 D1012	I969-F972 HydrophobicContact CB-CB 4.02Å; I969-F972 HydrophobicContact CB-CD2 4.27Å; I969-F972 HydrophobicContact CD1-CD2 3.93Å; I969-F972 HydrophobicContact CD1-CE2 4.33Å; I969-F972 HydrophobicContact CG2-CB 4.28Å; I969-F972 HydrophobicContact CG2-CD2 4.34Å; I969-F972 WeakPolarHBondContact O-CB 3.5Å; I969-F972 PolarHBondContact O-N 3.36Å; F972-T974 PolarHBondContact O-N 2.88Å; F972-I975 PolarHBondContact O-N 2.82Å; F972-S976 WeakPolarHBondContact O-CB 3.37Å; F972-S976 PolarHBondContact O-N 2.87Å; F972-S976 PolarHBondContact O-OG 2.94Å; F972-V984 HydrophobicContact CE2-CG1 4.4Å; F972-V984 HydrophobicContact CZ-CG1 3.73Å; F972-L988 HydrophobicContact CE2-CD2 3.82Å; F972-L988 HydrophobicContact CE2-CG 4.3Å; F972-L988 HydrophobicContact CZ-CD1 4.05Å; F972-L988 HydrophobicContact CZ-CD2 3.97Å; F972-L988 HydrophobicContact CZ-CG 4.18Å; F972-D1012 HydrophobicContact CB-CB 4.26Å; F972-D1012 WeakPolarHBondContact CB-OD2 3.33Å; F972-D1012 HydrophobicContact CD1-CB 3.56Å; F972-D1012 WeakPolarHBondContact CD1-OD1 3.45Å; F972-D1012 HydrophobicContact CD2-CB 3.8Å; F972-D1012 HydrophobicContact CE1-CB 3.76Å; F972-D1012 HydrophobicContact CE2-CB 3.98Å; F972-D1012 HydrophobicContact CG-CB 3.59Å; F972-D1012 VanDerWaalsContact CG-CG 3.4Å; F972-D1012 WeakPolarHBondContact CG-OD2 3.27Å; F972-D1012 HydrophobicContact CZ-CB 3.96Å
973	T	86.7	Confident	91.1	Very high	116 Å²	116	38.9 Å²	38.9	71%	0.712	23%	0.23	S	C	*	.	H	α-helix	trans	-59.6	-33.4	174.8	-39	0	0	0	0	112.2	G971 S976 A977	G971-T973 PolarHBondContact O-N 3.42Å; T973-S976 WeakPolarHBondContact CA-OG 3.25Å; T973-S976 PolarHBondContact O-OG 3.49Å; T973-A977 WeakPolarHBondContact O-CB 3.4Å; T973-A977 PolarHBondContact O-N 3.41Å; T973-A977 VanDerWaalsContact O-N 3.12Å
974	T	87	Confident	90.8	Very high	37 Å²	37	40 Å²	40	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-77.6	-43.5	175.6	-48.9	0	0	0	0	111.2	G971 F972 A977 L978 L1162	G971-T974 WeakPolarHBondContact O-CA 3.28Å; G971-T974 WeakPolarHBondContact O-CB 3.48Å; G971-T974 PolarHBondContact O-N 3.35Å; F972-T974 PolarHBondContact O-N 2.88Å; T974-A977 PolarHBondContact O-N 2.81Å; T974-L978 HydrophobicContact CG2-CD1 4.23Å; T974-L978 WeakPolarHBondContact O-CG 3.42Å; T974-L978 PolarHBondContact O-N 3.47Å; T974-L978 VanDerWaalsContact O-N 3.08Å; T974-L1162 HydrophobicContact CG2-CB 4.11Å; T974-L1162 HydrophobicContact CG2-CD2 4.05Å
975	I	87.6	Confident	90.5	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-49.9	176.3	-65.4	171.3	0	0	0	110.1	I969 G971 F972 L978 S979 L987 I1048 M1051 L1162	I969-I975 HydrophobicContact CG2-CD1 4.24Å; G971-I975 PolarHBondContact O-N 3.45Å; F972-I975 PolarHBondContact O-N 2.82Å; I975-L978 CarbonylContact O-C 3.17Å; I975-L978 PolarHBondContact O-N 2.9Å; I975-S979 WeakPolarHBondContact O-CB 3.42Å; I975-S979 PolarHBondContact O-N 3.3Å; I975-S979 VanDerWaalsContact O-N 3.15Å; I975-S979 PolarHBondContact O-OG 2.81Å; I975-L987 HydrophobicContact CG2-CD2 3.68Å; I975-I1048 HydrophobicContact CD1-CD1 4.16Å; I975-I1048 HydrophobicContact CG2-CD1 4.42Å; I975-M1051 HydrophobicContact CB-CE 4.4Å; I975-M1051 HydrophobicContact CG2-CE 3.75Å; I975-L1162 HydrophobicContact CG1-CD2 4.34Å
976	S	89	Confident	90.2	Very high	38 Å²	38	47.9 Å²	47.9	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-37.6	178.4	54.5	0	0	0	0	113.1	F972 T973 L978 S979	F972-S976 WeakPolarHBondContact O-CB 3.37Å; F972-S976 PolarHBondContact O-N 2.87Å; F972-S976 PolarHBondContact O-OG 2.94Å; T973-S976 WeakPolarHBondContact CA-OG 3.25Å; T973-S976 PolarHBondContact O-OG 3.49Å; S976-L978 VanDerWaalsContact C-N 3.26Å; S976-L978 PolarHBondContact O-N 2.98Å; S976-S979 PolarHBondContact O-N 3.3Å; S976-S979 VanDerWaalsContact O-N 3.17Å; S976-S979 VanDerWaalsContact O-O 3.11Å
977	A	89.5	Confident	90	Very high	84 Å²	84	47.5 Å²	47.5	69%	0.694	28%	0.281	S	S	*	.	H	α-helix	trans	-66	-25.3	173.9	0	0	0	0	0	113.9	T973 T974	T973-A977 WeakPolarHBondContact O-CB 3.4Å; T973-A977 PolarHBondContact O-N 3.41Å; T973-A977 VanDerWaalsContact O-N 3.12Å; T974-A977 PolarHBondContact O-N 2.81Å
978	L	89.1	Confident	89.9	Confident	21 Å²	21	48.9 Å²	48.9	11%	0.11	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	0.6	174.9	-66.1	175	0	0	0	113.5	T974 I975 S976 M1051 I1171 N1178	T974-L978 HydrophobicContact CG2-CD1 4.23Å; T974-L978 WeakPolarHBondContact O-CG 3.42Å; T974-L978 PolarHBondContact O-N 3.47Å; T974-L978 VanDerWaalsContact O-N 3.08Å; I975-L978 CarbonylContact O-C 3.17Å; I975-L978 PolarHBondContact O-N 2.9Å; S976-L978 VanDerWaalsContact C-N 3.26Å; S976-L978 PolarHBondContact O-N 2.98Å; L978-M1051 HydrophobicContact CB-CE 4.36Å; L978-M1051 HydrophobicContact CB-SD 4.14Å; L978-I1171 HydrophobicContact CD2-CG2 4.21Å; L978-N1178 PolarHBondContact O-ND2 3.25Å
979	S	89.3	Confident	89.8	Confident	17 Å²	17	51.9 Å²	51.9	12%	0.119	30%	0.304	C	S	.	.	S	Bend	trans	-115.2	149.7	-175.9	-58.3	0	0	0	0	111.7	I975 S976 V984 H1050 M1051	I975-S979 WeakPolarHBondContact O-CB 3.42Å; I975-S979 PolarHBondContact O-N 3.3Å; I975-S979 VanDerWaalsContact O-N 3.15Å; I975-S979 PolarHBondContact O-OG 2.81Å; S976-S979 PolarHBondContact O-N 3.3Å; S976-S979 VanDerWaalsContact O-N 3.17Å; S976-S979 VanDerWaalsContact O-O 3.11Å; S979-V984 VanDerWaalsContact CB-CG2 3.47Å; S979-H1050 PolarHBondContact OG-NE2 3.44Å; S979-M1051 WeakPolarHBondContact OG-CE 3.38Å
980	T	92.1	Very high	89.9	Confident	61 Å²	61	53.8 Å²	53.8	37%	0.374	31%	0.314	S	S	.	.			trans	-71.5	154.6	164.1	63.3	0	0	0	0	110.5	F982 Q983 V984	T980-F982 PolarHBondContact O-N 3.44Å; T980-Q983 WeakPolarHBondContact O-CB 3.37Å; T980-Q983 PolarHBondContact O-N 2.92Å; T980-Q983 VanDerWaalsContact OG1-CG 3.3Å; T980-Q983 WeakPolarHBondContact OG1-CG 3.17Å; T980-Q983 PolarHBondContact OG1-N 3.01Å; T980-Q983 PolarHBondContact OG1-OE1 3.49Å; T980-V984 PolarHBondContact O-N 3.05Å
981	P	92	Very high	90	Very high	105 Å²	105	52.4 Å²	52.4	68%	0.682	31%	0.306	S	S	*	.	H	α-helix	trans	-55.3	-35.3	177.8	-28.5	36.3	0	0	0	114	V984 V985	P981-V984 PolarHBondContact O-N 3.02Å; P981-V985 WeakPolarHBondContact O-CG2 3.42Å; P981-V985 PolarHBondContact O-N 2.66Å
982	F	91.6	Very high	90.2	Very high	168 Å²	168	53.2 Å²	53.2	74%	0.737	31%	0.306	S	S	*	.	H	α-helix	trans	-63.1	-47.8	174	-66.8	-73.2	0	0	0	111.8	T980 V984 V985 D986	T980-F982 PolarHBondContact O-N 3.44Å; F982-V984 VanDerWaalsContact C-N 3.3Å; F982-V984 PolarHBondContact O-N 3.36Å; F982-V985 PolarHBondContact O-N 3.19Å; F982-V985 VanDerWaalsContact O-N 3.17Å; F982-D986 WeakPolarHBondContact O-CB 3.41Å; F982-D986 PolarHBondContact O-N 3.22Å
983	Q	93.2	Very high	90.4	Very high	50 Å²	50	55.8 Å²	55.8	23%	0.234	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-32.9	176.5	-74.3	162.9	-30.8	0	0	113.1	T980 L987 H1050	T980-Q983 WeakPolarHBondContact O-CB 3.37Å; T980-Q983 PolarHBondContact O-N 2.92Å; T980-Q983 VanDerWaalsContact OG1-CG 3.3Å; T980-Q983 WeakPolarHBondContact OG1-CG 3.17Å; T980-Q983 PolarHBondContact OG1-N 3.01Å; T980-Q983 PolarHBondContact OG1-OE1 3.49Å; Q983-L987 VanDerWaalsContact O-CB 3.27Å; Q983-L987 WeakPolarHBondContact O-CB 3.49Å; Q983-L987 PolarHBondContact O-N 3.15Å; Q983-H1050 HydrophobicContact CG-CB 4.09Å
984	V	90.7	Very high	90.6	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-43.2	173.5	179.5	0	0	0	0	111.1	F972 S979 T980 P981 F982 L987 L988	F972-V984 HydrophobicContact CE2-CG1 4.4Å; F972-V984 HydrophobicContact CZ-CG1 3.73Å; S979-V984 VanDerWaalsContact CB-CG2 3.47Å; T980-V984 PolarHBondContact O-N 3.05Å; P981-V984 PolarHBondContact O-N 3.02Å; F982-V984 VanDerWaalsContact C-N 3.3Å; F982-V984 PolarHBondContact O-N 3.36Å; V984-L987 PolarHBondContact O-N 3.32Å; V984-L988 HydrophobicContact CG1-CD1 4.16Å; V984-L988 HydrophobicContact CG1-CG 4.47Å; V984-L988 WeakPolarHBondContact O-CG 3.36Å; V984-L988 PolarHBondContact O-N 2.87Å
985	V	90.7	Very high	90.9	Very high	100 Å²	100	49.9 Å²	49.9	61%	0.606	29%	0.286	S	S	*	.	H	α-helix	trans	-65	-43.1	176.5	172	0	0	0	0	111.3	P981 F982 L988 N989	P981-V985 WeakPolarHBondContact O-CG2 3.42Å; P981-V985 PolarHBondContact O-N 2.66Å; F982-V985 PolarHBondContact O-N 3.19Å; F982-V985 VanDerWaalsContact O-N 3.17Å; V985-L988 PolarHBondContact O-N 3.08Å; V985-N989 VanDerWaalsContact O-CB 3.22Å; V985-N989 WeakPolarHBondContact O-CB 3.05Å; V985-N989 PolarHBondContact O-N 2.72Å
986	D	91.3	Very high	91.1	Very high	66 Å²	66	52.3 Å²	52.3	35%	0.353	30%	0.299	S	S	.	.	H	α-helix	trans	-57	-49.9	173.5	-93.6	-47	0	0	0	111.7	F982 N989 D990 R1049	F982-D986 WeakPolarHBondContact O-CB 3.41Å; F982-D986 PolarHBondContact O-N 3.22Å; D986-N989 PolarHBondContact O-N 2.62Å; D986-D990 PolarHBondContact O-N 3.15Å; D986-R1049 IonicContact OD1-CZ 3.38Å; D986-R1049 IonicContact OD1-NH1 3.7Å; D986-R1049 PolarHBondContact OD1-NH1 3.45Å; D986-R1049 VanDerWaalsContact OD1-NH1 3.08Å; D986-R1049 IonicContact OD1-NH2 3.21Å; D986-R1049 PolarHBondContact OD1-NH2 2.98Å; D986-R1049 IonicContact OD2-NH1 3.93Å
987	L	90.9	Very high	91.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-49.8	177.7	169	58.6	0	0	0	112.5	I975 Q983 V984 N989 D990 L991 F1046 I1048 L1056	I975-L987 HydrophobicContact CG2-CD2 3.68Å; Q983-L987 VanDerWaalsContact O-CB 3.27Å; Q983-L987 WeakPolarHBondContact O-CB 3.49Å; Q983-L987 PolarHBondContact O-N 3.15Å; V984-L987 PolarHBondContact O-N 3.32Å; L987-N989 VanDerWaalsContact C-N 3.33Å; L987-D990 PolarHBondContact O-N 2.97Å; L987-L991 WeakPolarHBondContact O-CB 3.46Å; L987-L991 PolarHBondContact O-N 3.19Å; L987-F1046 HydrophobicContact CD1-CE1 3.63Å; L987-F1046 HydrophobicContact CD1-CZ 4.04Å; L987-I1048 HydrophobicContact CD1-CB 4.41Å; L987-I1048 HydrophobicContact CD1-CD1 4.46Å; L987-I1048 HydrophobicContact CD1-CG1 3.9Å; L987-I1048 HydrophobicContact CD1-CG2 4.12Å; L987-I1048 HydrophobicContact CD2-CD1 4.41Å; L987-I1048 HydrophobicContact CD2-CG2 4.25Å; L987-L1056 HydrophobicContact CD1-CD1 3.9Å
988	L	91.4	Very high	91.5	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-38.6	179.3	-70.7	178	0	0	0	111.3	I969 F972 V984 V985 L991 Y992 D1012	I969-L988 HydrophobicContact CD1-CD2 4.34Å; F972-L988 HydrophobicContact CE2-CD2 3.82Å; F972-L988 HydrophobicContact CE2-CG 4.3Å; F972-L988 HydrophobicContact CZ-CD1 4.05Å; F972-L988 HydrophobicContact CZ-CD2 3.97Å; F972-L988 HydrophobicContact CZ-CG 4.18Å; V984-L988 HydrophobicContact CG1-CD1 4.16Å; V984-L988 HydrophobicContact CG1-CG 4.47Å; V984-L988 WeakPolarHBondContact O-CG 3.36Å; V984-L988 PolarHBondContact O-N 2.87Å; V985-L988 PolarHBondContact O-N 3.08Å; L988-L991 PolarHBondContact O-N 2.79Å; L988-Y992 HydrophobicContact CB-CD2 4.25Å; L988-Y992 HydrophobicContact CB-CE2 3.97Å; L988-Y992 HydrophobicContact CD2-CE2 4.15Å; L988-Y992 HydrophobicContact CG-CE2 4.49Å; L988-Y992 VanDerWaalsContact O-CB 3.29Å; L988-Y992 WeakPolarHBondContact O-CB 3.03Å; L988-Y992 WeakPolarHBondContact O-CD2 3.36Å; L988-Y992 PolarHBondContact O-N 2.91Å; L988-D1012 HydrophobicContact CD2-CB 4.27Å
989	N	90.6	Very high	91.7	Very high	97 Å²	97	48.8 Å²	48.8	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-43.7	177.3	-174	87.3	0	0	0	111.8	V985 D986 L987 T993	V985-N989 VanDerWaalsContact O-CB 3.22Å; V985-N989 WeakPolarHBondContact O-CB 3.05Å; V985-N989 PolarHBondContact O-N 2.72Å; D986-N989 PolarHBondContact O-N 2.62Å; L987-N989 VanDerWaalsContact C-N 3.33Å; N989-T993 VanDerWaalsContact O-CB 3.25Å; N989-T993 WeakPolarHBondContact O-CB 3.47Å; N989-T993 PolarHBondContact O-N 2.68Å; N989-T993 PolarHBondContact O-OG1 2.8Å
990	D	91.4	Very high	91.8	Very high	43 Å²	43	54.6 Å²	54.6	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-47.1	176.3	-66.3	-11	0	0	0	111.6	D986 L987 T993 M994 F1046 R1049	D986-D990 PolarHBondContact O-N 3.15Å; L987-D990 PolarHBondContact O-N 2.97Å; D990-T993 PolarHBondContact O-N 3.45Å; D990-M994 PolarHBondContact O-N 2.9Å; D990-F1046 HydrophobicContact CB-CE2 4.04Å; D990-F1046 HydrophobicContact CB-CZ 3.84Å; D990-R1049 IonicContact OD1-CZ 3.96Å; D990-R1049 IonicContact OD1-NE 3.06Å; D990-R1049 IonicContact OD1-NH2 2.78Å; D990-R1049 PolarHBondContact OD1-NH2 3.15Å; D990-R1049 IonicContact OD2-CZ 3.19Å; D990-R1049 VanDerWaalsContact OD2-CZ 3.23Å; D990-R1049 IonicContact OD2-NE 3.57Å; D990-R1049 PolarHBondContact OD2-NE 3.32Å; D990-R1049 IonicContact OD2-NH2 3.91Å; D990-R1049 PolarHBondContact OD2-NH2 3.15Å
991	L	91.3	Very high	91.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-48	-179.7	-175.3	71.1	0	0	0	111.1	I969 L987 L988 T993 M994 F995 F1046 L1056	I969-L991 HydrophobicContact CD1-CD2 3.4Å; I969-L991 VanDerWaalsContact CD1-CD2 3.4Å; I969-L991 HydrophobicContact CG1-CD2 4.1Å; L987-L991 WeakPolarHBondContact O-CB 3.46Å; L987-L991 PolarHBondContact O-N 3.19Å; L988-L991 PolarHBondContact O-N 2.79Å; L991-T993 VanDerWaalsContact C-N 3.35Å; L991-M994 HydrophobicContact CD1-CE 4.05Å; L991-M994 PolarHBondContact O-N 2.82Å; L991-F995 HydrophobicContact CD1-CD1 4.31Å; L991-F995 HydrophobicContact CD1-CE1 3.63Å; L991-F995 HydrophobicContact CD1-CZ 3.75Å; L991-F995 HydrophobicContact CD2-CE2 4.28Å; L991-F995 HydrophobicContact CD2-CZ 4.15Å; L991-F995 HydrophobicContact CG-CD1 4.44Å; L991-F995 HydrophobicContact CG-CE1 4.02Å; L991-F995 HydrophobicContact CG-CE2 4.14Å; L991-F995 HydrophobicContact CG-CZ 3.86Å; L991-F995 WeakPolarHBondContact O-CD1 3.44Å; L991-F995 WeakPolarHBondContact O-CG 3.43Å; L991-F995 PolarHBondContact O-N 3.06Å; L991-F1046 HydrophobicContact CB-CE2 4.25Å; L991-F1046 HydrophobicContact CB-CZ 4.06Å; L991-F1046 HydrophobicContact CD1-CD2 4.23Å; L991-F1046 HydrophobicContact CD1-CE2 4.19Å; L991-F1046 HydrophobicContact CD1-CG 4.4Å; L991-F1046 HydrophobicContact CD1-CZ 4.33Å; L991-L1056 HydrophobicContact CD1-CD1 4.18Å; L991-L1056 HydrophobicContact CD1-CD2 4.09Å; L991-L1056 HydrophobicContact CD2-CD1 4.29Å; L991-L1056 HydrophobicContact CD2-CD2 4.43Å
992	Y	91.3	Very high	91.9	Very high	28 Å²	28	56.8 Å²	56.8	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-70.5	-29.4	178.6	-62.1	-31.4	0	0	0	112.7	L988 F995 D996 T1009 G1011 D1012 Y1014	L988-Y992 HydrophobicContact CB-CD2 4.25Å; L988-Y992 HydrophobicContact CB-CE2 3.97Å; L988-Y992 HydrophobicContact CD2-CE2 4.15Å; L988-Y992 HydrophobicContact CG-CE2 4.49Å; L988-Y992 VanDerWaalsContact O-CB 3.29Å; L988-Y992 WeakPolarHBondContact O-CB 3.03Å; L988-Y992 WeakPolarHBondContact O-CD2 3.36Å; L988-Y992 PolarHBondContact O-N 2.91Å; Y992-F995 HydrophobicContact CD1-CD2 4.16Å; Y992-F995 PolarHBondContact O-N 3.47Å; Y992-D996 WeakPolarHBondContact O-CB 3.45Å; Y992-D996 PolarHBondContact O-N 2.94Å; Y992-T1009 HydrophobicContact CD1-CG2 4.34Å; Y992-T1009 HydrophobicContact CD2-CG2 4.22Å; Y992-T1009 HydrophobicContact CE1-CG2 3.94Å; Y992-T1009 HydrophobicContact CE2-CG2 3.79Å; Y992-T1009 HydrophobicContact CG-CG2 4.49Å; Y992-G1011 PolarHBondContact OH-O 3.18Å; Y992-D1012 VanDerWaalsContact OH-C 3.22Å; Y992-D1012 WeakPolarHBondContact OH-CA 3.39Å; Y992-D1012 PolarHBondContact OH-O 2.82Å; Y992-Y1014 AromaticContact CD1-CD2 3.52Å; Y992-Y1014 HydrophobicContact CD1-CD2 3.52Å; Y992-Y1014 AromaticContact CD1-CE2 3.91Å; Y992-Y1014 HydrophobicContact CD1-CE2 3.91Å; Y992-Y1014 HydrophobicContact CD1-CG 4.5Å; Y992-Y1014 AromaticContact CE1-CD2 3.68Å; Y992-Y1014 HydrophobicContact CE1-CD2 3.68Å; Y992-Y1014 HydrophobicContact CE1-CE2 4.49Å; Y992-Y1014 HydrophobicContact CE1-CG 4.42Å; Y992-Y1014 HydrophobicContact CG-CD2 4.42Å; Y992-Y1014 HydrophobicContact CG-CE2 4.49Å
993	T	91.5	Very high	92	Very high	80 Å²	80	52.5 Å²	52.5	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-42	171.2	-59.5	0	0	0	0	110.8	N989 D990 L991 S997	N989-T993 VanDerWaalsContact O-CB 3.25Å; N989-T993 WeakPolarHBondContact O-CB 3.47Å; N989-T993 PolarHBondContact O-N 2.68Å; N989-T993 PolarHBondContact O-OG1 2.8Å; D990-T993 PolarHBondContact O-N 3.45Å; L991-T993 VanDerWaalsContact C-N 3.35Å; T993-S997 WeakPolarHBondContact O-CB 3.4Å; T993-S997 PolarHBondContact O-N 2.98Å; T993-S997 PolarHBondContact O-OG 3.4Å
994	M	91.6	Very high	92	Very high	26 Å²	26	51.3 Å²	51.3	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-45.2	175	-179.1	-91.7	-77.3	0	0	111.6	D990 L991 S997 T998 Q1042 F1046	D990-M994 PolarHBondContact O-N 2.9Å; L991-M994 HydrophobicContact CD1-CE 4.05Å; L991-M994 PolarHBondContact O-N 2.82Å; M994-S997 PolarHBondContact O-N 3.09Å; M994-S997 PolarHBondContact O-OG 2.97Å; M994-T998 PolarHBondContact O-N 3.17Å; M994-T998 VanDerWaalsContact O-N 3.15Å; M994-T998 PolarHBondContact O-OG1 2.91Å; M994-Q1042 HydrophobicContact CE-CB 3.96Å; M994-Q1042 HydrophobicContact CG-CB 4.37Å; M994-Q1042 HydrophobicContact SD-CB 3.5Å; M994-Q1042 WeakPolarHBondContact SD-CB 3.44Å; M994-Q1042 HydrophobicContact SD-CG 4.38Å; M994-Q1042 PolarHBondContact SD-OE1 2.73Å; M994-F1046 HydrophobicContact CE-CB 4.47Å; M994-F1046 HydrophobicContact CE-CD2 3.94Å
995	F	93.2	Very high	92.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-48.5	175.9	-70.9	3.8	0	0	0	111.8	L991 Y992 S997 T998 I999 Y1014 L1039 L1058	L991-F995 HydrophobicContact CD1-CD1 4.31Å; L991-F995 HydrophobicContact CD1-CE1 3.63Å; L991-F995 HydrophobicContact CD1-CZ 3.75Å; L991-F995 HydrophobicContact CD2-CE2 4.28Å; L991-F995 HydrophobicContact CD2-CZ 4.15Å; L991-F995 HydrophobicContact CG-CD1 4.44Å; L991-F995 HydrophobicContact CG-CE1 4.02Å; L991-F995 HydrophobicContact CG-CE2 4.14Å; L991-F995 HydrophobicContact CG-CZ 3.86Å; L991-F995 WeakPolarHBondContact O-CD1 3.44Å; L991-F995 WeakPolarHBondContact O-CG 3.43Å; L991-F995 PolarHBondContact O-N 3.06Å; Y992-F995 HydrophobicContact CD1-CD2 4.16Å; Y992-F995 PolarHBondContact O-N 3.47Å; F995-S997 VanDerWaalsContact C-N 3.35Å; F995-S997 PolarHBondContact O-N 2.99Å; F995-T998 WeakPolarHBondContact O-CA 3.48Å; F995-T998 WeakPolarHBondContact O-CB 3.42Å; F995-T998 PolarHBondContact O-N 3.3Å; F995-I999 PolarHBondContact O-N 2.69Å; F995-Y1014 HydrophobicContact CB-CE1 3.93Å; F995-Y1014 HydrophobicContact CB-CE2 4.05Å; F995-Y1014 AromaticContact CD2-CD1 3.64Å; F995-Y1014 HydrophobicContact CD2-CD1 3.64Å; F995-Y1014 AromaticContact CD2-CD2 3.77Å; F995-Y1014 HydrophobicContact CD2-CD2 3.77Å; F995-Y1014 AromaticContact CD2-CE1 3.92Å; F995-Y1014 HydrophobicContact CD2-CE1 3.92Å; F995-Y1014 HydrophobicContact CD2-CE2 4.04Å; F995-Y1014 AromaticContact CD2-CG 3.57Å; F995-Y1014 HydrophobicContact CD2-CG 3.57Å; F995-Y1014 HydrophobicContact CE2-CD1 4.28Å; F995-Y1014 HydrophobicContact CE2-CG 4.08Å; F995-Y1014 HydrophobicContact CG-CD1 4.48Å; F995-Y1014 HydrophobicContact CG-CE1 4.36Å; F995-L1039 HydrophobicContact CB-CD2 4.16Å; F995-L1039 HydrophobicContact CD1-CD1 4.48Å; F995-L1039 HydrophobicContact CD1-CD2 3.62Å; F995-L1039 HydrophobicContact CE1-CD2 4.22Å; F995-L1039 HydrophobicContact CG-CD1 4.42Å; F995-L1039 HydrophobicContact CG-CD2 4.02Å; F995-L1058 HydrophobicContact CE1-CD2 4.41Å; F995-L1058 HydrophobicContact CZ-CD1 4.01Å; F995-L1058 HydrophobicContact CZ-CD2 3.81Å
