A0A077Z658_TRITR Loading...

ATG11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z658, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,134 aa.

						>A0A077Z658_TRITR|A0A077Z658
MLHVFHLNVGRQLNLDVSYSAQPVDRLQEELERRTNIPKSDQILLISGGIVLSPGKCLSGYTSAGSESNPIFLVSRLKASEHREKHQKCEEEFQPMTQVSGRMISLVFVIYALSSLGQVLLQLTLELEKDLSNLTRQPFSVENAAIFPQLAEKVEAASQRLADVCLELVAEQHNIYQGWCSVVANLDDTIGAFHRHIRKFCRKRDWLAQSRQAIEDMLEKLPHYLELIKRLPLVRPLVEANPLAESRCRAASGDSSSSDGSSSNTPAPSLLSWISGTDEEMDVNELGSKIVTDLNVVLENSVLVTFEQCEDFTASRLRDVQMKEIRGITQRFTQLNNYVQKMSRLKVDQSHFAECVCMHQQKLSSCGDRAVQNDIYAGMGCFLVEMVKNQKWMLDVAKRFGLAKLELLENIRRRLEWVISTHEYIHAADTEVFVQRERVAVLIRRLELMKQLRVAPYLYAQAVAEIKRRQALRRQFMEWAKQVSARSSRLFVDETKHRKALAARLDSHFLCSLFQCLEKTFPAFALEPPEPFDCNLPCIEYEHLEQIHLAMPELSSCLRLSHGIHSLAESSSPSKADVRAPRVSFYSSTPPGEEQRMSSGSPCFFHSTENLPFCGGSSFGSLSYKTNSDVDLSANEQVKAADETDSPADTSLAFQRSAPISIPSVRQSNQSLFPRLPSSMSSCGSGSLPQAERFFGTQQYDVLFDGSDSVGRSFDLHPLSPDFISVSPFPGELHESLLPPVDSAKASDSVLLSKQAHLLQELSGTTAELVKAKEEIVSMQTRLDRWAATGSQLKDLLCSCRKRMGDELSDLAFSLNSMNDLLAQNVTRAQSKLIESVQKHDDAVIPIERIKEPSTFHPAISSASCYYASRSDCHLHEYGLDVDSDRRAAQSDQAQMVLFKNSRLNLDSLKDDLQPYTSPPIDGQFCIEDVDSLRQLYLVKLAELKDLSERLKPFSFHRMATPPFALSTSESGTFSPDNVHETELLSPGMPSFLDETDLRSIVKCCVDTLIENVSADPLHKFASVMSVGCTQTDIDYRISVVTIEPGEVVLVIYEPTMATFVIFCLPKVSYVLTESSIRRLGLSRQTADLCKWTFGRVIKKQLCQTKKSSNRYNLPVGAKFYRVSVEPIDGAIAS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	83.4	Confident	89.6	Confident	139 Å²	139	36.4 Å²	36.4	69%	0.685	17%	0.166	S	C	*	.				0	165.9	0	-71.1	177.1	-77.2	0	0	107.8	H3 N14 V17	M1-H3 PolarHBondContact O-CD2 3.34Å; M1-N14 HydrophobicContact SD-CB 3.98Å; M1-V17 VanDerWaalsContact CA-CG2 3.45Å
2	L	91.2	Very high	89.5	Confident	2 Å²	2	37 Å²	37	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.8	168.2	178.5	72.7	0	0	0	108.7	L15 D16 L27 L58 I71	L2-L15 HydrophobicContact CB-CB 4.11Å; L2-L15 HydrophobicContact CD2-CB 4.33Å; L2-L15 HydrophobicContact CD2-CD1 4.29Å; L2-L15 PolarHBondContact N-O 3.04Å; L2-L15 PolarHBondContact O-N 2.9Å; L2-D16 WeakPolarHBondContact CB-O 3.49Å; L2-L27 HydrophobicContact CD2-CD1 4.02Å; L2-L58 HydrophobicContact CD1-CD2 3.78Å; L2-L58 HydrophobicContact CD2-CD2 3.76Å; L2-L58 HydrophobicContact CG-CD2 4.45Å; L2-I71 HydrophobicContact CD1-CD1 4.14Å
3	H	92.5	Very high	89.5	Confident	26 Å²	26	36.5 Å²	36.5	12%	0.12	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.9	-172.7	-65.5	-82.5	0	0	0	111.1	M1 N14 G65 P70 I71	M1-H3 PolarHBondContact O-CD2 3.34Å; H3-N14 PolarHBondContact ND1-OD1 3.19Å; H3-G65 PolarHBondContact N-O 2.58Å; H3-G65 WeakPolarHBondContact O-CA 3.25Å; H3-P70 HydrophobicContact CB-CB 4.14Å; H3-P70 WeakPolarHBondContact O-CA 3.28Å; H3-I71 PolarHBondContact O-N 2.92Å
4	V	93.6	Very high	89.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.8	173.4	-174.9	0	0	0	0	109.3	Q12 L13 L15 L27 L31 I71 L73	V4-Q12 PolarHBondContact O-NE2 3.39Å; V4-Q12 VanDerWaalsContact O-NE2 3.17Å; V4-L13 HydrophobicContact CB-CB 4.36Å; V4-L13 PolarHBondContact N-O 3.48Å; V4-L13 WeakPolarHBondContact O-CA 3.3Å; V4-L13 WeakPolarHBondContact O-CB 3.23Å; V4-L13 PolarHBondContact O-N 2.72Å; V4-L15 HydrophobicContact CG2-CD1 3.69Å; V4-L15 HydrophobicContact CG2-CG 4.34Å; V4-L27 HydrophobicContact CG2-CD1 4.29Å; V4-L31 HydrophobicContact CB-CD2 4.37Å; V4-L31 HydrophobicContact CG1-CD1 4.18Å; V4-L31 HydrophobicContact CG1-CD2 3.99Å; V4-L31 HydrophobicContact CG2-CD2 4.43Å; V4-I71 CarbonylContact C-O 3.59Å; V4-I71 VanDerWaalsContact CA-O 3.25Å; V4-I71 WeakPolarHBondContact CA-O 3.49Å; V4-I71 HydrophobicContact CG1-CB 4.4Å; V4-I71 HydrophobicContact CG1-CG2 4.48Å; V4-I71 WeakPolarHBondContact CG1-O 3.5Å; V4-I71 HydrophobicContact CG2-CB 4.27Å; V4-I71 HydrophobicContact CG2-CD1 4.47Å; V4-L73 HydrophobicContact CG1-CB 4.01Å
5	F	93.1	Very high	89.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.9	179.3	-166.9	-99	0	0	0	110.7	L7 G10 Q12 P70 I71 F72 L73 E171 N174 I175	F5-L7 HydrophobicContact CE1-CD1 4.35Å; F5-L7 PolarHBondContact O-N 2.77Å; F5-G10 VanDerWaalsContact CZ-C 3.44Å; F5-Q12 HydrophobicContact CD2-CB 4.16Å; F5-P70 HydrophobicContact CB-CB 4.17Å; F5-P70 HydrophobicContact CB-CG 4.29Å; F5-I71 PolarHBondContact N-O 3.49Å; F5-F72 HydrophobicContact CB-CD1 4.01Å; F5-F72 HydrophobicContact CB-CE1 4.24Å; F5-F72 HydrophobicContact CD1-CD1 4.17Å; F5-F72 HydrophobicContact CD1-CE1 4.38Å; F5-F72 WeakPolarHBondContact O-CA 3.45Å; F5-L73 PolarHBondContact O-N 2.89Å; F5-E171 HydrophobicContact CE2-CB 4.39Å; F5-E171 HydrophobicContact CE2-CG 4.34Å; F5-E171 HydrophobicContact CZ-CB 4.49Å; F5-N174 HydrophobicContact CD1-CB 3.97Å; F5-N174 HydrophobicContact CD2-CB 3.69Å; F5-N174 HydrophobicContact CE1-CB 3.91Å; F5-N174 HydrophobicContact CE2-CB 3.64Å; F5-N174 HydrophobicContact CG-CB 3.86Å; F5-N174 HydrophobicContact CZ-CB 3.75Å; F5-I175 HydrophobicContact CE1-CB 4.43Å; F5-I175 HydrophobicContact CE1-CG1 3.67Å; F5-I175 HydrophobicContact CZ-CG1 3.71Å
6	H	92.4	Very high	89.6	Confident	17 Å²	17	40.4 Å²	40.4	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	104	179	-175.8	-171.5	0	0	0	109.9	V9 G10 R11 L13 L73	H6-V9 VanDerWaalsContact CE1-CG2 3.44Å; H6-V9 WeakPolarHBondContact CE1-CG2 3.42Å; H6-V9 PolarHBondContact O-N 3.37Å; H6-G10 WeakPolarHBondContact O-CA 3.39Å; H6-G10 PolarHBondContact O-N 2.9Å; H6-R11 PolarHBondContact N-O 2.98Å; H6-R11 PolarHBondContact O-N 3.13Å; H6-L13 HydrophobicContact CB-CD1 4.5Å; H6-L73 HydrophobicContact CB-CD2 4.45Å
7	L	91.8	Very high	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-39.2	-168.3	-171.6	59.5	0	0	0	113.2	F5 V9 G10 L73 V74 I175 V182 L408 I411 L415	F5-L7 HydrophobicContact CE1-CD1 4.35Å; F5-L7 PolarHBondContact O-N 2.77Å; L7-V9 PolarHBondContact O-N 3.35Å; L7-G10 PolarHBondContact O-N 3.3Å; L7-L73 PolarHBondContact N-O 3.27Å; L7-V74 HydrophobicContact CB-CG2 4.19Å; L7-V74 HydrophobicContact CD2-CG2 3.94Å; L7-I175 HydrophobicContact CD1-CG2 4.33Å; L7-I175 WeakPolarHBondContact CD1-O 3.26Å; L7-V182 HydrophobicContact CD2-CG2 3.92Å; L7-L408 VanDerWaalsContact O-CD1 3.3Å; L7-L408 WeakPolarHBondContact O-CD1 3.43Å; L7-I411 HydrophobicContact CD1-CG2 4.27Å; L7-I411 HydrophobicContact CD2-CG2 4.43Å; L7-I411 HydrophobicContact CG-CG2 4.1Å; L7-L415 HydrophobicContact CD2-CD1 4.43Å; L7-L415 HydrophobicContact CD2-CD2 4.15Å; L7-L415 HydrophobicContact CG-CD1 4.37Å
8	N	87.9	Confident	89.5	Confident	13 Å²	13	43.2 Å²	43.2	7%	0.07	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.4	179.5	-58.7	52.1	0	0	0	113.2	V74 S75 R412	N8-V74 WeakPolarHBondContact OD1-CA 3.28Å; N8-S75 PolarHBondContact ND2-O 3.16Å; N8-S75 VanDerWaalsContact ND2-O 3.16Å; N8-S75 PolarHBondContact OD1-N 2.85Å; N8-R412 PolarHBondContact O-NE 3.16Å; N8-R412 PolarHBondContact O-NH2 3.08Å; N8-R412 VanDerWaalsContact O-NH2 3.13Å
9	V	86.3	Confident	89.4	Confident	41 Å²	41	43.3 Å²	43.3	25%	0.248	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-18.4	-178.5	-178.3	0	0	0	0	112.2	H6 L7 R11 L408	H6-V9 VanDerWaalsContact CE1-CG2 3.44Å; H6-V9 WeakPolarHBondContact CE1-CG2 3.42Å; H6-V9 PolarHBondContact O-N 3.37Å; L7-V9 PolarHBondContact O-N 3.35Å; V9-R11 HydrophobicContact CG1-CB 4.27Å; V9-L408 VanDerWaalsContact O-CD2 3.27Å; V9-L408 WeakPolarHBondContact O-CD2 3.19Å
10	G	86.7	Confident	89.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	44.4	-178.1	0	0	0	0	0	112.8	F5 H6 L7 K404	F5-G10 VanDerWaalsContact CZ-C 3.44Å; H6-G10 WeakPolarHBondContact O-CA 3.39Å; H6-G10 PolarHBondContact O-N 2.9Å; L7-G10 PolarHBondContact O-N 3.3Å; G10-K404 WeakPolarHBondContact O-CE 3.13Å; G10-K404 PolarHBondContact O-NZ 2.98Å
11	R	86.5	Confident	89	Confident	162 Å²	162	44.4 Å²	44.4	61%	0.611	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.6	-176.7	-174.6	177.7	-178.7	-179.7	2.8	112.1	H6 V9	H6-R11 PolarHBondContact N-O 2.98Å; H6-R11 PolarHBondContact O-N 3.13Å; V9-R11 HydrophobicContact CG1-CB 4.27Å
12	Q	88.4	Confident	89.3	Confident	44 Å²	44	40.7 Å²	40.7	21%	0.206	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.1	171.5	-172	60.5	51.6	0	0	111.5	V4 F5	V4-Q12 PolarHBondContact O-NE2 3.39Å; V4-Q12 VanDerWaalsContact O-NE2 3.17Å; F5-Q12 HydrophobicContact CD2-CB 4.16Å
13	L	89.5	Confident	89.3	Confident	30 Å²	30	42.9 Å²	42.9	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.3	166.6	-56.4	175	0	0	0	108.5	V4 H6 L31 T35	V4-L13 HydrophobicContact CB-CB 4.36Å; V4-L13 PolarHBondContact N-O 3.48Å; V4-L13 WeakPolarHBondContact O-CA 3.3Å; V4-L13 WeakPolarHBondContact O-CB 3.23Å; V4-L13 PolarHBondContact O-N 2.72Å; H6-L13 HydrophobicContact CB-CD1 4.5Å; L13-L31 HydrophobicContact CD1-CD2 3.95Å; L13-T35 HydrophobicContact CD1-CG2 3.72Å
14	N	91.1	Very high	89.3	Confident	71 Å²	71	41.6 Å²	41.6	38%	0.38	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119	175.2	-65.4	-28.3	0	0	0	108.7	M1 H3 R34	M1-N14 HydrophobicContact SD-CB 3.98Å; H3-N14 PolarHBondContact ND1-OD1 3.19Å; N14-R34 PolarHBondContact O-NH1 3.22Å
15	L	90.8	Very high	89.2	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	165.9	178.7	-57.3	-178.2	0	0	0	110.1	L2 V4 Y19 L27 E30 L31	L2-L15 HydrophobicContact CB-CB 4.11Å; L2-L15 HydrophobicContact CD2-CB 4.33Å; L2-L15 HydrophobicContact CD2-CD1 4.29Å; L2-L15 PolarHBondContact N-O 3.04Å; L2-L15 PolarHBondContact O-N 2.9Å; V4-L15 HydrophobicContact CG2-CD1 3.69Å; V4-L15 HydrophobicContact CG2-CG 4.34Å; L15-Y19 HydrophobicContact CB-CD2 4.35Å; L15-L27 HydrophobicContact CD1-CD1 3.21Å; L15-E30 HydrophobicContact CD2-CG 4.04Å; L15-L31 HydrophobicContact CD1-CD2 4.12Å
16	D	89.1	Confident	89.2	Confident	96 Å²	96	50.4 Å²	50.4	51%	0.513	27%	0.265	S	S	.	.			trans	-66.5	146.6	173.1	-173.6	11.2	0	0	0	110.8	L2 S18 Y19	L2-D16 WeakPolarHBondContact CB-O 3.49Å; D16-S18 PolarHBondContact O-N 2.89Å; D16-S18 PolarHBondContact OD1-N 3.17Å; D16-S18 VanDerWaalsContact OD2-CB 3.24Å; D16-S18 WeakPolarHBondContact OD2-CB 3.12Å; D16-S18 PolarHBondContact OD2-OG 3.34Å; D16-Y19 HydrophobicContact CB-CD2 4.18Å; D16-Y19 HydrophobicContact CB-CE2 4.22Å; D16-Y19 WeakPolarHBondContact O-CD2 3.41Å; D16-Y19 PolarHBondContact O-N 3.02Å
17	V	88.4	Confident	89.2	Confident	79 Å²	79	49.7 Å²	49.7	48%	0.479	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19.8	176	-175.7	0	0	0	0	111	M1 Y19 S20	M1-V17 VanDerWaalsContact CA-CG2 3.45Å; V17-Y19 PolarHBondContact O-N 2.94Å; V17-Y19 VanDerWaalsContact O-N 3.14Å; V17-S20 VanDerWaalsContact O-CB 3.24Å; V17-S20 WeakPolarHBondContact O-CB 3.47Å; V17-S20 PolarHBondContact O-N 3.05Å; V17-S20 PolarHBondContact O-OG 3.09Å
18	S	88.1	Confident	89.3	Confident	53 Å²	53	50.5 Å²	50.5	37%	0.371	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-57.1	-25.9	176.3	64.4	0	0	0	0	114.3	D16 S20 A21 Q22	D16-S18 PolarHBondContact O-N 2.89Å; D16-S18 PolarHBondContact OD1-N 3.17Å; D16-S18 VanDerWaalsContact OD2-CB 3.24Å; D16-S18 WeakPolarHBondContact OD2-CB 3.12Å; D16-S18 PolarHBondContact OD2-OG 3.34Å; S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 3Å; S18-A21 PolarHBondContact O-N 3.44Å; S18-Q22 PolarHBondContact O-NE2 3.44Å
19	Y	88.2	Confident	89.5	Confident	44 Å²	44	53.2 Å²	53.2	17%	0.173	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-69.6	-21.3	174	-67.8	-80.2	0	0	0	113.1	L15 D16 V17 A21 Q22 E30	L15-Y19 HydrophobicContact CB-CD2 4.35Å; D16-Y19 HydrophobicContact CB-CD2 4.18Å; D16-Y19 HydrophobicContact CB-CE2 4.22Å; D16-Y19 WeakPolarHBondContact O-CD2 3.41Å; D16-Y19 PolarHBondContact O-N 3.02Å; V17-Y19 PolarHBondContact O-N 2.94Å; V17-Y19 VanDerWaalsContact O-N 3.14Å; Y19-A21 PolarHBondContact O-N 2.74Å; Y19-Q22 PolarHBondContact O-N 3.49Å; Y19-Q22 VanDerWaalsContact O-N 3.1Å; Y19-E30 HydrophobicContact CE1-CB 3.81Å; Y19-E30 HydrophobicContact CE1-CG 4.22Å; Y19-E30 HydrophobicContact CE2-CG 4.06Å; Y19-E30 WeakPolarHBondContact OH-CG 3.46Å
20	S	85.2	Confident	89.8	Confident	33 Å²	33	52 Å²	52	23%	0.231	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.6	-24.9	176.6	-58	0	0	0	0	113.6	V17 S18 S59	V17-S20 VanDerWaalsContact O-CB 3.24Å; V17-S20 WeakPolarHBondContact O-CB 3.47Å; V17-S20 PolarHBondContact O-N 3.05Å; V17-S20 PolarHBondContact O-OG 3.09Å; S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 3Å; S20-S59 WeakPolarHBondContact O-CB 3.4Å; S20-S59 PolarHBondContact O-N 3.45Å
21	A	85.4	Confident	90.1	Very high	77 Å²	77	52 Å²	52	64%	0.636	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-92	-0.1	177.3	0	0	0	0	0	113.7	S18 Y19	S18-A21 PolarHBondContact O-N 3.44Å; Y19-A21 PolarHBondContact O-N 2.74Å
22	Q	88.9	Confident	90.3	Very high	62 Å²	62	47.7 Å²	47.7	29%	0.29	26%	0.256	S	S	.	.	S	Bend	trans	-106.9	160.3	-173.5	-66.2	-178.7	46.8	0	0	111.7	S18 Y19 R26 C57 L58	S18-Q22 PolarHBondContact O-NE2 3.44Å; Y19-Q22 PolarHBondContact O-N 3.49Å; Y19-Q22 VanDerWaalsContact O-N 3.1Å; Q22-R26 HydrophobicContact CB-CB 4.19Å; Q22-R26 HydrophobicContact CB-CG 4.44Å; Q22-C57 WeakPolarHBondContact O-CA 3.43Å; Q22-L58 PolarHBondContact O-N 2.81Å