996	D	91.7	Very high	92.2	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-57.8	-46.7	178.7	-71.4	-2.4	0	0	0	110.8	Y992 T998 I999 D1000 K1006 Y1014	Y992-D996 WeakPolarHBondContact O-CB 3.45Å; Y992-D996 PolarHBondContact O-N 2.94Å; D996-T998 PolarHBondContact O-N 2.91Å; D996-T998 VanDerWaalsContact O-N 3.15Å; D996-I999 VanDerWaalsContact O-CG1 3.25Å; D996-I999 WeakPolarHBondContact O-CG1 3.48Å; D996-I999 PolarHBondContact O-N 2.91Å; D996-D1000 PolarHBondContact O-N 3.28Å; D996-K1006 WeakPolarHBondContact OD1-CD 3.23Å; D996-K1006 WeakPolarHBondContact OD1-CE 3.33Å; D996-K1006 IonicContact OD1-NZ 2.72Å; D996-K1006 PolarHBondContact OD1-NZ 3.03Å; D996-K1006 IonicContact OD2-NZ 3.3Å; D996-K1006 PolarHBondContact OD2-NZ 3.12Å; D996-Y1014 PolarHBondContact OD1-OH 3.06Å
997	S	93.2	Very high	92	Very high	56 Å²	56	48 Å²	48	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-19.3	175.8	74.7	0	0	0	0	114.6	T993 M994 F995 F1001	T993-S997 WeakPolarHBondContact O-CB 3.4Å; T993-S997 PolarHBondContact O-N 2.98Å; T993-S997 PolarHBondContact O-OG 3.4Å; M994-S997 PolarHBondContact O-N 3.09Å; M994-S997 PolarHBondContact O-OG 2.97Å; F995-S997 VanDerWaalsContact C-N 3.35Å; F995-S997 PolarHBondContact O-N 2.99Å; S997-F1001 WeakPolarHBondContact O-CD2 3.41Å; S997-F1001 WeakPolarHBondContact O-CE2 3.31Å
998	T	93	Very high	91.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-90.4	-41.5	178.6	-56.1	0	0	0	0	111.7	M994 F995 D996 D1000 F1001 Y1002 D1038 L1039 Q1042	M994-T998 PolarHBondContact O-N 3.17Å; M994-T998 VanDerWaalsContact O-N 3.15Å; M994-T998 PolarHBondContact O-OG1 2.91Å; F995-T998 WeakPolarHBondContact O-CA 3.48Å; F995-T998 WeakPolarHBondContact O-CB 3.42Å; F995-T998 PolarHBondContact O-N 3.3Å; D996-T998 PolarHBondContact O-N 2.91Å; D996-T998 VanDerWaalsContact O-N 3.15Å; T998-D1000 PolarHBondContact O-N 2.95Å; T998-F1001 PolarHBondContact O-N 2.99Å; T998-Y1002 HydrophobicContact CG2-CE2 4.22Å; T998-Y1002 VanDerWaalsContact O-CD2 3.31Å; T998-Y1002 WeakPolarHBondContact O-CD2 3.21Å; T998-D1038 HydrophobicContact CG2-CB 4Å; T998-L1039 HydrophobicContact CG2-CD2 3.72Å; T998-L1039 HydrophobicContact CG2-CG 4.37Å; T998-Q1042 PolarHBondContact OG1-NE2 3.1Å; T998-Q1042 PolarHBondContact OG1-OE1 2.95Å
999	I	93.2	Very high	91.2	Very high	13 Å²	13	52 Å²	52	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-25.9	-179.4	60.1	161.3	0	0	0	112.7	F995 D996 F1001 Y1002 V1004 K1006 Y1014 V1016 M1035	F995-I999 PolarHBondContact O-N 2.69Å; D996-I999 VanDerWaalsContact O-CG1 3.25Å; D996-I999 WeakPolarHBondContact O-CG1 3.48Å; D996-I999 PolarHBondContact O-N 2.91Å; I999-F1001 PolarHBondContact O-N 3.39Å; I999-Y1002 PolarHBondContact O-N 3.34Å; I999-V1004 HydrophobicContact CB-CG2 3.63Å; I999-V1004 HydrophobicContact CG2-CG2 4.04Å; I999-K1006 HydrophobicContact CD1-CB 3.77Å; I999-K1006 HydrophobicContact CD1-CD 4.45Å; I999-Y1014 WeakPolarHBondContact CD1-OH 3.36Å; I999-Y1014 HydrophobicContact CG2-CE1 4.46Å; I999-V1016 HydrophobicContact CG2-CG2 4.39Å; I999-M1035 HydrophobicContact CG2-CG 4.04Å; I999-M1035 HydrophobicContact CG2-SD 4.16Å
1000	D	91.5	Very high	90.4	Very high	138 Å²	138	50.6 Å²	50.6	74%	0.738	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.6	173.5	-81.2	-10.4	0	0	0	113.9	D996 T998	D996-D1000 PolarHBondContact O-N 3.28Å; T998-D1000 PolarHBondContact O-N 2.95Å
1001	F	93.2	Very high	89.6	Confident	167 Å²	167	50.7 Å²	50.7	73%	0.732	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.1	176.3	-60.7	-64.9	0	0	0	114.9	S997 T998 I999	S997-F1001 WeakPolarHBondContact O-CD2 3.41Å; S997-F1001 WeakPolarHBondContact O-CE2 3.31Å; T998-F1001 PolarHBondContact O-N 2.99Å; I999-F1001 PolarHBondContact O-N 3.39Å
1002	Y	94.3	Very high	89.2	Confident	46 Å²	46	52 Å²	52	18%	0.18	28%	0.278	C	S	.	.	S	Bend	trans	-128.4	155.4	-173	-62.2	-78.4	0	0	0	111.8	T998 I999 V1004 T1034 M1035 D1038	T998-Y1002 HydrophobicContact CG2-CE2 4.22Å; T998-Y1002 VanDerWaalsContact O-CD2 3.31Å; T998-Y1002 WeakPolarHBondContact O-CD2 3.21Å; I999-Y1002 PolarHBondContact O-N 3.34Å; Y1002-V1004 PolarHBondContact O-N 2.84Å; Y1002-T1034 HydrophobicContact CE1-CG2 3.74Å; Y1002-M1035 HydrophobicContact CD1-CB 4.25Å; Y1002-M1035 HydrophobicContact CD2-CB 3.7Å; Y1002-M1035 HydrophobicContact CD2-CG 3.84Å; Y1002-M1035 HydrophobicContact CE1-CB 4.49Å; Y1002-M1035 HydrophobicContact CE2-CB 3.96Å; Y1002-M1035 HydrophobicContact CE2-CG 4.25Å; Y1002-M1035 HydrophobicContact CG-CB 3.85Å; Y1002-M1035 HydrophobicContact CG-CG 4.34Å; Y1002-D1038 HydrophobicContact CE2-CB 4.38Å; Y1002-D1038 PolarHBondContact OH-OD2 3.27Å; Y1002-D1038 VanDerWaalsContact OH-OD2 3.1Å
1003	D	93.2	Very high	89	Confident	77 Å²	77	51.3 Å²	51.3	41%	0.412	28%	0.278	S	S	.	.	S	Bend	trans	-79	73.3	174.9	179.8	31.7	0	0	0	110.4	S1018 N1024 E1031	D1003-S1018 VanDerWaalsContact O-CB 3.29Å; D1003-S1018 WeakPolarHBondContact O-CB 3.41Å; D1003-S1018 PolarHBondContact O-OG 3.45Å; D1003-N1024 WeakPolarHBondContact OD2-CB 3.44Å; D1003-N1024 PolarHBondContact OD2-ND2 3.48Å; D1003-E1031 HydrophobicContact CB-CG 4.12Å; D1003-E1031 PolarHBondContact N-OE2 2.89Å
1004	V	93.5	Very high	89.1	Confident	26 Å²	26	47.5 Å²	47.5	16%	0.158	26%	0.255	C	S	.	.			trans	-139.6	152.8	-174.1	-53.6	0	0	0	0	111.7	I999 Y1002 V1016 V1017 E1031 I1032	I999-V1004 HydrophobicContact CB-CG2 3.63Å; I999-V1004 HydrophobicContact CG2-CG2 4.04Å; Y1002-V1004 PolarHBondContact O-N 2.84Å; V1004-V1016 HydrophobicContact CB-CG1 3.6Å; V1004-V1016 HydrophobicContact CG1-CG1 4.35Å; V1004-V1016 HydrophobicContact CG2-CG1 3.77Å; V1004-V1017 CarbonylContact C-O 3.07Å; V1004-V1017 WeakPolarHBondContact CA-O 3.34Å; V1004-E1031 HydrophobicContact CG1-CB 4.2Å; V1004-I1032 HydrophobicContact CB-CD1 4.35Å; V1004-I1032 HydrophobicContact CG1-CD1 3.77Å; V1004-I1032 HydrophobicContact CG1-CG1 4.45Å
1005	Y	92	Very high	89.2	Confident	42 Å²	42	46.4 Å²	46.4	17%	0.165	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.4	176.6	178.3	-103.3	0	0	0	111.4	P941 V1007 V1016 V1017 Y1079	P941-Y1005 HydrophobicContact CB-CD2 4.31Å; P941-Y1005 HydrophobicContact CB-CE2 4.08Å; P941-Y1005 WeakPolarHBondContact CD-OH 3.44Å; P941-Y1005 HydrophobicContact CG-CD2 4.03Å; P941-Y1005 HydrophobicContact CG-CE1 4.12Å; P941-Y1005 HydrophobicContact CG-CE2 3.54Å; Y1005-V1007 HydrophobicContact CD1-CG2 4.16Å; Y1005-V1007 HydrophobicContact CE1-CG2 4.45Å; Y1005-V1007 PolarHBondContact O-N 3.34Å; Y1005-V1016 WeakPolarHBondContact O-CA 3.46Å; Y1005-V1017 HydrophobicContact CD1-CG1 4.31Å; Y1005-V1017 PolarHBondContact N-O 3.37Å; Y1005-V1017 PolarHBondContact O-N 2.9Å; Y1005-Y1079 HydrophobicContact CD1-CD1 4.42Å; Y1005-Y1079 AromaticContact CE1-CD1 3.94Å; Y1005-Y1079 HydrophobicContact CE1-CD1 3.94Å
1006	K	92	Very high	89.3	Confident	61 Å²	61	46.3 Å²	46.3	27%	0.265	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.4	171.7	179.4	-180	-178.6	169.3	0	109.7	D996 I999 Y1014	D996-K1006 WeakPolarHBondContact OD1-CD 3.23Å; D996-K1006 WeakPolarHBondContact OD1-CE 3.33Å; D996-K1006 IonicContact OD1-NZ 2.72Å; D996-K1006 PolarHBondContact OD1-NZ 3.03Å; D996-K1006 IonicContact OD2-NZ 3.3Å; D996-K1006 PolarHBondContact OD2-NZ 3.12Å; I999-K1006 HydrophobicContact CD1-CB 3.77Å; I999-K1006 HydrophobicContact CD1-CD 4.45Å; K1006-Y1014 HydrophobicContact CD-CE2 4.12Å; K1006-Y1014 HydrophobicContact CG-CE2 4.38Å
1007	V	88.7	Confident	89.5	Confident	18 Å²	18	43.8 Å²	43.8	11%	0.109	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-65.7	-176.3	-179	0	0	0	0	110.6	Y1005 M1015 V1017 L1081	Y1005-V1007 HydrophobicContact CD1-CG2 4.16Å; Y1005-V1007 HydrophobicContact CE1-CG2 4.45Å; Y1005-V1007 PolarHBondContact O-N 3.34Å; V1007-M1015 HydrophobicContact CB-CB 4.4Å; V1007-M1015 HydrophobicContact CB-CE 4.37Å; V1007-M1015 HydrophobicContact CB-CG 4.05Å; V1007-M1015 HydrophobicContact CB-SD 3.93Å; V1007-M1015 HydrophobicContact CG1-CE 4.23Å; V1007-M1015 HydrophobicContact CG1-SD 3.86Å; V1007-M1015 HydrophobicContact CG2-CE 4.2Å; V1007-M1015 HydrophobicContact CG2-CG 4.3Å; V1007-M1015 HydrophobicContact CG2-SD 4.36Å; V1007-M1015 PolarHBondContact N-O 3.18Å; V1007-V1017 HydrophobicContact CG2-CB 4.18Å; V1007-V1017 HydrophobicContact CG2-CG1 3.56Å; V1007-L1081 HydrophobicContact CB-CD1 4.4Å; V1007-L1081 HydrophobicContact CG1-CD1 3.73Å; V1007-L1081 HydrophobicContact CG2-CD1 3.7Å; V1007-L1081 HydrophobicContact CG2-CD2 4.33Å
1008	E	85	Confident	89.6	Confident	59 Å²	59	41.1 Å²	41.1	28%	0.276	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	172.7	176.9	62.1	-173.9	168.2	0	0	110.7	I1010 M1015 R1078	E1008-I1010 HydrophobicContact CG-CD1 4.21Å; E1008-I1010 HydrophobicContact CG-CG1 3.9Å; E1008-M1015 PolarHBondContact O-N 3.34Å; E1008-R1078 IonicContact OE2-NH1 2.75Å; E1008-R1078 PolarHBondContact OE2-NH1 2.71Å
1009	T	79.6	Confident	89.7	Confident	57 Å²	57	41.2 Å²	41.2	35%	0.35	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.6	166.1	46.5	0	0	0	0	108.7	Y992 A1013 Y1014	Y992-T1009 HydrophobicContact CD1-CG2 4.34Å; Y992-T1009 HydrophobicContact CD2-CG2 4.22Å; Y992-T1009 HydrophobicContact CE1-CG2 3.94Å; Y992-T1009 HydrophobicContact CE2-CG2 3.79Å; Y992-T1009 HydrophobicContact CG-CG2 4.49Å; T1009-A1013 CarbonylContact C-O 3.52Å; T1009-A1013 WeakPolarHBondContact CA-O 3.38Å; T1009-Y1014 HydrophobicContact CG2-CD2 3.77Å; T1009-Y1014 HydrophobicContact CG2-CE2 4.35Å
1010	I	73.5	Confident	89.6	Confident	67 Å²	67	41 Å²	41	34%	0.344	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	88.6	-174.8	-51.9	-176.5	0	0	0	108.3	F966 E1008 D1012 A1013 F1218	F966-I1010 HydrophobicContact CE1-CD1 4.25Å; E1008-I1010 HydrophobicContact CG-CD1 4.21Å; E1008-I1010 HydrophobicContact CG-CG1 3.9Å; I1010-D1012 PolarHBondContact O-N 2.84Å; I1010-A1013 HydrophobicContact CB-CB 4.46Å; I1010-A1013 PolarHBondContact N-O 2.6Å; I1010-A1013 VanDerWaalsContact O-CB 3.32Å; I1010-A1013 WeakPolarHBondContact O-CB 3.41Å; I1010-A1013 PolarHBondContact O-N 3.41Å; I1010-A1013 VanDerWaalsContact O-N 3.13Å; I1010-F1218 HydrophobicContact CG2-CE1 4.21Å
1011	G	75	Confident	89.5	Confident	46 Å²	46	35.5 Å²	35.5	47%	0.474	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-124.3	-167.1	0	0	0	0	0	109.6	Y992	Y992-G1011 PolarHBondContact OH-O 3.18Å
1012	D	83.6	Confident	89.4	Confident	28 Å²	28	32.6 Å²	32.6	15%	0.15	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.6	168.6	53.1	-56	0	0	0	113.7	I969 F972 L988 Y992 I1010	I969-D1012 WeakPolarHBondContact CB-OD2 3.44Å; I969-D1012 HydrophobicContact CD1-CB 3.98Å; I969-D1012 HydrophobicContact CG1-CB 4.31Å; I969-D1012 PolarHBondContact N-OD2 3.33Å; F972-D1012 HydrophobicContact CB-CB 4.26Å; F972-D1012 WeakPolarHBondContact CB-OD2 3.33Å; F972-D1012 HydrophobicContact CD1-CB 3.56Å; F972-D1012 WeakPolarHBondContact CD1-OD1 3.45Å; F972-D1012 HydrophobicContact CD2-CB 3.8Å; F972-D1012 HydrophobicContact CE1-CB 3.76Å; F972-D1012 HydrophobicContact CE2-CB 3.98Å; F972-D1012 HydrophobicContact CG-CB 3.59Å; F972-D1012 VanDerWaalsContact CG-CG 3.4Å; F972-D1012 WeakPolarHBondContact CG-OD2 3.27Å; F972-D1012 HydrophobicContact CZ-CB 3.96Å; L988-D1012 HydrophobicContact CD2-CB 4.27Å; Y992-D1012 VanDerWaalsContact OH-C 3.22Å; Y992-D1012 WeakPolarHBondContact OH-CA 3.39Å; Y992-D1012 PolarHBondContact OH-O 2.82Å; I1010-D1012 PolarHBondContact O-N 2.84Å
1013	A	87.3	Confident	89.3	Confident	13 Å²	13	36.2 Å²	36.2	11%	0.107	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.5	-177.1	0	0	0	0	0	113.4	S967 T1009 I1010	S967-A1013 CarbonylContact O-C 3.58Å; S967-A1013 WeakPolarHBondContact O-CA 3.33Å; S967-A1013 WeakPolarHBondContact O-CB 3.28Å; T1009-A1013 CarbonylContact C-O 3.52Å; T1009-A1013 WeakPolarHBondContact CA-O 3.38Å; I1010-A1013 HydrophobicContact CB-CB 4.46Å; I1010-A1013 PolarHBondContact N-O 2.6Å; I1010-A1013 VanDerWaalsContact O-CB 3.32Å; I1010-A1013 WeakPolarHBondContact O-CB 3.41Å; I1010-A1013 PolarHBondContact O-N 3.41Å; I1010-A1013 VanDerWaalsContact O-N 3.13Å
1014	Y	92.4	Very high	89.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.6	-178.5	-166.7	-101.9	0	0	0	110.7	Y965 S967 Y992 F995 D996 I999 K1006 T1009 V1016	Y965-Y1014 HydrophobicContact CE1-CD1 4.28Å; S967-Y1014 PolarHBondContact N-O 2.78Å; S967-Y1014 VanDerWaalsContact N-O 3.12Å; S967-Y1014 PolarHBondContact O-N 3.05Å; Y992-Y1014 AromaticContact CD1-CD2 3.52Å; Y992-Y1014 HydrophobicContact CD1-CD2 3.52Å; Y992-Y1014 AromaticContact CD1-CE2 3.91Å; Y992-Y1014 HydrophobicContact CD1-CE2 3.91Å; Y992-Y1014 HydrophobicContact CD1-CG 4.5Å; Y992-Y1014 AromaticContact CE1-CD2 3.68Å; Y992-Y1014 HydrophobicContact CE1-CD2 3.68Å; Y992-Y1014 HydrophobicContact CE1-CE2 4.49Å; Y992-Y1014 HydrophobicContact CE1-CG 4.42Å; Y992-Y1014 HydrophobicContact CG-CD2 4.42Å; Y992-Y1014 HydrophobicContact CG-CE2 4.49Å; F995-Y1014 HydrophobicContact CB-CE1 3.93Å; F995-Y1014 HydrophobicContact CB-CE2 4.05Å; F995-Y1014 AromaticContact CD2-CD1 3.64Å; F995-Y1014 HydrophobicContact CD2-CD1 3.64Å; F995-Y1014 AromaticContact CD2-CD2 3.77Å; F995-Y1014 HydrophobicContact CD2-CD2 3.77Å; F995-Y1014 AromaticContact CD2-CE1 3.92Å; F995-Y1014 HydrophobicContact CD2-CE1 3.92Å; F995-Y1014 HydrophobicContact CD2-CE2 4.04Å; F995-Y1014 AromaticContact CD2-CG 3.57Å; F995-Y1014 HydrophobicContact CD2-CG 3.57Å; F995-Y1014 HydrophobicContact CE2-CD1 4.28Å; F995-Y1014 HydrophobicContact CE2-CG 4.08Å; F995-Y1014 HydrophobicContact CG-CD1 4.48Å; F995-Y1014 HydrophobicContact CG-CE1 4.36Å; D996-Y1014 PolarHBondContact OD1-OH 3.06Å; I999-Y1014 WeakPolarHBondContact CD1-OH 3.36Å; I999-Y1014 HydrophobicContact CG2-CE1 4.46Å; K1006-Y1014 HydrophobicContact CD-CE2 4.12Å; K1006-Y1014 HydrophobicContact CG-CE2 4.38Å; T1009-Y1014 HydrophobicContact CG2-CD2 3.77Å; T1009-Y1014 HydrophobicContact CG2-CE2 4.35Å; Y1014-V1016 HydrophobicContact CD1-CG2 3.56Å; Y1014-V1016 HydrophobicContact CE1-CG2 3.24Å
1015	M	94.1	Very high	89.3	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.5	-175.7	-173.8	-173.6	175.6	0	0	111.8	I964 Y965 F966 V1007 E1008 L1081 V1086	I964-M1015 HydrophobicContact CD1-CE 4.36Å; I964-M1015 HydrophobicContact CG2-CE 3.79Å; I964-M1015 HydrophobicContact CG2-CG 4.36Å; Y965-M1015 WeakPolarHBondContact O-CA 2.97Å; F966-M1015 HydrophobicContact CD1-CB 4.29Å; F966-M1015 HydrophobicContact CD1-CG 4.33Å; F966-M1015 HydrophobicContact CE1-CB 4.01Å; F966-M1015 HydrophobicContact CE1-CG 3.85Å; F966-M1015 HydrophobicContact CE1-SD 3.91Å; F966-M1015 HydrophobicContact CE2-CE 4.09Å; F966-M1015 HydrophobicContact CE2-CG 4.18Å; F966-M1015 HydrophobicContact CE2-SD 4.22Å; F966-M1015 HydrophobicContact CZ-CB 4.44Å; F966-M1015 HydrophobicContact CZ-CE 3.88Å; F966-M1015 HydrophobicContact CZ-CG 3.77Å; F966-M1015 HydrophobicContact CZ-SD 3.51Å; F966-M1015 VanDerWaalsContact CZ-SD 3.51Å; V1007-M1015 HydrophobicContact CB-CB 4.4Å; V1007-M1015 HydrophobicContact CB-CE 4.37Å; V1007-M1015 HydrophobicContact CB-CG 4.05Å; V1007-M1015 HydrophobicContact CB-SD 3.93Å; V1007-M1015 HydrophobicContact CG1-CE 4.23Å; V1007-M1015 HydrophobicContact CG1-SD 3.86Å; V1007-M1015 HydrophobicContact CG2-CE 4.2Å; V1007-M1015 HydrophobicContact CG2-CG 4.3Å; V1007-M1015 HydrophobicContact CG2-SD 4.36Å; V1007-M1015 PolarHBondContact N-O 3.18Å; E1008-M1015 PolarHBondContact O-N 3.34Å; M1015-L1081 HydrophobicContact CE-CB 4.27Å; M1015-L1081 HydrophobicContact CE-CD2 4.07Å; M1015-V1086 HydrophobicContact CE-CG1 3.93Å
1016	V	94.8	Very high	89.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149	179.8	-177.3	0	0	0	0	109.6	Y965 I999 V1004 Y1005 Y1014 I1032 M1035	Y965-V1016 HydrophobicContact CD1-CB 4.23Å; Y965-V1016 HydrophobicContact CD1-CG2 4.31Å; Y965-V1016 HydrophobicContact CG-CB 4.43Å; Y965-V1016 PolarHBondContact N-O 3.03Å; Y965-V1016 PolarHBondContact O-N 3.18Å; Y965-V1016 VanDerWaalsContact O-N 3.09Å; I999-V1016 HydrophobicContact CG2-CG2 4.39Å; V1004-V1016 HydrophobicContact CB-CG1 3.6Å; V1004-V1016 HydrophobicContact CG1-CG1 4.35Å; V1004-V1016 HydrophobicContact CG2-CG1 3.77Å; Y1005-V1016 WeakPolarHBondContact O-CA 3.46Å; Y1014-V1016 HydrophobicContact CD1-CG2 3.56Å; Y1014-V1016 HydrophobicContact CE1-CG2 3.24Å; V1016-I1032 HydrophobicContact CG1-CD1 3.95Å; V1016-M1035 HydrophobicContact CB-CE 4.01Å; V1016-M1035 HydrophobicContact CG1-CE 3.78Å; V1016-M1035 HydrophobicContact CG2-CE 4.5Å
1017	V	95.7	Very high	89.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.6	178.8	64.3	0	0	0	0	111.3	V962 T963 I964 V1004 Y1005 V1007 L1020 L1081	V962-V1017 HydrophobicContact CB-CG2 4.03Å; V962-V1017 HydrophobicContact CG2-CG2 4.24Å; T963-V1017 WeakPolarHBondContact O-CA 3.49Å; T963-V1017 WeakPolarHBondContact O-CG2 3.3Å; I964-V1017 HydrophobicContact CG1-CB 4.43Å; I964-V1017 HydrophobicContact CG1-CG2 3.9Å; V1004-V1017 CarbonylContact C-O 3.07Å; V1004-V1017 WeakPolarHBondContact CA-O 3.34Å; Y1005-V1017 HydrophobicContact CD1-CG1 4.31Å; Y1005-V1017 PolarHBondContact N-O 3.37Å; Y1005-V1017 PolarHBondContact O-N 2.9Å; V1007-V1017 HydrophobicContact CG2-CB 4.18Å; V1007-V1017 HydrophobicContact CG2-CG1 3.56Å; V1017-L1020 HydrophobicContact CG1-CD1 3.69Å; V1017-L1020 HydrophobicContact CG1-CD2 4.44Å; V1017-L1020 HydrophobicContact CG1-CG 3.89Å; V1017-L1020 HydrophobicContact CG2-CD2 4Å; V1017-L1020 HydrophobicContact CG2-CG 3.93Å; V1017-L1081 HydrophobicContact CB-CD2 4.05Å; V1017-L1081 HydrophobicContact CG1-CD2 4.07Å; V1017-L1081 HydrophobicContact CG2-CD2 3.88Å
1018	S	96.6	Very high	89.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.7	167.2	-173	0	0	0	0	110.5	V962 T963 D1003 N1024 H1028	V962-S1018 WeakPolarHBondContact CA-O 3.4Å; V962-S1018 VanDerWaalsContact CB-O 3.32Å; V962-S1018 WeakPolarHBondContact CB-O 3.06Å; T963-S1018 PolarHBondContact N-O 3.03Å; T963-S1018 PolarHBondContact O-N 3.32Å; D1003-S1018 VanDerWaalsContact O-CB 3.29Å; D1003-S1018 WeakPolarHBondContact O-CB 3.41Å; D1003-S1018 PolarHBondContact O-OG 3.45Å; S1018-N1024 PolarHBondContact OG-ND2 3.31Å; S1018-H1028 WeakPolarHBondContact O-CB 3.07Å; S1018-H1028 WeakPolarHBondContact OG-CA 3.28Å
1019	G	94.3	Very high	90.3	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	90.5	1.6	-172.9	0	0	0	0	0	114.6	I1022 N1024	G1019-I1022 CarbonylContact C-O 3.55Å; G1019-N1024 WeakPolarHBondContact CA-OD1 3.38Å