23	P	91.5	Very high	90.4	Very high	47 Å²	47	53.6 Å²	53.6	31%	0.305	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-62	146.8	167.8	26.9	-34.3	0	0	0	111	D25 R26 K56	P23-D25 PolarHBondContact O-N 2.89Å; P23-D25 VanDerWaalsContact O-N 3.14Å; P23-R26 HydrophobicContact CG-CG 4.15Å; P23-R26 WeakPolarHBondContact O-CB 3.37Å; P23-R26 PolarHBondContact O-N 3.34Å; P23-K56 WeakPolarHBondContact CA-O 3.29Å
24	V	91.9	Very high	90.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-28.4	-179.6	169.5	0	0	0	0	112.4	R26 L27 Q28 L44 L52 P54 K56 L58 Y61	V24-R26 PolarHBondContact O-N 2.94Å; V24-L27 WeakPolarHBondContact O-CA 3.32Å; V24-L27 WeakPolarHBondContact O-CB 3.5Å; V24-L27 PolarHBondContact O-N 2.87Å; V24-Q28 HydrophobicContact CG1-CG 4.23Å; V24-Q28 WeakPolarHBondContact O-CG 3.46Å; V24-Q28 PolarHBondContact O-N 3.44Å; V24-L44 HydrophobicContact CG1-CD1 3.89Å; V24-L52 HydrophobicContact CG1-CB 3.87Å; V24-L52 HydrophobicContact CG2-CB 3.99Å; V24-L52 HydrophobicContact CG2-CD1 4.39Å; V24-P54 CarbonylContact C-O 3.48Å; V24-P54 WeakPolarHBondContact CA-O 3.37Å; V24-P54 WeakPolarHBondContact CB-O 3.44Å; V24-P54 PolarHBondContact N-O 3.48Å; V24-K56 WeakPolarHBondContact CG2-O 3.46Å; V24-K56 PolarHBondContact N-O 3.41Å; V24-K56 VanDerWaalsContact N-O 3.1Å; V24-L58 HydrophobicContact CG2-CD1 4.36Å; V24-Y61 HydrophobicContact CG2-CE2 4.45Å
25	D	92.5	Very high	90	Very high	58 Å²	58	55.6 Å²	55.6	31%	0.31	28%	0.28	S	S	.	.	H	α-helix	trans	-48.1	-42.4	169.8	-82.6	-64.9	0	0	0	113.5	P23 Q28 E29 P54 G55	P23-D25 PolarHBondContact O-N 2.89Å; P23-D25 VanDerWaalsContact O-N 3.14Å; D25-Q28 PolarHBondContact O-N 2.86Å; D25-E29 WeakPolarHBondContact O-CG 3.42Å; D25-E29 PolarHBondContact O-N 3.38Å; D25-P54 VanDerWaalsContact CG-CB 3.45Å; D25-P54 PolarHBondContact N-O 3.34Å; D25-P54 VanDerWaalsContact OD1-CB 3.31Å; D25-P54 WeakPolarHBondContact OD1-CB 3.3Å; D25-P54 WeakPolarHBondContact OD2-CB 3.33Å; D25-P54 VanDerWaalsContact OD2-O 3.11Å; D25-G55 PolarHBondContact OD2-N 3.1Å
26	R	92.6	Very high	89.8	Confident	127 Å²	127	61.2 Å²	61.2	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-72.9	-31.4	179.2	-66.4	-58.4	-167.1	-174.3	-0.4	112.7	Q22 P23 V24 E29 E30	Q22-R26 HydrophobicContact CB-CB 4.19Å; Q22-R26 HydrophobicContact CB-CG 4.44Å; P23-R26 HydrophobicContact CG-CG 4.15Å; P23-R26 WeakPolarHBondContact O-CB 3.37Å; P23-R26 PolarHBondContact O-N 3.34Å; V24-R26 PolarHBondContact O-N 2.94Å; R26-E29 WeakPolarHBondContact CD-OE2 3.39Å; R26-E29 IonicContact CZ-OE2 2.76Å; R26-E29 IonicContact NE-OE2 3.7Å; R26-E29 IonicContact NH1-OE1 3.77Å; R26-E29 IonicContact NH1-OE2 3.7Å; R26-E29 PolarHBondContact NH1-OE2 3.25Å; R26-E30 PolarHBondContact O-N 3.47Å
27	L	92.6	Very high	89.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-42.3	170.8	173.6	62.4	0	0	0	110.2	L2 V4 L15 V24 E29 E30 L31 L44 L58 I71	L2-L27 HydrophobicContact CD2-CD1 4.02Å; V4-L27 HydrophobicContact CG2-CD1 4.29Å; L15-L27 HydrophobicContact CD1-CD1 3.21Å; V24-L27 WeakPolarHBondContact O-CA 3.32Å; V24-L27 WeakPolarHBondContact O-CB 3.5Å; V24-L27 PolarHBondContact O-N 2.87Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-E29 PolarHBondContact O-N 3.4Å; L27-E30 PolarHBondContact O-N 3.37Å; L27-L31 HydrophobicContact CD1-CD1 4.1Å; L27-L31 HydrophobicContact CD1-CG 4.12Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.4Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.38Å; L27-L44 HydrophobicContact CD2-CD1 4.12Å; L27-L44 HydrophobicContact CG-CD1 4.42Å; L27-L58 HydrophobicContact CD2-CD2 4.09Å; L27-I71 HydrophobicContact CD2-CD1 3.93Å
28	Q	93.8	Very high	89.6	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-34.6	178.1	-68.1	178.1	-79.3	0	0	112.6	V24 D25 L31 E32 K39 Q42 L44	V24-Q28 HydrophobicContact CG1-CG 4.23Å; V24-Q28 WeakPolarHBondContact O-CG 3.46Å; V24-Q28 PolarHBondContact O-N 3.44Å; D25-Q28 PolarHBondContact O-N 2.86Å; Q28-L31 PolarHBondContact O-N 3.24Å; Q28-E32 VanDerWaalsContact O-CB 3.26Å; Q28-E32 WeakPolarHBondContact O-CB 3.17Å; Q28-E32 PolarHBondContact O-N 3.36Å; Q28-K39 HydrophobicContact CB-CD 4.35Å; Q28-K39 HydrophobicContact CB-CG 4.18Å; Q28-Q42 PolarHBondContact O-NE2 2.96Å; Q28-Q42 PolarHBondContact O-OE1 3.44Å; Q28-L44 HydrophobicContact CG-CD1 3.7Å
29	E	93	Very high	89.7	Confident	70 Å²	70	55.7 Å²	55.7	33%	0.327	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-48	170.8	-71.6	169.5	-175.9	0	0	112.4	D25 R26 L27 L31 E32 R33 K39	D25-E29 WeakPolarHBondContact O-CG 3.42Å; D25-E29 PolarHBondContact O-N 3.38Å; R26-E29 WeakPolarHBondContact CD-OE2 3.39Å; R26-E29 IonicContact CZ-OE2 2.76Å; R26-E29 IonicContact NE-OE2 3.7Å; R26-E29 IonicContact NH1-OE1 3.77Å; R26-E29 IonicContact NH1-OE2 3.7Å; R26-E29 PolarHBondContact NH1-OE2 3.25Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-E29 PolarHBondContact O-N 3.4Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.04Å; E29-E32 PolarHBondContact O-N 3.16Å; E29-R33 WeakPolarHBondContact O-CB 3.37Å; E29-R33 PolarHBondContact O-N 3Å; E29-K39 IonicContact OE1-NZ 2.63Å; E29-K39 PolarHBondContact OE1-NZ 2.9Å
30	E	92.2	Very high	89.5	Confident	17 Å²	17	55.8 Å²	55.8	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-69.4	-33.1	179.5	177.5	64.7	179.2	0	0	112	L15 Y19 R26 L27 R33 R34	L15-E30 HydrophobicContact CD2-CG 4.04Å; Y19-E30 HydrophobicContact CE1-CB 3.81Å; Y19-E30 HydrophobicContact CE1-CG 4.22Å; Y19-E30 HydrophobicContact CE2-CG 4.06Å; Y19-E30 WeakPolarHBondContact OH-CG 3.46Å; R26-E30 PolarHBondContact O-N 3.47Å; L27-E30 PolarHBondContact O-N 3.37Å; E30-R33 VanDerWaalsContact CD-NH2 3.29Å; E30-R33 IonicContact OE1-CZ 3.35Å; E30-R33 IonicContact OE1-NE 2.75Å; E30-R33 IonicContact OE1-NH2 3.1Å; E30-R33 PolarHBondContact OE1-NH2 3.06Å; E30-R33 IonicContact OE2-CZ 3.57Å; E30-R33 IonicContact OE2-NE 2.75Å; E30-R33 PolarHBondContact OE2-NE 3.25Å; E30-R33 IonicContact OE2-NH2 3.74Å; E30-R33 PolarHBondContact OE2-NH2 3.42Å; E30-R33 VanDerWaalsContact OE2-NH2 3.1Å; E30-R34 WeakPolarHBondContact O-CB 3.46Å; E30-R34 WeakPolarHBondContact O-CG 3.44Å; E30-R34 PolarHBondContact O-N 3.23Å; E30-R34 IonicContact OE1-CZ 3.18Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 2.88Å; E30-R34 IonicContact OE1-NH2 2.78Å; E30-R34 PolarHBondContact OE1-NH2 3.11Å
31	L	91.7	Very high	89.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-41.4	173.6	-70.8	175.7	0	0	0	112	V4 L13 L15 L27 Q28 E29 R33 R34 T35 L44 L73	V4-L31 HydrophobicContact CB-CD2 4.37Å; V4-L31 HydrophobicContact CG1-CD1 4.18Å; V4-L31 HydrophobicContact CG1-CD2 3.99Å; V4-L31 HydrophobicContact CG2-CD2 4.43Å; L13-L31 HydrophobicContact CD1-CD2 3.95Å; L15-L31 HydrophobicContact CD1-CD2 4.12Å; L27-L31 HydrophobicContact CD1-CD1 4.1Å; L27-L31 HydrophobicContact CD1-CG 4.12Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.4Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.38Å; Q28-L31 PolarHBondContact O-N 3.24Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.04Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.3Å; L31-R34 PolarHBondContact O-N 3.22Å; L31-R34 VanDerWaalsContact O-N 3.16Å; L31-T35 WeakPolarHBondContact O-CB 3.39Å; L31-T35 PolarHBondContact O-N 3.38Å; L31-T35 PolarHBondContact O-OG1 3.23Å; L31-L44 HydrophobicContact CD1-CD1 4.19Å; L31-L44 HydrophobicContact CD1-CD2 3.65Å; L31-L73 HydrophobicContact CD2-CD2 4.42Å
32	E	92	Very high	89.8	Confident	70 Å²	70	52.7 Å²	52.7	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-57	-49	173.7	-176.4	167.5	-124	0	0	109.8	Q28 E29 R34 T35 N36 I37 P38 K39 Q42	Q28-E32 VanDerWaalsContact O-CB 3.26Å; Q28-E32 WeakPolarHBondContact O-CB 3.17Å; Q28-E32 PolarHBondContact O-N 3.36Å; E29-E32 PolarHBondContact O-N 3.16Å; E32-R34 VanDerWaalsContact C-N 3.32Å; E32-R34 PolarHBondContact O-N 3.34Å; E32-T35 PolarHBondContact O-N 2.92Å; E32-N36 WeakPolarHBondContact O-CA 3.09Å; E32-N36 PolarHBondContact O-N 3.46Å; E32-I37 WeakPolarHBondContact CA-O 3.42Å; E32-P38 VanDerWaalsContact OE1-CA 3.26Å; E32-P38 WeakPolarHBondContact OE1-CA 3.46Å; E32-K39 PolarHBondContact OE1-N 2.92Å; E32-Q42 VanDerWaalsContact N-NE2 3.2Å
33	R	89.9	Confident	89.9	Confident	169 Å²	169	50.5 Å²	50.5	64%	0.638	24%	0.241	S	C	*	.	H	α-helix	trans	-61.9	-31.2	176.3	-163.7	-166.4	65.8	72.9	-2.5	114.2	E29 E30 L31	E29-R33 WeakPolarHBondContact O-CB 3.37Å; E29-R33 PolarHBondContact O-N 3Å; E30-R33 VanDerWaalsContact CD-NH2 3.29Å; E30-R33 IonicContact OE1-CZ 3.35Å; E30-R33 IonicContact OE1-NE 2.75Å; E30-R33 IonicContact OE1-NH2 3.1Å; E30-R33 PolarHBondContact OE1-NH2 3.06Å; E30-R33 IonicContact OE2-CZ 3.57Å; E30-R33 IonicContact OE2-NE 2.75Å; E30-R33 PolarHBondContact OE2-NE 3.25Å; E30-R33 IonicContact OE2-NH2 3.74Å; E30-R33 PolarHBondContact OE2-NH2 3.42Å; E30-R33 VanDerWaalsContact OE2-NH2 3.1Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.3Å
34	R	87	Confident	90	Very high	110 Å²	110	48.4 Å²	48.4	42%	0.415	23%	0.227	S	C	.	.	H	α-helix	trans	-93.4	-23.3	-178.5	-75.2	-166.3	-168.2	-157.8	10	115.1	N14 E30 L31 E32	N14-R34 PolarHBondContact O-NH1 3.22Å; E30-R34 WeakPolarHBondContact O-CB 3.46Å; E30-R34 WeakPolarHBondContact O-CG 3.44Å; E30-R34 PolarHBondContact O-N 3.23Å; E30-R34 IonicContact OE1-CZ 3.18Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 2.88Å; E30-R34 IonicContact OE1-NH2 2.78Å; E30-R34 PolarHBondContact OE1-NH2 3.11Å; L31-R34 PolarHBondContact O-N 3.22Å; L31-R34 VanDerWaalsContact O-N 3.16Å; E32-R34 VanDerWaalsContact C-N 3.32Å; E32-R34 PolarHBondContact O-N 3.34Å
35	T	86	Confident	90.1	Very high	32 Å²	32	48.5 Å²	48.5	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-121	-9.4	-171.9	65.4	0	0	0	0	113.9	L13 L31 E32 I37 L73	L13-T35 HydrophobicContact CD1-CG2 3.72Å; L31-T35 WeakPolarHBondContact O-CB 3.39Å; L31-T35 PolarHBondContact O-N 3.38Å; L31-T35 PolarHBondContact O-OG1 3.23Å; E32-T35 PolarHBondContact O-N 2.92Å; T35-I37 PolarHBondContact O-N 2.94Å; T35-L73 HydrophobicContact CG2-CD2 4.12Å
36	N	86	Confident	90.1	Very high	124 Å²	124	46 Å²	46	66%	0.663	21%	0.214	S	C	*	.			trans	56.5	29.9	-173.9	-157	21.8	0	0	0	113.2	E32	E32-N36 WeakPolarHBondContact O-CA 3.09Å; E32-N36 PolarHBondContact O-N 3.46Å
37	I	86.2	Confident	89.8	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	20%	0.204	C	C	.	.			trans	-101.4	116.9	174	-60.2	165.8	0	0	0	107.9	E32 T35 D41 Q42 L73	E32-I37 WeakPolarHBondContact CA-O 3.42Å; T35-I37 PolarHBondContact O-N 2.94Å; I37-D41 HydrophobicContact CG2-CB 3.86Å; I37-Q42 HydrophobicContact CB-CG 4.17Å; I37-Q42 HydrophobicContact CG2-CG 3.69Å; I37-Q42 PolarHBondContact O-NE2 3.16Å; I37-L73 HydrophobicContact CD1-CD2 4.24Å
38	P	88	Confident	89.4	Confident	48 Å²	48	44.2 Å²	44.2	31%	0.312	23%	0.229	S	C	.	.			trans	-55.2	145.8	178.5	-26.6	35.1	0	0	0	112.5	E32 S40 D41 Q42	E32-P38 VanDerWaalsContact OE1-CA 3.26Å; E32-P38 WeakPolarHBondContact OE1-CA 3.46Å; P38-S40 PolarHBondContact O-N 3.24Å; P38-D41 PolarHBondContact O-N 3.43Å; P38-Q42 PolarHBondContact O-N 3.43Å
39	K	88.4	Confident	89.1	Confident	59 Å²	59	43.4 Å²	43.4	26%	0.257	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-51	-34.8	179.2	-65.5	-168.7	-175.1	-174	0	114.2	Q28 E29 E32 D41 Q42	Q28-K39 HydrophobicContact CB-CD 4.35Å; Q28-K39 HydrophobicContact CB-CG 4.18Å; E29-K39 IonicContact OE1-NZ 2.63Å; E29-K39 PolarHBondContact OE1-NZ 2.9Å; E32-K39 PolarHBondContact OE1-N 2.92Å; K39-D41 PolarHBondContact O-N 3.28Å; K39-Q42 PolarHBondContact O-N 2.99Å
40	S	84.3	Confident	89	Confident	46 Å²	46	43.5 Å²	43.5	32%	0.322	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-60.4	-31.2	176.9	52.9	0	0	0	0	113.5	P38 R76	P38-S40 PolarHBondContact O-N 3.24Å; S40-R76 PolarHBondContact O-NE 2.91Å
41	D	86.4	Confident	88.9	Confident	35 Å²	35	44.3 Å²	44.3	19%	0.187	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-99.7	-9.4	-169.5	-56.9	-4	0	0	0	111.4	I37 P38 K39 S75 R76	I37-D41 HydrophobicContact CG2-CB 3.86Å; P38-D41 PolarHBondContact O-N 3.43Å; K39-D41 PolarHBondContact O-N 3.28Å; D41-S75 WeakPolarHBondContact O-CA 3.42Å; D41-R76 HydrophobicContact CB-CB 4.2Å; D41-R76 PolarHBondContact O-N 3.28Å
42	Q	90.8	Very high	88.9	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116	173.6	-63.1	178.4	30.1	0	0	111	Q28 E32 I37 P38 K39 L73	Q28-Q42 PolarHBondContact O-NE2 2.96Å; Q28-Q42 PolarHBondContact O-OE1 3.44Å; E32-Q42 VanDerWaalsContact N-NE2 3.2Å; I37-Q42 HydrophobicContact CB-CG 4.17Å; I37-Q42 HydrophobicContact CG2-CG 3.69Å; I37-Q42 PolarHBondContact O-NE2 3.16Å; P38-Q42 PolarHBondContact O-N 3.43Å; K39-Q42 PolarHBondContact O-N 2.99Å; Q42-L73 HydrophobicContact CB-CD1 3.86Å; Q42-L73 HydrophobicContact CG-CD1 3.93Å
43	I	91.1	Very high	88.7	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.077	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.7	165.7	-60.3	161.5	0	0	0	107.2	L45 V74 R76 I660	I43-L45 HydrophobicContact CG2-CD2 4.23Å; I43-L45 HydrophobicContact CG2-CG 4.15Å; I43-V74 HydrophobicContact CB-CB 4.25Å; I43-V74 PolarHBondContact N-O 2.96Å; I43-V74 PolarHBondContact O-N 3.32Å; I43-R76 HydrophobicContact CD1-CG 3.71Å; I43-R76 HydrophobicContact CG1-CG 4.15Å; I43-I660 HydrophobicContact CD1-CD1 4.04Å; I43-I660 HydrophobicContact CD1-CG2 4.48Å; I43-I660 HydrophobicContact CG1-CG2 4.34Å; I43-I660 HydrophobicContact CG2-CD1 4.13Å