1020	L	92.1	Very high	91.1	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	19%	0.185	C	C	.	.	S	Bend	trans	-146.6	153.9	170.8	72.4	80.7	0	0	0	111.1	F959 V962 V1017 I1022 C1067 A1069 Y1079 L1081	F959-L1020 HydrophobicContact CD1-CB 3.63Å; F959-L1020 HydrophobicContact CD2-CB 4.07Å; F959-L1020 HydrophobicContact CD2-CD2 4.19Å; F959-L1020 HydrophobicContact CE1-CB 3.64Å; F959-L1020 HydrophobicContact CE2-CB 4.08Å; F959-L1020 HydrophobicContact CG-CB 3.87Å; F959-L1020 HydrophobicContact CG-CD2 4.37Å; F959-L1020 HydrophobicContact CZ-CB 3.88Å; V962-L1020 HydrophobicContact CG1-CB 4.19Å; V962-L1020 HydrophobicContact CG1-CD2 3.91Å; V962-L1020 HydrophobicContact CG1-CG 4.3Å; V1017-L1020 HydrophobicContact CG1-CD1 3.69Å; V1017-L1020 HydrophobicContact CG1-CD2 4.44Å; V1017-L1020 HydrophobicContact CG1-CG 3.89Å; V1017-L1020 HydrophobicContact CG2-CD2 4Å; V1017-L1020 HydrophobicContact CG2-CG 3.93Å; L1020-I1022 PolarHBondContact N-O 3.32Å; L1020-C1067 WeakPolarHBondContact CD2-SG 3.37Å; L1020-A1069 HydrophobicContact CD1-CB 4.4Å; L1020-A1069 HydrophobicContact CD2-CB 4.14Å; L1020-Y1079 HydrophobicContact CD1-CD1 4.45Å; L1020-Y1079 HydrophobicContact CD1-CE1 3.67Å; L1020-L1081 HydrophobicContact CD1-CD1 4.17Å; L1020-L1081 HydrophobicContact CD2-CD1 4.4Å; L1020-L1081 HydrophobicContact CD2-CD2 3.7Å; L1020-L1081 HydrophobicContact CD2-CG 3.92Å
1021	P	88.2	Confident	92.2	Very high	24 Å²	24	31.4 Å²	31.4	16%	0.156	18%	0.18	C	C	.	.	S	Bend	cis	-70.7	-14.1	-6.7	32.6	-38.1	0	0	0	113	P941 F959 Y1079	P941-P1021 HydrophobicContact CB-CG 3.7Å; P941-P1021 HydrophobicContact CG-CG 4.27Å; F959-P1021 WeakPolarHBondContact CE1-O 3.39Å; P1021-Y1079 HydrophobicContact CB-CE1 4.22Å
1022	I	90.9	Very high	93.3	Very high	105 Å²	105	29.2 Å²	29.2	54%	0.538	16%	0.158	S	C	.	.	S	Bend	trans	-93	125.3	174.3	-57.8	175.9	0	0	0	108	V943 G1019 L1020	V943-I1022 HydrophobicContact CG2-CD1 4.4Å; V943-I1022 HydrophobicContact CG2-CG1 4.33Å; G1019-I1022 CarbonylContact C-O 3.55Å; L1020-I1022 PolarHBondContact N-O 3.32Å
1023	R	93.3	Very high	93.9	Very high	122 Å²	122	27.9 Å²	27.9	46%	0.46	15%	0.151	S	C	.	.			trans	-78.6	124.6	176.3	-66.2	174.9	-176.3	75.2	-2.4	109.4	E957 A958 F959	E957-R1023 IonicContact OE1-CZ 3.45Å; E957-R1023 IonicContact OE1-NH1 3.77Å; E957-R1023 PolarHBondContact OE1-NH1 3.34Å; E957-R1023 IonicContact OE1-NH2 2.71Å; E957-R1023 PolarHBondContact OE1-NH2 3.34Å; A958-R1023 PolarHBondContact O-NH2 3.36Å; F959-R1023 HydrophobicContact CD1-CG 3.89Å; F959-R1023 HydrophobicContact CE1-CG 4.13Å
1024	N	93.5	Very high	94.3	Very high	25 Å²	25	28.1 Å²	28.1	13%	0.134	15%	0.15	C	C	.	.			trans	-113.5	19.3	-178.6	62.4	6.7	0	0	0	113.5	D1003 S1018 G1019 L1027 H1028	D1003-N1024 WeakPolarHBondContact OD2-CB 3.44Å; D1003-N1024 PolarHBondContact OD2-ND2 3.48Å; S1018-N1024 PolarHBondContact OG-ND2 3.31Å; G1019-N1024 WeakPolarHBondContact CA-OD1 3.38Å; N1024-L1027 HydrophobicContact CB-CB 4.44Å; N1024-L1027 WeakPolarHBondContact O-CB 3.43Å; N1024-H1028 WeakPolarHBondContact OD1-CB 3.5Å; N1024-H1028 PolarHBondContact OD1-N 3.39Å
1025	G	92.5	Very high	94.5	Very high	50 Å²	50	28.1 Å²	28.1	52%	0.515	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	-147.2	-174.3	0	0	0	0	0	111	L1027 H1028	G1025-L1027 PolarHBondContact O-N 2.87Å; G1025-L1027 VanDerWaalsContact O-N 3.1Å; G1025-H1028 PolarHBondContact O-CD2 3.11Å
1026	Q	91.3	Very high	94.6	Very high	79 Å²	79	27.9 Å²	27.9	37%	0.369	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.4	-178.2	-74.5	-179.3	-11.8	0	0	114.8	H1028 A1029 I1110 L1114	Q1026-H1028 PolarHBondContact O-N 3.33Å; Q1026-A1029 PolarHBondContact O-N 3.34Å; Q1026-I1110 HydrophobicContact CB-CG2 3.79Å; Q1026-I1110 HydrophobicContact CG-CG2 4.09Å; Q1026-I1110 WeakPolarHBondContact O-CG2 3.3Å; Q1026-L1114 HydrophobicContact CB-CD2 4.47Å
1027	L	94.9	Very high	94.6	Very high	95 Å²	95	27.9 Å²	27.9	50%	0.497	15%	0.149	S	C	.	.	H	α-helix	trans	-61.8	-26.5	-177.8	-65.2	174.8	0	0	0	112.8	N1024 G1025 A1029 G1030 E1031 L1114	N1024-L1027 HydrophobicContact CB-CB 4.44Å; N1024-L1027 WeakPolarHBondContact O-CB 3.43Å; G1025-L1027 PolarHBondContact O-N 2.87Å; G1025-L1027 VanDerWaalsContact O-N 3.1Å; L1027-A1029 PolarHBondContact O-N 3.3Å; L1027-G1030 WeakPolarHBondContact O-CA 3.42Å; L1027-G1030 PolarHBondContact O-N 3.03Å; L1027-E1031 PolarHBondContact O-N 2.96Å; L1027-L1114 HydrophobicContact CD2-CD2 4.16Å
1028	H	96.6	Very high	94.6	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-51.5	-34.2	179	58	70.4	0	0	0	114.4	E961 T963 S1018 N1024 G1025 Q1026 I1032	E961-H1028 WeakPolarHBondContact CG-NE2 3.1Å; T963-H1028 PolarHBondContact N-ND1 2.94Å; T963-H1028 PolarHBondContact OG1-ND1 2.84Å; S1018-H1028 WeakPolarHBondContact O-CB 3.07Å; S1018-H1028 WeakPolarHBondContact OG-CA 3.28Å; N1024-H1028 WeakPolarHBondContact OD1-CB 3.5Å; N1024-H1028 PolarHBondContact OD1-N 3.39Å; G1025-H1028 PolarHBondContact O-CD2 3.11Å; Q1026-H1028 PolarHBondContact O-N 3.33Å; H1028-I1032 WeakPolarHBondContact O-CB 3.49Å; H1028-I1032 VanDerWaalsContact O-CG1 3.27Å; H1028-I1032 WeakPolarHBondContact O-CG1 3.25Å; H1028-I1032 PolarHBondContact O-N 3.09Å
1029	A	97	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-40.4	177.2	0	0	0	0	0	111.4	T963 Q1026 L1027 A1033 T1107 I1110 L1111 L1114	T963-A1029 VanDerWaalsContact OG1-CA 3.3Å; T963-A1029 WeakPolarHBondContact OG1-CA 3.5Å; T963-A1029 PolarHBondContact OG1-N 3.06Å; Q1026-A1029 PolarHBondContact O-N 3.34Å; L1027-A1029 PolarHBondContact O-N 3.3Å; A1029-A1033 WeakPolarHBondContact O-CB 3.43Å; A1029-A1033 PolarHBondContact O-N 3.34Å; A1029-T1107 HydrophobicContact CB-CG2 4.39Å; A1029-I1110 HydrophobicContact CB-CB 3.82Å; A1029-I1110 HydrophobicContact CB-CD1 4.3Å; A1029-I1110 HydrophobicContact CB-CG2 3.53Å; A1029-L1111 HydrophobicContact CB-CD2 4.1Å; A1029-L1111 HydrophobicContact CB-CG 4.4Å; A1029-L1114 HydrophobicContact CB-CD1 4.48Å
1030	G	95.8	Very high	94.4	Very high	4 Å²	4	28.3 Å²	28.3	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-41.4	180	0	0	0	0	0	113.4	L1027 A1033 T1034 Y1117	L1027-G1030 WeakPolarHBondContact O-CA 3.42Å; L1027-G1030 PolarHBondContact O-N 3.03Å; G1030-A1033 PolarHBondContact O-N 2.94Å; G1030-T1034 WeakPolarHBondContact O-CB 3.45Å; G1030-T1034 PolarHBondContact O-N 2.88Å; G1030-T1034 PolarHBondContact O-OG1 2.82Å; G1030-Y1117 WeakPolarHBondContact CA-OH 3.35Å; G1030-Y1117 PolarHBondContact O-OH 3.35Å; G1030-Y1117 VanDerWaalsContact O-OH 3.14Å
1031	E	96.5	Very high	94.5	Very high	52 Å²	52	28.4 Å²	28.4	24%	0.243	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-55.3	173.8	-68.2	-59	122.7	0	0	110.3	D1003 V1004 L1027 A1033 T1034 M1035	D1003-E1031 HydrophobicContact CB-CG 4.12Å; D1003-E1031 PolarHBondContact N-OE2 2.89Å; V1004-E1031 HydrophobicContact CG1-CB 4.2Å; L1027-E1031 PolarHBondContact O-N 2.96Å; E1031-A1033 PolarHBondContact O-N 3.2Å; E1031-T1034 PolarHBondContact O-N 3.19Å; E1031-M1035 VanDerWaalsContact O-CB 3.24Å; E1031-M1035 WeakPolarHBondContact O-CB 3.49Å; E1031-M1035 PolarHBondContact O-N 3.12Å
1032	I	97.4	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-41.3	179.7	-67	-69.1	0	0	0	112.3	T963 Y965 V1004 V1016 H1028 M1035 A1036 L1062	T963-I1032 HydrophobicContact CG2-CB 3.82Å; T963-I1032 HydrophobicContact CG2-CG1 4.08Å; T963-I1032 HydrophobicContact CG2-CG2 3.72Å; Y965-I1032 HydrophobicContact CD2-CG2 4.4Å; V1004-I1032 HydrophobicContact CB-CD1 4.35Å; V1004-I1032 HydrophobicContact CG1-CD1 3.77Å; V1004-I1032 HydrophobicContact CG1-CG1 4.45Å; V1016-I1032 HydrophobicContact CG1-CD1 3.95Å; H1028-I1032 WeakPolarHBondContact O-CB 3.49Å; H1028-I1032 VanDerWaalsContact O-CG1 3.27Å; H1028-I1032 WeakPolarHBondContact O-CG1 3.25Å; H1028-I1032 PolarHBondContact O-N 3.09Å; I1032-M1035 HydrophobicContact CD1-CE 3.59Å; I1032-M1035 HydrophobicContact CG2-CE 4.36Å; I1032-A1036 WeakPolarHBondContact O-CB 3.39Å; I1032-A1036 PolarHBondContact O-N 2.87Å; I1032-L1062 HydrophobicContact CG2-CD1 4.23Å; I1032-L1062 HydrophobicContact CG2-CD2 3.57Å; I1032-L1062 HydrophobicContact CG2-CG 4.44Å
1033	A	97	Very high	94.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-37	178.8	0	0	0	0	0	112.7	A1029 G1030 E1031 L1037 L1062 L1111 Y1117 L1138	A1029-A1033 WeakPolarHBondContact O-CB 3.43Å; A1029-A1033 PolarHBondContact O-N 3.34Å; G1030-A1033 PolarHBondContact O-N 2.94Å; E1031-A1033 PolarHBondContact O-N 3.2Å; A1033-L1037 WeakPolarHBondContact O-CG 3.35Å; A1033-L1037 PolarHBondContact O-N 2.63Å; A1033-L1062 HydrophobicContact CB-CD1 4.45Å; A1033-L1111 HydrophobicContact CB-CD1 4.08Å; A1033-L1111 HydrophobicContact CB-CD2 3.67Å; A1033-Y1117 HydrophobicContact CB-CD1 4.07Å; A1033-Y1117 HydrophobicContact CB-CE1 3.71Å; A1033-L1138 HydrophobicContact CB-CD2 3.8Å
1034	T	95.7	Very high	94.3	Very high	17 Å²	17	20.7 Å²	20.7	10%	0.104	13%	0.128	C	C	.	.	H	α-helix	trans	-73	-44.6	177.7	-49.6	0	0	0	0	111	Y1002 G1030 E1031 A1036 L1037 D1038 Y1117 K1141	Y1002-T1034 HydrophobicContact CE1-CG2 3.74Å; G1030-T1034 WeakPolarHBondContact O-CB 3.45Å; G1030-T1034 PolarHBondContact O-N 2.88Å; G1030-T1034 PolarHBondContact O-OG1 2.82Å; E1031-T1034 PolarHBondContact O-N 3.19Å; T1034-A1036 VanDerWaalsContact C-N 3.32Å; T1034-A1036 PolarHBondContact O-N 3.02Å; T1034-L1037 PolarHBondContact O-N 2.83Å; T1034-D1038 PolarHBondContact O-N 2.95Å; T1034-D1038 VanDerWaalsContact O-N 3.13Å; T1034-Y1117 PolarHBondContact OG1-OH 3.46Å; T1034-Y1117 VanDerWaalsContact OG1-OH 3.09Å; T1034-K1141 HydrophobicContact CG2-CD 4.27Å; T1034-K1141 PolarHBondContact OG1-NZ 2.91Å
1035	M	96	Very high	94	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-41.1	174	177.3	-84.2	-67.8	0	0	111.7	Y965 I999 Y1002 V1016 E1031 I1032 L1037 D1038 L1039	Y965-M1035 HydrophobicContact CD2-CE 3.7Å; Y965-M1035 HydrophobicContact CD2-SD 4.21Å; Y965-M1035 HydrophobicContact CE2-CE 4.25Å; Y965-M1035 HydrophobicContact CE2-SD 4.15Å; Y965-M1035 HydrophobicContact CG-CE 3.88Å; I999-M1035 HydrophobicContact CG2-CG 4.04Å; I999-M1035 HydrophobicContact CG2-SD 4.16Å; Y1002-M1035 HydrophobicContact CD1-CB 4.25Å; Y1002-M1035 HydrophobicContact CD2-CB 3.7Å; Y1002-M1035 HydrophobicContact CD2-CG 3.84Å; Y1002-M1035 HydrophobicContact CE1-CB 4.49Å; Y1002-M1035 HydrophobicContact CE2-CB 3.96Å; Y1002-M1035 HydrophobicContact CE2-CG 4.25Å; Y1002-M1035 HydrophobicContact CG-CB 3.85Å; Y1002-M1035 HydrophobicContact CG-CG 4.34Å; V1016-M1035 HydrophobicContact CB-CE 4.01Å; V1016-M1035 HydrophobicContact CG1-CE 3.78Å; V1016-M1035 HydrophobicContact CG2-CE 4.5Å; E1031-M1035 VanDerWaalsContact O-CB 3.24Å; E1031-M1035 WeakPolarHBondContact O-CB 3.49Å; E1031-M1035 PolarHBondContact O-N 3.12Å; I1032-M1035 HydrophobicContact CD1-CE 3.59Å; I1032-M1035 HydrophobicContact CG2-CE 4.36Å; M1035-L1037 VanDerWaalsContact C-N 3.35Å; M1035-L1037 PolarHBondContact O-N 2.81Å; M1035-D1038 PolarHBondContact O-N 3.41Å; M1035-D1038 VanDerWaalsContact O-N 3.15Å; M1035-L1039 PolarHBondContact O-N 3.07Å; M1035-L1039 HydrophobicContact SD-CD1 3.35Å; M1035-L1039 WeakPolarHBondContact SD-CD1 3.09Å; M1035-L1039 HydrophobicContact SD-CG 3.82Å
1036	A	96.4	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-38	177.3	0	0	0	0	0	113.3	Y965 I1032 T1034 L1040 I1060 L1062 I1101	Y965-A1036 HydrophobicContact CD2-CB 3.96Å; Y965-A1036 HydrophobicContact CE2-CB 3.75Å; I1032-A1036 WeakPolarHBondContact O-CB 3.39Å; I1032-A1036 PolarHBondContact O-N 2.87Å; T1034-A1036 VanDerWaalsContact C-N 3.32Å; T1034-A1036 PolarHBondContact O-N 3.02Å; A1036-L1040 VanDerWaalsContact O-CB 3.24Å; A1036-L1040 WeakPolarHBondContact O-CB 3.37Å; A1036-L1040 PolarHBondContact O-N 2.85Å; A1036-L1040 VanDerWaalsContact O-N 3.08Å; A1036-I1060 HydrophobicContact CB-CD1 4.49Å; A1036-I1060 HydrophobicContact CB-CG2 4.29Å; A1036-L1062 HydrophobicContact CB-CD1 4.44Å; A1036-L1062 HydrophobicContact CB-CD2 4.43Å; A1036-I1101 HydrophobicContact CB-CD1 3.84Å; A1036-I1101 HydrophobicContact CB-CG1 4.28Å; A1036-I1101 HydrophobicContact CB-CG2 4.35Å
1037	L	95.6	Very high	93.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-37.5	173.9	-70.6	166.9	0	0	0	111.6	A1033 T1034 M1035 L1040 S1041 I1101 L1138 K1141 F1144 L1148	A1033-L1037 WeakPolarHBondContact O-CG 3.35Å; A1033-L1037 PolarHBondContact O-N 2.63Å; T1034-L1037 PolarHBondContact O-N 2.83Å; M1035-L1037 VanDerWaalsContact C-N 3.35Å; M1035-L1037 PolarHBondContact O-N 2.81Å; L1037-L1040 PolarHBondContact O-N 3.38Å; L1037-S1041 WeakPolarHBondContact O-CB 3.41Å; L1037-S1041 PolarHBondContact O-N 3.21Å; L1037-I1101 HydrophobicContact CD2-CD1 3.72Å; L1037-I1101 HydrophobicContact CG-CD1 4Å; L1037-L1138 HydrophobicContact CD1-CD2 4.15Å; L1037-L1138 HydrophobicContact CD1-CG 4.44Å; L1037-L1138 HydrophobicContact CD2-CD2 4.39Å; L1037-L1138 HydrophobicContact CD2-CG 4.32Å; L1037-L1138 HydrophobicContact CG-CD2 4.06Å; L1037-L1138 HydrophobicContact CG-CG 4.46Å; L1037-K1141 HydrophobicContact CD1-CB 3.87Å; L1037-F1144 VanDerWaalsContact C-CZ 3.45Å; L1037-F1144 HydrophobicContact CB-CD1 4.45Å; L1037-F1144 HydrophobicContact CB-CD2 4.25Å; L1037-F1144 HydrophobicContact CB-CE1 3.99Å; L1037-F1144 HydrophobicContact CB-CE2 3.77Å; L1037-F1144 HydrophobicContact CB-CZ 3.63Å; L1037-F1144 WeakPolarHBondContact O-CZ 3.41Å; L1037-L1148 HydrophobicContact CD2-CD1 3.9Å; L1037-L1148 HydrophobicContact CD2-CD2 4.25Å; L1037-L1148 WeakPolarHBondContact O-CD2 3.5Å
1038	D	94.8	Very high	93.5	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-49.9	177.5	-157.7	-15.5	0	0	0	112.3	T998 Y1002 T1034 M1035 L1040 S1041 Q1042 F1144 K1146	T998-D1038 HydrophobicContact CG2-CB 4Å; Y1002-D1038 HydrophobicContact CE2-CB 4.38Å; Y1002-D1038 PolarHBondContact OH-OD2 3.27Å; Y1002-D1038 VanDerWaalsContact OH-OD2 3.1Å; T1034-D1038 PolarHBondContact O-N 2.95Å; T1034-D1038 VanDerWaalsContact O-N 3.13Å; M1035-D1038 PolarHBondContact O-N 3.41Å; M1035-D1038 VanDerWaalsContact O-N 3.15Å; D1038-L1040 VanDerWaalsContact C-N 3.26Å; D1038-L1040 PolarHBondContact O-N 2.83Å; D1038-S1041 WeakPolarHBondContact O-CB 3.33Å; D1038-S1041 PolarHBondContact O-N 3.3Å; D1038-S1041 VanDerWaalsContact O-N 3.1Å; D1038-Q1042 PolarHBondContact O-N 2.95Å; D1038-Q1042 PolarHBondContact OD1-NE2 3.38Å; D1038-F1144 HydrophobicContact CB-CE2 4.37Å; D1038-K1146 WeakPolarHBondContact OD1-CD 3.24Å; D1038-K1146 IonicContact OD1-NZ 2.65Å; D1038-K1146 PolarHBondContact OD1-NZ 2.73Å; D1038-K1146 IonicContact OD2-NZ 2.93Å; D1038-K1146 PolarHBondContact OD2-NZ 3.13Å
1039	L	94.1	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-38.7	174.4	-69	-172.2	0	0	0	112	Y965 F995 T998 M1035 C1043	Y965-L1039 HydrophobicContact CE1-CD1 4.32Å; Y965-L1039 HydrophobicContact CE2-CD1 4.26Å; Y965-L1039 WeakPolarHBondContact OH-CD1 3.3Å; F995-L1039 HydrophobicContact CB-CD2 4.16Å; F995-L1039 HydrophobicContact CD1-CD1 4.48Å; F995-L1039 HydrophobicContact CD1-CD2 3.62Å; F995-L1039 HydrophobicContact CE1-CD2 4.22Å; F995-L1039 HydrophobicContact CG-CD1 4.42Å; F995-L1039 HydrophobicContact CG-CD2 4.02Å; T998-L1039 HydrophobicContact CG2-CD2 3.72Å; T998-L1039 HydrophobicContact CG2-CG 4.37Å; M1035-L1039 PolarHBondContact O-N 3.07Å; M1035-L1039 HydrophobicContact SD-CD1 3.35Å; M1035-L1039 WeakPolarHBondContact SD-CD1 3.09Å; M1035-L1039 HydrophobicContact SD-CG 3.82Å; L1039-C1043 WeakPolarHBondContact O-CB 3.3Å; L1039-C1043 PolarHBondContact O-N 3.48Å
1040	L	93.4	Very high	92.7	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-39.3	176.4	-177.3	61.9	0	0	0	112.1	A1036 L1037 D1038 G1044 I1060 F1099 I1101 L1148 P1149	A1036-L1040 VanDerWaalsContact O-CB 3.24Å; A1036-L1040 WeakPolarHBondContact O-CB 3.37Å; A1036-L1040 PolarHBondContact O-N 2.85Å; A1036-L1040 VanDerWaalsContact O-N 3.08Å; L1037-L1040 PolarHBondContact O-N 3.38Å; D1038-L1040 VanDerWaalsContact C-N 3.26Å; D1038-L1040 PolarHBondContact O-N 2.83Å; L1040-G1044 PolarHBondContact O-N 3.15Å; L1040-G1044 VanDerWaalsContact O-N 3.15Å; L1040-I1060 HydrophobicContact CB-CD1 4.18Å; L1040-F1099 HydrophobicContact CD1-CB 4.23Å; L1040-F1099 HydrophobicContact CD1-CD1 3.87Å; L1040-I1101 HydrophobicContact CD2-CD1 4.06Å; L1040-I1101 HydrophobicContact CD2-CG1 4.13Å; L1040-L1148 HydrophobicContact CB-CD2 4.45Å; L1040-L1148 HydrophobicContact CD2-CD2 4.35Å; L1040-L1148 HydrophobicContact CG-CD2 4.4Å; L1040-P1149 HydrophobicContact CD1-CG 3.93Å; L1040-P1149 HydrophobicContact CG-CG 4.07Å; L1040-P1149 WeakPolarHBondContact O-CD 3.42Å
1041	S	92.8	Very high	92.3	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-51.1	174.4	-176.6	0	0	0	0	111.8	L1037 D1038 C1043 G1044 K1146 P1147	L1037-S1041 WeakPolarHBondContact O-CB 3.41Å; L1037-S1041 PolarHBondContact O-N 3.21Å; D1038-S1041 WeakPolarHBondContact O-CB 3.33Å; D1038-S1041 PolarHBondContact O-N 3.3Å; D1038-S1041 VanDerWaalsContact O-N 3.1Å; S1041-C1043 PolarHBondContact O-N 2.78Å; S1041-G1044 PolarHBondContact O-N 3.49Å; S1041-G1044 VanDerWaalsContact O-N 3.13Å; S1041-K1146 WeakPolarHBondContact OG-CB 3.4Å; S1041-P1147 WeakPolarHBondContact CA-O 3.31Å; S1041-P1147 VanDerWaalsContact CB-O 3.26Å; S1041-P1147 WeakPolarHBondContact CB-O 3.26Å; S1041-P1147 PolarHBondContact OG-O 3.31Å
1042	Q	91.3	Very high	91.9	Very high	48 Å²	48	30.5 Å²	30.5	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-36.6	-178.3	-66	-177	54.2	0	0	112.6	M994 T998 D1038 G1044 T1045 F1046	M994-Q1042 HydrophobicContact CE-CB 3.96Å; M994-Q1042 HydrophobicContact CG-CB 4.37Å; M994-Q1042 HydrophobicContact SD-CB 3.5Å; M994-Q1042 WeakPolarHBondContact SD-CB 3.44Å; M994-Q1042 HydrophobicContact SD-CG 4.38Å; M994-Q1042 PolarHBondContact SD-OE1 2.73Å; T998-Q1042 PolarHBondContact OG1-NE2 3.1Å; T998-Q1042 PolarHBondContact OG1-OE1 2.95Å; D1038-Q1042 PolarHBondContact O-N 2.95Å; D1038-Q1042 PolarHBondContact OD1-NE2 3.38Å; Q1042-G1044 VanDerWaalsContact C-N 3.26Å; Q1042-G1044 PolarHBondContact O-N 3.46Å; Q1042-T1045 CarbonylContact O-C 3.5Å; Q1042-T1045 PolarHBondContact O-N 3.45Å; Q1042-T1045 PolarHBondContact O-OG1 2.81Å; Q1042-F1046 PolarHBondContact O-N 3.27Å
1043	C	90.2	Very high	91.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-37	171	-176.3	0	0	0	0	112.2	L1039 S1041 T1045 F1046 L1056 L1058	L1039-C1043 WeakPolarHBondContact O-CB 3.3Å; L1039-C1043 PolarHBondContact O-N 3.48Å; S1041-C1043 PolarHBondContact O-N 2.78Å; C1043-T1045 PolarHBondContact O-N 3.31Å; C1043-T1045 VanDerWaalsContact O-N 3.15Å; C1043-F1046 WeakPolarHBondContact O-CB 3.13Å; C1043-F1046 PolarHBondContact O-N 2.98Å; C1043-F1046 VanDerWaalsContact O-N 3.08Å; C1043-L1056 WeakPolarHBondContact SG-CD2 3.47Å; C1043-L1056 PolarHBondContact SG-O 2.86Å; C1043-L1056 VanDerWaalsContact SG-O 3.32Å; C1043-L1058 HydrophobicContact CB-CB 4.44Å; C1043-L1058 HydrophobicContact CB-CD2 4.44Å
1044	G	86.9	Confident	90.7	Very high	40 Å²	40	37.6 Å²	37.6	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.2	174.3	0	0	0	0	0	114.7	L1040 S1041 Q1042	L1040-G1044 PolarHBondContact O-N 3.15Å; L1040-G1044 VanDerWaalsContact O-N 3.15Å; S1041-G1044 PolarHBondContact O-N 3.49Å; S1041-G1044 VanDerWaalsContact O-N 3.13Å; Q1042-G1044 VanDerWaalsContact C-N 3.26Å; Q1042-G1044 PolarHBondContact O-N 3.46Å
1045	T	87.2	Confident	90.2	Very high	110 Å²	110	40 Å²	40	68%	0.675	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	1.2	175.6	55.6	0	0	0	0	114.2	Q1042 C1043	Q1042-T1045 CarbonylContact O-C 3.5Å; Q1042-T1045 PolarHBondContact O-N 3.45Å; Q1042-T1045 PolarHBondContact O-OG1 2.81Å; C1043-T1045 PolarHBondContact O-N 3.31Å; C1043-T1045 VanDerWaalsContact O-N 3.15Å
1046	F	90.1	Very high	89.8	Confident	33 Å²	33	40 Å²	40	15%	0.145	22%	0.224	C	C	.	.			trans	-79.9	128.9	-175.1	-173.8	-83.7	0	0	0	111.6	L987 D990 L991 M994 Q1042 C1043 I1048 L1056	L987-F1046 HydrophobicContact CD1-CE1 3.63Å; L987-F1046 HydrophobicContact CD1-CZ 4.04Å; D990-F1046 HydrophobicContact CB-CE2 4.04Å; D990-F1046 HydrophobicContact CB-CZ 3.84Å; L991-F1046 HydrophobicContact CB-CE2 4.25Å; L991-F1046 HydrophobicContact CB-CZ 4.06Å; L991-F1046 HydrophobicContact CD1-CD2 4.23Å; L991-F1046 HydrophobicContact CD1-CE2 4.19Å; L991-F1046 HydrophobicContact CD1-CG 4.4Å; L991-F1046 HydrophobicContact CD1-CZ 4.33Å; M994-F1046 HydrophobicContact CE-CB 4.47Å; M994-F1046 HydrophobicContact CE-CD2 3.94Å; Q1042-F1046 PolarHBondContact O-N 3.27Å; C1043-F1046 WeakPolarHBondContact O-CB 3.13Å; C1043-F1046 PolarHBondContact O-N 2.98Å; C1043-F1046 VanDerWaalsContact O-N 3.08Å; F1046-I1048 HydrophobicContact CE1-CG1 4.38Å; F1046-L1056 HydrophobicContact CD1-CB 4.08Å; F1046-L1056 HydrophobicContact CD1-CD1 3.78Å; F1046-L1056 HydrophobicContact CD1-CG 4.47Å; F1046-L1056 HydrophobicContact CE1-CD1 3.74Å
1047	V	89.6	Confident	89.5	Confident	89 Å²	89	42.2 Å²	42.2	54%	0.539	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-114.6	125.1	-177.9	-177.6	0	0	0	0	110.2	R1049 P1052	V1047-R1049 PolarHBondContact O-N 3.32Å; V1047-P1052 HydrophobicContact CG1-CB 3.66Å
1048	I	89.6	Confident	89.3	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.232	C	C	.	.			trans	-73	114.4	177.7	-57.4	178.9	0	0	0	109	I975 L987 F1046 H1050 M1051 P1052 L1056	I975-I1048 HydrophobicContact CD1-CD1 4.16Å; I975-I1048 HydrophobicContact CG2-CD1 4.42Å; L987-I1048 HydrophobicContact CD1-CB 4.41Å; L987-I1048 HydrophobicContact CD1-CD1 4.46Å; L987-I1048 HydrophobicContact CD1-CG1 3.9Å; L987-I1048 HydrophobicContact CD1-CG2 4.12Å; L987-I1048 HydrophobicContact CD2-CD1 4.41Å; L987-I1048 HydrophobicContact CD2-CG2 4.25Å; F1046-I1048 HydrophobicContact CE1-CG1 4.38Å; I1048-H1050 VanDerWaalsContact C-N 3.25Å; I1048-H1050 WeakPolarHBondContact CG2-CE1 3.32Å; I1048-H1050 PolarHBondContact O-N 3.43Å; I1048-M1051 HydrophobicContact CB-CB 4.41Å; I1048-M1051 HydrophobicContact CG2-CB 4.06Å; I1048-M1051 CarbonylContact O-C 3.44Å; I1048-M1051 PolarHBondContact O-N 2.94Å; I1048-P1052 WeakPolarHBondContact O-CA 3.49Å; I1048-P1052 VanDerWaalsContact O-N 3.13Å; I1048-L1056 HydrophobicContact CD1-CB 4.44Å; I1048-L1056 HydrophobicContact CD1-CD1 4.4Å; I1048-L1056 HydrophobicContact CG1-CB 4.47Å; I1048-L1056 HydrophobicContact CG1-CD1 4.33Å
1049	R	89.4	Confident	89.2	Confident	141 Å²	141	43.6 Å²	43.6	53%	0.532	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-40.7	-172.9	-79	-168.3	-91.4	149	-9.8	114.8	D986 D990 V1047	D986-R1049 IonicContact OD1-CZ 3.38Å; D986-R1049 IonicContact OD1-NH1 3.7Å; D986-R1049 PolarHBondContact OD1-NH1 3.45Å; D986-R1049 VanDerWaalsContact OD1-NH1 3.08Å; D986-R1049 IonicContact OD1-NH2 3.21Å; D986-R1049 PolarHBondContact OD1-NH2 2.98Å; D986-R1049 IonicContact OD2-NH1 3.93Å; D990-R1049 IonicContact OD1-CZ 3.96Å; D990-R1049 IonicContact OD1-NE 3.06Å; D990-R1049 IonicContact OD1-NH2 2.78Å; D990-R1049 PolarHBondContact OD1-NH2 3.15Å; D990-R1049 IonicContact OD2-CZ 3.19Å; D990-R1049 VanDerWaalsContact OD2-CZ 3.23Å; D990-R1049 IonicContact OD2-NE 3.57Å; D990-R1049 PolarHBondContact OD2-NE 3.32Å; D990-R1049 IonicContact OD2-NH2 3.91Å; D990-R1049 PolarHBondContact OD2-NH2 3.15Å; V1047-R1049 PolarHBondContact O-N 3.32Å
1050	H	87.8	Confident	89.3	Confident	49 Å²	49	43.6 Å²	43.6	23%	0.227	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-7.8	-178.4	60.2	-71.3	0	0	0	114.8	S979 Q983 I1048	S979-H1050 PolarHBondContact OG-NE2 3.44Å; Q983-H1050 HydrophobicContact CG-CB 4.09Å; I1048-H1050 VanDerWaalsContact C-N 3.25Å; I1048-H1050 WeakPolarHBondContact CG2-CE1 3.32Å; I1048-H1050 PolarHBondContact O-N 3.43Å
1051	M	87.5	Confident	89.5	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.069	24%	0.235	C	C	.	.			trans	-140.6	64.2	176.9	-73.5	-169.2	-74.3	0	0	110.3	I975 L978 S979 I1048 D1053 V1054 M1174	I975-M1051 HydrophobicContact CB-CE 4.4Å; I975-M1051 HydrophobicContact CG2-CE 3.75Å; L978-M1051 HydrophobicContact CB-CE 4.36Å; L978-M1051 HydrophobicContact CB-SD 4.14Å; S979-M1051 WeakPolarHBondContact OG-CE 3.38Å; I1048-M1051 HydrophobicContact CB-CB 4.41Å; I1048-M1051 HydrophobicContact CG2-CB 4.06Å; I1048-M1051 CarbonylContact O-C 3.44Å; I1048-M1051 PolarHBondContact O-N 2.94Å; M1051-D1053 PolarHBondContact O-N 3.37Å; M1051-D1053 VanDerWaalsContact O-N 3.15Å; M1051-V1054 HydrophobicContact CB-CB 4.24Å; M1051-V1054 HydrophobicContact CB-CG2 4.05Å; M1051-V1054 PolarHBondContact O-N 2.87Å; M1051-V1054 HydrophobicContact SD-CG2 4.43Å; M1051-M1174 HydrophobicContact SD-SD 4.4Å
1052	P	87.7	Confident	89.7	Confident	76 Å²	76	42.8 Å²	42.8	49%	0.494	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.1	-170.8	26	-36	0	0	0	113.9	V1047 I1048 V1054	V1047-P1052 HydrophobicContact CG1-CB 3.66Å; I1048-P1052 WeakPolarHBondContact O-CA 3.49Å; I1048-P1052 VanDerWaalsContact O-N 3.13Å; P1052-V1054 VanDerWaalsContact C-N 3.3Å; P1052-V1054 PolarHBondContact O-N 3.32Å
1053	D	84.5	Confident	90	Very high	140 Å²	140	41.2 Å²	41.2	75%	0.749	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.5	178.5	-51.2	-60.5	0	0	0	113.5	M1051 P1055	M1051-D1053 PolarHBondContact O-N 3.37Å; M1051-D1053 VanDerWaalsContact O-N 3.15Å; D1053-P1055 WeakPolarHBondContact O-CD 3.09Å
1054	V	84.4	Confident	90.3	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	23%	0.225	C	C	.	.	S	Bend	trans	-100	107	-179.2	-177.6	0	0	0	0	109.5	M1051 P1052 L1056 L1162 M1174	M1051-V1054 HydrophobicContact CB-CB 4.24Å; M1051-V1054 HydrophobicContact CB-CG2 4.05Å; M1051-V1054 PolarHBondContact O-N 2.87Å; M1051-V1054 HydrophobicContact SD-CG2 4.43Å; P1052-V1054 VanDerWaalsContact C-N 3.3Å; P1052-V1054 PolarHBondContact O-N 3.32Å; V1054-L1056 PolarHBondContact O-N 2.92Å; V1054-L1162 HydrophobicContact CG1-CD2 4.3Å; V1054-M1174 HydrophobicContact CG2-CE 4.1Å
1055	P	84.5	Confident	90.7	Very high	68 Å²	68	40.2 Å²	40.2	44%	0.442	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-69.9	130.9	-179.8	28.2	-34.4	0	0	0	110.7	D1053 R1057	D1053-P1055 WeakPolarHBondContact O-CD 3.09Å; P1055-R1057 PolarHBondContact O-N 3.3Å
1056	L	88	Confident	91.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.			trans	-73.8	117.5	175.3	-163.4	146.5	0	0	0	109.4	I969 L987 L991 C1043 F1046 I1048 V1054 F1099	I969-L1056 HydrophobicContact CD1-CD1 4.46Å; I969-L1056 HydrophobicContact CG1-CD2 4.35Å; I969-L1056 HydrophobicContact CG2-CD1 4.49Å; I969-L1056 HydrophobicContact CG2-CD2 4.15Å; I969-L1056 HydrophobicContact CG2-CG 4Å; L987-L1056 HydrophobicContact CD1-CD1 3.9Å; L991-L1056 HydrophobicContact CD1-CD1 4.18Å; L991-L1056 HydrophobicContact CD1-CD2 4.09Å; L991-L1056 HydrophobicContact CD2-CD1 4.29Å; L991-L1056 HydrophobicContact CD2-CD2 4.43Å; C1043-L1056 WeakPolarHBondContact SG-CD2 3.47Å; C1043-L1056 PolarHBondContact SG-O 2.86Å; C1043-L1056 VanDerWaalsContact SG-O 3.32Å; F1046-L1056 HydrophobicContact CD1-CB 4.08Å; F1046-L1056 HydrophobicContact CD1-CD1 3.78Å; F1046-L1056 HydrophobicContact CD1-CG 4.47Å; F1046-L1056 HydrophobicContact CE1-CD1 3.74Å; I1048-L1056 HydrophobicContact CD1-CB 4.44Å; I1048-L1056 HydrophobicContact CD1-CD1 4.4Å; I1048-L1056 HydrophobicContact CG1-CB 4.47Å; I1048-L1056 HydrophobicContact CG1-CD1 4.33Å; V1054-L1056 PolarHBondContact O-N 2.92Å; L1056-F1099 VanDerWaalsContact O-CE1 3.28Å; L1056-F1099 WeakPolarHBondContact O-CE1 3.05Å; L1056-F1099 WeakPolarHBondContact O-CZ 2.97Å
1057	R	89.7	Confident	91.4	Very high	45 Å²	45	37.1 Å²	37.1	17%	0.17	20%	0.202	C	C	.	.			trans	-107.5	106.9	-175.1	-68.4	-176.8	-175.3	-165	2	110.5	V970 P1055 A1098 F1099	V970-R1057 HydrophobicContact CB-CB 4.09Å; V970-R1057 WeakPolarHBondContact CB-O 3.27Å; V970-R1057 WeakPolarHBondContact CG2-O 3.44Å; V970-R1057 PolarHBondContact N-O 3.37Å; P1055-R1057 PolarHBondContact O-N 3.3Å; R1057-A1098 HydrophobicContact CB-CB 4.21Å; R1057-F1099 HydrophobicContact CB-CE1 4.44Å; R1057-F1099 HydrophobicContact CB-CZ 4.41Å; R1057-F1099 HydrophobicContact CG-CD2 4.44Å; R1057-F1099 HydrophobicContact CG-CE1 4.32Å; R1057-F1099 HydrophobicContact CG-CE2 3.87Å; R1057-F1099 HydrophobicContact CG-CZ 3.8Å
1058	L	91.9	Very high	91.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.9	176.8	-161.6	66.3	0	0	0	110.8	F995 C1043 I1060 F1099	F995-L1058 HydrophobicContact CE1-CD2 4.41Å; F995-L1058 HydrophobicContact CZ-CD1 4.01Å; F995-L1058 HydrophobicContact CZ-CD2 3.81Å; C1043-L1058 HydrophobicContact CB-CB 4.44Å; C1043-L1058 HydrophobicContact CB-CD2 4.44Å; L1058-I1060 HydrophobicContact CD2-CD1 3.95Å; L1058-I1060 HydrophobicContact CD2-CG1 4.02Å; L1058-I1060 HydrophobicContact CG-CD1 4.43Å; L1058-I1060 HydrophobicContact CG-CG1 4.04Å; L1058-F1099 WeakPolarHBondContact O-CA 3.39Å; L1058-F1099 PolarHBondContact O-N 3.34Å
1059	R	93.4	Very high	91.8	Very high	33 Å²	33	35.8 Å²	35.8	13%	0.125	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.6	165.9	176.2	173.2	67.3	-172.4	-1	107.9	S967 D968 V970 E1093 S1094 G1096	S967-R1059 CarbonylContact C-O 3.58Å; S967-R1059 WeakPolarHBondContact CA-O 3.4Å; S967-R1059 VanDerWaalsContact CB-O 3.3Å; S967-R1059 WeakPolarHBondContact CB-O 3.4Å; D968-R1059 PolarHBondContact N-O 2.88Å; D968-R1059 PolarHBondContact O-N 2.87Å; D968-R1059 IonicContact OD2-CZ 2.62Å; D968-R1059 IonicContact OD2-NH2 2.81Å; D968-R1059 PolarHBondContact OD2-NH2 3.22Å; V970-R1059 HydrophobicContact CG2-CB 3.65Å; R1059-E1093 WeakPolarHBondContact CD-O 3.33Å; R1059-E1093 WeakPolarHBondContact CG-O 3.46Å; R1059-E1093 IonicContact CZ-OE1 2.66Å; R1059-E1093 PolarHBondContact NE-O 3.37Å; R1059-E1093 VanDerWaalsContact NE-O 3.07Å; R1059-E1093 IonicContact NE-OE1 2.64Å; R1059-E1093 PolarHBondContact NE-OE1 2.87Å; R1059-E1093 IonicContact NH2-OE1 3.87Å; R1059-E1093 PolarHBondContact NH2-OE1 2.93Å; R1059-S1094 PolarHBondContact NH1-O 3.02Å; R1059-G1096 WeakPolarHBondContact CD-O 3.32Å
1060	I	96.2	Very high	91.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.2	-174.4	-60.2	168.1	0	0	0	110.3	Y965 F966 A1036 L1040 L1058 L1062 R1100 I1101 H1102	Y965-I1060 HydrophobicContact CD2-CG2 3.76Å; Y965-I1060 HydrophobicContact CE2-CB 4.39Å; Y965-I1060 HydrophobicContact CE2-CD1 4.04Å; Y965-I1060 HydrophobicContact CE2-CG1 4.1Å; Y965-I1060 HydrophobicContact CE2-CG2 3.4Å; F966-I1060 CarbonylContact O-C 3.57Å; F966-I1060 WeakPolarHBondContact O-CA 3.45Å; A1036-I1060 HydrophobicContact CB-CD1 4.49Å; A1036-I1060 HydrophobicContact CB-CG2 4.29Å; L1040-I1060 HydrophobicContact CB-CD1 4.18Å; L1058-I1060 HydrophobicContact CD2-CD1 3.95Å; L1058-I1060 HydrophobicContact CD2-CG1 4.02Å; L1058-I1060 HydrophobicContact CG-CD1 4.43Å; L1058-I1060 HydrophobicContact CG-CG1 4.04Å; I1060-L1062 HydrophobicContact CG2-CD2 3.86Å; I1060-L1062 HydrophobicContact CG2-CG 4.43Å; I1060-R1100 PolarHBondContact N-O 2.85Å; I1060-I1101 HydrophobicContact CB-CB 4.43Å; I1060-I1101 HydrophobicContact CB-CG1 4.04Å; I1060-I1101 HydrophobicContact CD1-CD1 4.48Å; I1060-I1101 HydrophobicContact CD1-CG1 3.79Å; I1060-I1101 HydrophobicContact CG1-CG1 4.49Å; I1060-I1101 HydrophobicContact CG2-CB 4.46Å; I1060-I1101 HydrophobicContact CG2-CG1 4.2Å; I1060-I1101 HydrophobicContact CG2-CG2 4.02Å; I1060-H1102 PolarHBondContact O-N 3.38Å
1061	G	96.2	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.5	173.2	0	0	0	0	0	113.4	F966 H1102	F966-G1061 PolarHBondContact N-O 2.55Å; F966-G1061 PolarHBondContact O-N 3.14Å; G1061-H1102 CarbonylContact C-O 3.6Å; G1061-H1102 WeakPolarHBondContact CA-O 3.4Å
1062	L	97.7	Very high	91.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128	-179.2	-50.5	-172.3	0	0	0	111.5	Y965 I1032 A1033 A1036 I1060 I1101 H1102 V1103 S1104 T1107	Y965-L1062 HydrophobicContact CD2-CD2 3.66Å; Y965-L1062 HydrophobicContact CG-CD2 4.21Å; I1032-L1062 HydrophobicContact CG2-CD1 4.23Å; I1032-L1062 HydrophobicContact CG2-CD2 3.57Å; I1032-L1062 HydrophobicContact CG2-CG 4.44Å; A1033-L1062 HydrophobicContact CB-CD1 4.45Å; A1036-L1062 HydrophobicContact CB-CD1 4.44Å; A1036-L1062 HydrophobicContact CB-CD2 4.43Å; I1060-L1062 HydrophobicContact CG2-CD2 3.86Å; I1060-L1062 HydrophobicContact CG2-CG 4.43Å; L1062-I1101 HydrophobicContact CD1-CG2 3.6Å; L1062-I1101 HydrophobicContact CG-CG2 3.75Å; L1062-H1102 PolarHBondContact N-O 3.13Å; L1062-V1103 HydrophobicContact CB-CG2 4.39Å; L1062-V1103 HydrophobicContact CD1-CG2 4.13Å; L1062-V1103 HydrophobicContact CG-CG2 4.42Å; L1062-S1104 PolarHBondContact O-N 3.26Å; L1062-S1104 VanDerWaalsContact O-N 3.09Å; L1062-T1107 HydrophobicContact CB-CG2 4.33Å
1063	H	97.2	Very high	91.2	Very high	15 Å²	15	30 Å²	30	7%	0.069	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.9	170.3	-177.1	54.7	0	0	0	112.5	T963 I964 T1088 A1089 M1092 S1104 T1106 T1107	T963-H1063 WeakPolarHBondContact CA-O 3.39Å; I964-H1063 PolarHBondContact N-O 3.21Å; I964-H1063 PolarHBondContact O-N 2.88Å; H1063-T1088 HydrophobicContact CB-CG2 4.43Å; H1063-T1088 WeakPolarHBondContact CD2-CB 3.39Å; H1063-T1088 VanDerWaalsContact CD2-CG2 3.44Å; H1063-T1088 WeakPolarHBondContact CD2-CG2 3.36Å; H1063-T1088 WeakPolarHBondContact NE2-CG2 3.07Å; H1063-A1089 HydrophobicContact CB-CB 3.86Å; H1063-M1092 HydrophobicContact CB-CG 4.18Å; H1063-S1104 WeakPolarHBondContact CA-OG 3.37Å; H1063-S1104 WeakPolarHBondContact ND1-CB 3.39Å; H1063-S1104 PolarHBondContact ND1-OG 2.85Å; H1063-T1106 PolarHBondContact CE1-OG1 3.22Å; H1063-T1106 PolarHBondContact ND1-OG1 3.07Å; H1063-T1106 VanDerWaalsContact ND1-OG1 3.15Å; H1063-T1107 VanDerWaalsContact C-OG1 3.24Å; H1063-T1107 VanDerWaalsContact CA-OG1 3.24Å; H1063-T1107 WeakPolarHBondContact CA-OG1 3.39Å
1064	S	97.4	Very high	90.7	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.3	178.9	-49.8	0	0	0	0	111.6	V962 T963 T1106 T1107	V962-S1064 WeakPolarHBondContact O-CA 3.32Å; T963-S1064 PolarHBondContact OG1-OG 2.84Å; S1064-T1106 WeakPolarHBondContact O-CB 3.45Å; S1064-T1106 PolarHBondContact O-OG1 3.48Å; S1064-T1107 PolarHBondContact N-OG1 2.89Å; S1064-T1107 WeakPolarHBondContact OG-CA 3.44Å; S1064-T1107 WeakPolarHBondContact OG-CB 3.22Å; S1064-T1107 PolarHBondContact OG-OG1 2.99Å
1065	G	95.8	Very high	90.2	Very high	19 Å²	19	38.5 Å²	38.5	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	-173.1	-179.6	0	0	0	0	0	111.8	V962	V962-G1065 WeakPolarHBondContact CG2-O 3.28Å; V962-G1065 PolarHBondContact N-O 2.94Å; V962-G1065 PolarHBondContact O-N 3.46Å
1066	S	96	Very high	90	Very high	72 Å²	72	40.4 Å²	40.4	50%	0.503	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	151.6	-178.9	58.8	0	0	0	0	113.2	F959 D960 T1085	F959-S1066 CarbonylContact O-C 3.6Å; F959-S1066 WeakPolarHBondContact O-CA 3.49Å; F959-S1066 WeakPolarHBondContact O-CB 3.47Å; D960-S1066 VanDerWaalsContact O-CA 3.29Å; D960-S1066 WeakPolarHBondContact O-CA 3.24Å; D960-S1066 VanDerWaalsContact O-CB 3.23Å; D960-S1066 WeakPolarHBondContact O-CB 3.17Å; D960-S1066 PolarHBondContact O-N 2.79Å; S1066-T1085 PolarHBondContact N-OG1 2.77Å; S1066-T1085 VanDerWaalsContact O-CB 3.27Å; S1066-T1085 WeakPolarHBondContact O-CB 3.34Å; S1066-T1085 PolarHBondContact O-OG1 2.88Å
1067	C	95.4	Very high	89.6	Confident	6 Å²	6	41.9 Å²	41.9	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	168.1	171.3	76.3	0	0	0	0	112.1	F959 V962 L1020	F959-C1067 PolarHBondContact N-O 3.24Å; F959-C1067 PolarHBondContact O-N 3.2Å; V962-C1067 HydrophobicContact CG2-CB 4.34Å; L1020-C1067 WeakPolarHBondContact CD2-SG 3.37Å
1068	V	94.2	Very high	89.3	Confident	62 Å²	62	44.8 Å²	44.8	38%	0.376	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.4	169.4	178.3	0	0	0	0	108.1	P956 E957 A958 L1081 F1082	P956-V1068 HydrophobicContact CB-CG1 4.12Å; E957-V1068 CarbonylContact O-C 3.58Å; E957-V1068 WeakPolarHBondContact O-CA 3.45Å; A958-V1068 HydrophobicContact CB-CG2 4.3Å; V1068-L1081 CarbonylContact O-C 3.58Å; V1068-F1082 PolarHBondContact N-O 2.84Å; V1068-F1082 PolarHBondContact O-N 2.98Å
1069	A	93.2	Very high	89.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.7	176.5	0	0	0	0	0	111.4	P956 E957 F959 L1020 Y1079 C1080 L1081	P956-A1069 CarbonylContact C-O 3.53Å; P956-A1069 WeakPolarHBondContact CA-O 3.3Å; E957-A1069 PolarHBondContact N-O 2.85Å; E957-A1069 PolarHBondContact O-N 2.86Å; F959-A1069 HydrophobicContact CD2-CB 4.25Å; F959-A1069 HydrophobicContact CE2-CB 3.97Å; L1020-A1069 HydrophobicContact CD1-CB 4.4Å; L1020-A1069 HydrophobicContact CD2-CB 4.14Å; A1069-Y1079 HydrophobicContact CB-CE1 4.03Å; A1069-Y1079 HydrophobicContact CB-CE2 4.16Å; A1069-C1080 VanDerWaalsContact CA-O 3.28Å; A1069-C1080 WeakPolarHBondContact CA-O 3.35Å; A1069-L1081 HydrophobicContact CB-CD1 4.4Å; A1069-L1081 HydrophobicContact CB-CG 4.3Å
1070	G	90.1	Very high	89.1	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	163.2	-179.4	0	0	0	0	0	114	C1080	G1070-C1080 PolarHBondContact N-O 1.82Å; G1070-C1080 PolarHBondContact O-N 3.21Å
1071	V	88.2	Confident	88.9	Confident	35 Å²	35	45.2 Å²	45.2	21%	0.212	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.8	178.4	-179	0	0	0	0	110.6	V944 V954 P1077 R1078 Y1079	V944-V1071 HydrophobicContact CG1-CG2 3.32Å; V954-V1071 HydrophobicContact CB-CB 4.36Å; V954-V1071 HydrophobicContact CB-CG2 3.94Å; V954-V1071 HydrophobicContact CG1-CG2 3.91Å; V954-V1071 HydrophobicContact CG2-CG2 4.23Å; V1071-P1077 HydrophobicContact CG1-CB 3.51Å; V1071-R1078 CarbonylContact C-O 3.52Å; V1071-R1078 VanDerWaalsContact CA-O 3.29Å; V1071-R1078 WeakPolarHBondContact CA-O 3.44Å; V1071-Y1079 HydrophobicContact CG2-CD2 4.04Å
1072	V	84.7	Confident	88.7	Confident	76 Å²	76	50.6 Å²	50.6	46%	0.461	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.7	177.4	-175.7	0	0	0	0	110.4	P1077 R1078 C1080 F1082	V1072-P1077 WeakPolarHBondContact O-CA 3.48Å; V1072-R1078 PolarHBondContact N-O 3.49Å; V1072-R1078 PolarHBondContact O-N 2.97Å; V1072-C1080 HydrophobicContact CG2-CB 4.25Å; V1072-F1082 HydrophobicContact CG2-CE2 4.14Å; V1072-F1082 HydrophobicContact CG2-CZ 3.96Å
1073	G	77.5	Confident	88.4	Confident	45 Å²	45	52.1 Å²	52.1	46%	0.464	31%	0.306	S	S	.	.			trans	90.2	146.8	178.3	0	0	0	0	0	114.2	P1077	G1073-P1077 WeakPolarHBondContact O-CA 3.46Å