44	L	93.7	Very high	88.5	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.6	178.5	-60.4	-177.5	0	0	0	110.2	V24 L27 Q28 L31 V51 L52 I71 F72 L73	V24-L44 HydrophobicContact CG1-CD1 3.89Å; L27-L44 HydrophobicContact CD2-CD1 4.12Å; L27-L44 HydrophobicContact CG-CD1 4.42Å; Q28-L44 HydrophobicContact CG-CD1 3.7Å; L31-L44 HydrophobicContact CD1-CD1 4.19Å; L31-L44 HydrophobicContact CD1-CD2 3.65Å; L44-V51 WeakPolarHBondContact O-CA 3.29Å; L44-L52 HydrophobicContact CB-CB 4.01Å; L44-L52 HydrophobicContact CB-CD1 3.99Å; L44-L52 HydrophobicContact CB-CG 4.11Å; L44-L52 HydrophobicContact CD1-CD1 4.39Å; L44-L52 PolarHBondContact O-N 3.21Å; L44-I71 HydrophobicContact CB-CG2 4.13Å; L44-I71 HydrophobicContact CD2-CG2 4.24Å; L44-F72 WeakPolarHBondContact CA-O 3.3Å; L44-L73 HydrophobicContact CD2-CB 3.97Å; L44-L73 HydrophobicContact CD2-CD1 3.68Å; L44-L73 HydrophobicContact CD2-CG 4.39Å
45	L	93.6	Very high	88.3	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.5	178.5	-59.6	174	0	0	0	111	I43 I50 V51 I71 F72 V182 N185	I43-L45 HydrophobicContact CG2-CD2 4.23Å; I43-L45 HydrophobicContact CG2-CG 4.15Å; L45-I50 WeakPolarHBondContact CA-O 3.01Å; L45-V51 HydrophobicContact CD2-CB 4.4Å; L45-V51 HydrophobicContact CD2-CG2 3.78Å; L45-I71 CarbonylContact O-C 3.58Å; L45-I71 WeakPolarHBondContact O-CA 3.34Å; L45-F72 HydrophobicContact CB-CB 4.32Å; L45-F72 PolarHBondContact N-O 3.03Å; L45-F72 PolarHBondContact O-N 3.34Å; L45-V182 HydrophobicContact CD1-CB 4.39Å; L45-V182 HydrophobicContact CD1-CG2 3.64Å; L45-N185 HydrophobicContact CD1-CB 4.47Å; L45-N185 HydrophobicContact CD2-CB 4.2Å
46	I	92.2	Very high	88.4	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	170.9	163	57.8	172.1	0	0	0	110	G48 G49 I50 L52 Y61 A64 I71	I46-G48 PolarHBondContact O-N 3.27Å; I46-G49 PolarHBondContact O-N 2.95Å; I46-I50 HydrophobicContact CD1-CB 4.11Å; I46-I50 HydrophobicContact CD1-CD1 4.28Å; I46-I50 HydrophobicContact CD1-CG2 4.36Å; I46-I50 HydrophobicContact CG1-CB 3.78Å; I46-I50 HydrophobicContact CG1-CG2 4.39Å; I46-I50 PolarHBondContact N-O 3.41Å; I46-I50 VanDerWaalsContact N-O 3.12Å; I46-L52 HydrophobicContact CG2-CD2 3.96Å; I46-L52 HydrophobicContact CG2-CG 4.44Å; I46-Y61 HydrophobicContact CD1-CD1 4.05Å; I46-A64 HydrophobicContact CG2-CB 3.85Å; I46-I71 HydrophobicContact CG2-CG1 4.07Å
47	S	86.6	Confident	88.5	Confident	39 Å²	39	35 Å²	35	27%	0.273	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	135	174.2	-64.2	0	0	0	0	111.6	N69 Q177	S47-N69 WeakPolarHBondContact CB-OD1 3.44Å; S47-N69 PolarHBondContact N-OD1 2.68Å; S47-N69 VanDerWaalsContact N-OD1 3.16Å; S47-N69 PolarHBondContact OG-OD1 3.35Å; S47-Q177 PolarHBondContact OG-NE2 3.33Å
48	G	85.3	Confident	88.6	Confident	52 Å²	52	34.9 Å²	34.9	54%	0.536	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	0.6	-171.3	0	0	0	0	0	114.9	I46	I46-G48 PolarHBondContact O-N 3.27Å
49	G	87.8	Confident	88.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	17.3	172.6	0	0	0	0	0	115.3	I46 V51 S181 N185	I46-G49 PolarHBondContact O-N 2.95Å; G49-V51 PolarHBondContact O-N 2.97Å; G49-S181 WeakPolarHBondContact CA-O 3.42Å; G49-N185 WeakPolarHBondContact O-CB 3.47Å; G49-N185 PolarHBondContact O-ND2 3.23Å
50	I	89.6	Confident	88.2	Confident	72 Å²	72	35.8 Å²	35.8	37%	0.369	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.5	177.4	-61	166.1	0	0	0	109.3	L45 I46 Y61	L45-I50 WeakPolarHBondContact CA-O 3.01Å; I46-I50 HydrophobicContact CD1-CB 4.11Å; I46-I50 HydrophobicContact CD1-CD1 4.28Å; I46-I50 HydrophobicContact CD1-CG2 4.36Å; I46-I50 HydrophobicContact CG1-CB 3.78Å; I46-I50 HydrophobicContact CG1-CG2 4.39Å; I46-I50 PolarHBondContact N-O 3.41Å; I46-I50 VanDerWaalsContact N-O 3.12Å; I50-Y61 HydrophobicContact CG2-CD1 4.26Å; I50-Y61 HydrophobicContact CG2-CE1 4Å
51	V	90.5	Very high	88.2	Confident	34 Å²	34	34.7 Å²	34.7	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.8	174.5	-169.4	0	0	0	0	110.4	L44 L45 G49 N185 I660	L44-V51 WeakPolarHBondContact O-CA 3.29Å; L45-V51 HydrophobicContact CD2-CB 4.4Å; L45-V51 HydrophobicContact CD2-CG2 3.78Å; G49-V51 PolarHBondContact O-N 2.97Å; V51-N185 VanDerWaalsContact CG2-ND2 3.32Å; V51-N185 WeakPolarHBondContact CG2-ND2 3.16Å; V51-I660 HydrophobicContact CG2-CG1 4.32Å
52	L	91.3	Very high	87.9	Confident	8 Å²	8	39 Å²	39	4%	0.042	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75.4	124.3	173.1	-57.9	-173.4	0	0	0	110.5	V24 L44 I46 L58 Y61 I71	V24-L52 HydrophobicContact CG1-CB 3.87Å; V24-L52 HydrophobicContact CG2-CB 3.99Å; V24-L52 HydrophobicContact CG2-CD1 4.39Å; L44-L52 HydrophobicContact CB-CB 4.01Å; L44-L52 HydrophobicContact CB-CD1 3.99Å; L44-L52 HydrophobicContact CB-CG 4.11Å; L44-L52 HydrophobicContact CD1-CD1 4.39Å; L44-L52 PolarHBondContact O-N 3.21Å; I46-L52 HydrophobicContact CG2-CD2 3.96Å; I46-L52 HydrophobicContact CG2-CG 4.44Å; L52-L58 HydrophobicContact CD1-CD1 3.8Å; L52-L58 HydrophobicContact CD2-CD1 4.41Å; L52-Y61 HydrophobicContact CD2-CD1 3.63Å; L52-Y61 HydrophobicContact CD2-CD2 3.79Å; L52-Y61 HydrophobicContact CD2-CE1 3.67Å; L52-Y61 HydrophobicContact CD2-CE2 3.83Å; L52-Y61 HydrophobicContact CD2-CG 3.68Å; L52-I71 HydrophobicContact CD1-CD1 4.07Å; L52-I71 HydrophobicContact CD1-CG1 4.17Å; L52-I71 HydrophobicContact CD1-CG2 3.69Å
53	S	88.1	Confident	87.2	Confident	59 Å²	59	42.7 Å²	42.7	41%	0.413	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-87	127.2	-179.3	-56.4	0	0	0	0	110.1	G55 K56 Y61	S53-G55 PolarHBondContact O-N 3.45Å; S53-K56 PolarHBondContact O-N 3.31Å; S53-Y61 PolarHBondContact N-OH 2.88Å; S53-Y61 PolarHBondContact OG-OH 3.15Å
54	P	86.2	Confident	86.9	Confident	44 Å²	44	42.5 Å²	42.5	29%	0.286	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-48.6	-169	-27.2	32.8	0	0	0	114.5	V24 D25 K56	V24-P54 CarbonylContact C-O 3.48Å; V24-P54 WeakPolarHBondContact CA-O 3.37Å; V24-P54 WeakPolarHBondContact CB-O 3.44Å; V24-P54 PolarHBondContact N-O 3.48Å; D25-P54 VanDerWaalsContact CG-CB 3.45Å; D25-P54 PolarHBondContact N-O 3.34Å; D25-P54 VanDerWaalsContact OD1-CB 3.31Å; D25-P54 WeakPolarHBondContact OD1-CB 3.3Å; D25-P54 WeakPolarHBondContact OD2-CB 3.33Å; D25-P54 VanDerWaalsContact OD2-O 3.11Å; P54-K56 VanDerWaalsContact C-N 3.3Å; P54-K56 PolarHBondContact O-N 2.83Å
55	G	83.1	Confident	86.5	Confident	67 Å²	67	42.6 Å²	42.6	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.1	-178.1	0	0	0	0	0	116.5	D25 S53	D25-G55 PolarHBondContact OD2-N 3.1Å; S53-G55 PolarHBondContact O-N 3.45Å
56	K	88	Confident	86.2	Confident	75 Å²	75	44.2 Å²	44.2	33%	0.326	31%	0.307	S	S	.	.	S	Bend	trans	-94.7	137.3	179.1	-175.1	172.5	167.4	-167.3	0	110.2	P23 V24 S53 P54 G60 Y61	P23-K56 WeakPolarHBondContact CA-O 3.29Å; V24-K56 WeakPolarHBondContact CG2-O 3.46Å; V24-K56 PolarHBondContact N-O 3.41Å; V24-K56 VanDerWaalsContact N-O 3.1Å; S53-K56 PolarHBondContact O-N 3.31Å; P54-K56 VanDerWaalsContact C-N 3.3Å; P54-K56 PolarHBondContact O-N 2.83Å; K56-G60 WeakPolarHBondContact CE-O 3.22Å; K56-G60 PolarHBondContact NZ-O 2.87Å; K56-Y61 HydrophobicContact CB-CE2 4.19Å; K56-Y61 HydrophobicContact CD-CE2 3.75Å; K56-Y61 HydrophobicContact CG-CE2 3.92Å
57	C	88.4	Confident	85.8	Confident	55 Å²	55	51.7 Å²	51.7	37%	0.372	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-62.5	138.3	173.5	-66	0	0	0	0	111.5	Q22 S59 G60	Q22-C57 WeakPolarHBondContact O-CA 3.43Å; C57-S59 VanDerWaalsContact C-N 3.26Å; C57-S59 PolarHBondContact O-N 3.14Å; C57-G60 PolarHBondContact O-N 3.04Å
58	L	86.6	Confident	85.7	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.016	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-62.7	-32.8	-176.6	-175	57.7	0	0	0	112.8	L2 Q22 V24 L27 L52 G60 Y61 A64 I71	L2-L58 HydrophobicContact CD1-CD2 3.78Å; L2-L58 HydrophobicContact CD2-CD2 3.76Å; L2-L58 HydrophobicContact CG-CD2 4.45Å; Q22-L58 PolarHBondContact O-N 2.81Å; V24-L58 HydrophobicContact CG2-CD1 4.36Å; L27-L58 HydrophobicContact CD2-CD2 4.09Å; L52-L58 HydrophobicContact CD1-CD1 3.8Å; L52-L58 HydrophobicContact CD2-CD1 4.41Å; L58-G60 PolarHBondContact O-N 3.33Å; L58-G60 VanDerWaalsContact O-N 3.1Å; L58-Y61 HydrophobicContact CD1-CD2 4.4Å; L58-Y61 PolarHBondContact O-N 3.36Å; L58-A64 HydrophobicContact CD1-CB 4.06Å; L58-I71 HydrophobicContact CD1-CD1 3.83Å; L58-I71 HydrophobicContact CD2-CD1 3.81Å; L58-I71 HydrophobicContact CG-CD1 4.41Å
59	S	84.2	Confident	85.8	Confident	88 Å²	88	53 Å²	53	62%	0.615	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-57.7	-18.1	170.4	56.6	0	0	0	0	114.7	S20 C57 Y61	S20-S59 WeakPolarHBondContact O-CB 3.4Å; S20-S59 PolarHBondContact O-N 3.45Å; C57-S59 VanDerWaalsContact C-N 3.26Å; C57-S59 PolarHBondContact O-N 3.14Å; S59-Y61 PolarHBondContact O-N 3.02Å
60	G	83.7	Confident	86	Confident	39 Å²	39	53 Å²	53	40%	0.402	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-77.9	6.4	172.3	0	0	0	0	0	114.6	K56 C57 L58	K56-G60 WeakPolarHBondContact CE-O 3.22Å; K56-G60 PolarHBondContact NZ-O 2.87Å; C57-G60 PolarHBondContact O-N 3.04Å; L58-G60 PolarHBondContact O-N 3.33Å; L58-G60 VanDerWaalsContact O-N 3.1Å
61	Y	84.5	Confident	86.3	Confident	22 Å²	22	49.6 Å²	49.6	9%	0.086	32%	0.323	C	S	.	.	S	Bend	trans	-122	116.2	173.3	-60.7	-92.2	0	0	0	109.2	V24 I46 I50 L52 S53 K56 L58 S59 S63 A64	V24-Y61 HydrophobicContact CG2-CE2 4.45Å; I46-Y61 HydrophobicContact CD1-CD1 4.05Å; I50-Y61 HydrophobicContact CG2-CD1 4.26Å; I50-Y61 HydrophobicContact CG2-CE1 4Å; L52-Y61 HydrophobicContact CD2-CD1 3.63Å; L52-Y61 HydrophobicContact CD2-CD2 3.79Å; L52-Y61 HydrophobicContact CD2-CE1 3.67Å; L52-Y61 HydrophobicContact CD2-CE2 3.83Å; L52-Y61 HydrophobicContact CD2-CG 3.68Å; S53-Y61 PolarHBondContact N-OH 2.88Å; S53-Y61 PolarHBondContact OG-OH 3.15Å; K56-Y61 HydrophobicContact CB-CE2 4.19Å; K56-Y61 HydrophobicContact CD-CE2 3.75Å; K56-Y61 HydrophobicContact CG-CE2 3.92Å; L58-Y61 HydrophobicContact CD1-CD2 4.4Å; L58-Y61 PolarHBondContact O-N 3.36Å; S59-Y61 PolarHBondContact O-N 3.02Å; Y61-S63 PolarHBondContact O-N 3.44Å; Y61-A64 PolarHBondContact O-N 3.25Å
62	T	79.8	Confident	86.5	Confident	125 Å²	125	48 Å²	48	77%	0.767	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	125.6	-174.5	47.1	0	0	0	0	112	A64	T62-A64 PolarHBondContact O-N 3.34Å; T62-A64 VanDerWaalsContact O-N 3.11Å
63	S	77.4	Confident	86.6	Confident	88 Å²	88	47.6 Å²	47.6	62%	0.615	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	13.7	176.8	-48.9	0	0	0	0	115.9	Y61 G65 S66 N69	Y61-S63 PolarHBondContact O-N 3.44Å; S63-G65 PolarHBondContact O-N 3.47Å; S63-S66 WeakPolarHBondContact O-CB 3.48Å; S63-S66 PolarHBondContact O-N 3.17Å; S63-S66 PolarHBondContact O-OG 3.18Å; S63-N69 PolarHBondContact O-ND2 3.39Å
64	A	85.3	Confident	86.8	Confident	12 Å²	12	45 Å²	45	10%	0.099	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	126.1	-179.2	0	0	0	0	0	112.1	I46 L58 Y61 T62	I46-A64 HydrophobicContact CG2-CB 3.85Å; L58-A64 HydrophobicContact CD1-CB 4.06Å; Y61-A64 PolarHBondContact O-N 3.25Å; T62-A64 PolarHBondContact O-N 3.34Å; T62-A64 VanDerWaalsContact O-N 3.11Å
65	G	84.6	Confident	86.8	Confident	4 Å²	4	43 Å²	43	4%	0.041	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	22.2	178.7	0	0	0	0	0	114.4	H3 S63 N69	H3-G65 PolarHBondContact N-O 2.58Å; H3-G65 WeakPolarHBondContact O-CA 3.25Å; S63-G65 PolarHBondContact O-N 3.47Å; G65-N69 WeakPolarHBondContact CA-O 3.46Å; G65-N69 PolarHBondContact N-O 3.32Å
66	S	87.5	Confident	86.5	Confident	37 Å²	37	43 Å²	43	26%	0.259	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-79.7	166.7	164.9	57.8	0	0	0	0	110.7	S63 S68 N69 P70	S63-S66 WeakPolarHBondContact O-CB 3.48Å; S63-S66 PolarHBondContact O-N 3.17Å; S63-S66 PolarHBondContact O-OG 3.18Å; S66-S68 VanDerWaalsContact C-N 3.26Å; S66-S68 PolarHBondContact O-N 3.43Å; S66-N69 PolarHBondContact N-O 2.98Å; S66-N69 CarbonylContact O-C 3.51Å; S66-N69 PolarHBondContact O-N 3.33Å; S66-N69 PolarHBondContact OG-N 3.39Å; S66-P70 VanDerWaalsContact O-N 3.14Å
67	E	83.5	Confident	85.3	Confident	162 Å²	162	40.4 Å²	40.4	76%	0.757	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.7	178.3	-174.1	174.2	-172.1	0	0	112.7
68	S	83.8	Confident	83.7	Confident	98 Å²	98	42.8 Å²	42.8	69%	0.685	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.1	177.2	53.3	0	0	0	0	114.8	S66 Q177	S66-S68 VanDerWaalsContact C-N 3.26Å; S66-S68 PolarHBondContact O-N 3.43Å; S68-Q177 PolarHBondContact O-NE2 2.96Å
69	N	87.2	Confident	81.8	Confident	21 Å²	21	44.4 Å²	44.4	11%	0.112	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-144.3	72.7	178.3	-177.7	27.3	0	0	0	109.8	S47 S63 G65 S66	S47-N69 WeakPolarHBondContact CB-OD1 3.44Å; S47-N69 PolarHBondContact N-OD1 2.68Å; S47-N69 VanDerWaalsContact N-OD1 3.16Å; S47-N69 PolarHBondContact OG-OD1 3.35Å; S63-N69 PolarHBondContact O-ND2 3.39Å; G65-N69 WeakPolarHBondContact CA-O 3.46Å; G65-N69 PolarHBondContact N-O 3.32Å; S66-N69 PolarHBondContact N-O 2.98Å; S66-N69 CarbonylContact O-C 3.51Å; S66-N69 PolarHBondContact O-N 3.33Å; S66-N69 PolarHBondContact OG-N 3.39Å