1074	L	73.8	Confident	88.2	Confident	176 Å²	176	55.2 Å²	55.2	92%	0.921	32%	0.323	S	S	*	.	S	Bend	trans	-98.3	-36.1	177	-64.8	175.8	0	0	0	112.8
1075	T	73.3	Confident	88.1	Confident	150 Å²	150	55.5 Å²	55.5	92%	0.92	32%	0.324	S	S	*	.	S	Bend	trans	-82.5	-30.5	-177	-45.4	0	0	0	0	113
1076	M	79.6	Confident	87.9	Confident	107 Å²	107	55.7 Å²	55.7	53%	0.527	32%	0.322	S	S	.	.	S	Bend	trans	-142.4	78.4	177	178.5	179.2	52.7	0	0	106.7	R1078	M1076-R1078 PolarHBondContact O-N 2.87Å
1077	P	79.8	Confident	87.8	Confident	33 Å²	33	56.2 Å²	56.2	21%	0.214	32%	0.319	C	S	.	.			trans	-64.2	131.8	-179.1	26.4	-33.7	0	0	0	110.1	L940 V1071 V1072 G1073	L940-P1077 HydrophobicContact CD1-CB 4.25Å; L940-P1077 HydrophobicContact CD1-CG 4.19Å; V1071-P1077 HydrophobicContact CG1-CB 3.51Å; V1072-P1077 WeakPolarHBondContact O-CA 3.48Å; G1073-P1077 WeakPolarHBondContact O-CA 3.46Å
1078	R	84.7	Confident	87.7	Confident	105 Å²	105	56.1 Å²	56.1	40%	0.396	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.7	173.3	-61.9	-175.4	-174.7	-169.2	0.9	110.1	E1008 V1071 V1072 M1076 C1080	E1008-R1078 IonicContact OE2-NH1 2.75Å; E1008-R1078 PolarHBondContact OE2-NH1 2.71Å; V1071-R1078 CarbonylContact C-O 3.52Å; V1071-R1078 VanDerWaalsContact CA-O 3.29Å; V1071-R1078 WeakPolarHBondContact CA-O 3.44Å; V1072-R1078 PolarHBondContact N-O 3.49Å; V1072-R1078 PolarHBondContact O-N 2.97Å; M1076-R1078 PolarHBondContact O-N 2.87Å; R1078-C1080 PolarHBondContact O-N 2.88Å
1079	Y	89.3	Confident	87.7	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	92.7	174.3	-168.4	-118.5	0	0	0	109.6	P941 V944 Y1005 L1020 P1021 A1069 V1071	P941-Y1079 HydrophobicContact CG-CD1 3.47Å; P941-Y1079 VanDerWaalsContact CG-CD1 3.47Å; P941-Y1079 HydrophobicContact CG-CE1 3.91Å; P941-Y1079 HydrophobicContact CG-CG 3.89Å; V944-Y1079 HydrophobicContact CG1-CD2 4.33Å; V944-Y1079 HydrophobicContact CG2-CD2 3.94Å; V944-Y1079 HydrophobicContact CG2-CE2 3.76Å; V944-Y1079 HydrophobicContact CG2-CG 4.47Å; Y1005-Y1079 HydrophobicContact CD1-CD1 4.42Å; Y1005-Y1079 AromaticContact CE1-CD1 3.94Å; Y1005-Y1079 HydrophobicContact CE1-CD1 3.94Å; L1020-Y1079 HydrophobicContact CD1-CD1 4.45Å; L1020-Y1079 HydrophobicContact CD1-CE1 3.67Å; P1021-Y1079 HydrophobicContact CB-CE1 4.22Å; A1069-Y1079 HydrophobicContact CB-CE1 4.03Å; A1069-Y1079 HydrophobicContact CB-CE2 4.16Å; V1071-Y1079 HydrophobicContact CG2-CD2 4.04Å
1080	C	90.6	Very high	87.7	Confident	19 Å²	19	55.4 Å²	55.4	13%	0.128	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.6	-171.2	-59.5	0	0	0	0	111.9	A1069 G1070 V1072 R1078 F1082	A1069-C1080 VanDerWaalsContact CA-O 3.28Å; A1069-C1080 WeakPolarHBondContact CA-O 3.35Å; G1070-C1080 PolarHBondContact N-O 1.82Å; G1070-C1080 PolarHBondContact O-N 3.21Å; V1072-C1080 HydrophobicContact CG2-CB 4.25Å; R1078-C1080 PolarHBondContact O-N 2.88Å; C1080-F1082 HydrophobicContact CB-CE2 3.65Å; C1080-F1082 HydrophobicContact CB-CZ 3.59Å
1081	L	92.6	Very high	87.9	Confident	15 Å²	15	57.9 Å²	57.9	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.6	176	-77.9	67.9	0	0	0	111.2	I964 V1007 M1015 V1017 L1020 V1068 A1069 V1086	I964-L1081 HydrophobicContact CD1-CD2 4Å; I964-L1081 HydrophobicContact CG1-CD2 4.37Å; V1007-L1081 HydrophobicContact CB-CD1 4.4Å; V1007-L1081 HydrophobicContact CG1-CD1 3.73Å; V1007-L1081 HydrophobicContact CG2-CD1 3.7Å; V1007-L1081 HydrophobicContact CG2-CD2 4.33Å; M1015-L1081 HydrophobicContact CE-CB 4.27Å; M1015-L1081 HydrophobicContact CE-CD2 4.07Å; V1017-L1081 HydrophobicContact CB-CD2 4.05Å; V1017-L1081 HydrophobicContact CG1-CD2 4.07Å; V1017-L1081 HydrophobicContact CG2-CD2 3.88Å; L1020-L1081 HydrophobicContact CD1-CD1 4.17Å; L1020-L1081 HydrophobicContact CD2-CD1 4.4Å; L1020-L1081 HydrophobicContact CD2-CD2 3.7Å; L1020-L1081 HydrophobicContact CD2-CG 3.92Å; V1068-L1081 CarbonylContact O-C 3.58Å; A1069-L1081 HydrophobicContact CB-CD1 4.4Å; A1069-L1081 HydrophobicContact CB-CG 4.3Å; L1081-V1086 HydrophobicContact CB-CG2 3.95Å
1082	F	91.7	Very high	88.2	Confident	113 Å²	113	56.3 Å²	56.3	50%	0.496	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.8	-178.3	-56.4	-81.1	0	0	0	111	V1068 V1072 C1080	V1068-F1082 PolarHBondContact N-O 2.84Å; V1068-F1082 PolarHBondContact O-N 2.98Å; V1072-F1082 HydrophobicContact CG2-CE2 4.14Å; V1072-F1082 HydrophobicContact CG2-CZ 3.96Å; C1080-F1082 HydrophobicContact CB-CE2 3.65Å; C1080-F1082 HydrophobicContact CB-CZ 3.59Å
1083	G	91.9	Very high	88.6	Confident	33 Å²	33	53.3 Å²	53.3	34%	0.34	30%	0.296	S	S	.	.	S	Bend	trans	150.2	172.7	174.2	0	0	0	0	0	113.9	T1085 V1086 N1087	G1083-T1085 PolarHBondContact O-N 3.19Å; G1083-V1086 PolarHBondContact O-N 3.03Å; G1083-N1087 PolarHBondContact O-ND2 3.22Å
1084	D	92.5	Very high	89.2	Confident	79 Å²	79	53.6 Å²	53.6	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-25	174.2	-179.4	61.4	0	0	0	112.5	V1086 N1087 T1088 R1091 K1130	D1084-V1086 PolarHBondContact O-N 3.07Å; D1084-N1087 PolarHBondContact O-N 2.81Å; D1084-T1088 WeakPolarHBondContact O-CB 3.29Å; D1084-T1088 PolarHBondContact O-N 2.94Å; D1084-T1088 PolarHBondContact O-OG1 3.06Å; D1084-T1088 PolarHBondContact OD2-OG1 3.22Å; D1084-R1091 IonicContact OD1-NH1 2.83Å; D1084-K1130 WeakPolarHBondContact OD2-CE 3.2Å; D1084-K1130 IonicContact OD2-NZ 2.68Å; D1084-K1130 PolarHBondContact OD2-NZ 3.37Å
1085	T	94.4	Very high	90	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-43	174.4	-54.3	0	0	0	0	111.6	I964 S1066 G1083 T1088 A1089	I964-T1085 HydrophobicContact CD1-CG2 4Å; I964-T1085 HydrophobicContact CG1-CG2 4.43Å; S1066-T1085 PolarHBondContact N-OG1 2.77Å; S1066-T1085 VanDerWaalsContact O-CB 3.27Å; S1066-T1085 WeakPolarHBondContact O-CB 3.34Å; S1066-T1085 PolarHBondContact O-OG1 2.88Å; G1083-T1085 PolarHBondContact O-N 3.19Å; T1085-T1088 PolarHBondContact O-N 3.07Å; T1085-A1089 WeakPolarHBondContact O-CB 3.23Å; T1085-A1089 PolarHBondContact O-N 3.13Å
1086	V	93.4	Very high	90.8	Very high	23 Å²	23	39.1 Å²	39.1	14%	0.139	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-50.2	175.3	-173.2	0	0	0	0	110.5	I964 F966 M1015 L1081 G1083 D1084 T1088 A1089 S1090	I964-V1086 HydrophobicContact CD1-CB 4.32Å; I964-V1086 HydrophobicContact CD1-CG2 3.74Å; F966-V1086 HydrophobicContact CE2-CG1 4.07Å; F966-V1086 HydrophobicContact CZ-CG1 3.91Å; M1015-V1086 HydrophobicContact CE-CG1 3.93Å; L1081-V1086 HydrophobicContact CB-CG2 3.95Å; G1083-V1086 PolarHBondContact O-N 3.03Å; D1084-V1086 PolarHBondContact O-N 3.07Å; V1086-T1088 VanDerWaalsContact C-N 3.29Å; V1086-T1088 PolarHBondContact O-N 3.34Å; V1086-A1089 PolarHBondContact O-N 3Å; V1086-S1090 PolarHBondContact O-N 3.41Å
1087	N	92.8	Very high	91.3	Very high	84 Å²	84	34.9 Å²	34.9	45%	0.449	19%	0.19	S	C	.	.	H	α-helix	trans	-61.8	-35.3	178.9	-71.5	-68.4	0	0	0	112.7	G1083 D1084 R1091	G1083-N1087 PolarHBondContact O-ND2 3.22Å; D1084-N1087 PolarHBondContact O-N 2.81Å; N1087-R1091 WeakPolarHBondContact O-CD 3.34Å; N1087-R1091 WeakPolarHBondContact O-CG 3.31Å; N1087-R1091 PolarHBondContact O-N 3.01Å
1088	T	93.7	Very high	91.8	Very high	3 Å²	3	34 Å²	34	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-79	-35.8	179.6	-58.5	0	0	0	0	111.6	H1063 D1084 T1085 V1086 R1091 M1092 K1130	H1063-T1088 HydrophobicContact CB-CG2 4.43Å; H1063-T1088 WeakPolarHBondContact CD2-CB 3.39Å; H1063-T1088 VanDerWaalsContact CD2-CG2 3.44Å; H1063-T1088 WeakPolarHBondContact CD2-CG2 3.36Å; H1063-T1088 WeakPolarHBondContact NE2-CG2 3.07Å; D1084-T1088 WeakPolarHBondContact O-CB 3.29Å; D1084-T1088 PolarHBondContact O-N 2.94Å; D1084-T1088 PolarHBondContact O-OG1 3.06Å; D1084-T1088 PolarHBondContact OD2-OG1 3.22Å; T1085-T1088 PolarHBondContact O-N 3.07Å; V1086-T1088 VanDerWaalsContact C-N 3.29Å; V1086-T1088 PolarHBondContact O-N 3.34Å; T1088-R1091 CarbonylContact O-C 3.54Å; T1088-R1091 PolarHBondContact O-N 2.72Å; T1088-M1092 WeakPolarHBondContact O-CG 3.24Å; T1088-M1092 PolarHBondContact O-N 2.66Å; T1088-K1130 HydrophobicContact CG2-CD 4.27Å; T1088-K1130 WeakPolarHBondContact OG1-CE 3.39Å; T1088-K1130 PolarHBondContact OG1-NZ 3.32Å
1089	A	94.7	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-45.9	172.9	0	0	0	0	0	111.4	I964 F966 H1063 T1085 V1086 R1091 M1092 E1093	I964-A1089 HydrophobicContact CB-CB 3.83Å; I964-A1089 HydrophobicContact CG2-CB 3.84Å; F966-A1089 HydrophobicContact CD2-CB 3.59Å; F966-A1089 HydrophobicContact CE2-CB 3.88Å; H1063-A1089 HydrophobicContact CB-CB 3.86Å; T1085-A1089 WeakPolarHBondContact O-CB 3.23Å; T1085-A1089 PolarHBondContact O-N 3.13Å; V1086-A1089 PolarHBondContact O-N 3Å; A1089-R1091 VanDerWaalsContact C-N 3.28Å; A1089-R1091 PolarHBondContact O-N 2.65Å; A1089-M1092 WeakPolarHBondContact O-CB 3.24Å; A1089-M1092 PolarHBondContact O-N 2.55Å; A1089-E1093 PolarHBondContact O-N 3.4Å
1090	S	93.2	Very high	92.4	Very high	47 Å²	47	31.4 Å²	31.4	33%	0.329	18%	0.176	S	C	.	.	H	α-helix	trans	-59.7	-35.6	172.2	167.5	0	0	0	0	112.5	V1086 E1093 S1094	V1086-S1090 PolarHBondContact O-N 3.41Å; S1090-E1093 PolarHBondContact O-N 2.89Å; S1090-S1094 WeakPolarHBondContact O-CB 3.45Å; S1090-S1094 PolarHBondContact O-N 2.64Å; S1090-S1094 PolarHBondContact O-OG 3.06Å
1091	R	92.8	Very high	92.7	Very high	56 Å²	56	30.5 Å²	30.5	21%	0.211	17%	0.17	C	C	.	.	H	α-helix	trans	-71	-31.3	172.9	-69.9	165.2	-168.1	151.8	2.5	113.5	D1084 N1087 T1088 A1089 E1093 T1095 L1127 K1128	D1084-R1091 IonicContact OD1-NH1 2.83Å; N1087-R1091 WeakPolarHBondContact O-CD 3.34Å; N1087-R1091 WeakPolarHBondContact O-CG 3.31Å; N1087-R1091 PolarHBondContact O-N 3.01Å; T1088-R1091 CarbonylContact O-C 3.54Å; T1088-R1091 PolarHBondContact O-N 2.72Å; A1089-R1091 VanDerWaalsContact C-N 3.28Å; A1089-R1091 PolarHBondContact O-N 2.65Å; R1091-E1093 VanDerWaalsContact C-N 3.33Å; R1091-T1095 WeakPolarHBondContact O-CB 3.27Å; R1091-T1095 WeakPolarHBondContact O-CG2 3.41Å; R1091-T1095 PolarHBondContact O-N 3.19Å; R1091-T1095 VanDerWaalsContact O-N 3.13Å; R1091-T1095 PolarHBondContact O-OG1 3.45Å; R1091-L1127 HydrophobicContact CB-CD2 4.27Å; R1091-K1128 PolarHBondContact NE-O 2.82Å; R1091-K1128 PolarHBondContact NH1-O 3.4Å; R1091-K1128 VanDerWaalsContact NH1-O 3.09Å
1092	M	94.6	Very high	92.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-41.8	170.8	-67.3	-68.2	92.4	0	0	110.4	H1063 T1088 A1089 G1096 H1102 L1127	H1063-M1092 HydrophobicContact CB-CG 4.18Å; T1088-M1092 WeakPolarHBondContact O-CG 3.24Å; T1088-M1092 PolarHBondContact O-N 2.66Å; A1089-M1092 WeakPolarHBondContact O-CB 3.24Å; A1089-M1092 PolarHBondContact O-N 2.55Å; M1092-G1096 PolarHBondContact O-N 3.35Å; M1092-H1102 WeakPolarHBondContact CA-CE1 3.45Å; M1092-H1102 WeakPolarHBondContact O-CB 3.19Å; M1092-H1102 CovalentContact O-CE1 1.82Å; M1092-H1102 PolarHBondContact O-CE1 3.15Å; M1092-H1102 PolarHBondContact O-ND1 3.46Å; M1092-L1127 HydrophobicContact CE-CD1 3.36Å; M1092-L1127 HydrophobicContact CE-CD2 3.38Å; M1092-L1127 HydrophobicContact CE-CG 3.98Å
1093	E	94.1	Very high	93.1	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.061	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-58.4	175.7	174.7	-70.8	117.2	0	0	109.2	F966 D968 R1059 A1089 S1090 R1091 T1095 G1096	F966-E1093 HydrophobicContact CB-CB 3.65Å; F966-E1093 HydrophobicContact CB-CG 3.97Å; D968-E1093 VanDerWaalsContact CB-CD 3.44Å; D968-E1093 HydrophobicContact CB-CG 4.03Å; D968-E1093 WeakPolarHBondContact CB-OE1 3.29Å; R1059-E1093 WeakPolarHBondContact CD-O 3.33Å; R1059-E1093 WeakPolarHBondContact CG-O 3.46Å; R1059-E1093 IonicContact CZ-OE1 2.66Å; R1059-E1093 PolarHBondContact NE-O 3.37Å; R1059-E1093 VanDerWaalsContact NE-O 3.07Å; R1059-E1093 IonicContact NE-OE1 2.64Å; R1059-E1093 PolarHBondContact NE-OE1 2.87Å; R1059-E1093 IonicContact NH2-OE1 3.87Å; R1059-E1093 PolarHBondContact NH2-OE1 2.93Å; A1089-E1093 PolarHBondContact O-N 3.4Å; S1090-E1093 PolarHBondContact O-N 2.89Å; R1091-E1093 VanDerWaalsContact C-N 3.33Å; E1093-T1095 PolarHBondContact O-N 3.15Å; E1093-T1095 VanDerWaalsContact O-N 3.07Å; E1093-G1096 WeakPolarHBondContact O-CA 3.34Å; E1093-G1096 PolarHBondContact O-N 3.19Å
1094	S	90.2	Very high	93.3	Very high	50 Å²	50	23 Å²	23	35%	0.35	13%	0.127	S	C	.	.	H	α-helix	trans	-65.5	-22.6	-170.3	72.1	0	0	0	0	114.3	R1059 S1090	R1059-S1094 PolarHBondContact NH1-O 3.02Å; S1090-S1094 WeakPolarHBondContact O-CB 3.45Å; S1090-S1094 PolarHBondContact O-N 2.64Å; S1090-S1094 PolarHBondContact O-OG 3.06Å
1095	T	90.7	Very high	93.4	Very high	23 Å²	23	21.4 Å²	21.4	14%	0.141	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.8	173.7	61.7	0	0	0	0	113.8	R1091 E1093 H1102 R1122 V1125 L1127	R1091-T1095 WeakPolarHBondContact O-CB 3.27Å; R1091-T1095 WeakPolarHBondContact O-CG2 3.41Å; R1091-T1095 PolarHBondContact O-N 3.19Å; R1091-T1095 VanDerWaalsContact O-N 3.13Å; R1091-T1095 PolarHBondContact O-OG1 3.45Å; E1093-T1095 PolarHBondContact O-N 3.15Å; E1093-T1095 VanDerWaalsContact O-N 3.07Å; T1095-H1102 PolarHBondContact OG1-CE1 3.5Å; T1095-H1102 PolarHBondContact OG1-ND1 3.17Å; T1095-H1102 PolarHBondContact OG1-NE2 3.17Å; T1095-R1122 VanDerWaalsContact O-CZ 3.23Å; T1095-R1122 PolarHBondContact O-NH1 3.31Å; T1095-R1122 PolarHBondContact O-NH2 3.43Å; T1095-V1125 HydrophobicContact CG2-CG1 4.14Å; T1095-L1127 HydrophobicContact CG2-CD2 4.21Å
1096	G	89.9	Confident	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-71.8	-166.2	175.2	0	0	0	0	0	113.1	R1059 M1092 E1093 H1102	R1059-G1096 WeakPolarHBondContact CD-O 3.32Å; M1092-G1096 PolarHBondContact O-N 3.35Å; E1093-G1096 WeakPolarHBondContact O-CA 3.34Å; E1093-G1096 PolarHBondContact O-N 3.19Å; G1096-H1102 PolarHBondContact N-CE1 2.93Å
1097	S	90.3	Very high	93.6	Very high	18 Å²	18	23 Å²	23	13%	0.126	13%	0.131	C	C	.	.			trans	-141.5	159.8	-179.5	-52.1	0	0	0	0	111.2	F1099 R1100	S1097-F1099 PolarHBondContact O-N 2.87Å; S1097-R1100 PolarHBondContact O-N 3.05Å
1098	A	90.4	Very high	93.7	Very high	13 Å²	13	21.3 Å²	21.3	11%	0.107	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	137.3	179.7	0	0	0	0	0	112.5	V970 R1057 R1100 P1152	V970-A1098 HydrophobicContact CB-CB 4.45Å; V970-A1098 HydrophobicContact CG1-CB 4.42Å; V970-A1098 HydrophobicContact CG2-CB 4.09Å; R1057-A1098 HydrophobicContact CB-CB 4.21Å; A1098-R1100 PolarHBondContact O-N 3.08Å; A1098-P1152 HydrophobicContact CB-CG 3.94Å
1099	F	92.2	Very high	93.9	Very high	22 Å²	22	24.2 Å²	24.2	10%	0.096	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	30.8	-176.3	-64.9	-41.3	0	0	0	114.9	L1040 L1056 R1057 L1058 S1097 P1149 P1151	L1040-F1099 HydrophobicContact CD1-CB 4.23Å; L1040-F1099 HydrophobicContact CD1-CD1 3.87Å; L1056-F1099 VanDerWaalsContact O-CE1 3.28Å; L1056-F1099 WeakPolarHBondContact O-CE1 3.05Å; L1056-F1099 WeakPolarHBondContact O-CZ 2.97Å; R1057-F1099 HydrophobicContact CB-CE1 4.44Å; R1057-F1099 HydrophobicContact CB-CZ 4.41Å; R1057-F1099 HydrophobicContact CG-CD2 4.44Å; R1057-F1099 HydrophobicContact CG-CE1 4.32Å; R1057-F1099 HydrophobicContact CG-CE2 3.87Å; R1057-F1099 HydrophobicContact CG-CZ 3.8Å; L1058-F1099 WeakPolarHBondContact O-CA 3.39Å; L1058-F1099 PolarHBondContact O-N 3.34Å; S1097-F1099 PolarHBondContact O-N 2.87Å; F1099-P1149 HydrophobicContact CB-CG 4.14Å; F1099-P1149 HydrophobicContact CD1-CB 4.11Å; F1099-P1149 HydrophobicContact CD1-CG 3.61Å; F1099-P1149 HydrophobicContact CD2-CB 4.02Å; F1099-P1149 HydrophobicContact CD2-CG 4.31Å; F1099-P1149 HydrophobicContact CE1-CB 4.18Å; F1099-P1149 HydrophobicContact CE1-CG 3.98Å; F1099-P1149 HydrophobicContact CE2-CB 4.1Å; F1099-P1149 HydrophobicContact CG-CB 4.03Å; F1099-P1149 HydrophobicContact CG-CG 3.81Å; F1099-P1149 HydrophobicContact CZ-CB 4.18Å; F1099-P1149 HydrophobicContact CZ-CG 4.48Å; F1099-P1151 HydrophobicContact CB-CB 3.88Å
1100	R	93.5	Very high	93.9	Very high	38 Å²	38	24.5 Å²	24.5	14%	0.143	14%	0.142	C	C	.	.			trans	-132.2	148	176.3	-62.5	-176.6	176.1	84.3	-2.1	112.1	I1060 S1097 A1098 W1137 P1151 P1152	I1060-R1100 PolarHBondContact N-O 2.85Å; S1097-R1100 PolarHBondContact O-N 3.05Å; A1098-R1100 PolarHBondContact O-N 3.08Å; R1100-W1137 HydrophobicContact CB-CD2 4.29Å; R1100-W1137 HydrophobicContact CB-CE3 3.56Å; R1100-W1137 HydrophobicContact CB-CH2 4.16Å; R1100-W1137 HydrophobicContact CB-CZ3 3.47Å; R1100-W1137 VanDerWaalsContact CB-CZ3 3.47Å; R1100-W1137 HydrophobicContact CG-CE3 4.39Å; R1100-W1137 HydrophobicContact CG-CZ3 4.43Å; R1100-P1151 HydrophobicContact CG-CB 3.92Å; R1100-P1151 HydrophobicContact CG-CG 4.43Å; R1100-P1152 VanDerWaalsContact CZ-O 3.29Å; R1100-P1152 PolarHBondContact NH1-O 3.25Å; R1100-P1152 PolarHBondContact NH2-O 3.44Å
1101	I	96.4	Very high	94.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	106.3	175.8	-60.3	161.9	0	0	0	108.2	A1036 L1037 L1040 I1060 L1062 V1103 W1137 L1138	A1036-I1101 HydrophobicContact CB-CD1 3.84Å; A1036-I1101 HydrophobicContact CB-CG1 4.28Å; A1036-I1101 HydrophobicContact CB-CG2 4.35Å; L1037-I1101 HydrophobicContact CD2-CD1 3.72Å; L1037-I1101 HydrophobicContact CG-CD1 4Å; L1040-I1101 HydrophobicContact CD2-CD1 4.06Å; L1040-I1101 HydrophobicContact CD2-CG1 4.13Å; I1060-I1101 HydrophobicContact CB-CB 4.43Å; I1060-I1101 HydrophobicContact CB-CG1 4.04Å; I1060-I1101 HydrophobicContact CD1-CD1 4.48Å; I1060-I1101 HydrophobicContact CD1-CG1 3.79Å; I1060-I1101 HydrophobicContact CG1-CG1 4.49Å; I1060-I1101 HydrophobicContact CG2-CB 4.46Å; I1060-I1101 HydrophobicContact CG2-CG1 4.2Å; I1060-I1101 HydrophobicContact CG2-CG2 4.02Å; L1062-I1101 HydrophobicContact CD1-CG2 3.6Å; L1062-I1101 HydrophobicContact CG-CG2 3.75Å; I1101-V1103 HydrophobicContact CG2-CG2 3.98Å; I1101-W1137 WeakPolarHBondContact O-CA 3.37Å; I1101-L1138 HydrophobicContact CB-CB 4.09Å; I1101-L1138 HydrophobicContact CD1-CD2 4.19Å; I1101-L1138 HydrophobicContact CG2-CB 3.99Å; I1101-L1138 HydrophobicContact CG2-CD2 4.19Å; I1101-L1138 PolarHBondContact O-N 3.15Å
1102	H	96.4	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.5	-180	-166.4	-153.1	0	0	0	110.3	I1060 G1061 L1062 M1092 T1095 G1096 R1122 W1137	I1060-H1102 PolarHBondContact O-N 3.38Å; G1061-H1102 CarbonylContact C-O 3.6Å; G1061-H1102 WeakPolarHBondContact CA-O 3.4Å; L1062-H1102 PolarHBondContact N-O 3.13Å; M1092-H1102 WeakPolarHBondContact CA-CE1 3.45Å; M1092-H1102 WeakPolarHBondContact O-CB 3.19Å; M1092-H1102 CovalentContact O-CE1 1.82Å; M1092-H1102 PolarHBondContact O-CE1 3.15Å; M1092-H1102 PolarHBondContact O-ND1 3.46Å; T1095-H1102 PolarHBondContact OG1-CE1 3.5Å; T1095-H1102 PolarHBondContact OG1-ND1 3.17Å; T1095-H1102 PolarHBondContact OG1-NE2 3.17Å; G1096-H1102 PolarHBondContact N-CE1 2.93Å; H1102-R1122 PolarHBondContact NE2-NH1 3.18Å; H1102-R1122 VanDerWaalsContact NE2-NH1 3.13Å; H1102-W1137 HydrophobicContact CB-CE3 4.12Å; H1102-W1137 HydrophobicContact CB-CH2 4.48Å; H1102-W1137 HydrophobicContact CB-CZ3 3.64Å
1103	V	97	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	-170.1	-173.8	0	0	0	0	110.9	L1062 I1101 T1107 K1108 L1111 L1119 F1136 L1138	L1062-V1103 HydrophobicContact CB-CG2 4.39Å; L1062-V1103 HydrophobicContact CD1-CG2 4.13Å; L1062-V1103 HydrophobicContact CG-CG2 4.42Å; I1101-V1103 HydrophobicContact CG2-CG2 3.98Å; V1103-T1107 HydrophobicContact CG1-CG2 3.73Å; V1103-K1108 HydrophobicContact CG1-CB 4.38Å; V1103-L1111 HydrophobicContact CG1-CD1 4.34Å; V1103-L1119 HydrophobicContact CB-CD2 4Å; V1103-L1119 HydrophobicContact CG1-CD2 3.88Å; V1103-L1119 HydrophobicContact CG2-CD2 4.15Å; V1103-F1136 HydrophobicContact CB-CB 4.38Å; V1103-F1136 PolarHBondContact N-O 2.98Å; V1103-F1136 PolarHBondContact O-N 3.1Å; V1103-L1138 HydrophobicContact CG2-CB 3.77Å
1104	S	95.7	Very high	94.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	18%	0.177	C	C	.	.			trans	-72	160.2	176.4	75.8	0	0	0	0	113.5	L1062 H1063 T1106 T1107 K1108	L1062-S1104 PolarHBondContact O-N 3.26Å; L1062-S1104 VanDerWaalsContact O-N 3.09Å; H1063-S1104 WeakPolarHBondContact CA-OG 3.37Å; H1063-S1104 WeakPolarHBondContact ND1-CB 3.39Å; H1063-S1104 PolarHBondContact ND1-OG 2.85Å; S1104-T1106 VanDerWaalsContact C-N 3.32Å; S1104-T1106 PolarHBondContact O-N 2.96Å; S1104-T1106 PolarHBondContact OG-OG1 2.85Å; S1104-T1107 PolarHBondContact O-N 3.08Å; S1104-T1107 PolarHBondContact OG-N 3.5Å; S1104-T1107 PolarHBondContact OG-OG1 3.02Å; S1104-K1108 WeakPolarHBondContact O-CB 3.37Å; S1104-K1108 PolarHBondContact O-N 3.31Å
1105	P	94.6	Very high	94.2	Very high	47 Å²	47	30.6 Å²	30.6	31%	0.305	18%	0.178	S	C	.	.	H	α-helix	trans	-54.7	-41.1	175	-29.7	36.8	0	0	0	114.8	K1108 S1109 V1133 D1134 F1136	P1105-K1108 PolarHBondContact O-N 3.26Å; P1105-S1109 PolarHBondContact O-N 2.78Å; P1105-S1109 PolarHBondContact O-OG 3.18Å; P1105-V1133 HydrophobicContact CG-CG1 3.78Å; P1105-D1134 VanDerWaalsContact CD-O 3.3Å; P1105-D1134 WeakPolarHBondContact CD-O 3.12Å; P1105-D1134 WeakPolarHBondContact CG-O 3.36Å; P1105-F1136 HydrophobicContact CG-CE2 4.47Å
1106	T	95.5	Very high	94.2	Very high	63 Å²	63	30.8 Å²	30.8	39%	0.387	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-47.9	-177.7	51.6	0	0	0	0	110.8	H1063 S1064 S1104 K1108 S1109 I1110	H1063-T1106 PolarHBondContact CE1-OG1 3.22Å; H1063-T1106 PolarHBondContact ND1-OG1 3.07Å; H1063-T1106 VanDerWaalsContact ND1-OG1 3.15Å; S1064-T1106 WeakPolarHBondContact O-CB 3.45Å; S1064-T1106 PolarHBondContact O-OG1 3.48Å; S1104-T1106 VanDerWaalsContact C-N 3.32Å; S1104-T1106 PolarHBondContact O-N 2.96Å; S1104-T1106 PolarHBondContact OG-OG1 2.85Å; T1106-K1108 VanDerWaalsContact C-N 3.32Å; T1106-K1108 PolarHBondContact O-N 3.23Å; T1106-S1109 PolarHBondContact O-N 3.29Å; T1106-I1110 WeakPolarHBondContact O-CG1 3.19Å; T1106-I1110 PolarHBondContact O-N 2.87Å
1107	T	96.8	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-42.2	173.8	-47.4	0	0	0	0	111.6	T963 A1029 L1062 H1063 S1064 V1103 S1104 S1109 I1110 L1111	T963-T1107 HydrophobicContact CG2-CG2 4.23Å; A1029-T1107 HydrophobicContact CB-CG2 4.39Å; L1062-T1107 HydrophobicContact CB-CG2 4.33Å; H1063-T1107 VanDerWaalsContact C-OG1 3.24Å; H1063-T1107 VanDerWaalsContact CA-OG1 3.24Å; H1063-T1107 WeakPolarHBondContact CA-OG1 3.39Å; S1064-T1107 PolarHBondContact N-OG1 2.89Å; S1064-T1107 WeakPolarHBondContact OG-CA 3.44Å; S1064-T1107 WeakPolarHBondContact OG-CB 3.22Å; S1064-T1107 PolarHBondContact OG-OG1 2.99Å; V1103-T1107 HydrophobicContact CG1-CG2 3.73Å; S1104-T1107 PolarHBondContact O-N 3.08Å; S1104-T1107 PolarHBondContact OG-N 3.5Å; S1104-T1107 PolarHBondContact OG-OG1 3.02Å; T1107-S1109 PolarHBondContact O-N 2.9Å; T1107-I1110 PolarHBondContact O-N 3.15Å; T1107-I1110 VanDerWaalsContact O-N 3.16Å; T1107-L1111 HydrophobicContact CG2-CD1 4.08Å; T1107-L1111 HydrophobicContact CG2-CG 4.38Å; T1107-L1111 WeakPolarHBondContact O-CG 3.35Å; T1107-L1111 PolarHBondContact O-N 3.41Å
1108	K	96.1	Very high	94.7	Very high	50 Å²	50	35.7 Å²	35.7	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-42.2	177.9	-173.1	-95.5	-179.5	-165.3	0	111.9	V1103 S1104 P1105 T1106 I1110 L1111 D1112 L1119 F1136	V1103-K1108 HydrophobicContact CG1-CB 4.38Å; S1104-K1108 WeakPolarHBondContact O-CB 3.37Å; S1104-K1108 PolarHBondContact O-N 3.31Å; P1105-K1108 PolarHBondContact O-N 3.26Å; T1106-K1108 VanDerWaalsContact C-N 3.32Å; T1106-K1108 PolarHBondContact O-N 3.23Å; K1108-I1110 VanDerWaalsContact C-N 3.31Å; K1108-I1110 PolarHBondContact O-N 3.26Å; K1108-L1111 PolarHBondContact O-N 2.9Å; K1108-D1112 WeakPolarHBondContact CD-OD2 3.34Å; K1108-D1112 VanDerWaalsContact CE-OD1 3.23Å; K1108-D1112 WeakPolarHBondContact CE-OD1 3.4Å; K1108-D1112 VanDerWaalsContact CE-OD2 3.27Å; K1108-D1112 WeakPolarHBondContact CE-OD2 3.45Å; K1108-D1112 IonicContact NZ-OD1 3.51Å; K1108-D1112 PolarHBondContact NZ-OD1 2.93Å; K1108-D1112 IonicContact NZ-OD2 4Å; K1108-D1112 PolarHBondContact NZ-OD2 2.86Å; K1108-D1112 PolarHBondContact O-N 3.43Å; K1108-L1119 HydrophobicContact CB-CD2 4.27Å; K1108-L1119 HydrophobicContact CG-CD2 3.94Å; K1108-F1136 HydrophobicContact CB-CD2 3.7Å; K1108-F1136 HydrophobicContact CB-CE2 4.01Å; K1108-F1136 HydrophobicContact CB-CG 4.24Å; K1108-F1136 HydrophobicContact CD-CD1 4.36Å; K1108-F1136 HydrophobicContact CD-CD2 4.22Å; K1108-F1136 HydrophobicContact CD-CE1 4.06Å; K1108-F1136 HydrophobicContact CD-CE2 3.92Å; K1108-F1136 HydrophobicContact CD-CG 4.45Å; K1108-F1136 HydrophobicContact CD-CZ 3.83Å; K1108-F1136 HydrophobicContact CG-CB 4.44Å; K1108-F1136 HydrophobicContact CG-CD1 4.07Å; K1108-F1136 HydrophobicContact CG-CD2 3.66Å; K1108-F1136 HydrophobicContact CG-CE1 4.26Å; K1108-F1136 HydrophobicContact CG-CE2 3.89Å; K1108-F1136 HydrophobicContact CG-CG 3.78Å; K1108-F1136 HydrophobicContact CG-CZ 4.18Å
1109	S	96.1	Very high	94.9	Very high	64 Å²	64	36.9 Å²	36.9	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-36.9	174.6	-66.4	0	0	0	0	113.2	P1105 T1106 T1107 I1113	P1105-S1109 PolarHBondContact O-N 2.78Å; P1105-S1109 PolarHBondContact O-OG 3.18Å; T1106-S1109 PolarHBondContact O-N 3.29Å; T1107-S1109 PolarHBondContact O-N 2.9Å; S1109-I1113 WeakPolarHBondContact O-CD1 3.26Å; S1109-I1113 VanDerWaalsContact O-CG1 3.27Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.44Å; S1109-I1113 PolarHBondContact O-N 2.95Å
1110	I	96.2	Very high	95	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-72.9	-41.4	177.5	-54	164.7	0	0	0	110.6	E961 Q1026 A1029 T1106 T1107 K1108 D1112 I1113 L1114	E961-I1110 WeakPolarHBondContact OE1-CD1 3.04Å; Q1026-I1110 HydrophobicContact CB-CG2 3.79Å; Q1026-I1110 HydrophobicContact CG-CG2 4.09Å; Q1026-I1110 WeakPolarHBondContact O-CG2 3.3Å; A1029-I1110 HydrophobicContact CB-CB 3.82Å; A1029-I1110 HydrophobicContact CB-CD1 4.3Å; A1029-I1110 HydrophobicContact CB-CG2 3.53Å; T1106-I1110 WeakPolarHBondContact O-CG1 3.19Å; T1106-I1110 PolarHBondContact O-N 2.87Å; T1107-I1110 PolarHBondContact O-N 3.15Å; T1107-I1110 VanDerWaalsContact O-N 3.16Å; K1108-I1110 VanDerWaalsContact C-N 3.31Å; K1108-I1110 PolarHBondContact O-N 3.26Å; I1110-D1112 VanDerWaalsContact C-N 3.34Å; I1110-D1112 PolarHBondContact O-N 2.61Å; I1110-I1113 PolarHBondContact O-N 2.84Å; I1110-I1113 VanDerWaalsContact O-N 3.13Å; I1110-L1114 HydrophobicContact CG2-CD1 4.38Å; I1110-L1114 HydrophobicContact CG2-CG 4.49Å; I1110-L1114 WeakPolarHBondContact O-CG 3.39Å; I1110-L1114 PolarHBondContact O-N 2.78Å
1111	L	96.5	Very high	95	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-35.3	176.3	-66.1	174.6	0	0	0	112.6	A1029 A1033 V1103 T1107 K1108 I1113 L1114 G1115 Y1117 L1119	A1029-L1111 HydrophobicContact CB-CD2 4.1Å; A1029-L1111 HydrophobicContact CB-CG 4.4Å; A1033-L1111 HydrophobicContact CB-CD1 4.08Å; A1033-L1111 HydrophobicContact CB-CD2 3.67Å; V1103-L1111 HydrophobicContact CG1-CD1 4.34Å; T1107-L1111 HydrophobicContact CG2-CD1 4.08Å; T1107-L1111 HydrophobicContact CG2-CG 4.38Å; T1107-L1111 WeakPolarHBondContact O-CG 3.35Å; T1107-L1111 PolarHBondContact O-N 3.41Å; K1108-L1111 PolarHBondContact O-N 2.9Å; L1111-I1113 VanDerWaalsContact C-N 3.29Å; L1111-I1113 PolarHBondContact O-N 2.87Å; L1111-L1114 HydrophobicContact CD2-CD1 4.49Å; L1111-L1114 PolarHBondContact O-N 2.81Å; L1111-G1115 PolarHBondContact O-N 3.3Å; L1111-Y1117 HydrophobicContact CB-CD2 4.13Å; L1111-Y1117 HydrophobicContact CB-CG 4.34Å; L1111-Y1117 HydrophobicContact CD2-CD1 4.17Å; L1111-Y1117 HydrophobicContact CD2-CD2 3.69Å; L1111-Y1117 HydrophobicContact CD2-CE1 4.2Å; L1111-Y1117 HydrophobicContact CD2-CE2 3.74Å; L1111-Y1117 HydrophobicContact CD2-CG 3.93Å; L1111-Y1117 HydrophobicContact CG-CD2 4.46Å; L1111-L1119 HydrophobicContact CB-CD1 4.14Å; L1111-L1119 HydrophobicContact CD1-CD1 4.25Å; L1111-L1119 HydrophobicContact CD1-CD2 4.11Å
1112	D	94.8	Very high	94.6	Very high	86 Å²	86	48.4 Å²	48.4	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-37.7	171.3	-69.8	-19.2	0	0	0	111.6	K1108 I1110	K1108-D1112 WeakPolarHBondContact CD-OD2 3.34Å; K1108-D1112 VanDerWaalsContact CE-OD1 3.23Å; K1108-D1112 WeakPolarHBondContact CE-OD1 3.4Å; K1108-D1112 VanDerWaalsContact CE-OD2 3.27Å; K1108-D1112 WeakPolarHBondContact CE-OD2 3.45Å; K1108-D1112 IonicContact NZ-OD1 3.51Å; K1108-D1112 PolarHBondContact NZ-OD1 2.93Å; K1108-D1112 IonicContact NZ-OD2 4Å; K1108-D1112 PolarHBondContact NZ-OD2 2.86Å; K1108-D1112 PolarHBondContact O-N 3.43Å; I1110-D1112 VanDerWaalsContact C-N 3.34Å; I1110-D1112 PolarHBondContact O-N 2.61Å
1113	I	94.2	Very high	94.2	Very high	111 Å²	111	49.3 Å²	49.3	57%	0.569	27%	0.274	S	S	*	.	H	α-helix	trans	-73.8	-42	179.1	-66.8	162.6	0	0	0	111.4	S1109 I1110 L1111 G1115	S1109-I1113 WeakPolarHBondContact O-CD1 3.26Å; S1109-I1113 VanDerWaalsContact O-CG1 3.27Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.44Å; S1109-I1113 PolarHBondContact O-N 2.95Å; I1110-I1113 PolarHBondContact O-N 2.84Å; I1110-I1113 VanDerWaalsContact O-N 3.13Å; L1111-I1113 VanDerWaalsContact C-N 3.29Å; L1111-I1113 PolarHBondContact O-N 2.87Å; I1113-G1115 VanDerWaalsContact C-N 3.29Å; I1113-G1115 PolarHBondContact O-N 2.84Å
1114	L	93	Very high	93.7	Very high	61 Å²	61	55.8 Å²	55.8	32%	0.319	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-31.8	176	-68.4	176.7	0	0	0	112.3	Q1026 L1027 A1029 I1110 L1111 Y1117	Q1026-L1114 HydrophobicContact CB-CD2 4.47Å; L1027-L1114 HydrophobicContact CD2-CD2 4.16Å; A1029-L1114 HydrophobicContact CB-CD1 4.48Å; I1110-L1114 HydrophobicContact CG2-CD1 4.38Å; I1110-L1114 HydrophobicContact CG2-CG 4.49Å; I1110-L1114 WeakPolarHBondContact O-CG 3.39Å; I1110-L1114 PolarHBondContact O-N 2.78Å; L1111-L1114 HydrophobicContact CD2-CD1 4.49Å; L1111-L1114 PolarHBondContact O-N 2.81Å; L1114-Y1117 HydrophobicContact CB-CE2 4.29Å
1115	G	91.6	Very high	93.3	Very high	36 Å²	36	56.4 Å²	56.4	37%	0.371	31%	0.306	S	S	.	.			trans	76.8	166.8	-179.5	0	0	0	0	0	114.1	L1111 I1113 Y1117	L1111-G1115 PolarHBondContact O-N 3.3Å; I1113-G1115 VanDerWaalsContact C-N 3.29Å; I1113-G1115 PolarHBondContact O-N 2.84Å; G1115-Y1117 VanDerWaalsContact C-N 3.34Å; G1115-Y1117 WeakPolarHBondContact O-CD2 3.43Å; G1115-Y1117 WeakPolarHBondContact O-CE2 3.46Å; G1115-Y1117 PolarHBondContact O-N 3.01Å
1116	G	92.2	Very high	93.1	Very high	27 Å²	27	61.3 Å²	61.3	28%	0.278	32%	0.324	S	S	.	.			trans	77	5	174.2	0	0	0	0	0	116.8	K1141 D1142	G1116-K1141 CarbonylContact O-C 3.48Å; G1116-K1141 WeakPolarHBondContact O-CA 3.4Å; G1116-K1141 VanDerWaalsContact O-CG 3.26Å; G1116-K1141 WeakPolarHBondContact O-CG 3.13Å; G1116-D1142 VanDerWaalsContact CA-OD2 3.31Å; G1116-D1142 WeakPolarHBondContact CA-OD2 3.03Å; G1116-D1142 PolarHBondContact O-N 2.68Å
1117	Y	95.4	Very high	92.6	Very high	30 Å²	30	58.6 Å²	58.6	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.6	175.1	-62.4	-87.9	0	0	0	111.3	G1030 A1033 T1034 L1111 L1114 G1115 L1138 K1141	G1030-Y1117 WeakPolarHBondContact CA-OH 3.35Å; G1030-Y1117 PolarHBondContact O-OH 3.35Å; G1030-Y1117 VanDerWaalsContact O-OH 3.14Å; A1033-Y1117 HydrophobicContact CB-CD1 4.07Å; A1033-Y1117 HydrophobicContact CB-CE1 3.71Å; T1034-Y1117 PolarHBondContact OG1-OH 3.46Å; T1034-Y1117 VanDerWaalsContact OG1-OH 3.09Å; L1111-Y1117 HydrophobicContact CB-CD2 4.13Å; L1111-Y1117 HydrophobicContact CB-CG 4.34Å; L1111-Y1117 HydrophobicContact CD2-CD1 4.17Å; L1111-Y1117 HydrophobicContact CD2-CD2 3.69Å; L1111-Y1117 HydrophobicContact CD2-CE1 4.2Å; L1111-Y1117 HydrophobicContact CD2-CE2 3.74Å; L1111-Y1117 HydrophobicContact CD2-CG 3.93Å; L1111-Y1117 HydrophobicContact CG-CD2 4.46Å; L1114-Y1117 HydrophobicContact CB-CE2 4.29Å; G1115-Y1117 VanDerWaalsContact C-N 3.34Å; G1115-Y1117 WeakPolarHBondContact O-CD2 3.43Å; G1115-Y1117 WeakPolarHBondContact O-CE2 3.46Å; G1115-Y1117 PolarHBondContact O-N 3.01Å; Y1117-L1138 HydrophobicContact CD1-CD1 4.09Å; Y1117-K1141 HydrophobicContact CD1-CB 4.05Å; Y1117-K1141 HydrophobicContact CD1-CD 4.14Å; Y1117-K1141 HydrophobicContact CD1-CG 3.84Å; Y1117-K1141 HydrophobicContact CE1-CB 4.27Å; Y1117-K1141 HydrophobicContact CE1-CD 3.53Å; Y1117-K1141 HydrophobicContact CE1-CG 3.76Å; Y1117-K1141 HydrophobicContact CG-CG 4.42Å; Y1117-K1141 VanDerWaalsContact OH-CE 3.3Å; Y1117-K1141 WeakPolarHBondContact OH-CE 3.43Å; Y1117-K1141 PolarHBondContact OH-NZ 3.34Å
1118	H	94.5	Very high	91.9	Very high	91 Å²	91	66.2 Å²	66.2	42%	0.421	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.2	178.9	-51.5	-36.7	0	0	0	110.3	I1139 G1140 D1142	H1118-I1139 PolarHBondContact O-N 2.88Å; H1118-G1140 PolarHBondContact N-O 2.89Å; H1118-D1142 IonicContact CE1-OD1 3.22Å; H1118-D1142 PolarHBondContact CE1-OD1 3.2Å; H1118-D1142 VanDerWaalsContact CE1-OD1 3.22Å; H1118-D1142 IonicContact NE2-OD1 2.76Å
1119	L	94.9	Very high	91.2	Very high	39 Å²	39	67.8 Å²	67.8	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.8	178.7	-64.5	104.1	0	0	0	112	V1103 K1108 L1111 F1136 W1137 L1138	V1103-L1119 HydrophobicContact CB-CD2 4Å; V1103-L1119 HydrophobicContact CG1-CD2 3.88Å; V1103-L1119 HydrophobicContact CG2-CD2 4.15Å; K1108-L1119 HydrophobicContact CB-CD2 4.27Å; K1108-L1119 HydrophobicContact CG-CD2 3.94Å; L1111-L1119 HydrophobicContact CB-CD1 4.14Å; L1111-L1119 HydrophobicContact CD1-CD1 4.25Å; L1111-L1119 HydrophobicContact CD1-CD2 4.11Å; L1119-F1136 HydrophobicContact CB-CB 4.33Å; L1119-F1136 HydrophobicContact CD2-CB 4.05Å; L1119-W1137 CarbonylContact C-O 3.5Å; L1119-W1137 VanDerWaalsContact CA-O 3.27Å; L1119-W1137 WeakPolarHBondContact CA-O 3.24Å; L1119-L1138 HydrophobicContact CD1-CD1 4.36Å; L1119-L1138 HydrophobicContact CD2-CB 4.46Å; L1119-L1138 HydrophobicContact CG-CD1 4.08Å
1120	Q	93.5	Very high	90.6	Very high	116 Å²	116	68.8 Å²	68.8	54%	0.542	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.5	173.6	-176.1	179.4	18.6	0	0	110.4	R1122 F1136 W1137 I1139	Q1120-R1122 PolarHBondContact O-N 2.9Å; Q1120-F1136 CarbonylContact O-C 3.56Å; Q1120-F1136 VanDerWaalsContact O-CA 3.24Å; Q1120-F1136 WeakPolarHBondContact O-CA 3.44Å; Q1120-W1137 PolarHBondContact N-O 3.33Å; Q1120-W1137 PolarHBondContact O-N 2.79Å; Q1120-I1139 HydrophobicContact CB-CD1 3.52Å; Q1120-I1139 HydrophobicContact CB-CG1 4.41Å; Q1120-I1139 HydrophobicContact CG-CD1 4.43Å
1121	L	93.1	Very high	90.2	Very high	104 Å²	104	70 Å²	70	55%	0.545	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.5	172.4	-179	68.3	0	0	0	110.1	D1134 F1136	L1121-D1134 HydrophobicContact CD1-CB 4.47Å; L1121-F1136 HydrophobicContact CB-CD1 4.36Å; L1121-F1136 HydrophobicContact CB-CE1 4.31Å; L1121-F1136 HydrophobicContact CD1-CD1 4.15Å; L1121-F1136 HydrophobicContact CD1-CE1 3.66Å; L1121-F1136 HydrophobicContact CD1-CZ 4.05Å
1122	R	88.4	Confident	89.9	Confident	82 Å²	82	75.6 Å²	75.6	31%	0.309	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-35.5	170.4	178.2	-175	177.2	-175.6	4.6	111.5	T1095 H1102 Q1120 S1135 W1137	T1095-R1122 VanDerWaalsContact O-CZ 3.23Å; T1095-R1122 PolarHBondContact O-NH1 3.31Å; T1095-R1122 PolarHBondContact O-NH2 3.43Å; H1102-R1122 PolarHBondContact NE2-NH1 3.18Å; H1102-R1122 VanDerWaalsContact NE2-NH1 3.13Å; Q1120-R1122 PolarHBondContact O-N 2.9Å; R1122-S1135 WeakPolarHBondContact CB-O 3.3Å; R1122-S1135 PolarHBondContact N-O 2.83Å; R1122-W1137 VanDerWaalsContact CD-CZ2 3.48Å; R1122-W1137 HydrophobicContact CG-CZ2 4.02Å
1123	G	88	Confident	89.6	Confident	20 Å²	20	73.2 Å²	73.2	21%	0.206	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.9	-166.1	-169.7	0	0	0	0	0	112.1	S1135	G1123-S1135 PolarHBondContact O-N 2.74Å; G1123-S1135 PolarHBondContact O-OG 2.72Å
1124	K	87	Confident	89.5	Confident	136 Å²	136	71.1 Å²	71.1	59%	0.591	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.5	-175.9	-68.3	-173.9	178.1	-173.2	0	111.6	L1132 V1133 D1134	K1124-L1132 HydrophobicContact CB-CB 4.32Å; K1124-L1132 HydrophobicContact CB-CD2 4.33Å; K1124-L1132 HydrophobicContact CD-CB 4.49Å; K1124-V1133 WeakPolarHBondContact CA-O 3.38Å; K1124-D1134 WeakPolarHBondContact CE-OD1 3.46Å; K1124-D1134 WeakPolarHBondContact CE-OD2 3.44Å; K1124-D1134 WeakPolarHBondContact CG-OD1 3.46Å
1125	V	88	Confident	89.5	Confident	15 Å²	15	68.2 Å²	68.2	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.8	179.1	178.5	0	0	0	0	108.5	T1095 L1127 L1132 V1133 S1135	T1095-V1125 HydrophobicContact CG2-CG1 4.14Å; V1125-L1127 HydrophobicContact CG1-CD2 4.07Å; V1125-L1127 PolarHBondContact O-N 3.13Å; V1125-L1132 WeakPolarHBondContact O-CA 3.33Å; V1125-V1133 PolarHBondContact N-O 3.08Å; V1125-V1133 PolarHBondContact O-N 3.03Å; V1125-S1135 WeakPolarHBondContact CG2-OG 3.27Å
1126	E	88.8	Confident	89.7	Confident	150 Å²	150	68 Å²	68	70%	0.701	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.9	176.2	-170.9	173.6	-170.8	0	0	110.5	L1132	E1126-L1132 HydrophobicContact CB-CD2 4Å
1127	L	85.9	Confident	89.8	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.5	176.4	-56.5	178.2	0	0	0	109.3	R1091 M1092 T1095 V1125 G1129 K1130 G1131 V1133	R1091-L1127 HydrophobicContact CB-CD2 4.27Å; M1092-L1127 HydrophobicContact CE-CD1 3.36Å; M1092-L1127 HydrophobicContact CE-CD2 3.38Å; M1092-L1127 HydrophobicContact CE-CG 3.98Å; T1095-L1127 HydrophobicContact CG2-CD2 4.21Å; V1125-L1127 HydrophobicContact CG1-CD2 4.07Å; V1125-L1127 PolarHBondContact O-N 3.13Å; L1127-G1129 PolarHBondContact O-N 2.99Å; L1127-K1130 HydrophobicContact CB-CB 4.12Å; L1127-K1130 PolarHBondContact O-N 3.01Å; L1127-G1131 PolarHBondContact N-O 3.09Å; L1127-G1131 PolarHBondContact O-N 2.92Å; L1127-V1133 HydrophobicContact CD1-CB 3.86Å; L1127-V1133 HydrophobicContact CD1-CG1 4.38Å; L1127-V1133 HydrophobicContact CD1-CG2 3.87Å; L1127-V1133 HydrophobicContact CG-CB 4.46Å; L1127-V1133 HydrophobicContact CG-CG2 4.44Å
1128	K	81.7	Confident	89.9	Confident	161 Å²	161	66.2 Å²	66.2	70%	0.7	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	114.2	177.3	-173.7	174.2	-176.4	175.1	0	110.4	R1091	R1091-K1128 PolarHBondContact NE-O 2.82Å; R1091-K1128 PolarHBondContact NH1-O 3.4Å; R1091-K1128 VanDerWaalsContact NH1-O 3.09Å