70	P	92.7	Very high	79.7	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.264	C	S	.	.			trans	-66.6	158.2	176.8	29.2	-35.2	0	0	0	110.9	H3 F5 S66 F72	H3-P70 HydrophobicContact CB-CB 4.14Å; H3-P70 WeakPolarHBondContact O-CA 3.28Å; F5-P70 HydrophobicContact CB-CB 4.17Å; F5-P70 HydrophobicContact CB-CG 4.29Å; S66-P70 VanDerWaalsContact O-N 3.14Å; P70-F72 HydrophobicContact CG-CE1 3.89Å; P70-F72 HydrophobicContact CG-CZ 3.86Å
71	I	95.1	Very high	78	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.9	171.3	-61.9	161.9	0	0	0	107.8	L2 H3 V4 F5 L27 L44 L45 I46 L52 L58 L73	L2-I71 HydrophobicContact CD1-CD1 4.14Å; H3-I71 PolarHBondContact O-N 2.92Å; V4-I71 CarbonylContact C-O 3.59Å; V4-I71 VanDerWaalsContact CA-O 3.25Å; V4-I71 WeakPolarHBondContact CA-O 3.49Å; V4-I71 HydrophobicContact CG1-CB 4.4Å; V4-I71 HydrophobicContact CG1-CG2 4.48Å; V4-I71 WeakPolarHBondContact CG1-O 3.5Å; V4-I71 HydrophobicContact CG2-CB 4.27Å; V4-I71 HydrophobicContact CG2-CD1 4.47Å; F5-I71 PolarHBondContact N-O 3.49Å; L27-I71 HydrophobicContact CD2-CD1 3.93Å; L44-I71 HydrophobicContact CB-CG2 4.13Å; L44-I71 HydrophobicContact CD2-CG2 4.24Å; L45-I71 CarbonylContact O-C 3.58Å; L45-I71 WeakPolarHBondContact O-CA 3.34Å; I46-I71 HydrophobicContact CG2-CG1 4.07Å; L52-I71 HydrophobicContact CD1-CD1 4.07Å; L52-I71 HydrophobicContact CD1-CG1 4.17Å; L52-I71 HydrophobicContact CD1-CG2 3.69Å; L58-I71 HydrophobicContact CD1-CD1 3.83Å; L58-I71 HydrophobicContact CD2-CD1 3.81Å; L58-I71 HydrophobicContact CG-CD1 4.41Å; I71-L73 PolarHBondContact O-N 3.34Å
72	F	95	Very high	76.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.9	178.3	-57.5	-72.3	0	0	0	110.2	F5 L44 L45 P70 N174 Q177 G178 S181	F5-F72 HydrophobicContact CB-CD1 4.01Å; F5-F72 HydrophobicContact CB-CE1 4.24Å; F5-F72 HydrophobicContact CD1-CD1 4.17Å; F5-F72 HydrophobicContact CD1-CE1 4.38Å; F5-F72 WeakPolarHBondContact O-CA 3.45Å; L44-F72 WeakPolarHBondContact CA-O 3.3Å; L45-F72 HydrophobicContact CB-CB 4.32Å; L45-F72 PolarHBondContact N-O 3.03Å; L45-F72 PolarHBondContact O-N 3.34Å; P70-F72 HydrophobicContact CG-CE1 3.89Å; P70-F72 HydrophobicContact CG-CZ 3.86Å; F72-N174 WeakPolarHBondContact CE1-O 3.3Å; F72-Q177 HydrophobicContact CE1-CB 4.47Å; F72-Q177 HydrophobicContact CE2-CG 4.18Å; F72-Q177 HydrophobicContact CZ-CB 3.91Å; F72-Q177 HydrophobicContact CZ-CG 3.66Å; F72-G178 VanDerWaalsContact CE1-CA 3.44Å; F72-S181 WeakPolarHBondContact CE2-OG 3.24Å
73	L	94.5	Very high	74.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.4	170.3	168.4	63.3	0	0	0	109.2	V4 F5 H6 L7 L31 T35 I37 Q42 L44 I71	V4-L73 HydrophobicContact CG1-CB 4.01Å; F5-L73 PolarHBondContact O-N 2.89Å; H6-L73 HydrophobicContact CB-CD2 4.45Å; L7-L73 PolarHBondContact N-O 3.27Å; L31-L73 HydrophobicContact CD2-CD2 4.42Å; T35-L73 HydrophobicContact CG2-CD2 4.12Å; I37-L73 HydrophobicContact CD1-CD2 4.24Å; Q42-L73 HydrophobicContact CB-CD1 3.86Å; Q42-L73 HydrophobicContact CG-CD1 3.93Å; L44-L73 HydrophobicContact CD2-CB 3.97Å; L44-L73 HydrophobicContact CD2-CD1 3.68Å; L44-L73 HydrophobicContact CD2-CG 4.39Å; I71-L73 PolarHBondContact O-N 3.34Å
74	V	91.6	Very high	72.6	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.6	172.2	-176.1	0	0	0	0	108.9	L7 N8 I43 V182 L415	L7-V74 HydrophobicContact CB-CG2 4.19Å; L7-V74 HydrophobicContact CD2-CG2 3.94Å; N8-V74 WeakPolarHBondContact OD1-CA 3.28Å; I43-V74 HydrophobicContact CB-CB 4.25Å; I43-V74 PolarHBondContact N-O 2.96Å; I43-V74 PolarHBondContact O-N 3.32Å; V74-V182 HydrophobicContact CG2-CG2 3.99Å; V74-L415 HydrophobicContact CG1-CD1 4.34Å; V74-L415 HydrophobicContact CG1-CD2 4.01Å
75	S	86.6	Confident	70.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.5	174.4	-175.6	0	0	0	0	111.1	N8 D41 L77	N8-S75 PolarHBondContact ND2-O 3.16Å; N8-S75 VanDerWaalsContact ND2-O 3.16Å; N8-S75 PolarHBondContact OD1-N 2.85Å; D41-S75 WeakPolarHBondContact O-CA 3.42Å; S75-L77 VanDerWaalsContact C-N 3.26Å; S75-L77 PolarHBondContact O-N 3.38Å; S75-L77 WeakPolarHBondContact OG-CG 3.36Å; S75-L77 PolarHBondContact OG-N 3.05Å
76	R	76.3	Confident	68.6	Low	67 Å²	67	57.7 Å²	57.7	25%	0.253	29%	0.288	S	S	.	.			trans	-72.1	-13.4	172.4	-66.3	-172.8	-161.7	-125.6	6.3	114.4	S40 D41 I43 K78	S40-R76 PolarHBondContact O-NE 2.91Å; D41-R76 HydrophobicContact CB-CB 4.2Å; D41-R76 PolarHBondContact O-N 3.28Å; I43-R76 HydrophobicContact CD1-CG 3.71Å; I43-R76 HydrophobicContact CG1-CG 4.15Å; R76-K78 PolarHBondContact O-N 3.39Å
77	L	62.5	Low	66.2	Low	22 Å²	22	60.4 Å²	60.4	12%	0.115	30%	0.296	C	S	.	.			trans	-57.1	124.2	-171.8	-67.9	174.9	0	0	0	112	S75 K85	S75-L77 VanDerWaalsContact C-N 3.26Å; S75-L77 PolarHBondContact O-N 3.38Å; S75-L77 WeakPolarHBondContact OG-CG 3.36Å; S75-L77 PolarHBondContact OG-N 3.05Å; L77-K85 HydrophobicContact CD1-CD 4.4Å
78	K	56.3	Low	63.9	Low	104 Å²	104	60 Å²	60	45%	0.452	29%	0.292	S	S	.	.			trans	-61.8	144.6	177	-62.8	-174.3	-179.6	-169.6	0	109.7	R76 S80 E81 H82 E423	R76-K78 PolarHBondContact O-N 3.39Å; K78-S80 PolarHBondContact O-N 3.29Å; K78-E81 PolarHBondContact O-N 3.16Å; K78-H82 PolarHBondContact O-N 3.15Å; K78-E423 WeakPolarHBondContact CE-OE1 3.43Å; K78-E423 IonicContact NZ-OE1 2.74Å; K78-E423 PolarHBondContact NZ-OE1 2.69Å; K78-E423 IonicContact NZ-OE2 2.64Å
79	A	45.4	Very low	61.5	Low	37 Å²	37	59 Å²	59	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-21.8	-173.7	0	0	0	0	0	114.5	R83 E416	A79-R83 WeakPolarHBondContact O-CG 3.45Å; A79-R83 PolarHBondContact O-N 3.42Å; A79-E416 VanDerWaalsContact CB-OE1 3.25Å; A79-E416 WeakPolarHBondContact CB-OE1 3.32Å
80	S	40.1	Very low	59	Low	80 Å²	80	60.8 Å²	60.8	56%	0.559	29%	0.291	S	S	*	.	H	α-helix	trans	-60.1	-53.2	168.3	45.1	0	0	0	0	111.8	K78 R83 E84	K78-S80 PolarHBondContact O-N 3.29Å; S80-R83 PolarHBondContact O-N 2.92Å; S80-E84 PolarHBondContact O-N 3.47Å
81	E	47.4	Very low	56.2	Low	74 Å²	74	65.6 Å²	65.6	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-68.5	-35.3	177	-65.5	-178	-138.2	0	0	112.2	K78 R83 E84 K85	K78-E81 PolarHBondContact O-N 3.16Å; E81-R83 PolarHBondContact O-N 2.89Å; E81-E84 PolarHBondContact O-N 3.39Å; E81-K85 HydrophobicContact CB-CD 4.31Å; E81-K85 VanDerWaalsContact O-CB 3.28Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 WeakPolarHBondContact O-CG 3.11Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 WeakPolarHBondContact OE2-CE 3.35Å; E81-K85 IonicContact OE2-NZ 3.19Å; E81-K85 PolarHBondContact OE2-NZ 3.32Å
82	H	47.5	Very low	53.2	Low	39 Å²	39	73.9 Å²	73.9	18%	0.181	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-27.4	179.5	-129.6	-57.3	0	0	0	112	K78 H86	K78-H82 PolarHBondContact O-N 3.15Å; H82-H86 AromaticContact CE1-CD2 3.88Å; H82-H86 AromaticContact CE1-NE2 3.74Å; H82-H86 AromaticContact ND1-CD2 3.38Å; H82-H86 PolarHBondContact ND1-CD2 3.28Å; H82-H86 AromaticContact ND1-NE2 3.68Å; H82-H86 VanDerWaalsContact O-CB 3.25Å; H82-H86 WeakPolarHBondContact O-CB 3.47Å; H82-H86 PolarHBondContact O-CD2 2.7Å; H82-H86 PolarHBondContact O-N 2.64Å
83	R	42.3	Very low	50.2	Low	176 Å²	176	83.3 Å²	83.3	66%	0.664	39%	0.394	S	S	*	.	H	α-helix	trans	-75.6	-51.7	170.2	-70.3	-177.9	-171.6	-166.2	4	111.7	A79 S80 E81 K85 H86 Q87	A79-R83 WeakPolarHBondContact O-CG 3.45Å; A79-R83 PolarHBondContact O-N 3.42Å; S80-R83 PolarHBondContact O-N 2.92Å; E81-R83 PolarHBondContact O-N 2.89Å; R83-K85 PolarHBondContact O-N 3.41Å; R83-H86 PolarHBondContact O-N 3.33Å; R83-Q87 WeakPolarHBondContact O-CB 3.45Å; R83-Q87 PolarHBondContact O-N 3.04Å
84	E	40.2	Very low	47.1	Very low	120 Å²	120	89.1 Å²	89.1	56%	0.561	42%	0.421	S	S	*	.	H	α-helix	trans	-66.6	-37.2	-176.4	-66.5	-175.4	170.7	0	0	113.3	S80 E81 K88	S80-E84 PolarHBondContact O-N 3.47Å; E81-E84 PolarHBondContact O-N 3.39Å; E84-K88 PolarHBondContact O-N 2.88Å; E84-K88 VanDerWaalsContact O-N 3.07Å
85	K	40.8	Very low	44.3	Very low	99 Å²	99	94 Å²	94	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-75.6	-35.9	178	-69.9	173.8	174.8	168.4	0	112.7	L77 E81 R83 C89	L77-K85 HydrophobicContact CD1-CD 4.4Å; E81-K85 HydrophobicContact CB-CD 4.31Å; E81-K85 VanDerWaalsContact O-CB 3.28Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 WeakPolarHBondContact O-CG 3.11Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 WeakPolarHBondContact OE2-CE 3.35Å; E81-K85 IonicContact OE2-NZ 3.19Å; E81-K85 PolarHBondContact OE2-NZ 3.32Å; R83-K85 PolarHBondContact O-N 3.41Å; K85-C89 PolarHBondContact O-N 2.93Å; K85-C89 VanDerWaalsContact O-N 3.1Å; K85-C89 PolarHBondContact O-SG 2.95Å
86	H	45	Very low	41.4	Very low	70 Å²	70	101.3 Å²	101.3	32%	0.324	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-46.9	168.1	-96.6	-99.5	0	0	0	110.9	H82 R83 K88 C89 E90	H82-H86 AromaticContact CE1-CD2 3.88Å; H82-H86 AromaticContact CE1-NE2 3.74Å; H82-H86 AromaticContact ND1-CD2 3.38Å; H82-H86 PolarHBondContact ND1-CD2 3.28Å; H82-H86 AromaticContact ND1-NE2 3.68Å; H82-H86 VanDerWaalsContact O-CB 3.25Å; H82-H86 WeakPolarHBondContact O-CB 3.47Å; H82-H86 PolarHBondContact O-CD2 2.7Å; H82-H86 PolarHBondContact O-N 2.64Å; R83-H86 PolarHBondContact O-N 3.33Å; H86-K88 PolarHBondContact O-N 3.49Å; H86-C89 CarbonylContact O-C 3.57Å; H86-C89 PolarHBondContact O-N 2.89Å; H86-E90 WeakPolarHBondContact CB-OE1 3.42Å; H86-E90 IonicContact CG-OE1 3.19Å; H86-E90 IonicContact ND1-OE1 3.69Å; H86-E90 PolarHBondContact ND1-OE1 3.23Å; H86-E90 VanDerWaalsContact O-CB 3.23Å; H86-E90 WeakPolarHBondContact O-CB 3.36Å; H86-E90 WeakPolarHBondContact O-CG 3.45Å; H86-E90 PolarHBondContact O-N 3.06Å
87	Q	37.4	Very low	39.5	Very low	94 Å²	94	104.6 Å²	104.6	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-58.6	-37.3	-178.8	-165.3	144.2	6.5	0	0	111.8	R83 E90 E91	R83-Q87 WeakPolarHBondContact O-CB 3.45Å; R83-Q87 PolarHBondContact O-N 3.04Å; Q87-E90 CarbonylContact O-C 3.57Å; Q87-E90 PolarHBondContact O-N 2.92Å; Q87-E91 WeakPolarHBondContact O-CB 3.37Å; Q87-E91 WeakPolarHBondContact O-CG 3.27Å; Q87-E91 PolarHBondContact O-N 2.87Å
88	K	34.8	Very low	37.8	Very low	154 Å²	154	113 Å²	113	67%	0.67	56%	0.556	S	S	*	*	H	α-helix	trans	-70.7	-36.6	171.3	-81.1	-177.8	171.9	178.6	0	115.5	E84 H86 E90 E91	E84-K88 PolarHBondContact O-N 2.88Å; E84-K88 VanDerWaalsContact O-N 3.07Å; H86-K88 PolarHBondContact O-N 3.49Å; K88-E90 VanDerWaalsContact C-N 3.29Å; K88-E91 PolarHBondContact O-N 3.33Å
89	C	33.2	Very low	36.8	Very low	75 Å²	75	112.8 Å²	112.8	51%	0.507	56%	0.563	S	S	.	*	H	α-helix	trans	-75.9	-18.6	173	-66.3	0	0	0	0	112.9	K85 H86	K85-C89 PolarHBondContact O-N 2.93Å; K85-C89 VanDerWaalsContact O-N 3.1Å; K85-C89 PolarHBondContact O-SG 2.95Å; H86-C89 CarbonylContact O-C 3.57Å; H86-C89 PolarHBondContact O-N 2.89Å
90	E	34.8	Very low	36.2	Very low	59 Å²	59	116.2 Å²	116.2	28%	0.276	58%	0.584	S	S	.	*	H	α-helix	trans	-89	-18.1	174.4	-70.4	161.7	-167.9	0	0	111.6	H86 Q87 K88 F93 F108	H86-E90 WeakPolarHBondContact CB-OE1 3.42Å; H86-E90 IonicContact CG-OE1 3.19Å; H86-E90 IonicContact ND1-OE1 3.69Å; H86-E90 PolarHBondContact ND1-OE1 3.23Å; H86-E90 VanDerWaalsContact O-CB 3.23Å; H86-E90 WeakPolarHBondContact O-CB 3.36Å; H86-E90 WeakPolarHBondContact O-CG 3.45Å; H86-E90 PolarHBondContact O-N 3.06Å; Q87-E90 CarbonylContact O-C 3.57Å; Q87-E90 PolarHBondContact O-N 2.92Å; K88-E90 VanDerWaalsContact C-N 3.29Å; E90-F93 PolarHBondContact O-N 3Å; E90-F108 HydrophobicContact CG-CE2 4.46Å; E90-F108 VanDerWaalsContact OE1-CE2 3.28Å; E90-F108 WeakPolarHBondContact OE1-CE2 3.3Å
91	E	34	Very low	35.9	Very low	101 Å²	101	114.7 Å²	114.7	47%	0.472	58%	0.581	S	S	.	*	H	α-helix	trans	-73.5	-24.7	173.5	-85.6	161	-169.8	0	0	113.5	Q87 K88 F93	Q87-E91 WeakPolarHBondContact O-CB 3.37Å; Q87-E91 WeakPolarHBondContact O-CG 3.27Å; Q87-E91 PolarHBondContact O-N 2.87Å; K88-E91 PolarHBondContact O-N 3.33Å; E91-F93 PolarHBondContact O-N 3.07Å
92	E	32.4	Very low	35.3	Very low	174 Å²	174	122.9 Å²	122.9	81%	0.813	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	3.3	170.9	-67.3	-168.3	146	0	0	113.7
93	F	31.6	Very low	34.7	Very low	198 Å²	198	126.2 Å²	126.2	87%	0.868	63%	0.626	S	S	*	*	S	Bend	trans	-135	65.6	178.2	-108.3	-87.6	0	0	0	112.1	E90 E91	E90-F93 PolarHBondContact O-N 3Å; E91-F93 PolarHBondContact O-N 3.07Å
94	Q	29.1	Very low	34.7	Very low	123 Å²	123	121.3 Å²	121.3	58%	0.575	61%	0.612	S	S	*	*			trans	-127.4	162.6	176.4	-55.6	-166.8	5.3	0	0	113.1
95	P	32.7	Very low	34.7	Very low	109 Å²	109	118.3 Å²	118.3	71%	0.708	60%	0.604	S	S	*	*				-134.6	143.2	81.4	32.8	-17.8	0	0	0	116.3
96	M	25.2	Very low	34.8	Very low	153 Å²	153	118.3 Å²	118.3	75%	0.754	61%	0.608	S	S	*	*			trans	60.2	104.5	148.4	-65.1	-175.6	-75.3	0	0	120.1
97	T	36.6	Very low	34.5	Very low	136 Å²	136	117.8 Å²	117.8	83%	0.834	61%	0.61	S	S	*	*				-171.4	141.4	106.9	19.2	0	0	0	0	111.8	V99	T97-V99 PolarHBondContact O-N 3.43Å
98	Q	27.4	Very low	34.8	Very low	199 Å²	199	118 Å²	118	93%	0.93	61%	0.61	S	S	*	*			trans	-73.2	115.3	-178	-69.2	174.7	-20.8	0	0	111.9