1129	G	81.8	Confident	89.8	Confident	83 Å²	83	66.2 Å²	66.2	86%	0.856	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-5.9	-179.9	0	0	0	0	0	116.9	L1127	L1127-G1129 PolarHBondContact O-N 2.99Å
1130	K	84	Confident	89.7	Confident	85 Å²	85	64.8 Å²	64.8	37%	0.37	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-11.6	170.2	-72.3	-172.7	172.5	172	0	113.9	D1084 T1088 L1127 V1133	D1084-K1130 WeakPolarHBondContact OD2-CE 3.2Å; D1084-K1130 IonicContact OD2-NZ 2.68Å; D1084-K1130 PolarHBondContact OD2-NZ 3.37Å; T1088-K1130 HydrophobicContact CG2-CD 4.27Å; T1088-K1130 WeakPolarHBondContact OG1-CE 3.39Å; T1088-K1130 PolarHBondContact OG1-NZ 3.32Å; L1127-K1130 HydrophobicContact CB-CB 4.12Å; L1127-K1130 PolarHBondContact O-N 3.01Å; K1130-V1133 HydrophobicContact CB-CG2 4.03Å
1131	G	87.5	Confident	89.7	Confident	31 Å²	31	62 Å²	62	32%	0.32	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-154.4	179.6	0	0	0	0	0	112.3	L1127 V1133	L1127-G1131 PolarHBondContact N-O 3.09Å; L1127-G1131 PolarHBondContact O-N 2.92Å; G1131-V1133 PolarHBondContact O-N 3.17Å
1132	L	89	Confident	89.6	Confident	119 Å²	119	61.3 Å²	61.3	62%	0.623	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	108.8	177.9	-72.1	170.7	0	0	0	110.7	K1124 V1125 E1126	K1124-L1132 HydrophobicContact CB-CB 4.32Å; K1124-L1132 HydrophobicContact CB-CD2 4.33Å; K1124-L1132 HydrophobicContact CD-CB 4.49Å; V1125-L1132 WeakPolarHBondContact O-CA 3.33Å; E1126-L1132 HydrophobicContact CB-CD2 4Å
1133	V	89.1	Confident	89.6	Confident	35 Å²	35	64.7 Å²	64.7	21%	0.212	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.4	-179.1	-175.6	0	0	0	0	109.2	P1105 K1124 V1125 L1127 K1130 G1131	P1105-V1133 HydrophobicContact CG-CG1 3.78Å; K1124-V1133 WeakPolarHBondContact CA-O 3.38Å; V1125-V1133 PolarHBondContact N-O 3.08Å; V1125-V1133 PolarHBondContact O-N 3.03Å; L1127-V1133 HydrophobicContact CD1-CB 3.86Å; L1127-V1133 HydrophobicContact CD1-CG1 4.38Å; L1127-V1133 HydrophobicContact CD1-CG2 3.87Å; L1127-V1133 HydrophobicContact CG-CB 4.46Å; L1127-V1133 HydrophobicContact CG-CG2 4.44Å; K1130-V1133 HydrophobicContact CB-CG2 4.03Å; G1131-V1133 PolarHBondContact O-N 3.17Å
1134	D	91.7	Very high	89.6	Confident	67 Å²	67	65.7 Å²	65.7	36%	0.358	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	143.6	171.8	-69.5	-59.7	0	0	0	110	P1105 L1121 K1124	P1105-D1134 VanDerWaalsContact CD-O 3.3Å; P1105-D1134 WeakPolarHBondContact CD-O 3.12Å; P1105-D1134 WeakPolarHBondContact CG-O 3.36Å; L1121-D1134 HydrophobicContact CD1-CB 4.47Å; K1124-D1134 WeakPolarHBondContact CE-OD1 3.46Å; K1124-D1134 WeakPolarHBondContact CE-OD2 3.44Å; K1124-D1134 WeakPolarHBondContact CG-OD1 3.46Å
1135	S	92.4	Very high	89.7	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.007	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	162.5	-173.6	60.5	0	0	0	0	112	R1122 G1123 V1125	R1122-S1135 WeakPolarHBondContact CB-O 3.3Å; R1122-S1135 PolarHBondContact N-O 2.83Å; G1123-S1135 PolarHBondContact O-N 2.74Å; G1123-S1135 PolarHBondContact O-OG 2.72Å; V1125-S1135 WeakPolarHBondContact CG2-OG 3.27Å
1136	F	96.1	Very high	89.8	Confident	30 Å²	30	70.1 Å²	70.1	13%	0.132	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.2	-168.2	-54.9	-90.5	0	0	0	111.7	V1103 P1105 K1108 L1119 Q1120 L1121	V1103-F1136 HydrophobicContact CB-CB 4.38Å; V1103-F1136 PolarHBondContact N-O 2.98Å; V1103-F1136 PolarHBondContact O-N 3.1Å; P1105-F1136 HydrophobicContact CG-CE2 4.47Å; K1108-F1136 HydrophobicContact CB-CD2 3.7Å; K1108-F1136 HydrophobicContact CB-CE2 4.01Å; K1108-F1136 HydrophobicContact CB-CG 4.24Å; K1108-F1136 HydrophobicContact CD-CD1 4.36Å; K1108-F1136 HydrophobicContact CD-CD2 4.22Å; K1108-F1136 HydrophobicContact CD-CE1 4.06Å; K1108-F1136 HydrophobicContact CD-CE2 3.92Å; K1108-F1136 HydrophobicContact CD-CG 4.45Å; K1108-F1136 HydrophobicContact CD-CZ 3.83Å; K1108-F1136 HydrophobicContact CG-CB 4.44Å; K1108-F1136 HydrophobicContact CG-CD1 4.07Å; K1108-F1136 HydrophobicContact CG-CD2 3.66Å; K1108-F1136 HydrophobicContact CG-CE1 4.26Å; K1108-F1136 HydrophobicContact CG-CE2 3.89Å; K1108-F1136 HydrophobicContact CG-CG 3.78Å; K1108-F1136 HydrophobicContact CG-CZ 4.18Å; L1119-F1136 HydrophobicContact CB-CB 4.33Å; L1119-F1136 HydrophobicContact CD2-CB 4.05Å; Q1120-F1136 CarbonylContact O-C 3.56Å; Q1120-F1136 VanDerWaalsContact O-CA 3.24Å; Q1120-F1136 WeakPolarHBondContact O-CA 3.44Å; L1121-F1136 HydrophobicContact CB-CD1 4.36Å; L1121-F1136 HydrophobicContact CB-CE1 4.31Å; L1121-F1136 HydrophobicContact CD1-CD1 4.15Å; L1121-F1136 HydrophobicContact CD1-CE1 3.66Å; L1121-F1136 HydrophobicContact CD1-CZ 4.05Å
1137	W	95.7	Very high	89.8	Confident	13 Å²	13	67.8 Å²	67.8	5%	0.049	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.1	165.6	-62.1	123.2	0	0	0	109	R1100 I1101 H1102 L1119 Q1120 R1122 I1139	R1100-W1137 HydrophobicContact CB-CD2 4.29Å; R1100-W1137 HydrophobicContact CB-CE3 3.56Å; R1100-W1137 HydrophobicContact CB-CH2 4.16Å; R1100-W1137 HydrophobicContact CB-CZ3 3.47Å; R1100-W1137 VanDerWaalsContact CB-CZ3 3.47Å; R1100-W1137 HydrophobicContact CG-CE3 4.39Å; R1100-W1137 HydrophobicContact CG-CZ3 4.43Å; I1101-W1137 WeakPolarHBondContact O-CA 3.37Å; H1102-W1137 HydrophobicContact CB-CE3 4.12Å; H1102-W1137 HydrophobicContact CB-CH2 4.48Å; H1102-W1137 HydrophobicContact CB-CZ3 3.64Å; L1119-W1137 CarbonylContact C-O 3.5Å; L1119-W1137 VanDerWaalsContact CA-O 3.27Å; L1119-W1137 WeakPolarHBondContact CA-O 3.24Å; Q1120-W1137 PolarHBondContact N-O 3.33Å; Q1120-W1137 PolarHBondContact O-N 2.79Å; R1122-W1137 VanDerWaalsContact CD-CZ2 3.48Å; R1122-W1137 HydrophobicContact CG-CZ2 4.02Å; W1137-I1139 HydrophobicContact CB-CG1 4.42Å
1138	L	96.1	Very high	90	Very high	8 Å²	8	70.4 Å²	70.4	4%	0.042	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.5	165.1	175.7	67.3	0	0	0	108.5	A1033 L1037 I1101 V1103 Y1117 L1119 G1140	A1033-L1138 HydrophobicContact CB-CD2 3.8Å; L1037-L1138 HydrophobicContact CD1-CD2 4.15Å; L1037-L1138 HydrophobicContact CD1-CG 4.44Å; L1037-L1138 HydrophobicContact CD2-CD2 4.39Å; L1037-L1138 HydrophobicContact CD2-CG 4.32Å; L1037-L1138 HydrophobicContact CG-CD2 4.06Å; L1037-L1138 HydrophobicContact CG-CG 4.46Å; I1101-L1138 HydrophobicContact CB-CB 4.09Å; I1101-L1138 HydrophobicContact CD1-CD2 4.19Å; I1101-L1138 HydrophobicContact CG2-CB 3.99Å; I1101-L1138 HydrophobicContact CG2-CD2 4.19Å; I1101-L1138 PolarHBondContact O-N 3.15Å; V1103-L1138 HydrophobicContact CG2-CB 3.77Å; Y1117-L1138 HydrophobicContact CD1-CD1 4.09Å; L1119-L1138 HydrophobicContact CD1-CD1 4.36Å; L1119-L1138 HydrophobicContact CD2-CB 4.46Å; L1119-L1138 HydrophobicContact CG-CD1 4.08Å; L1138-G1140 WeakPolarHBondContact CD1-O 3.38Å
1139	I	92.9	Very high	90.3	Very high	90 Å²	90	63.9 Å²	63.9	46%	0.462	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-30.6	-173.9	-62.2	179.8	0	0	0	111.7	H1118 Q1120 W1137 L1148	H1118-I1139 PolarHBondContact O-N 2.88Å; Q1120-I1139 HydrophobicContact CB-CD1 3.52Å; Q1120-I1139 HydrophobicContact CB-CG1 4.41Å; Q1120-I1139 HydrophobicContact CG-CD1 4.43Å; W1137-I1139 HydrophobicContact CB-CG1 4.42Å; I1139-L1148 VanDerWaalsContact O-CD1 3.24Å; I1139-L1148 WeakPolarHBondContact O-CD1 3.21Å
1140	G	92.6	Very high	90.5	Very high	9 Å²	9	67.3 Å²	67.3	9%	0.093	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-173.8	-178.5	0	0	0	0	0	112.6	H1118 L1138	H1118-G1140 PolarHBondContact N-O 2.89Å; L1138-G1140 WeakPolarHBondContact CD1-O 3.38Å
1141	K	93.5	Very high	90.5	Very high	59 Å²	59	65.8 Å²	65.8	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	143.6	-179.6	-176.3	-165.7	-176.5	173.2	0	109.6	T1034 L1037 G1116 Y1117 N1143 F1144	T1034-K1141 HydrophobicContact CG2-CD 4.27Å; T1034-K1141 PolarHBondContact OG1-NZ 2.91Å; L1037-K1141 HydrophobicContact CD1-CB 3.87Å; G1116-K1141 CarbonylContact O-C 3.48Å; G1116-K1141 WeakPolarHBondContact O-CA 3.4Å; G1116-K1141 VanDerWaalsContact O-CG 3.26Å; G1116-K1141 WeakPolarHBondContact O-CG 3.13Å; Y1117-K1141 HydrophobicContact CD1-CB 4.05Å; Y1117-K1141 HydrophobicContact CD1-CD 4.14Å; Y1117-K1141 HydrophobicContact CD1-CG 3.84Å; Y1117-K1141 HydrophobicContact CE1-CB 4.27Å; Y1117-K1141 HydrophobicContact CE1-CD 3.53Å; Y1117-K1141 HydrophobicContact CE1-CG 3.76Å; Y1117-K1141 HydrophobicContact CG-CG 4.42Å; Y1117-K1141 VanDerWaalsContact OH-CE 3.3Å; Y1117-K1141 WeakPolarHBondContact OH-CE 3.43Å; Y1117-K1141 PolarHBondContact OH-NZ 3.34Å; K1141-N1143 PolarHBondContact O-N 2.62Å; K1141-F1144 HydrophobicContact CB-CB 4.06Å; K1141-F1144 VanDerWaalsContact O-CB 3.31Å; K1141-F1144 WeakPolarHBondContact O-CB 3.21Å; K1141-F1144 PolarHBondContact O-N 2.71Å
1142	D	91	Very high	90.2	Very high	88 Å²	88	66 Å²	66	47%	0.471	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	132.5	170.6	-70.7	-34.8	0	0	0	110.4	G1116 H1118 F1144	G1116-D1142 VanDerWaalsContact CA-OD2 3.31Å; G1116-D1142 WeakPolarHBondContact CA-OD2 3.03Å; G1116-D1142 PolarHBondContact O-N 2.68Å; H1118-D1142 IonicContact CE1-OD1 3.22Å; H1118-D1142 PolarHBondContact CE1-OD1 3.2Å; H1118-D1142 VanDerWaalsContact CE1-OD1 3.22Å; H1118-D1142 IonicContact NE2-OD1 2.76Å; D1142-F1144 VanDerWaalsContact C-N 3.27Å; D1142-F1144 PolarHBondContact O-N 2.62Å
1143	N	87.9	Confident	89.6	Confident	154 Å²	154	65.6 Å²	65.6	82%	0.824	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	11.4	-175.4	-45.3	-71.3	0	0	0	116.3	K1141 N1145	K1141-N1143 PolarHBondContact O-N 2.62Å; N1143-N1145 PolarHBondContact O-N 3.1Å
1144	F	90	Very high	88.8	Confident	40 Å²	40	69 Å²	69	18%	0.175	38%	0.375	C	S	.	.			trans	-84.6	97.3	170.9	-171.9	-91.2	0	0	0	110.8	L1037 D1038 K1141 D1142 K1146 L1148	L1037-F1144 VanDerWaalsContact C-CZ 3.45Å; L1037-F1144 HydrophobicContact CB-CD1 4.45Å; L1037-F1144 HydrophobicContact CB-CD2 4.25Å; L1037-F1144 HydrophobicContact CB-CE1 3.99Å; L1037-F1144 HydrophobicContact CB-CE2 3.77Å; L1037-F1144 HydrophobicContact CB-CZ 3.63Å; L1037-F1144 WeakPolarHBondContact O-CZ 3.41Å; D1038-F1144 HydrophobicContact CB-CE2 4.37Å; K1141-F1144 HydrophobicContact CB-CB 4.06Å; K1141-F1144 VanDerWaalsContact O-CB 3.31Å; K1141-F1144 WeakPolarHBondContact O-CB 3.21Å; K1141-F1144 PolarHBondContact O-N 2.71Å; D1142-F1144 VanDerWaalsContact C-N 3.27Å; D1142-F1144 PolarHBondContact O-N 2.62Å; F1144-K1146 HydrophobicContact CD1-CB 4.43Å; F1144-K1146 HydrophobicContact CE1-CB 3.69Å; F1144-K1146 WeakPolarHBondContact CE1-O 3.36Å; F1144-K1146 HydrophobicContact CE2-CD 4.34Å; F1144-K1146 HydrophobicContact CZ-CB 3.73Å; F1144-K1146 HydrophobicContact CZ-CD 4.1Å; F1144-K1146 HydrophobicContact CZ-CG 4.22Å; F1144-L1148 HydrophobicContact CE1-CD2 3.89Å; F1144-L1148 HydrophobicContact CE1-CG 4.27Å
1145	N	88	Confident	87.2	Confident	154 Å²	154	70 Å²	70	82%	0.824	38%	0.384	S	S	*	.			trans	-91.7	3.8	-171.8	-62.2	-22.1	0	0	0	114.8	N1143	N1143-N1145 PolarHBondContact O-N 3.1Å
1146	K	89.7	Confident	85	Confident	91 Å²	91	80 Å²	80	40%	0.396	43%	0.431	S	S	.	.	S	Bend	trans	-83.9	138.3	-179.6	-58.4	-178.6	168	-175.6	0	110.1	D1038 S1041 F1144	D1038-K1146 WeakPolarHBondContact OD1-CD 3.24Å; D1038-K1146 IonicContact OD1-NZ 2.65Å; D1038-K1146 PolarHBondContact OD1-NZ 2.73Å; D1038-K1146 IonicContact OD2-NZ 2.93Å; D1038-K1146 PolarHBondContact OD2-NZ 3.13Å; S1041-K1146 WeakPolarHBondContact OG-CB 3.4Å; F1144-K1146 HydrophobicContact CD1-CB 4.43Å; F1144-K1146 HydrophobicContact CE1-CB 3.69Å; F1144-K1146 WeakPolarHBondContact CE1-O 3.36Å; F1144-K1146 HydrophobicContact CE2-CD 4.34Å; F1144-K1146 HydrophobicContact CZ-CB 3.73Å; F1144-K1146 HydrophobicContact CZ-CD 4.1Å; F1144-K1146 HydrophobicContact CZ-CG 4.22Å
1147	P	89.6	Confident	82.7	Confident	101 Å²	101	81.5 Å²	81.5	66%	0.656	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-69.3	133.9	-177.4	28.7	-34.5	0	0	0	111.1	S1041	S1041-P1147 WeakPolarHBondContact CA-O 3.31Å; S1041-P1147 VanDerWaalsContact CB-O 3.26Å; S1041-P1147 WeakPolarHBondContact CB-O 3.26Å; S1041-P1147 PolarHBondContact OG-O 3.31Å
1148	L	90	Very high	80.3	Confident	60 Å²	60	85 Å²	85	31%	0.314	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-98.5	144.3	174.5	-63	172.8	0	0	0	109.9	L1037 L1040 I1139 F1144	L1037-L1148 HydrophobicContact CD2-CD1 3.9Å; L1037-L1148 HydrophobicContact CD2-CD2 4.25Å; L1037-L1148 WeakPolarHBondContact O-CD2 3.5Å; L1040-L1148 HydrophobicContact CB-CD2 4.45Å; L1040-L1148 HydrophobicContact CD2-CD2 4.35Å; L1040-L1148 HydrophobicContact CG-CD2 4.4Å; I1139-L1148 VanDerWaalsContact O-CD1 3.24Å; I1139-L1148 WeakPolarHBondContact O-CD1 3.21Å; F1144-L1148 HydrophobicContact CE1-CD2 3.89Å; F1144-L1148 HydrophobicContact CE1-CG 4.27Å
1149	P	87.9	Confident	77.8	Confident	23 Å²	23	88.9 Å²	88.9	15%	0.149	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-69.2	138.1	177.1	28.1	-34.1	0	0	0	111.6	L1040 F1099 P1151	L1040-P1149 HydrophobicContact CD1-CG 3.93Å; L1040-P1149 HydrophobicContact CG-CG 4.07Å; L1040-P1149 WeakPolarHBondContact O-CD 3.42Å; F1099-P1149 HydrophobicContact CB-CG 4.14Å; F1099-P1149 HydrophobicContact CD1-CB 4.11Å; F1099-P1149 HydrophobicContact CD1-CG 3.61Å; F1099-P1149 HydrophobicContact CD2-CB 4.02Å; F1099-P1149 HydrophobicContact CD2-CG 4.31Å; F1099-P1149 HydrophobicContact CE1-CB 4.18Å; F1099-P1149 HydrophobicContact CE1-CG 3.98Å; F1099-P1149 HydrophobicContact CE2-CB 4.1Å; F1099-P1149 HydrophobicContact CG-CB 4.03Å; F1099-P1149 HydrophobicContact CG-CG 3.81Å; F1099-P1149 HydrophobicContact CZ-CB 4.18Å; F1099-P1149 HydrophobicContact CZ-CG 4.48Å; P1149-P1151 WeakPolarHBondContact O-CD 3.3Å
1150	D	84.9	Confident	75.7	Confident	156 Å²	156	92 Å²	92	83%	0.834	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-63.7	118.7	174.3	-76.2	-46.1	0	0	0	110.5
1151	P	84.7	Confident	73.4	Confident	52 Å²	52	93.4 Å²	93.4	34%	0.338	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-83	141.3	-173.6	34.5	-36.5	0	0	0	111.1	F1099 R1100 P1149	F1099-P1151 HydrophobicContact CB-CB 3.88Å; R1100-P1151 HydrophobicContact CG-CB 3.92Å; R1100-P1151 HydrophobicContact CG-CG 4.43Å; P1149-P1151 WeakPolarHBondContact O-CD 3.3Å
1152	P	81.5	Confident	71.2	Confident	35 Å²	35	91 Å²	91	23%	0.227	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-58.7	150.5	-178.5	24.5	-34.4	0	0	0	111.8	A1098 R1100	A1098-P1152 HydrophobicContact CB-CG 3.94Å; R1100-P1152 VanDerWaalsContact CZ-O 3.29Å; R1100-P1152 PolarHBondContact NH1-O 3.25Å; R1100-P1152 PolarHBondContact NH2-O 3.44Å
1153	P	77	Confident	68.8	Low	112 Å²	112	90.6 Å²	90.6	73%	0.727	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-56.6	145.9	-179.3	23.8	-33.8	0	0	0	111.8	T1155	P1153-T1155 PolarHBondContact O-N 2.7Å
1154	L	71.6	Confident	66.8	Low	105 Å²	105	87.2 Å²	87.2	55%	0.55	51%	0.51	S	S	.	.			trans	-82.6	95.2	178.6	-67.8	172	0	0	0	109.6
1155	T	58.8	Low	64.8	Low	88 Å²	88	89.3 Å²	89.3	54%	0.54	52%	0.522	S	S	.	.			trans	-88.4	138.7	170.8	10.8	0	0	0	0	111	P1153 G1157 D1158	P1153-T1155 PolarHBondContact O-N 2.7Å; T1155-G1157 PolarHBondContact O-N 2.8Å; T1155-D1158 VanDerWaalsContact CB-OD2 3.3Å; T1155-D1158 WeakPolarHBondContact CB-OD2 3.19Å; T1155-D1158 PolarHBondContact O-N 3.09Å; T1155-D1158 PolarHBondContact OG1-OD2 2.92Å
1156	E	45.5	Very low	63.1	Low	211 Å²	211	83.3 Å²	83.3	99%	0.986	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	99.2	179.8	-68	-173.5	155.8	0	0	110.7
1157	G	47.8	Very low	61.3	Low	62 Å²	62	85 Å²	85	64%	0.639	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.4	-12.7	176.1	0	0	0	0	0	115.8	T1155 N1159	T1155-G1157 PolarHBondContact O-N 2.8Å; G1157-N1159 PolarHBondContact O-N 3.47Å
1158	D	44.8	Very low	59.5	Low	87 Å²	87	85.1 Å²	85.1	47%	0.465	50%	0.498	S	S	.	.			trans	-80	73.9	-168.8	-72.6	-40.9	0	0	0	115.1	T1155	T1155-D1158 VanDerWaalsContact CB-OD2 3.3Å; T1155-D1158 WeakPolarHBondContact CB-OD2 3.19Å; T1155-D1158 PolarHBondContact O-N 3.09Å; T1155-D1158 PolarHBondContact OG1-OD2 2.92Å
1159	N	44.1	Very low	57.9	Low	90 Å²	90	89.5 Å²	89.5	48%	0.481	52%	0.517	S	S	.	.			trans	-100	4.8	159.2	-85.1	-17.4	0	0	0	112.8	G1157	G1157-N1159 PolarHBondContact O-N 3.47Å
1160	H	48.9	Very low	56.5	Low	155 Å²	155	92 Å²	92	72%	0.718	53%	0.527	S	S	*	.	S	Bend	trans	-135.6	91.8	-159.5	-61.8	-52.2	0	0	0	116.1
1161	G	44.2	Very low	55.2	Low	38 Å²	38	87.1 Å²	87.1	39%	0.392	50%	0.5	S	S	.	.			trans	78.5	152.9	144.3	0	0	0	0	0	118.7	A1163 S1164	G1161-A1163 PolarHBondContact O-N 3Å; G1161-S1164 PolarHBondContact O-OG 2.91Å
1162	L	46.9	Very low	54	Low	9 Å²	9	91.6 Å²	91.6	5%	0.047	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-64.6	-9.6	176.1	-148.1	76.4	0	0	0	113.5	T974 I975 V1054 S1164 L1165 L1166	T974-L1162 HydrophobicContact CG2-CB 4.11Å; T974-L1162 HydrophobicContact CG2-CD2 4.05Å; I975-L1162 HydrophobicContact CG1-CD2 4.34Å; V1054-L1162 HydrophobicContact CG1-CD2 4.3Å; L1162-S1164 PolarHBondContact O-N 3.14Å; L1162-L1165 HydrophobicContact CD1-CD1 4.34Å; L1162-L1165 PolarHBondContact O-N 2.82Å; L1162-L1166 HydrophobicContact CD2-CD1 3.77Å; L1162-L1166 HydrophobicContact CD2-CG 4.41Å; L1162-L1166 PolarHBondContact O-N 2.9Å
1163	A	41.2	Very low	53.1	Low	80 Å²	80	92.8 Å²	92.8	66%	0.661	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-63.9	-16.6	-178	0	0	0	0	0	114.3	G1161	G1161-A1163 PolarHBondContact O-N 3Å
1164	S	46.1	Very low	52.3	Low	83 Å²	83	89.7 Å²	89.7	58%	0.58	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-85.2	-8.9	171.6	59.4	0	0	0	0	114	G1161 L1162	G1161-S1164 PolarHBondContact O-OG 2.91Å; L1162-S1164 PolarHBondContact O-N 3.14Å
1165	L	47.9	Very low	51.8	Low	83 Å²	83	86.7 Å²	86.7	44%	0.435	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-27.3	-166.3	-71.1	159.2	0	0	0	114.7	L1162	L1162-L1165 HydrophobicContact CD1-CD1 4.34Å; L1162-L1165 PolarHBondContact O-N 2.82Å
1166	L	52.8	Low	51.9	Low	28 Å²	28	88.8 Å²	88.8	15%	0.147	50%	0.497	C	S	.	.	S	Bend	trans	-101.2	131.3	169.4	-70.1	172.2	0	0	0	109.3	L1162 I1171	L1162-L1166 HydrophobicContact CD2-CD1 3.77Å; L1162-L1166 HydrophobicContact CD2-CG 4.41Å; L1162-L1166 PolarHBondContact O-N 2.9Å; L1166-I1171 HydrophobicContact CB-CD1 4.04Å; L1166-I1171 HydrophobicContact CB-CG1 3.75Å; L1166-I1171 HydrophobicContact CD1-CG1 4.25Å
1167	K	52	Low	52.8	Low	127 Å²	127	85.6 Å²	85.6	55%	0.552	48%	0.48	S	S	*	.			trans	-64.6	145.3	172.7	-65.1	175.4	-171.7	157.6	0	109.2	E1169 E1170 I1171	K1167-E1169 PolarHBondContact O-N 2.93Å; K1167-E1170 HydrophobicContact CB-CG 4.22Å; K1167-E1170 PolarHBondContact N-OE2 3.39Å; K1167-E1170 WeakPolarHBondContact O-CB 3.39Å; K1167-E1170 PolarHBondContact O-N 3.46Å; K1167-I1171 PolarHBondContact O-N 3.04Å
1168	P	52	Low	53.1	Low	103 Å²	103	85.3 Å²	85.3	67%	0.669	46%	0.464	S	S	*	.	H	α-helix	trans	-55	-24.4	175.9	-27.7	35.6	0	0	0	114.3	K1172	P1168-K1172 PolarHBondContact O-N 3.2Å