99	V	34.1	Very low	35.4	Very low	99 Å²	99	111.9 Å²	111.9	60%	0.6	59%	0.585	S	S	*	*			trans	-139.2	137	168.4	-172.5	0	0	0	0	111.6	T97 G101 M103	T97-V99 PolarHBondContact O-N 3.43Å; V99-G101 PolarHBondContact O-N 2.85Å; V99-M103 HydrophobicContact CG1-CB 4.44Å; V99-M103 HydrophobicContact CG1-SD 3.7Å
100	S	34	Very low	36.1	Very low	109 Å²	109	112.6 Å²	112.6	76%	0.762	58%	0.583	S	S	*	*			trans	-69	118.4	-167.6	-178.6	0	0	0	0	115.6	R102	S100-R102 VanDerWaalsContact C-N 3.27Å; S100-R102 PolarHBondContact O-N 2.95Å
101	G	32.5	Very low	36.5	Very low	47 Å²	47	117 Å²	117	49%	0.485	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	58	-38.2	130.8	0	0	0	0	0	122.2	V99	V99-G101 PolarHBondContact O-N 2.85Å
102	R	35.9	Very low	37.1	Very low	247 Å²	247	115.8 Å²	115.8	93%	0.932	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	-8.9	179.7	-75.9	-177.2	173	169	-1.8	113.7	S100	S100-R102 VanDerWaalsContact C-N 3.27Å; S100-R102 PolarHBondContact O-N 2.95Å
103	M	34.2	Very low	38.1	Very low	108 Å²	108	109.9 Å²	109.9	53%	0.532	58%	0.579	S	S	.	*	S	Bend	trans	-86.7	-17.7	-177.4	-146.5	162.3	-171.7	0	0	113.7	V99 S105 L106 V107	V99-M103 HydrophobicContact CG1-CB 4.44Å; V99-M103 HydrophobicContact CG1-SD 3.7Å; M103-S105 PolarHBondContact O-N 3.47Å; M103-L106 PolarHBondContact O-N 2.95Å; M103-V107 HydrophobicContact CG-CG2 4.38Å; M103-V107 WeakPolarHBondContact O-CG2 3.13Å; M103-V107 PolarHBondContact O-N 2.83Å; M103-V107 VanDerWaalsContact O-N 3.09Å
104	I	42.9	Very low	39.1	Very low	73 Å²	73	101.4 Å²	101.4	37%	0.374	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-38.8	-167.8	-59.3	169.3	0	0	0	112.7	L106 V107 F108	I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.32Å; I104-V107 PolarHBondContact O-N 2.76Å; I104-F108 PolarHBondContact O-N 3.38Å
105	S	41.3	Very low	40.2	Very low	58 Å²	58	100.4 Å²	100.4	41%	0.406	55%	0.551	S	S	.	*	H	α-helix	trans	-69.1	-29.1	178.8	-169.7	0	0	0	0	113.6	M103	M103-S105 PolarHBondContact O-N 3.47Å
106	L	40.8	Very low	41.5	Very low	98 Å²	98	98.3 Å²	98.3	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-78.3	-42.5	176.1	-155.5	89.7	0	0	0	110.7	M103 I104 F108 V109 I110	M103-L106 PolarHBondContact O-N 2.95Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.32Å; L106-F108 VanDerWaalsContact C-N 3.29Å; L106-F108 PolarHBondContact O-N 3.32Å; L106-V109 PolarHBondContact O-N 2.87Å; L106-I110 HydrophobicContact CD2-CD1 4.33Å; L106-I110 HydrophobicContact CG-CD1 4.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.38Å; L106-I110 PolarHBondContact O-N 3.07Å; L106-I110 VanDerWaalsContact O-N 3.11Å
107	V	40	Very low	43.1	Very low	60 Å²	60	92.3 Å²	92.3	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-56.6	-44	172.9	173	0	0	0	0	110	M103 I104 V109 I110 Y111	M103-V107 HydrophobicContact CG-CG2 4.38Å; M103-V107 WeakPolarHBondContact O-CG2 3.13Å; M103-V107 PolarHBondContact O-N 2.83Å; M103-V107 VanDerWaalsContact O-N 3.09Å; I104-V107 PolarHBondContact O-N 2.76Å; V107-V109 VanDerWaalsContact C-N 3.26Å; V107-V109 PolarHBondContact O-N 2.87Å; V107-V109 VanDerWaalsContact O-N 3.15Å; V107-I110 CarbonylContact O-C 3.44Å; V107-I110 WeakPolarHBondContact O-CB 3.36Å; V107-I110 PolarHBondContact O-N 3.08Å; V107-Y111 HydrophobicContact CG1-CD2 3.55Å; V107-Y111 HydrophobicContact CG1-CE2 3.71Å; V107-Y111 WeakPolarHBondContact O-CB 3.36Å; V107-Y111 WeakPolarHBondContact O-CD2 3.05Å; V107-Y111 PolarHBondContact O-N 3.09Å
108	F	43.5	Very low	44.2	Very low	98 Å²	98	91 Å²	91	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-23.3	-177.3	-152.2	-89.6	0	0	0	115	E90 I104 L106 Y111 A112	E90-F108 HydrophobicContact CG-CE2 4.46Å; E90-F108 VanDerWaalsContact OE1-CE2 3.28Å; E90-F108 WeakPolarHBondContact OE1-CE2 3.3Å; I104-F108 PolarHBondContact O-N 3.38Å; L106-F108 VanDerWaalsContact C-N 3.29Å; L106-F108 PolarHBondContact O-N 3.32Å; F108-Y111 CarbonylContact O-C 3.59Å; F108-A112 VanDerWaalsContact O-CB 3.3Å; F108-A112 WeakPolarHBondContact O-CB 3.48Å; F108-A112 PolarHBondContact O-N 3.14Å
109	V	48.3	Very low	45.9	Very low	25 Å²	25	85.8 Å²	85.8	15%	0.152	48%	0.477	C	S	.	.	H	α-helix	trans	-100.2	-19	174.5	164.8	0	0	0	0	113.9	L106 V107 A112 L113 L405	L106-V109 PolarHBondContact O-N 2.87Å; V107-V109 VanDerWaalsContact C-N 3.26Å; V107-V109 PolarHBondContact O-N 2.87Å; V107-V109 VanDerWaalsContact O-N 3.15Å; V109-A112 HydrophobicContact CG2-CB 4.32Å; V109-L113 HydrophobicContact CG1-CD1 4.19Å; V109-L113 HydrophobicContact CG1-CG 4.47Å; V109-L113 VanDerWaalsContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CB 3.46Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.45Å; V109-L113 PolarHBondContact O-N 3.29Å; V109-L113 VanDerWaalsContact O-N 3.09Å; V109-L405 HydrophobicContact CB-CD1 3.65Å; V109-L405 HydrophobicContact CB-CD2 4.28Å; V109-L405 HydrophobicContact CB-CG 3.88Å; V109-L405 HydrophobicContact CG1-CD1 4.09Å; V109-L405 HydrophobicContact CG1-CG 4.14Å; V109-L405 HydrophobicContact CG2-CD1 3.8Å; V109-L405 HydrophobicContact CG2-CD2 3.44Å; V109-L405 VanDerWaalsContact CG2-CD2 3.44Å; V109-L405 HydrophobicContact CG2-CG 3.5Å; V109-L405 VanDerWaalsContact CG2-CG 3.5Å
110	I	47.4	Very low	47.5	Very low	90 Å²	90	81.4 Å²	81.4	46%	0.462	45%	0.45	S	S	.	.	H	α-helix	trans	-61.7	-35.2	154.8	-65.3	164.3	0	0	0	109.6	L106 V107 S114	L106-I110 HydrophobicContact CD2-CD1 4.33Å; L106-I110 HydrophobicContact CG-CD1 4.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.38Å; L106-I110 PolarHBondContact O-N 3.07Å; L106-I110 VanDerWaalsContact O-N 3.11Å; V107-I110 CarbonylContact O-C 3.44Å; V107-I110 WeakPolarHBondContact O-CB 3.36Å; V107-I110 PolarHBondContact O-N 3.08Å; I110-S114 WeakPolarHBondContact O-CA 3.22Å; I110-S114 WeakPolarHBondContact O-CB 3.46Å; I110-S114 PolarHBondContact O-N 3.43Å
111	Y	43.3	Very low	49.1	Very low	152 Å²	152	79.2 Å²	79.2	60%	0.596	43%	0.429	S	S	*	.	H	α-helix	trans	-82.3	-36	176	-90.1	-97.9	0	0	0	115.1	V107 F108 L113 S114	V107-Y111 HydrophobicContact CG1-CD2 3.55Å; V107-Y111 HydrophobicContact CG1-CE2 3.71Å; V107-Y111 WeakPolarHBondContact O-CB 3.36Å; V107-Y111 WeakPolarHBondContact O-CD2 3.05Å; V107-Y111 PolarHBondContact O-N 3.09Å; F108-Y111 CarbonylContact O-C 3.59Å; Y111-L113 VanDerWaalsContact C-N 3.27Å; Y111-L113 PolarHBondContact O-N 3.15Å; Y111-S114 WeakPolarHBondContact O-CB 3.49Å; Y111-S114 PolarHBondContact O-N 3.3Å; Y111-S114 PolarHBondContact O-OG 2.84Å
112	A	46.6	Very low	50.9	Low	75 Å²	75	81.7 Å²	81.7	62%	0.62	43%	0.428	S	S	*	.	H	α-helix	trans	-70.1	-28.6	173.6	0	0	0	0	0	111.7	F108 V109	F108-A112 VanDerWaalsContact O-CB 3.3Å; F108-A112 WeakPolarHBondContact O-CB 3.48Å; F108-A112 PolarHBondContact O-N 3.14Å; V109-A112 HydrophobicContact CG2-CB 4.32Å
113	L	52.5	Low	52.5	Low	50 Å²	50	72 Å²	72	26%	0.262	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.9	164.6	-65.4	169.2	0	0	0	112.7	V109 Y111 G117	V109-L113 HydrophobicContact CG1-CD1 4.19Å; V109-L113 HydrophobicContact CG1-CG 4.47Å; V109-L113 VanDerWaalsContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CB 3.46Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.45Å; V109-L113 PolarHBondContact O-N 3.29Å; V109-L113 VanDerWaalsContact O-N 3.09Å; Y111-L113 VanDerWaalsContact C-N 3.27Å; Y111-L113 PolarHBondContact O-N 3.15Å; L113-G117 WeakPolarHBondContact O-CA 3.31Å; L113-G117 PolarHBondContact O-N 2.87Å
114	S	52	Low	54.4	Low	21 Å²	21	67 Å²	67	15%	0.147	37%	0.37	C	S	.	.	I	π-helix	trans	-68.2	-48.2	-157.7	59.6	0	0	0	0	114.6	I110 Y111 L116 Q118	I110-S114 WeakPolarHBondContact O-CA 3.22Å; I110-S114 WeakPolarHBondContact O-CB 3.46Å; I110-S114 PolarHBondContact O-N 3.43Å; Y111-S114 WeakPolarHBondContact O-CB 3.49Å; Y111-S114 PolarHBondContact O-N 3.3Å; Y111-S114 PolarHBondContact O-OG 2.84Å; S114-L116 PolarHBondContact O-N 3.49Å; S114-Q118 WeakPolarHBondContact O-CA 2.82Å; S114-Q118 WeakPolarHBondContact O-CB 3.2Å; S114-Q118 VanDerWaalsContact O-CG 3.26Å; S114-Q118 WeakPolarHBondContact O-CG 3.44Å; S114-Q118 PolarHBondContact O-N 3.34Å
115	S	52.6	Low	55.9	Low	102 Å²	102	67.8 Å²	67.8	71%	0.713	38%	0.375	S	S	*	.	I	π-helix	trans	-57.7	-55.2	-175.5	172.4	0	0	0	0	111	V119	S115-V119 VanDerWaalsContact O-CB 3.29Å; S115-V119 WeakPolarHBondContact O-CB 3.21Å; S115-V119 WeakPolarHBondContact O-CG2 3.36Å; S115-V119 PolarHBondContact O-N 3.28Å
116	L	59.8	Low	57.6	Low	65 Å²	65	69.2 Å²	69.2	34%	0.34	38%	0.375	S	S	.	.	I	π-helix	trans	-85.6	-39.4	-175.3	-163.1	75.8	0	0	0	112.4	S114 V119 L120 V164	S114-L116 PolarHBondContact O-N 3.49Å; L116-V119 PolarHBondContact O-N 3.35Å; L116-L120 HydrophobicContact CD1-CD1 4.41Å; L116-L120 HydrophobicContact CD2-CD1 3.99Å; L116-L120 HydrophobicContact CG-CD1 3.65Å; L116-L120 HydrophobicContact CG-CG 4.3Å; L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.47Å; L116-L120 WeakPolarHBondContact O-CD1 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.24Å; L116-L120 PolarHBondContact O-N 2.96Å; L116-V164 HydrophobicContact CD2-CG2 3.69Å
117	G	60.6	Low	59.2	Low	26 Å²	26	64.8 Å²	64.8	27%	0.268	35%	0.352	S	S	.	.	I	π-helix	trans	-74.2	-33.2	-177.7	0	0	0	0	0	114.3	L113 L121	L113-G117 WeakPolarHBondContact O-CA 3.31Å; L113-G117 PolarHBondContact O-N 2.87Å; G117-L121 WeakPolarHBondContact O-CB 3.49Å; G117-L121 PolarHBondContact O-N 3.34Å
118	Q	58.8	Low	61.2	Low	108 Å²	108	65 Å²	65	51%	0.505	35%	0.349	S	S	.	.	I	π-helix	trans	-71.1	-43.5	168.6	-63.3	173.3	0.1	0	0	110.1	S114 L120 L121 Q122	S114-Q118 WeakPolarHBondContact O-CA 2.82Å; S114-Q118 WeakPolarHBondContact O-CB 3.2Å; S114-Q118 VanDerWaalsContact O-CG 3.26Å; S114-Q118 WeakPolarHBondContact O-CG 3.44Å; S114-Q118 PolarHBondContact O-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.95Å; Q118-L121 PolarHBondContact O-N 3.36Å; Q118-Q122 WeakPolarHBondContact O-CB 3.4Å; Q118-Q122 PolarHBondContact O-N 2.95Å
119	V	63.2	Low	63	Low	90 Å²	90	67 Å²	67	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-44	175.5	166	0	0	0	0	111.8	S115 L116 L123	S115-V119 VanDerWaalsContact O-CB 3.29Å; S115-V119 WeakPolarHBondContact O-CB 3.21Å; S115-V119 WeakPolarHBondContact O-CG2 3.36Å; S115-V119 PolarHBondContact O-N 3.28Å; L116-V119 PolarHBondContact O-N 3.35Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 PolarHBondContact O-N 2.97Å
120	L	67.2	Low	64.4	Low	8 Å²	8	69.4 Å²	69.4	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-73.6	-32.6	179.8	-70.2	166.4	0	0	0	113	L116 Q118 L123 T124 A157 L161 L394	L116-L120 HydrophobicContact CD1-CD1 4.41Å; L116-L120 HydrophobicContact CD2-CD1 3.99Å; L116-L120 HydrophobicContact CG-CD1 3.65Å; L116-L120 HydrophobicContact CG-CG 4.3Å; L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.47Å; L116-L120 WeakPolarHBondContact O-CD1 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.24Å; L116-L120 PolarHBondContact O-N 2.96Å; Q118-L120 PolarHBondContact O-N 2.95Å; L120-L123 HydrophobicContact CD2-CD2 4.48Å; L120-T124 WeakPolarHBondContact O-CB 3.37Å; L120-T124 PolarHBondContact O-N 2.59Å; L120-T124 PolarHBondContact O-OG1 3.34Å; L120-A157 HydrophobicContact CD2-CB 3.61Å; L120-L161 HydrophobicContact CD1-CD2 3.62Å; L120-L161 HydrophobicContact CD1-CG 3.9Å; L120-L394 HydrophobicContact CB-CD2 4.15Å
121	L	68.4	Low	66	Low	62 Å²	62	65.6 Å²	65.6	33%	0.325	35%	0.35	S	S	.	.	H	α-helix	trans	-69.4	-46.3	172.6	-177.1	64.1	0	0	0	111.1	G117 Q118 T124 L125 L394	G117-L121 WeakPolarHBondContact O-CB 3.49Å; G117-L121 PolarHBondContact O-N 3.34Å; Q118-L121 PolarHBondContact O-N 3.36Å; L121-T124 PolarHBondContact O-N 3.48Å; L121-L125 HydrophobicContact CG-CD1 4.4Å; L121-L125 WeakPolarHBondContact O-CG 3.36Å; L121-L125 PolarHBondContact O-N 3.17Å; L121-L394 HydrophobicContact CD1-CD1 4.21Å
122	Q	69.6	Low	67.7	Low	99 Å²	99	60.4 Å²	60.4	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-50.2	175.8	-179.4	63.1	19.8	0	0	110.6	Q118 T124 L125 E126	Q118-Q122 WeakPolarHBondContact O-CB 3.4Å; Q118-Q122 PolarHBondContact O-N 2.95Å; Q122-T124 VanDerWaalsContact C-N 3.26Å; Q122-T124 PolarHBondContact O-N 2.63Å; Q122-L125 PolarHBondContact O-N 3.36Å; Q122-L125 VanDerWaalsContact O-N 3.11Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.42Å; Q122-E126 PolarHBondContact NE2-OE1 3.34Å; Q122-E126 WeakPolarHBondContact O-CG 3.27Å; Q122-E126 PolarHBondContact O-N 3.01Å
123	L	70.4	Confident	69.2	Low	43 Å²	43	60.4 Å²	60.4	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-54.3	-44.2	173.9	-176.9	71.8	0	0	0	110.8	V119 L120 L125 E126 L127 A157	V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 PolarHBondContact O-N 2.97Å; L120-L123 HydrophobicContact CD2-CD2 4.48Å; L123-L125 PolarHBondContact O-N 3.08Å; L123-E126 PolarHBondContact O-N 2.89Å; L123-L127 HydrophobicContact CD1-CD1 4.45Å; L123-L127 HydrophobicContact CD1-CG 4.46Å; L123-L127 HydrophobicContact CD2-CD1 4.36Å; L123-L127 HydrophobicContact CG-CD1 3.8Å; L123-L127 HydrophobicContact CG-CG 4.25Å; L123-L127 VanDerWaalsContact O-CB 3.3Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 WeakPolarHBondContact O-CD1 3.48Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.34Å; L123-A157 HydrophobicContact CD2-CB 3.68Å
124	T	72.9	Confident	70.5	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-37.3	179.3	-56	0	0	0	0	112.6	L120 L121 Q122 E128 Q390 K391 L394	L120-T124 WeakPolarHBondContact O-CB 3.37Å; L120-T124 PolarHBondContact O-N 2.59Å; L120-T124 PolarHBondContact O-OG1 3.34Å; L121-T124 PolarHBondContact O-N 3.48Å; Q122-T124 VanDerWaalsContact C-N 3.26Å; Q122-T124 PolarHBondContact O-N 2.63Å; T124-E128 WeakPolarHBondContact O-CB 3.45Å; T124-E128 WeakPolarHBondContact O-CG 3.43Å; T124-E128 PolarHBondContact O-N 3.06Å; T124-Q390 HydrophobicContact CG2-CG 4.02Å; T124-Q390 WeakPolarHBondContact OG1-CG 3.39Å; T124-K391 HydrophobicContact CG2-CG 4.21Å; T124-L394 HydrophobicContact CG2-CD1 3.94Å; T124-L394 VanDerWaalsContact OG1-CD1 3.24Å; T124-L394 WeakPolarHBondContact OG1-CD1 3.13Å
125	L	75.9	Confident	71.6	Confident	90 Å²	90	60.7 Å²	60.7	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-68.1	-36	174.2	-69.2	169.8	0	0	0	112.5	L121 Q122 L123 K129	L121-L125 HydrophobicContact CG-CD1 4.4Å; L121-L125 WeakPolarHBondContact O-CG 3.36Å; L121-L125 PolarHBondContact O-N 3.17Å; Q122-L125 PolarHBondContact O-N 3.36Å; Q122-L125 VanDerWaalsContact O-N 3.11Å; L123-L125 PolarHBondContact O-N 3.08Å; L125-K129 WeakPolarHBondContact O-CB 3.39Å; L125-K129 PolarHBondContact O-N 3.02Å; L125-K129 VanDerWaalsContact O-N 3.08Å
126	E	76.3	Confident	72.9	Confident	88 Å²	88	65.7 Å²	65.7	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-49.5	173.5	-72.5	170.5	-178	0	0	111.1	Q122 L123 E128 K129 D130	Q122-E126 WeakPolarHBondContact CG-OE1 3.42Å; Q122-E126 PolarHBondContact NE2-OE1 3.34Å; Q122-E126 WeakPolarHBondContact O-CG 3.27Å; Q122-E126 PolarHBondContact O-N 3.01Å; L123-E126 PolarHBondContact O-N 2.89Å; E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 PolarHBondContact O-N 2.74Å; E126-K129 WeakPolarHBondContact O-CB 3.4Å; E126-K129 PolarHBondContact O-N 3.19Å; E126-K129 VanDerWaalsContact O-N 3.09Å; E126-D130 WeakPolarHBondContact O-CB 3.46Å; E126-D130 PolarHBondContact O-N 2.95Å
127	L	75	Confident	73.8	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-55.1	-42.1	174.4	-69.9	164.8	0	0	0	111.9	L123 L131 L150 K153 V154 V387	L123-L127 HydrophobicContact CD1-CD1 4.45Å; L123-L127 HydrophobicContact CD1-CG 4.46Å; L123-L127 HydrophobicContact CD2-CD1 4.36Å; L123-L127 HydrophobicContact CG-CD1 3.8Å; L123-L127 HydrophobicContact CG-CG 4.25Å; L123-L127 VanDerWaalsContact O-CB 3.3Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 WeakPolarHBondContact O-CD1 3.48Å; L123-L127 WeakPolarHBondContact O-CG 3.43Å; L123-L127 PolarHBondContact O-N 3.34Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 PolarHBondContact O-N 3.49Å; L127-L150 HydrophobicContact CD2-CD1 3.48Å; L127-L150 VanDerWaalsContact CD2-CD1 3.48Å; L127-L150 HydrophobicContact CD2-CG 3.66Å; L127-K153 HydrophobicContact CD2-CB 4.26Å; L127-V154 HydrophobicContact CD1-CG2 3.68Å; L127-V154 HydrophobicContact CD2-CG2 3.92Å; L127-V154 HydrophobicContact CG-CG2 4.33Å; L127-V387 HydrophobicContact CB-CG2 4.45Å
128	E	80.3	Confident	74.4	Confident	66 Å²	66	70.9 Å²	70.9	31%	0.308	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-48.7	173.4	-84	-154.2	95.2	0	0	113	T124 E126 L131 S132 V387 K391	T124-E128 WeakPolarHBondContact O-CB 3.45Å; T124-E128 WeakPolarHBondContact O-CG 3.43Å; T124-E128 PolarHBondContact O-N 3.06Å; E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 PolarHBondContact O-N 2.74Å; E128-L131 PolarHBondContact O-N 3.31Å; E128-S132 VanDerWaalsContact O-CB 3.27Å; E128-S132 WeakPolarHBondContact O-CB 3.31Å; E128-S132 PolarHBondContact O-N 3.44Å; E128-S132 PolarHBondContact O-OG 3.28Å; E128-V387 HydrophobicContact CG-CG1 3.6Å; E128-K391 WeakPolarHBondContact OE1-CE 3.28Å; E128-K391 IonicContact OE1-NZ 2.59Å; E128-K391 PolarHBondContact OE1-NZ 3.32Å; E128-K391 WeakPolarHBondContact OE2-CE 3.44Å; E128-K391 IonicContact OE2-NZ 2.89Å; E128-K391 PolarHBondContact OE2-NZ 3.46Å
129	K	81.3	Confident	75.5	Confident	140 Å²	140	68 Å²	68	61%	0.609	34%	0.342	S	S	*	.	H	α-helix	trans	-61.9	-49.1	-178.2	-175.7	-176.4	176.4	-171.2	0	110.1	L125 E126 S132 N133	L125-K129 WeakPolarHBondContact O-CB 3.39Å; L125-K129 PolarHBondContact O-N 3.02Å; L125-K129 VanDerWaalsContact O-N 3.08Å; E126-K129 WeakPolarHBondContact O-CB 3.4Å; E126-K129 PolarHBondContact O-N 3.19Å; E126-K129 VanDerWaalsContact O-N 3.09Å; K129-S132 PolarHBondContact O-N 3.17Å; K129-S132 PolarHBondContact O-OG 3.3Å; K129-N133 PolarHBondContact O-N 3.49Å; K129-N133 VanDerWaalsContact O-N 3.15Å; K129-N133 PolarHBondContact O-ND2 3.3Å; K129-N133 VanDerWaalsContact O-ND2 3.07Å
130	D	79.2	Confident	76.3	Confident	75 Å²	75	65.4 Å²	65.4	40%	0.401	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-46.9	179.3	-69.1	-10.5	0	0	0	111.2	E126 S132 N133 L134 L150	E126-D130 WeakPolarHBondContact O-CB 3.46Å; E126-D130 PolarHBondContact O-N 2.95Å; D130-S132 VanDerWaalsContact C-N 3.35Å; D130-S132 PolarHBondContact O-N 3.11Å; D130-N133 WeakPolarHBondContact O-CB 3.17Å; D130-N133 PolarHBondContact O-N 2.85Å; D130-N133 VanDerWaalsContact O-N 3.16Å; D130-L134 WeakPolarHBondContact O-CB 3.4Å; D130-L134 WeakPolarHBondContact O-CG 3.41Å; D130-L134 PolarHBondContact O-N 3.29Å; D130-L150 HydrophobicContact CB-CD1 4.42Å
131	L	80.5	Confident	76.9	Confident	9 Å²	9	70.3 Å²	70.3	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-40.1	177.3	-174.9	63.1	0	0	0	112.4	L127 E128 N133 L134 T135 L150 L383 V384 V387	L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 PolarHBondContact O-N 3.49Å; E128-L131 PolarHBondContact O-N 3.31Å; L131-N133 PolarHBondContact O-N 2.84Å; L131-L134 PolarHBondContact O-N 2.87Å; L131-T135 HydrophobicContact CD1-CG2 3.71Å; L131-T135 HydrophobicContact CG-CG2 4.12Å; L131-T135 WeakPolarHBondContact O-CB 3.13Å; L131-T135 WeakPolarHBondContact O-CG2 3.26Å; L131-T135 PolarHBondContact O-N 3.04Å; L131-T135 PolarHBondContact O-OG1 2.83Å; L131-L150 HydrophobicContact CB-CD2 4.16Å; L131-L150 HydrophobicContact CD1-CD2 4.2Å; L131-L383 HydrophobicContact CD1-CB 3.56Å; L131-L383 HydrophobicContact CD1-CD1 3.96Å; L131-L383 HydrophobicContact CD1-CG 4.42Å; L131-L383 HydrophobicContact CD2-CB 4.03Å; L131-L383 HydrophobicContact CG-CB 4.47Å; L131-V384 HydrophobicContact CD2-CB 4.39Å; L131-V384 HydrophobicContact CD2-CG2 3.79Å; L131-V384 HydrophobicContact CG-CG2 4.3Å; L131-V387 HydrophobicContact CD2-CB 4.28Å; L131-V387 HydrophobicContact CD2-CG2 3.87Å
132	S	78.4	Confident	77.6	Confident	44 Å²	44	74.9 Å²	74.9	31%	0.308	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-25.8	177.5	78	0	0	0	0	113.2	E128 K129 D130 R136	E128-S132 VanDerWaalsContact O-CB 3.27Å; E128-S132 WeakPolarHBondContact O-CB 3.31Å; E128-S132 PolarHBondContact O-N 3.44Å; E128-S132 PolarHBondContact O-OG 3.28Å; K129-S132 PolarHBondContact O-N 3.17Å; K129-S132 PolarHBondContact O-OG 3.3Å; D130-S132 VanDerWaalsContact C-N 3.35Å; D130-S132 PolarHBondContact O-N 3.11Å; S132-R136 WeakPolarHBondContact O-CD 3.42Å; S132-R136 VanDerWaalsContact O-CG 3.25Å; S132-R136 WeakPolarHBondContact O-CG 3.14Å
133	N	78.9	Confident	78.3	Confident	75 Å²	75	71.1 Å²	71.1	40%	0.401	36%	0.361	S	S	.	.	H	α-helix	trans	-80.3	-49.3	172.4	-67.1	-38.5	0	0	0	110.8	K129 D130 L131 T135 R136 Q137	K129-N133 PolarHBondContact O-N 3.49Å; K129-N133 VanDerWaalsContact O-N 3.15Å; K129-N133 PolarHBondContact O-ND2 3.3Å; K129-N133 VanDerWaalsContact O-ND2 3.07Å; D130-N133 WeakPolarHBondContact O-CB 3.17Å; D130-N133 PolarHBondContact O-N 2.85Å; D130-N133 VanDerWaalsContact O-N 3.16Å; L131-N133 PolarHBondContact O-N 2.84Å; N133-T135 PolarHBondContact O-N 2.86Å; N133-R136 PolarHBondContact O-N 3Å; N133-Q137 WeakPolarHBondContact O-CG 3.29Å; N133-Q137 PolarHBondContact O-N 3.47Å
134	L	78.9	Confident	78.9	Confident	13 Å²	13	69 Å²	69	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-43.8	-177.3	-73	163.6	0	0	0	112.8	D130 L131 R136 Q137 N143 I146 F147 Y376	D130-L134 WeakPolarHBondContact O-CB 3.4Å; D130-L134 WeakPolarHBondContact O-CG 3.41Å; D130-L134 PolarHBondContact O-N 3.29Å; L131-L134 PolarHBondContact O-N 2.87Å; L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.25Å; L134-Q137 PolarHBondContact O-N 3.5Å; L134-N143 HydrophobicContact CD2-CB 4.01Å; L134-I146 HydrophobicContact CD1-CG2 3.94Å; L134-I146 HydrophobicContact CD2-CD1 4.05Å; L134-F147 HydrophobicContact CB-CE1 3.84Å; L134-F147 HydrophobicContact CB-CZ 4.24Å; L134-F147 HydrophobicContact CD1-CD1 4.38Å; L134-F147 HydrophobicContact CD1-CE1 4.21Å; L134-F147 HydrophobicContact CD2-CE1 4.09Å; L134-F147 HydrophobicContact CG-CE1 4.27Å; L134-Y376 PolarHBondContact O-OH 2.81Å
135	T	76.3	Confident	79.5	Confident	64 Å²	64	71 Å²	71	39%	0.393	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.4	179.8	51.1	0	0	0	0	114.3	L131 N133 V384	L131-T135 HydrophobicContact CD1-CG2 3.71Å; L131-T135 HydrophobicContact CG-CG2 4.12Å; L131-T135 WeakPolarHBondContact O-CB 3.13Å; L131-T135 WeakPolarHBondContact O-CG2 3.26Å; L131-T135 PolarHBondContact O-N 3.04Å; L131-T135 PolarHBondContact O-OG1 2.83Å; N133-T135 PolarHBondContact O-N 2.86Å; T135-V384 HydrophobicContact CG2-CG2 4.4Å
136	R	78.8	Confident	80	Confident	206 Å²	206	70 Å²	70	78%	0.777	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.9	174.8	-71.5	178.1	-178.5	173.8	0.4	113.5	S132 N133 L134	S132-R136 WeakPolarHBondContact O-CD 3.42Å; S132-R136 VanDerWaalsContact O-CG 3.25Å; S132-R136 WeakPolarHBondContact O-CG 3.14Å; N133-R136 PolarHBondContact O-N 3Å; L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.25Å
137	Q	78	Confident	80.7	Confident	91 Å²	91	65.8 Å²	65.8	43%	0.425	34%	0.341	S	S	.	.	S	Bend	trans	-84.7	145.8	179.9	-72	178.8	14.7	0	0	110.7	N133 L134 N143	N133-Q137 WeakPolarHBondContact O-CG 3.29Å; N133-Q137 PolarHBondContact O-N 3.47Å; L134-Q137 PolarHBondContact O-N 3.5Å; Q137-N143 PolarHBondContact OE1-ND2 2.99Å; Q137-N143 PolarHBondContact OE1-OD1 3.05Å
138	P	74.7	Confident	81.4	Confident	109 Å²	109	66.8 Å²	66.8	71%	0.708	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-62	159.8	171.1	29.7	-35.6	0	0	0	110.4	S140	P138-S140 PolarHBondContact O-N 3.02Å
139	F	80.8	Confident	81.8	Confident	48 Å²	48	69 Å²	69	21%	0.211	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-52.1	125.2	176.3	169.8	-118.5	0	0	0	111.9	V141 A144 L363 Q372 N373 Y376	F139-V141 HydrophobicContact CZ-CG2 4.34Å; F139-A144 HydrophobicContact CE2-CB 4.16Å; F139-L363 HydrophobicContact CE2-CD1 3.97Å; F139-L363 HydrophobicContact CE2-CD2 3.96Å; F139-L363 HydrophobicContact CE2-CG 4.39Å; F139-L363 HydrophobicContact CZ-CD1 4.08Å; F139-L363 HydrophobicContact CZ-CD2 4.47Å; F139-L363 HydrophobicContact CZ-CG 4.5Å; F139-Q372 HydrophobicContact CD1-CB 4.29Å; F139-Q372 HydrophobicContact CE1-CB 3.88Å; F139-Q372 HydrophobicContact CE1-CG 4.41Å; F139-Q372 HydrophobicContact CZ-CB 4.16Å; F139-N373 WeakPolarHBondContact CB-OD1 3.4Å; F139-Y376 HydrophobicContact CB-CD1 4.24Å; F139-Y376 HydrophobicContact CB-CG 4.27Å; F139-Y376 AromaticContact CD2-CD2 3.76Å; F139-Y376 HydrophobicContact CD2-CD2 3.76Å; F139-Y376 HydrophobicContact CD2-CE2 4.47Å; F139-Y376 AromaticContact CD2-CG 3.81Å; F139-Y376 HydrophobicContact CD2-CG 3.81Å; F139-Y376 HydrophobicContact CE2-CD2 4.48Å; F139-Y376 HydrophobicContact CG-CG 4.5Å
140	S	80.3	Confident	82.1	Confident	35 Å²	35	62.6 Å²	62.6	25%	0.245	33%	0.331	C	S	.	.			trans	-136.2	151	163.9	81.7	0	0	0	0	109.1	P138 E142 N143 A144	P138-S140 PolarHBondContact O-N 3.02Å; S140-E142 PolarHBondContact O-N 3.15Å; S140-N143 PolarHBondContact O-N 3.22Å; S140-N143 VanDerWaalsContact OG-CB 3.3Å; S140-N143 WeakPolarHBondContact OG-CB 3.06Å; S140-N143 PolarHBondContact OG-N 3.16Å; S140-N143 PolarHBondContact OG-ND2 3.48Å; S140-A144 PolarHBondContact O-N 3.35Å
141	V	80.7	Confident	82.7	Confident	111 Å²	111	59 Å²	59	67%	0.673	31%	0.312	S	S	*	.	H	α-helix	trans	-62.6	-35.2	177.8	-179.6	0	0	0	0	110.8	F139 A145	F139-V141 HydrophobicContact CZ-CG2 4.34Å; V141-A145 WeakPolarHBondContact O-CB 3.08Å; V141-A145 PolarHBondContact O-N 2.99Å; V141-A145 VanDerWaalsContact O-N 3.16Å
142	E	82.6	Confident	83.2	Confident	159 Å²	159	65.1 Å²	65.1	74%	0.743	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-48.1	176	-63.5	174.7	-177.1	0	0	111.5	S140 A145	S140-E142 PolarHBondContact O-N 3.15Å; E142-A145 PolarHBondContact O-N 3.43Å
143	N	83.3	Confident	83.6	Confident	19 Å²	19	68.2 Å²	68.2	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-44.9	179.1	-72.6	-8.8	0	0	0	111.5	L134 Q137 S140 A145 I146 F147 Y376	L134-N143 HydrophobicContact CD2-CB 4.01Å; Q137-N143 PolarHBondContact OE1-ND2 2.99Å; Q137-N143 PolarHBondContact OE1-OD1 3.05Å; S140-N143 PolarHBondContact O-N 3.22Å; S140-N143 VanDerWaalsContact OG-CB 3.3Å; S140-N143 WeakPolarHBondContact OG-CB 3.06Å; S140-N143 PolarHBondContact OG-N 3.16Å; S140-N143 PolarHBondContact OG-ND2 3.48Å; N143-A145 VanDerWaalsContact C-N 3.26Å; N143-A145 PolarHBondContact O-N 3.02Å; N143-I146 WeakPolarHBondContact O-CB 3.39Å; N143-I146 PolarHBondContact O-N 3.38Å; N143-I146 VanDerWaalsContact O-N 3.1Å; N143-F147 WeakPolarHBondContact O-CD1 3.36Å; N143-F147 WeakPolarHBondContact O-CE1 3.41Å; N143-Y376 HydrophobicContact CB-CE2 3.89Å; N143-Y376 WeakPolarHBondContact CB-OH 3.46Å