1169	E	54.6	Low	53.7	Low	152 Å²	152	88.3 Å²	88.3	71%	0.71	47%	0.473	S	S	*	.	H	α-helix	trans	-71.4	-40.8	174.6	-60.4	-178.9	153.5	0	0	112.5	K1167 K1172 A1173	K1167-E1169 PolarHBondContact O-N 2.93Å; E1169-K1172 PolarHBondContact O-N 2.87Å; E1169-A1173 PolarHBondContact O-N 2.95Å
1170	E	58.7	Low	54.3	Low	77 Å²	77	90.1 Å²	90.1	36%	0.36	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-41.7	177.7	-67.7	155.7	-177.3	0	0	110.4	K1167 K1172 A1173 M1174	K1167-E1170 HydrophobicContact CB-CG 4.22Å; K1167-E1170 PolarHBondContact N-OE2 3.39Å; K1167-E1170 WeakPolarHBondContact O-CB 3.39Å; K1167-E1170 PolarHBondContact O-N 3.46Å; E1170-K1172 VanDerWaalsContact C-N 3.33Å; E1170-K1172 PolarHBondContact O-N 2.85Å; E1170-A1173 PolarHBondContact O-N 3.42Å; E1170-M1174 WeakPolarHBondContact O-CG 3.15Å; E1170-M1174 PolarHBondContact O-N 3.29Å
1171	I	59.3	Low	54.6	Low	52 Å²	52	87 Å²	87	27%	0.267	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-41.8	174.4	-57.9	178.2	0	0	0	111	L978 L1166 K1167 A1175	L978-I1171 HydrophobicContact CD2-CG2 4.21Å; L1166-I1171 HydrophobicContact CB-CD1 4.04Å; L1166-I1171 HydrophobicContact CB-CG1 3.75Å; L1166-I1171 HydrophobicContact CD1-CG1 4.25Å; K1167-I1171 PolarHBondContact O-N 3.04Å; I1171-A1175 WeakPolarHBondContact O-CB 3.27Å; I1171-A1175 PolarHBondContact O-N 3.45Å
1172	K	58.6	Low	54.9	Low	147 Å²	147	88 Å²	88	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-64.7	-47.2	175	-84.4	-178.5	173.6	-177.7	0	112.4	P1168 E1169 E1170 M1174 A1175 E1176	P1168-K1172 PolarHBondContact O-N 3.2Å; E1169-K1172 PolarHBondContact O-N 2.87Å; E1170-K1172 VanDerWaalsContact C-N 3.33Å; E1170-K1172 PolarHBondContact O-N 2.85Å; K1172-M1174 VanDerWaalsContact C-N 3.32Å; K1172-M1174 PolarHBondContact O-N 2.84Å; K1172-A1175 PolarHBondContact O-N 3.29Å; K1172-E1176 WeakPolarHBondContact O-CG 3.37Å; K1172-E1176 PolarHBondContact O-N 3.31Å
1173	A	62.2	Low	55.1	Low	60 Å²	60	93 Å²	93	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-60.2	-41.7	-179.9	0	0	0	0	0	112.1	E1169 E1170 K1177	E1169-A1173 PolarHBondContact O-N 2.95Å; E1170-A1173 PolarHBondContact O-N 3.42Å; A1173-K1177 PolarHBondContact O-N 3.4Å; A1173-K1177 VanDerWaalsContact O-N 3.14Å
1174	M	60.3	Low	55.6	Low	46 Å²	46	95 Å²	95	23%	0.227	49%	0.494	C	S	.	.	H	α-helix	trans	-64.9	-43.6	174.1	-72.2	178.3	166.6	0	0	112.2	M1051 V1054 E1170 K1172 E1176 K1177 N1178	M1051-M1174 HydrophobicContact SD-SD 4.4Å; V1054-M1174 HydrophobicContact CG2-CE 4.1Å; E1170-M1174 WeakPolarHBondContact O-CG 3.15Å; E1170-M1174 PolarHBondContact O-N 3.29Å; K1172-M1174 VanDerWaalsContact C-N 3.32Å; K1172-M1174 PolarHBondContact O-N 2.84Å; M1174-E1176 VanDerWaalsContact C-N 3.34Å; M1174-E1176 PolarHBondContact O-N 2.95Å; M1174-K1177 PolarHBondContact O-N 3.27Å; M1174-N1178 PolarHBondContact O-N 3.03Å
1175	A	61.8	Low	55.8	Low	43 Å²	43	94 Å²	94	36%	0.355	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-30.8	178.9	0	0	0	0	0	113.7	I1171 K1172	I1171-A1175 WeakPolarHBondContact O-CB 3.27Å; I1171-A1175 PolarHBondContact O-N 3.45Å; K1172-A1175 PolarHBondContact O-N 3.29Å
1176	E	61.3	Low	56	Low	132 Å²	132	94.1 Å²	94.1	62%	0.617	49%	0.49	S	S	*	.	H	α-helix	trans	-74.2	-40.6	174.6	-74.8	178.7	178.9	0	0	112	K1172 M1174 N1178 K1179	K1172-E1176 WeakPolarHBondContact O-CG 3.37Å; K1172-E1176 PolarHBondContact O-N 3.31Å; M1174-E1176 VanDerWaalsContact C-N 3.34Å; M1174-E1176 PolarHBondContact O-N 2.95Å; E1176-N1178 PolarHBondContact O-N 3.16Å; E1176-K1179 WeakPolarHBondContact O-CB 3.23Å; E1176-K1179 PolarHBondContact O-N 3.31Å; E1176-K1179 VanDerWaalsContact O-N 3.16Å
1177	K	63	Low	55.8	Low	144 Å²	144	99.8 Å²	99.8	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-46.6	177.9	-166.3	178.2	179.6	-173.6	0	112.2	A1173 M1174 K1179 L1180 D1181	A1173-K1177 PolarHBondContact O-N 3.4Å; A1173-K1177 VanDerWaalsContact O-N 3.14Å; M1174-K1177 PolarHBondContact O-N 3.27Å; K1177-K1179 PolarHBondContact O-N 3.1Å; K1177-K1179 VanDerWaalsContact O-N 3.12Å; K1177-L1180 PolarHBondContact O-N 3.28Å; K1177-D1181 PolarHBondContact O-N 2.92Å
1178	N	54.9	Low	55.7	Low	55 Å²	55	100.3 Å²	100.3	29%	0.294	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-20	178.6	-73.1	-12.7	0	0	0	114	L978 M1174 E1176 S1182	L978-N1178 PolarHBondContact O-ND2 3.25Å; M1174-N1178 PolarHBondContact O-N 3.03Å; E1176-N1178 PolarHBondContact O-N 3.16Å; N1178-S1182 WeakPolarHBondContact O-CB 3.45Å; N1178-S1182 PolarHBondContact O-N 2.91Å; N1178-S1182 PolarHBondContact O-OG 3.37Å
1179	K	57.5	Low	55.5	Low	150 Å²	150	102.6 Å²	102.6	65%	0.652	52%	0.524	S	S	*	.	H	α-helix	trans	-80	-19.5	174.1	-78.7	-178.4	176.4	176.9	0	114	E1176 K1177 N1183	E1176-K1179 WeakPolarHBondContact O-CB 3.23Å; E1176-K1179 PolarHBondContact O-N 3.31Å; E1176-K1179 VanDerWaalsContact O-N 3.16Å; K1177-K1179 PolarHBondContact O-N 3.1Å; K1177-K1179 VanDerWaalsContact O-N 3.12Å; K1179-N1183 PolarHBondContact O-ND2 2.95Å
1180	L	55.8	Low	55.2	Low	128 Å²	128	103.3 Å²	103.3	67%	0.67	53%	0.525	S	S	*	.	H	α-helix	trans	-78.4	-52.6	169.9	-94	75.4	0	0	0	110.5	K1177 S1182 N1183	K1177-L1180 PolarHBondContact O-N 3.28Å; L1180-S1182 PolarHBondContact O-N 2.88Å; L1180-S1182 VanDerWaalsContact O-N 3.17Å; L1180-N1183 PolarHBondContact O-N 3.25Å
1181	D	54.7	Low	54.6	Low	91 Å²	91	106.1 Å²	106.1	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-62.6	-29.2	-172.1	-61.9	-12.5	0	0	0	113.2	K1177 N1183 S1185	K1177-D1181 PolarHBondContact O-N 2.92Å; D1181-N1183 VanDerWaalsContact C-N 3.33Å; D1181-N1183 PolarHBondContact O-N 2.88Å; D1181-S1185 PolarHBondContact O-OG 3.31Å
1182	S	50.5	Low	53.9	Low	58 Å²	58	110.4 Å²	110.4	41%	0.406	57%	0.566	S	S	.	*	H	α-helix	trans	-73.9	-17.8	176.1	46.7	0	0	0	0	114.4	N1178 L1180 S1185 V1186	N1178-S1182 WeakPolarHBondContact O-CB 3.45Å; N1178-S1182 PolarHBondContact O-N 2.91Å; N1178-S1182 PolarHBondContact O-OG 3.37Å; L1180-S1182 PolarHBondContact O-N 2.88Å; L1180-S1182 VanDerWaalsContact O-N 3.17Å; S1182-S1185 PolarHBondContact O-OG 3.04Å; S1182-V1186 WeakPolarHBondContact O-CG2 3.38Å
1183	N	51	Low	52.8	Low	114 Å²	114	111 Å²	111	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-86.7	-41.8	175.6	-75.1	-52.2	0	0	0	112.1	K1179 L1180 D1181 S1185 V1186	K1179-N1183 PolarHBondContact O-ND2 2.95Å; L1180-N1183 PolarHBondContact O-N 3.25Å; D1181-N1183 VanDerWaalsContact C-N 3.33Å; D1181-N1183 PolarHBondContact O-N 2.88Å; N1183-S1185 VanDerWaalsContact C-N 3.31Å; N1183-S1185 PolarHBondContact O-N 3.47Å; N1183-V1186 PolarHBondContact O-N 3.49Å
1184	E	52.7	Low	51.7	Low	123 Å²	123	115 Å²	115	58%	0.575	59%	0.588	S	S	*	*	H	α-helix	trans	-63.7	-34.8	178.8	-73.1	-158.1	165.8	0	0	113.3	V1186 E1187 K1188	E1184-V1186 VanDerWaalsContact C-N 3.33Å; E1184-V1186 PolarHBondContact O-N 3.47Å; E1184-E1187 PolarHBondContact O-N 3.13Å; E1184-K1188 PolarHBondContact O-N 2.95Å; E1184-K1188 IonicContact OE2-NZ 3.3Å
1185	S	50.2	Low	50.5	Low	61 Å²	61	120.9 Å²	120.9	43%	0.427	61%	0.614	S	S	.	*	H	α-helix	trans	-69.9	-29.3	-178.2	41.1	0	0	0	0	112.8	D1181 S1182 N1183	D1181-S1185 PolarHBondContact O-OG 3.31Å; S1182-S1185 PolarHBondContact O-OG 3.04Å; N1183-S1185 VanDerWaalsContact C-N 3.31Å; N1183-S1185 PolarHBondContact O-N 3.47Å
1186	V	52.3	Low	49.2	Very low	85 Å²	85	123.9 Å²	123.9	52%	0.515	63%	0.628	S	S	.	*	H	α-helix	trans	-77.7	-26.3	177.4	175.8	0	0	0	0	112.6	S1182 N1183 E1184	S1182-V1186 WeakPolarHBondContact O-CG2 3.38Å; N1183-V1186 PolarHBondContact O-N 3.49Å; E1184-V1186 VanDerWaalsContact C-N 3.33Å; E1184-V1186 PolarHBondContact O-N 3.47Å
1187	E	47.8	Very low	48	Very low	148 Å²	148	124.8 Å²	124.8	69%	0.692	63%	0.632	S	S	*	*	H	α-helix	trans	-78	-38.5	175.1	-73.6	-164.5	140	0	0	112.9	E1184 K1190	E1184-E1187 PolarHBondContact O-N 3.13Å; E1187-K1190 PolarHBondContact O-N 3.3Å
1188	K	50.6	Low	46.3	Very low	137 Å²	137	125.8 Å²	125.8	60%	0.596	64%	0.639	S	S	*	*	H	α-helix	trans	-64.9	-41.7	179.1	-73.8	174.6	-178.8	158.3	0	112.7	E1184 K1190 N1191	E1184-K1188 PolarHBondContact O-N 2.95Å; E1184-K1188 IonicContact OE2-NZ 3.3Å; K1188-K1190 PolarHBondContact O-N 2.65Å; K1188-N1191 PolarHBondContact O-N 3.05Å
1189	L	47.3	Very low	45.3	Very low	151 Å²	151	132.4 Å²	132.4	79%	0.791	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-2.7	-178.7	-78.4	166	0	0	0	115.4
1190	K	47.8	Very low	44.2	Very low	168 Å²	168	133.4 Å²	133.4	73%	0.73	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-7.9	178.2	-79.5	179.8	176.9	172.2	0	115.1	E1187 K1188	E1187-K1190 PolarHBondContact O-N 3.3Å; K1188-K1190 PolarHBondContact O-N 2.65Å
1191	N	47	Very low	43.1	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	67%	0.674	S	S	*	*	S	Bend	trans	-110.2	-12.8	-167.4	-73.2	-21.2	0	0	0	116.1	K1188	K1188-N1191 PolarHBondContact O-N 3.05Å
1192	D	45.2	Very low	42.1	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	69%	0.687	S	S	*	*			trans	-100.9	0.2	-163.7	-70.8	-17.4	0	0	0	116.4
1193	D	35.5	Very low	41.2	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	70%	0.701	S	S	*	*			trans	-101.2	69.9	-178.4	-85.7	-32.3	0	0	0	113.8
1194	I	38.5	Very low	40.3	Very low	143 Å²	143	142.3 Å²	142.3	73%	0.733	72%	0.715	S	S	*	*			trans	-159.4	135.8	164.1	-94.3	133.9	0	0	0	110.7
1195	H	35.6	Very low	39.4	Very low	171 Å²	171	143 Å²	143	79%	0.792	73%	0.728	S	S	*	*			trans	71.1	137.8	174.8	-66.1	-43.2	0	0	0	116.9
1196	T	33.8	Very low	38.4	Very low	105 Å²	105	145.5 Å²	145.5	64%	0.644	75%	0.745	S	S	*	*			cis	-165.1	153.9	7.6	7.9	0	0	0	0	114
1197	H	35.9	Very low	37.4	Very low	152 Å²	152	147.6 Å²	147.6	70%	0.704	76%	0.76	S	S	*	*			trans	42.7	114.5	152.3	-65	-64.8	0	0	0	121.8
1198	E	28.2	Very low	36.5	Very low	164 Å²	164	150.5 Å²	150.5	77%	0.766	77%	0.771	S	S	*	*				79.2	109.5	75	-80.7	-169.6	129.2	0	0	117.4
1199	K	33.4	Very low	35.4	Very low	195 Å²	195	155.9 Å²	155.9	85%	0.848	79%	0.787	S	S	*	*				-179	147.6	115.8	-101.8	168.5	-175.2	172.7	0	115.5
1200	Q	34.3	Very low	34.6	Very low	171 Å²	171	158.6 Å²	158.6	80%	0.799	79%	0.793	S	S	*	*			trans	80.3	85.5	158.5	-71.4	176.1	-18.6	0	0	121.3
1201	T	33.3	Very low	33.6	Very low	115 Å²	115	156 Å²	156	71%	0.706	80%	0.795	S	S	*	*				56.8	106.8	125.9	53.4	0	0	0	0	120
1202	H	33.1	Very low	32.7	Very low	166 Å²	166	154.4 Å²	154.4	77%	0.769	80%	0.795	S	S	*	*				72.7	128.3	82.2	-76.9	-68.2	0	0	0	113.7
1203	D	31.5	Very low	31.7	Very low	127 Å²	127	154.8 Å²	154.8	68%	0.679	80%	0.797	S	S	*	*			cis	-143.8	148.4	5.3	-94.8	-43.8	0	0	0	111.2
1204	N	31.7	Very low	31.3	Very low	169 Å²	169	157.7 Å²	157.7	90%	0.904	80%	0.798	S	S	*	*			trans	-155.7	105	164	-112.5	-28	0	0	0	110.9
1205	T	33.3	Very low	30.7	Very low	139 Å²	139	155.5 Å²	155.5	85%	0.853	80%	0.795	S	S	*	*			trans	-91	112.2	-178.3	47.6	0	0	0	0	112.3
1206	S	29.3	Very low	30.2	Very low	113 Å²	113	152.6 Å²	152.6	79%	0.79	79%	0.789	S	S	*	*			trans	-115	128.5	168.7	54.1	0	0	0	0	111.2
1207	P	32.2	Very low	29.8	Very low	129 Å²	129	155.2 Å²	155.2	84%	0.838	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-85.6	141.8	-176	31.9	-33.6	0	0	0	113.4
1208	K	28.8	Very low	29.3	Very low	209 Å²	209	155.1 Å²	155.1	91%	0.909	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-52.1	128.4	-176.4	-61.8	171.3	176.8	176.7	0	114.2
1209	R	27.3	Very low	29.3	Very low	249 Å²	249	153 Å²	153	94%	0.94	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-88.1	138.4	153.9	-87.4	-176.3	170.5	170.4	-1.9	110
1210	K	30.1	Very low	29	Very low	209 Å²	209	147.6 Å²	147.6	91%	0.909	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.4	135.4	170.3	-71	-179.3	175.1	179.8	0	109.6
1211	S	26.6	Very low	28.6	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.9	134	168.8	49.7	0	0	0	0	111
1212	S	28.5	Very low	28.4	Very low	103 Å²	103	149.9 Å²	149.9	72%	0.72	80%	0.797	S	S	*	*			trans	-115.1	116.3	167.6	54.3	0	0	0	0	109.6
1213	N	24	Very low	28.4	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	80%	0.8	S	S	*	*			trans	-65.6	135.1	177.3	-61.4	-15.5	0	0	0	110.7
1214	Y	27.4	Very low	28.3	Very low	220 Å²	220	149.7 Å²	149.7	86%	0.863	81%	0.811	S	S	*	*			trans	-133.9	111.6	156.8	-90.6	-79.1	0	0	0	109.6
1215	S	25.6	Very low	28.3	Very low	97 Å²	97	150.1 Å²	150.1	68%	0.678	81%	0.808	S	S	*	*			trans	-77.5	131.6	173.1	48.7	0	0	0	0	110.6	H1217	S1215-H1217 PolarHBondContact O-N 3.37Å
1216	V	26.4	Very low	28.2	Very low	109 Å²	109	149.8 Å²	149.8	66%	0.661	81%	0.808	S	S	*	*			trans	-84.3	110.1	169.6	-179.6	0	0	0	0	108.6	F1218	V1216-F1218 HydrophobicContact CG1-CD2 4.08Å; V1216-F1218 HydrophobicContact CG1-CE2 3.88Å
1217	H	25.4	Very low	28.4	Very low	161 Å²	161	151.1 Å²	151.1	75%	0.745	81%	0.812	S	S	*	*			trans	-85.3	119.5	167.9	-95.8	-76.7	0	0	0	109.7	S1215	S1215-H1217 PolarHBondContact O-N 3.37Å
1218	F	25.4	Very low	28.4	Very low	149 Å²	149	148.2 Å²	148.2	65%	0.654	81%	0.805	S	S	*	*			trans	-91.8	123.3	158	-78.8	-88.6	0	0	0	108.7	I1010 V1216	I1010-F1218 HydrophobicContact CG2-CE1 4.21Å; V1216-F1218 HydrophobicContact CG1-CD2 4.08Å; V1216-F1218 HydrophobicContact CG1-CE2 3.88Å
1219	T	27	Very low	28.5	Very low	120 Å²	120	143.4 Å²	143.4	74%	0.736	80%	0.798	S	S	*	*			trans	-123.6	92.4	169.9	51.4	0	0	0	0	109
1220	G	27.6	Very low	28.7	Very low	82 Å²	82	136.5 Å²	136.5	85%	0.845	79%	0.787	S	S	*	*			trans	-93.9	97.3	165.4	0	0	0	0	0	109.5
1221	E	27.1	Very low	28.8	Very low	184 Å²	184	134 Å²	134	86%	0.86	78%	0.779	S	S	*	*			trans	-87.2	120	172.1	-71.8	-174.7	153	0	0	110.4
1222	N	28.5	Very low	29	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	77%	0.774	S	S	*	*			trans	-142.3	89.2	168.4	-99.7	-30.2	0	0	0	108.3
1223	S	32.7	Very low	29.1	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	78%	0.779	S	S	*	*			trans	-172.5	92.6	156.8	56.8	0	0	0	0	112.1	Q1225	S1223-Q1225 PolarHBondContact O-N 3.39Å
1224	D	30	Very low	29.5	Very low	172 Å²	172	135.5 Å²	135.5	92%	0.92	77%	0.771	S	S	*	*			trans	-81.8	101.2	157.6	-86.5	-44.1	0	0	0	109.2
1225	Q	30.8	Very low	29.7	Very low	178 Å²	178	133.9 Å²	133.9	83%	0.832	76%	0.763	S	S	*	*			trans	-136.7	124.2	151.6	-83.3	-161.8	-11.3	0	0	109.5	S1223 T1227	S1223-Q1225 PolarHBondContact O-N 3.39Å; Q1225-T1227 PolarHBondContact O-N 3.22Å
1226	P	32.6	Very low	30	Very low	132 Å²	132	136.5 Å²	136.5	86%	0.857	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-80.5	122.3	-175	31.1	-33.2	0	0	0	111.1
1227	T	32.3	Very low	30.2	Very low	141 Å²	141	141.5 Å²	141.5	87%	0.865	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-101.2	141.3	165.1	45.8	0	0	0	0	110.7	Q1225	Q1225-T1227 PolarHBondContact O-N 3.22Å
1228	G	31.6	Very low	30.5	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.8	139.1	-173.5	0	0	0	0	0	113.9
1229	S	31.1	Very low	30.9	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	78%	0.784	S	S	*	*			trans	57.6	121.3	136.5	62.9	0	0	0	0	121.3
1230	S	31.1	Very low	31.2	Very low	103 Å²	103	140 Å²	140	72%	0.72	78%	0.78	S	S	*	*			trans	79	140.1	134.8	-62.3	0	0	0	0	118
1231	Q	32.8	Very low	31.4	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.734	78%	0.775	S	S	*	*			cis	-162.3	144.3	8.6	-122.1	171	19.2	0	0	113.5
1232	N	30.5	Very low	31.5	Very low	129 Å²	129	144.1 Å²	144.1	69%	0.69	78%	0.775	S	S	*	*			trans	77.2	153	141.4	-67.8	-19.4	0	0	0	124.5
1233	T	31.8	Very low	31.7	Very low	133 Å²	133	148.3 Å²	148.3	82%	0.816	78%	0.78	S	S	*	*			trans	74.4	127.4	176.6	63.5	0	0	0	0	116.6
1234	E	32.3	Very low	31.5	Very low	135 Å²	135	152.5 Å²	152.5	63%	0.631	78%	0.784	S	S	*	*			cis	-154.2	145.9	-2.4	-116.6	-169.6	167.6	0	0	114
1235	R	31.3	Very low	31.6	Very low	186 Å²	186	149.7 Å²	149.7	70%	0.702	78%	0.777	S	S	*	*			trans	51	101.3	143	-73.3	173.6	173.8	140.9	4.8	122.2
1236	N	32.6	Very low	31.6	Very low	153 Å²	153	146.2 Å²	146.2	82%	0.818	77%	0.773	S	S	*	*				159.1	117.7	90	-88.7	-17.9	0	0	0	113.2
1237	K	29.3	Very low	31.6	Very low	213 Å²	213	150.4 Å²	150.4	93%	0.926	78%	0.777	S	S	*	*			trans	-152.2	113.2	168.6	-118.8	-177.6	-174.8	175	0	112.3
1238	T	32.7	Very low	31.5	Very low	133 Å²	133	147 Å²	147	82%	0.816	77%	0.77	S	S	*	*			trans	-152.6	141.2	160.3	44.2	0	0	0	0	104.4
1239	D	33.1	Very low	31.9	Very low	114 Å²	114	150 Å²	150	61%	0.61	78%	0.777	S	S	*	*			cis	-161.1	152.7	34.3	-144.4	10.2	0	0	0	113.1
1240	K	34.3	Very low	32	Very low	153 Å²	153	152.9 Å²	152.9	67%	0.665	78%	0.784	S	S	*	*			trans	45.6	111.8	142.4	-74.3	173.9	-163.4	85.5	0	124.7
1241	T	32	Very low	32.2	Very low	119 Å²	119	153 Å²	153	73%	0.73	78%	0.781	S	S	*	*				75	128.1	117.9	63.5	0	0	0	0	125.8
1242	R	28.2	Very low	32.6	Very low	232 Å²	232	151.3 Å²	151.3	88%	0.875	78%	0.784	S	S	*	*			trans	62.4	109.7	130.6	-78	-178.5	156.6	178.7	-4.8	122.5
1243	R	31.7	Very low	32.7	Very low	239 Å²	239	151.6 Å²	151.6	90%	0.902	79%	0.79	S	S	*	*				149.1	108.5	122.2	-85	169.1	172.9	170.1	-2.8	108.8
1244	K	29.6	Very low	32.6	Very low	205 Å²	205	152.2 Å²	152.2	89%	0.891	79%	0.789	S	S	*	*				44.6	97	78.7	-84.2	-162.8	176.1	-173.6	0	115.6
1245	S	31.5	Very low	32.6	Very low	113 Å²	113	153.1 Å²	153.1	79%	0.79	80%	0.797	S	S	*	*				179.8	146.7	126.6	51.6	0	0	0	0	113.5
1246	S	32.2	Very low	32.7	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	80%	0.802	S	S	*	*			trans	46.7	107.5	160.4	52.7	0	0	0	0	119.2
1247	K	31.6	Very low	32.7	Very low	219 Å²	219	151.2 Å²	151.2	95%	0.952	80%	0.801	S	S	*	*				58.6	110	75.8	-75.7	-165	173.5	-173.4	0	114.8
1248	G	30.6	Very low	32.9	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	79%	0.793	S	S	*	*			trans	159.2	108.6	166.6	0	0	0	0	0	110.8
1249	P	39.4	Very low	32.9	Very low	131 Å²	131	148.5 Å²	148.5	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-78.9	130.6	179	31.1	-32	0	0	0	110.9
1250	L	33.9	Very low	32.9	Very low	170 Å²	170	150.8 Å²	150.8	89%	0.89	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.3	137.2	166.9	-81.9	159.2	0	0	0	109.6
1251	P	35.1	Very low	32.8	Very low	104 Å²	104	150.6 Å²	150.6	68%	0.675	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-75.4	159.4	178.5	32.6	-35.4	0	0	0	111.7
1252	P	40.6	Very low	32.9	Very low	122 Å²	122	153.1 Å²	153.1	79%	0.792	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-64.7	140.1	176.7	27.3	-34.4	0	0	0	112.1
1253	V	32.4	Very low	33.3	Very low	135 Å²	135	146.5 Å²	146.5	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.3	133.5	175.5	176.1	0	0	0	0	110.2
1254	N	30.6	Very low	33.4	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	81%	0.808	S	S	*	*			trans	-150.9	0	-174.6	-136	14	0	0	0	112.5	M1 I4	M1-N1254 WeakPolarHBondContact CA-O 3.27Å; M1-N1254 WeakPolarHBondContact CG-O 3.31Å; M1-N1254 PolarHBondContact N-O 2.82Å; M1-N1254 PolarHBondContact N-OXT 3.49Å; M1-N1254 VanDerWaalsContact N-OXT 3.07Å; I4-N1254 HydrophobicContact CD1-CB 3.94Å

Retrieved 1,254 of 1,254 residues in 1595.5 ms (Link to these results)

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