144	A	83.3	Confident	84	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-36.5	179.3	0	0	0	0	0	112.4	F139 S140 I146 F147 P148 Q360 L363 Y376	F139-A144 HydrophobicContact CE2-CB 4.16Å; S140-A144 PolarHBondContact O-N 3.35Å; A144-I146 PolarHBondContact O-N 3.02Å; A144-F147 PolarHBondContact O-N 3.04Å; A144-P148 WeakPolarHBondContact O-CD 3.48Å; A144-Q360 PolarHBondContact O-OE1 3.41Å; A144-L363 HydrophobicContact CB-CD2 3.43Å; A144-L363 VanDerWaalsContact CB-CD2 3.43Å; A144-Y376 HydrophobicContact CB-CD2 3.98Å; A144-Y376 HydrophobicContact CB-CE2 4.28Å
145	A	86.1	Confident	84.7	Confident	45 Å²	45	66 Å²	66	37%	0.372	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-19.3	177.8	0	0	0	0	0	114.4	V141 E142 N143	V141-A145 WeakPolarHBondContact O-CB 3.08Å; V141-A145 PolarHBondContact O-N 2.99Å; V141-A145 VanDerWaalsContact O-N 3.16Å; E142-A145 PolarHBondContact O-N 3.43Å; N143-A145 VanDerWaalsContact C-N 3.26Å; N143-A145 PolarHBondContact O-N 3.02Å
146	I	87.2	Confident	85.3	Confident	69 Å²	69	64.7 Å²	64.7	35%	0.354	33%	0.33	S	S	.	.	H	α-helix	trans	-79.5	-29.4	178.1	-61.5	166.7	0	0	0	111.4	L134 N143 A144 Q149 L150	L134-I146 HydrophobicContact CD1-CG2 3.94Å; L134-I146 HydrophobicContact CD2-CD1 4.05Å; N143-I146 WeakPolarHBondContact O-CB 3.39Å; N143-I146 PolarHBondContact O-N 3.38Å; N143-I146 VanDerWaalsContact O-N 3.1Å; A144-I146 PolarHBondContact O-N 3.02Å; I146-Q149 WeakPolarHBondContact O-CB 3.42Å; I146-Q149 PolarHBondContact O-N 2.76Å; I146-Q149 VanDerWaalsContact O-N 3.14Å; I146-L150 PolarHBondContact O-N 2.8Å
147	F	89.9	Confident	85.5	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-43	-169.5	-76.6	41.4	0	0	0	113.5	L134 N143 A144 Q149 L150 A151 V356 Y376 M379 L383	L134-F147 HydrophobicContact CB-CE1 3.84Å; L134-F147 HydrophobicContact CB-CZ 4.24Å; L134-F147 HydrophobicContact CD1-CD1 4.38Å; L134-F147 HydrophobicContact CD1-CE1 4.21Å; L134-F147 HydrophobicContact CD2-CE1 4.09Å; L134-F147 HydrophobicContact CG-CE1 4.27Å; N143-F147 WeakPolarHBondContact O-CD1 3.36Å; N143-F147 WeakPolarHBondContact O-CE1 3.41Å; A144-F147 PolarHBondContact O-N 3.04Å; F147-Q149 VanDerWaalsContact C-N 3.35Å; F147-Q149 PolarHBondContact O-N 3.45Å; F147-L150 WeakPolarHBondContact O-CB 3.48Å; F147-L150 PolarHBondContact O-N 2.8Å; F147-A151 PolarHBondContact O-N 3.32Å; F147-V356 HydrophobicContact CB-CG1 4.05Å; F147-Y376 AromaticContact CE1-CE2 3.64Å; F147-Y376 HydrophobicContact CE1-CE2 3.64Å; F147-Y376 AromaticContact CE1-CZ 3.97Å; F147-Y376 HydrophobicContact CE2-CD2 4.36Å; F147-Y376 HydrophobicContact CE2-CE2 4.14Å; F147-Y376 HydrophobicContact CZ-CD2 4.04Å; F147-Y376 HydrophobicContact CZ-CE1 4.28Å; F147-Y376 AromaticContact CZ-CE2 3.38Å; F147-Y376 HydrophobicContact CZ-CE2 3.38Å; F147-Y376 AromaticContact CZ-CZ 3.52Å; F147-M379 HydrophobicContact CB-CE 3.66Å; F147-M379 HydrophobicContact CD2-CB 3.59Å; F147-M379 HydrophobicContact CD2-CE 4.23Å; F147-M379 HydrophobicContact CE2-CB 4.1Å; F147-M379 HydrophobicContact CG-CE 4.25Å; F147-L383 HydrophobicContact CB-CD1 3.7Å; F147-L383 HydrophobicContact CD1-CD1 4.35Å; F147-L383 HydrophobicContact CD2-CD1 3.43Å; F147-L383 VanDerWaalsContact CD2-CD1 3.43Å; F147-L383 HydrophobicContact CE2-CD1 4.22Å; F147-L383 HydrophobicContact CG-CD1 3.54Å
148	P	90.5	Very high	86	Confident	25 Å²	25	50.7 Å²	50.7	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-39.9	174.4	-24	34.2	0	0	0	113.4	A144 L150 A151 E152 V356 Q360	A144-P148 WeakPolarHBondContact O-CD 3.48Å; P148-L150 VanDerWaalsContact C-N 3.27Å; P148-L150 PolarHBondContact O-N 3.01Å; P148-A151 PolarHBondContact O-N 3.42Å; P148-E152 PolarHBondContact O-N 3.49Å; P148-V356 HydrophobicContact CG-CG1 4.3Å; P148-Q360 HydrophobicContact CG-CB 3.91Å; P148-Q360 HydrophobicContact CG-CG 3.88Å
149	Q	88.4	Confident	86.8	Confident	112 Å²	112	48.9 Å²	48.9	52%	0.523	26%	0.256	S	S	.	.	H	α-helix	trans	-66.6	-32.4	177.7	-55.1	-180	16.2	0	0	111.6	I146 F147 K153	I146-Q149 WeakPolarHBondContact O-CB 3.42Å; I146-Q149 PolarHBondContact O-N 2.76Å; I146-Q149 VanDerWaalsContact O-N 3.14Å; F147-Q149 VanDerWaalsContact C-N 3.35Å; F147-Q149 PolarHBondContact O-N 3.45Å; Q149-K153 VanDerWaalsContact O-CG 3.28Å; Q149-K153 WeakPolarHBondContact O-CG 3.36Å; Q149-K153 PolarHBondContact O-N 3Å
150	L	87.3	Confident	87	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-43.7	173.9	-150.8	77.5	0	0	0	110.9	L127 D130 L131 I146 F147 P148 K153 V154 L383	L127-L150 HydrophobicContact CD2-CD1 3.48Å; L127-L150 VanDerWaalsContact CD2-CD1 3.48Å; L127-L150 HydrophobicContact CD2-CG 3.66Å; D130-L150 HydrophobicContact CB-CD1 4.42Å; L131-L150 HydrophobicContact CB-CD2 4.16Å; L131-L150 HydrophobicContact CD1-CD2 4.2Å; I146-L150 PolarHBondContact O-N 2.8Å; F147-L150 WeakPolarHBondContact O-CB 3.48Å; F147-L150 PolarHBondContact O-N 2.8Å; P148-L150 VanDerWaalsContact C-N 3.27Å; P148-L150 PolarHBondContact O-N 3.01Å; L150-K153 PolarHBondContact O-N 3.37Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 3Å; L150-L383 HydrophobicContact CB-CD1 4.34Å; L150-L383 HydrophobicContact CB-CD2 4.11Å; L150-L383 HydrophobicContact CD2-CD1 3.96Å; L150-L383 HydrophobicContact CD2-CD2 4.24Å
151	A	91.6	Very high	87.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-47.7	178.2	0	0	0	0	0	112.1	F147 P148 K153 V154 E155 A353 V356 L383 M386	F147-A151 PolarHBondContact O-N 3.32Å; P148-A151 PolarHBondContact O-N 3.42Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.17Å; A151-V154 PolarHBondContact O-N 3.45Å; A151-V154 VanDerWaalsContact O-N 3.16Å; A151-E155 WeakPolarHBondContact O-CB 3.39Å; A151-E155 PolarHBondContact O-N 3.2Å; A151-A353 HydrophobicContact CB-CB 4.09Å; A151-V356 HydrophobicContact CB-CB 4.16Å; A151-V356 HydrophobicContact CB-CG1 4.18Å; A151-V356 HydrophobicContact CB-CG2 4.38Å; A151-L383 HydrophobicContact CB-CD2 3.84Å; A151-M386 HydrophobicContact CB-CE 4.07Å; A151-M386 HydrophobicContact CB-SD 3.98Å
152	E	91.7	Very high	87.5	Confident	136 Å²	136	47.1 Å²	47.1	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-57.2	-43	176.6	-173.9	-173.7	171.4	0	0	111.9	P148 E155 A156	P148-E152 PolarHBondContact O-N 3.49Å; E152-E155 PolarHBondContact O-N 3.45Å; E152-A156 WeakPolarHBondContact O-CB 3.1Å; E152-A156 PolarHBondContact O-N 2.96Å
153	K	87	Confident	87.7	Confident	110 Å²	110	42.7 Å²	42.7	48%	0.478	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-43.4	175.4	-74.7	173.3	-176.7	178.8	0	112.5	L127 Q149 L150 A151 A157	L127-K153 HydrophobicContact CD2-CB 4.26Å; Q149-K153 VanDerWaalsContact O-CG 3.28Å; Q149-K153 WeakPolarHBondContact O-CG 3.36Å; Q149-K153 PolarHBondContact O-N 3Å; L150-K153 PolarHBondContact O-N 3.37Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.17Å; K153-A157 WeakPolarHBondContact O-CB 3.19Å; K153-A157 PolarHBondContact O-N 3.17Å; K153-A157 VanDerWaalsContact O-N 3.07Å
154	V	87.7	Confident	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-44.7	177.2	178.8	0	0	0	0	110.4	L127 L150 A151 A157 S158 M386 V387 Q390	L127-V154 HydrophobicContact CD1-CG2 3.68Å; L127-V154 HydrophobicContact CD2-CG2 3.92Å; L127-V154 HydrophobicContact CG-CG2 4.33Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.43Å; L150-V154 PolarHBondContact O-N 3Å; A151-V154 PolarHBondContact O-N 3.45Å; A151-V154 VanDerWaalsContact O-N 3.16Å; V154-A157 PolarHBondContact O-N 3.46Å; V154-S158 WeakPolarHBondContact O-CB 3.07Å; V154-S158 PolarHBondContact O-N 3.44Å; V154-M386 HydrophobicContact CB-CE 4.01Å; V154-M386 HydrophobicContact CG1-CB 3.99Å; V154-M386 HydrophobicContact CG1-CE 4.12Å; V154-V387 HydrophobicContact CG2-CG2 4.36Å; V154-Q390 HydrophobicContact CG1-CB 4.11Å; V154-Q390 HydrophobicContact CG1-CG 4.45Å
155	E	92.2	Very high	87.6	Confident	41 Å²	41	43.5 Å²	43.5	19%	0.192	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-55	179.1	-169.4	-165.9	169.5	0	0	110.7	A151 E152 A157 S158 Q159 S350 A353	A151-E155 WeakPolarHBondContact O-CB 3.39Å; A151-E155 PolarHBondContact O-N 3.2Å; E152-E155 PolarHBondContact O-N 3.45Å; E155-A157 PolarHBondContact O-N 3.44Å; E155-S158 WeakPolarHBondContact O-CB 3.5Å; E155-S158 PolarHBondContact O-N 3.21Å; E155-S158 PolarHBondContact O-OG 3.38Å; E155-Q159 WeakPolarHBondContact O-CG 3.35Å; E155-Q159 PolarHBondContact O-N 2.84Å; E155-Q159 PolarHBondContact OE1-NE2 2.68Å; E155-S350 VanDerWaalsContact OE1-CB 3.29Å; E155-S350 WeakPolarHBondContact OE1-CB 3.06Å; E155-S350 PolarHBondContact OE1-OG 2.82Å; E155-A353 HydrophobicContact CB-CB 4.3Å; E155-A353 WeakPolarHBondContact OE2-CB 3.28Å
156	A	88.9	Confident	87.7	Confident	37 Å²	37	45.2 Å²	45.2	31%	0.306	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-34.6	179.6	0	0	0	0	0	112.8	E152 R160	E152-A156 WeakPolarHBondContact O-CB 3.1Å; E152-A156 PolarHBondContact O-N 2.96Å; A156-R160 WeakPolarHBondContact O-CG 3.28Å; A156-R160 PolarHBondContact O-N 3.29Å
157	A	84	Confident	87.6	Confident	3 Å²	3	48 Å²	48	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-69.2	-40.3	173.7	0	0	0	0	0	112.4	L120 L123 K153 V154 E155 L161	L120-A157 HydrophobicContact CD2-CB 3.61Å; L123-A157 HydrophobicContact CD2-CB 3.68Å; K153-A157 WeakPolarHBondContact O-CB 3.19Å; K153-A157 PolarHBondContact O-N 3.17Å; K153-A157 VanDerWaalsContact O-N 3.07Å; V154-A157 PolarHBondContact O-N 3.46Å; E155-A157 PolarHBondContact O-N 3.44Å; A157-L161 WeakPolarHBondContact O-CG 3.26Å; A157-L161 PolarHBondContact O-N 3.19Å
158	S	88.4	Confident	87.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-38.1	178.5	79	0	0	0	0	112.4	V154 E155 L161 A162 Q349 M393	V154-S158 WeakPolarHBondContact O-CB 3.07Å; V154-S158 PolarHBondContact O-N 3.44Å; E155-S158 WeakPolarHBondContact O-CB 3.5Å; E155-S158 PolarHBondContact O-N 3.21Å; E155-S158 PolarHBondContact O-OG 3.38Å; S158-L161 PolarHBondContact O-N 3.23Å; S158-A162 PolarHBondContact O-N 3.23Å; S158-Q349 WeakPolarHBondContact OG-CB 3.47Å; S158-M393 VanDerWaalsContact O-CE 3.22Å; S158-M393 WeakPolarHBondContact O-CE 3.46Å
159	Q	90.7	Very high	87.4	Confident	70 Å²	70	48.2 Å²	48.2	33%	0.327	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-50.8	175.6	-67.1	-179.6	8.5	0	0	110.7	E155 L161 A162 D163 K346	E155-Q159 WeakPolarHBondContact O-CG 3.35Å; E155-Q159 PolarHBondContact O-N 2.84Å; E155-Q159 PolarHBondContact OE1-NE2 2.68Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-L161 PolarHBondContact O-N 3.39Å; Q159-A162 PolarHBondContact O-N 3.05Å; Q159-A162 VanDerWaalsContact O-N 3.17Å; Q159-D163 PolarHBondContact O-N 3.05Å; Q159-D163 VanDerWaalsContact O-N 3.08Å; Q159-K346 HydrophobicContact CG-CG 4.26Å
160	R	84.6	Confident	87.4	Confident	147 Å²	147	45.4 Å²	45.4	56%	0.555	23%	0.229	S	C	*	.	H	α-helix	trans	-59.1	-39.5	176.2	-66.5	177.9	-159.9	-161.8	5.6	112.7	A156 D163 V164	A156-R160 WeakPolarHBondContact O-CG 3.28Å; A156-R160 PolarHBondContact O-N 3.29Å; R160-D163 PolarHBondContact O-N 3.14Å; R160-V164 VanDerWaalsContact O-CG2 3.31Å; R160-V164 WeakPolarHBondContact O-CG2 3.36Å; R160-V164 PolarHBondContact O-N 3.02Å
161	L	83.9	Confident	87.5	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-41.4	176.3	-79.2	175.7	0	0	0	112.8	L120 A157 S158 Q159 D163 C165 M342 Q390 M393 L394 A397	L120-L161 HydrophobicContact CD1-CD2 3.62Å; L120-L161 HydrophobicContact CD1-CG 3.9Å; A157-L161 WeakPolarHBondContact O-CG 3.26Å; A157-L161 PolarHBondContact O-N 3.19Å; S158-L161 PolarHBondContact O-N 3.23Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-L161 PolarHBondContact O-N 3.39Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-C165 WeakPolarHBondContact O-CB 3.44Å; L161-C165 PolarHBondContact O-N 2.94Å; L161-C165 PolarHBondContact O-SG 3.46Å; L161-M342 VanDerWaalsContact C-CE 3.49Å; L161-M342 HydrophobicContact CB-CE 3.74Å; L161-M342 WeakPolarHBondContact O-CE 3.29Å; L161-Q390 VanDerWaalsContact CD1-NE2 3.29Å; L161-M393 HydrophobicContact CD1-CB 4.07Å; L161-L394 HydrophobicContact CD1-CD2 3.84Å; L161-L394 HydrophobicContact CD1-CG 3.75Å; L161-L394 HydrophobicContact CD2-CD2 3.75Å; L161-L394 HydrophobicContact CG-CD2 4.43Å; L161-A397 HydrophobicContact CD2-CB 4.21Å
162	A	88.6	Confident	87.5	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-42.2	178	0	0	0	0	0	111.2	S158 Q159 C165 L166 M342 K346 M393	S158-A162 PolarHBondContact O-N 3.23Å; Q159-A162 PolarHBondContact O-N 3.05Å; Q159-A162 VanDerWaalsContact O-N 3.17Å; A162-C165 PolarHBondContact O-N 3.41Å; A162-L166 WeakPolarHBondContact O-CG 3.3Å; A162-L166 PolarHBondContact O-N 3.33Å; A162-M342 HydrophobicContact CB-CE 4.43Å; A162-M342 HydrophobicContact CB-CG 4.01Å; A162-K346 HydrophobicContact CB-CB 4.31Å; A162-K346 HydrophobicContact CB-CD 3.76Å; A162-K346 HydrophobicContact CB-CG 4.27Å; A162-M393 HydrophobicContact CB-CE 4.25Å
163	D	85.7	Confident	87.6	Confident	67 Å²	67	42.9 Å²	42.9	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-67.4	-43.6	-178.9	-57.7	-19.5	0	0	0	111.1	Q159 R160 L161 C165 L166 E167 K346	Q159-D163 PolarHBondContact O-N 3.05Å; Q159-D163 VanDerWaalsContact O-N 3.08Å; R160-D163 PolarHBondContact O-N 3.14Å; L161-D163 VanDerWaalsContact C-N 3.33Å; D163-C165 VanDerWaalsContact C-N 3.3Å; D163-C165 PolarHBondContact O-N 2.84Å; D163-L166 WeakPolarHBondContact O-CB 3.27Å; D163-L166 PolarHBondContact O-N 3.04Å; D163-L166 VanDerWaalsContact O-N 3.15Å; D163-E167 PolarHBondContact O-N 2.9Å; D163-K346 IonicContact OD1-NZ 2.63Å; D163-K346 PolarHBondContact OD1-NZ 3.07Å; D163-K346 IonicContact OD2-NZ 3.48Å; D163-K346 PolarHBondContact OD2-NZ 2.91Å
164	V	81	Confident	87.9	Confident	34 Å²	34	38.8 Å²	38.8	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-36.6	171.7	170.2	0	0	0	0	112.4	L116 R160 E167 L168	L116-V164 HydrophobicContact CD2-CG2 3.69Å; R160-V164 VanDerWaalsContact O-CG2 3.31Å; R160-V164 WeakPolarHBondContact O-CG2 3.36Å; R160-V164 PolarHBondContact O-N 3.02Å; V164-E167 PolarHBondContact O-N 3.44Å; V164-L168 HydrophobicContact CG1-CD1 4.03Å; V164-L168 HydrophobicContact CG1-CG 4.39Å; V164-L168 WeakPolarHBondContact O-CB 3.41Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.46Å; V164-L168 PolarHBondContact O-N 2.98Å
165	C	85.4	Confident	88.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-33.3	176.8	-71.2	0	0	0	0	112.6	L161 A162 D163 V169 M342 A397 F400	L161-C165 WeakPolarHBondContact O-CB 3.44Å; L161-C165 PolarHBondContact O-N 2.94Å; L161-C165 PolarHBondContact O-SG 3.46Å; A162-C165 PolarHBondContact O-N 3.41Å; D163-C165 VanDerWaalsContact C-N 3.3Å; D163-C165 PolarHBondContact O-N 2.84Å; C165-V169 WeakPolarHBondContact O-CG2 3.5Å; C165-V169 PolarHBondContact O-N 2.83Å; C165-M342 HydrophobicContact CB-CE 4.19Å; C165-M342 VanDerWaalsContact SG-CE 3.53Å; C165-A397 VanDerWaalsContact SG-CB 3.58Å; C165-F400 HydrophobicContact CB-CD2 3.84Å; C165-F400 HydrophobicContact CB-CE2 3.85Å
166	L	88.2	Confident	88.3	Confident	82 Å²	82	38.8 Å²	38.8	43%	0.429	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-47.2	172.2	-71.8	166.4	0	0	0	110.9	A162 D163 L168 V169 A170 V339	A162-L166 WeakPolarHBondContact O-CG 3.3Å; A162-L166 PolarHBondContact O-N 3.33Å; D163-L166 WeakPolarHBondContact O-CB 3.27Å; D163-L166 PolarHBondContact O-N 3.04Å; D163-L166 VanDerWaalsContact O-N 3.15Å; L166-L168 PolarHBondContact O-N 2.71Å; L166-V169 PolarHBondContact O-N 2.94Å; L166-A170 PolarHBondContact O-N 3.13Å; L166-V339 HydrophobicContact CD2-CG1 3.46Å; L166-V339 VanDerWaalsContact CD2-CG1 3.46Å
167	E	84.9	Confident	88.5	Confident	127 Å²	127	38.9 Å²	38.9	59%	0.593	19%	0.193	S	C	*	.	H	α-helix	trans	-56.9	-48.3	174.8	-70.7	179.2	177.9	0	0	111.7	D163 V164 V169 A170 E171	D163-E167 PolarHBondContact O-N 2.9Å; V164-E167 PolarHBondContact O-N 3.44Å; E167-V169 PolarHBondContact O-N 3.35Å; E167-A170 PolarHBondContact O-N 3.33Å; E167-A170 VanDerWaalsContact O-N 3.17Å; E167-E171 WeakPolarHBondContact O-CG 3.48Å; E167-E171 PolarHBondContact O-N 3.38Å
168	L	86.1	Confident	89	Confident	15 Å²	15	38.7 Å²	38.7	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-29.5	178.8	-75.8	171.5	0	0	0	113.5	V164 L166 Q172 F400 K404	V164-L168 HydrophobicContact CG1-CD1 4.03Å; V164-L168 HydrophobicContact CG1-CG 4.39Å; V164-L168 WeakPolarHBondContact O-CB 3.41Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.46Å; V164-L168 PolarHBondContact O-N 2.98Å; L166-L168 PolarHBondContact O-N 2.71Å; L168-Q172 VanDerWaalsContact O-CG 3.27Å; L168-Q172 WeakPolarHBondContact O-CG 3.31Å; L168-Q172 PolarHBondContact O-N 3.44Å; L168-Q172 PolarHBondContact O-NE2 3.5Å; L168-F400 HydrophobicContact CB-CB 4.28Å; L168-F400 HydrophobicContact CB-CD2 4.46Å; L168-F400 HydrophobicContact CD1-CB 3.96Å; L168-K404 HydrophobicContact CD2-CD 3.8Å
169	V	89.2	Confident	89.3	Confident	15 Å²	15	38.8 Å²	38.8	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-79.1	-41.5	175	171.6	0	0	0	0	111	C165 L166 E167 E171 Q172 H173 L335 V339 F400	C165-V169 WeakPolarHBondContact O-CG2 3.5Å; C165-V169 PolarHBondContact O-N 2.83Å; L166-V169 PolarHBondContact O-N 2.94Å; E167-V169 PolarHBondContact O-N 3.35Å; V169-E171 PolarHBondContact O-N 2.87Å; V169-Q172 PolarHBondContact O-N 3.23Å; V169-H173 PolarHBondContact O-N 3.37Å; V169-L335 HydrophobicContact CG2-CB 4.17Å; V169-V339 HydrophobicContact CG2-CG2 3.88Å; V169-F400 HydrophobicContact CG2-CD2 3.72Å; V169-F400 HydrophobicContact CG2-CE2 3.37Å; V169-F400 HydrophobicContact CG2-CZ 4.07Å
170	A	89.1	Confident	89.5	Confident	52 Å²	52	37.9 Å²	37.9	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-43.9	174.2	0	0	0	0	0	111.8	L166 E167 Q172 H173 N174	L166-A170 PolarHBondContact O-N 3.13Å; E167-A170 PolarHBondContact O-N 3.33Å; E167-A170 VanDerWaalsContact O-N 3.17Å; A170-Q172 VanDerWaalsContact C-N 3.33Å; A170-Q172 PolarHBondContact O-N 2.96Å; A170-H173 WeakPolarHBondContact O-CB 3.39Å; A170-H173 PolarHBondContact O-N 2.88Å; A170-H173 VanDerWaalsContact O-N 3.15Å; A170-N174 PolarHBondContact O-N 2.91Å
171	E	89.6	Confident	89.9	Confident	35 Å²	35	31 Å²	31	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-38.5	174.4	-71.1	-175.9	115.4	0	0	112.4	F5 E167 V169 H173 N174 I175 K404	F5-E171 HydrophobicContact CE2-CB 4.39Å; F5-E171 HydrophobicContact CE2-CG 4.34Å; F5-E171 HydrophobicContact CZ-CB 4.49Å; E167-E171 WeakPolarHBondContact O-CG 3.48Å; E167-E171 PolarHBondContact O-N 3.38Å; V169-E171 PolarHBondContact O-N 2.87Å; E171-H173 VanDerWaalsContact C-N 3.33Å; E171-N174 PolarHBondContact O-N 2.91Å; E171-I175 VanDerWaalsContact O-CG1 3.25Å; E171-I175 WeakPolarHBondContact O-CG1 3.19Å; E171-I175 PolarHBondContact O-N 3.1Å; E171-K404 IonicContact OE1-NZ 2.9Å; E171-K404 PolarHBondContact OE1-NZ 3.41Å; E171-K404 WeakPolarHBondContact OE2-CE 3.44Å; E171-K404 IonicContact OE2-NZ 2.66Å; E171-K404 PolarHBondContact OE2-NZ 2.88Å
172	Q	91.9	Very high	90.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-34.8	174.9	-76.3	171.6	83.9	0	0	112.3	L168 V169 A170 Y176 F332 K404 L407	L168-Q172 VanDerWaalsContact O-CG 3.27Å; L168-Q172 WeakPolarHBondContact O-CG 3.31Å; L168-Q172 PolarHBondContact O-N 3.44Å; L168-Q172 PolarHBondContact O-NE2 3.5Å; V169-Q172 PolarHBondContact O-N 3.23Å; A170-Q172 VanDerWaalsContact C-N 3.33Å; A170-Q172 PolarHBondContact O-N 2.96Å; Q172-Y176 PolarHBondContact O-N 3.15Å; Q172-F332 HydrophobicContact CB-CE1 4.1Å; Q172-K404 HydrophobicContact CG-CB 3.94Å; Q172-K404 HydrophobicContact CG-CG 4.08Å; Q172-L407 HydrophobicContact CB-CD2 4.19Å; Q172-L407 HydrophobicContact CG-CD2 4.33Å
173	H	92.9	Very high	90.6	Very high	55 Å²	55	31.7 Å²	31.7	26%	0.255	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-45.3	172.6	-164.1	72.1	0	0	0	111	V169 A170 E171 I175 Y176 Q177	V169-H173 PolarHBondContact O-N 3.37Å; A170-H173 WeakPolarHBondContact O-CB 3.39Å; A170-H173 PolarHBondContact O-N 2.88Å; A170-H173 VanDerWaalsContact O-N 3.15Å; E171-H173 VanDerWaalsContact C-N 3.33Å; H173-I175 PolarHBondContact O-N 3.32Å; H173-Y176 PolarHBondContact O-N 2.98Å; H173-Y176 VanDerWaalsContact O-N 3.09Å; H173-Q177 PolarHBondContact O-N 3.19Å
174	N	93.1	Very high	91	Very high	24 Å²	24	30 Å²	30	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-35.2	176	-70.5	-1.7	0	0	0	112.9	F5 F72 A170 E171 Y176 G178	F5-N174 HydrophobicContact CD1-CB 3.97Å; F5-N174 HydrophobicContact CD2-CB 3.69Å; F5-N174 HydrophobicContact CE1-CB 3.91Å; F5-N174 HydrophobicContact CE2-CB 3.64Å; F5-N174 HydrophobicContact CG-CB 3.86Å; F5-N174 HydrophobicContact CZ-CB 3.75Å; F72-N174 WeakPolarHBondContact CE1-O 3.3Å; A170-N174 PolarHBondContact O-N 2.91Å; E171-N174 PolarHBondContact O-N 2.91Å; N174-Y176 VanDerWaalsContact C-N 3.33Å; N174-Y176 PolarHBondContact O-N 3.4Å; N174-G178 PolarHBondContact O-N 2.91Å
175	I	93.1	Very high	91.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-44.3	171.4	-70.4	165	0	0	0	110.4	F5 L7 E171 H173 W179 K404 L407 L408 I411	F5-I175 HydrophobicContact CE1-CB 4.43Å; F5-I175 HydrophobicContact CE1-CG1 3.67Å; F5-I175 HydrophobicContact CZ-CG1 3.71Å; L7-I175 HydrophobicContact CD1-CG2 4.33Å; L7-I175 WeakPolarHBondContact CD1-O 3.26Å; E171-I175 VanDerWaalsContact O-CG1 3.25Å; E171-I175 WeakPolarHBondContact O-CG1 3.19Å; E171-I175 PolarHBondContact O-N 3.1Å; H173-I175 PolarHBondContact O-N 3.32Å; I175-W179 PolarHBondContact O-N 3.31Å; I175-K404 HydrophobicContact CD1-CG 4.09Å; I175-L407 HydrophobicContact CB-CD2 4.13Å; I175-L407 HydrophobicContact CG2-CD2 3.86Å; I175-L407 HydrophobicContact CG2-CG 3.8Å; I175-L408 HydrophobicContact CD1-CD1 4.43Å; I175-I411 HydrophobicContact CG2-CB 4.37Å; I175-I411 HydrophobicContact CG2-CG1 3.5Å
176	Y	94.5	Very high	91.9	Very high	41 Å²	41	28.5 Å²	28.5	16%	0.161	16%	0.158	C	C	.	.	H	α-helix	trans	-71	-44.4	179.4	-179.3	-114.6	0	0	0	112.6	Q172 H173 N174 G178 W179 C180 I325 I328 F332 L719	Q172-Y176 PolarHBondContact O-N 3.15Å; H173-Y176 PolarHBondContact O-N 2.98Å; H173-Y176 VanDerWaalsContact O-N 3.09Å; N174-Y176 VanDerWaalsContact C-N 3.33Å; N174-Y176 PolarHBondContact O-N 3.4Å; Y176-G178 VanDerWaalsContact C-N 3.31Å; Y176-G178 PolarHBondContact O-N 3.49Å; Y176-W179 WeakPolarHBondContact O-CB 3.44Å; Y176-W179 PolarHBondContact O-N 2.89Å; Y176-W179 VanDerWaalsContact O-N 3.16Å; Y176-C180 PolarHBondContact O-N 3.37Å; Y176-C180 PolarHBondContact O-SG 3.47Å; Y176-C180 VanDerWaalsContact O-SG 3.37Å; Y176-I325 HydrophobicContact CD2-CD1 4.32Å; Y176-I328 HydrophobicContact CD2-CG1 3.88Å; Y176-I328 HydrophobicContact CE2-CB 4.48Å; Y176-I328 HydrophobicContact CE2-CG1 4.05Å; Y176-I328 HydrophobicContact CE2-CG2 3.84Å; Y176-I328 HydrophobicContact CG-CG1 4.2Å; Y176-F332 AromaticContact CD1-CE2 3.84Å; Y176-F332 HydrophobicContact CD1-CE2 3.84Å; Y176-F332 HydrophobicContact CD1-CZ 4.46Å; Y176-F332 HydrophobicContact CG-CE2 4.01Å; Y176-F332 HydrophobicContact CG-CZ 4.35Å; Y176-L719 HydrophobicContact CE1-CD1 4.36Å; Y176-L719 HydrophobicContact CE1-CD2 4.4Å
177	Q	93.4	Very high	92.2	Very high	38 Å²	38	27.3 Å²	27.3	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-38.2	175.6	-171.3	-175	4.7	0	0	112	S47 S68 F72 H173 C180 S181	S47-Q177 PolarHBondContact OG-NE2 3.33Å; S68-Q177 PolarHBondContact O-NE2 2.96Å; F72-Q177 HydrophobicContact CE1-CB 4.47Å; F72-Q177 HydrophobicContact CE2-CG 4.18Å; F72-Q177 HydrophobicContact CZ-CB 3.91Å; F72-Q177 HydrophobicContact CZ-CG 3.66Å; H173-Q177 PolarHBondContact O-N 3.19Å; Q177-C180 PolarHBondContact O-N 3.43Å; Q177-S181 PolarHBondContact O-N 3.02Å; Q177-S181 PolarHBondContact O-OG 3.31Å
178	G	94.6	Very high	92.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-43.1	172.8	0	0	0	0	0	112.1	F72 N174 Y176 S181 V182	F72-G178 VanDerWaalsContact CE1-CA 3.44Å; N174-G178 PolarHBondContact O-N 2.91Å; Y176-G178 VanDerWaalsContact C-N 3.31Å; Y176-G178 PolarHBondContact O-N 3.49Å; G178-S181 WeakPolarHBondContact O-CB 3.24Å; G178-S181 PolarHBondContact O-N 3.32Å; G178-V182 WeakPolarHBondContact O-CG2 3.47Å; G178-V182 PolarHBondContact O-N 2.83Å
179	W	95.2	Very high	92.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-46.1	172.6	176.3	-110.8	0	0	0	112.6	I175 Y176 S181 V182 V183 M322 K323 I411 R414 L415 V418	I175-W179 PolarHBondContact O-N 3.31Å; Y176-W179 WeakPolarHBondContact O-CB 3.44Å; Y176-W179 PolarHBondContact O-N 2.89Å; Y176-W179 VanDerWaalsContact O-N 3.16Å; W179-S181 PolarHBondContact O-N 2.76Å; W179-V182 HydrophobicContact CE3-CB 4.26Å; W179-V182 HydrophobicContact CE3-CG1 4.3Å; W179-V182 HydrophobicContact CZ3-CB 4.38Å; W179-V182 HydrophobicContact CZ3-CG1 3.93Å; W179-V182 WeakPolarHBondContact O-CB 3.33Å; W179-V182 PolarHBondContact O-N 3.44Å; W179-V182 VanDerWaalsContact O-N 3.08Å; W179-V183 HydrophobicContact CD2-CG2 4.02Å; W179-V183 HydrophobicContact CH2-CG2 3.86Å; W179-V183 HydrophobicContact CZ2-CG2 3.26Å; W179-V183 HydrophobicContact CZ3-CG2 4.48Å; W179-V183 WeakPolarHBondContact O-CG2 3.43Å; W179-V183 PolarHBondContact O-N 3.39Å; W179-M322 VanDerWaalsContact CZ2-O 3.26Å; W179-M322 WeakPolarHBondContact CZ2-O 3.36Å; W179-K323 PolarHBondContact NE1-O 3.01Å; W179-I411 HydrophobicContact CB-CD1 3.59Å; W179-I411 HydrophobicContact CB-CG1 4.49Å; W179-I411 HydrophobicContact CD2-CD1 3.9Å; W179-I411 HydrophobicContact CE3-CD1 4.29Å; W179-I411 HydrophobicContact CG-CD1 3.55Å; W179-R414 HydrophobicContact CE3-CB 4.14Å; W179-R414 HydrophobicContact CH2-CB 3.56Å; W179-R414 HydrophobicContact CH2-CG 4.17Å; W179-R414 HydrophobicContact CZ2-CB 4Å; W179-R414 HydrophobicContact CZ2-CG 4.16Å; W179-R414 HydrophobicContact CZ3-CB 3.62Å; W179-L415 HydrophobicContact CE3-CD2 4.44Å; W179-L415 HydrophobicContact CZ3-CD2 4.33Å; W179-V418 HydrophobicContact CH2-CG2 3.56Å; W179-V418 HydrophobicContact CZ3-CG2 3.7Å
180	C	94.4	Very high	92.9	Very high	51 Å²	51	23 Å²	23	35%	0.345	13%	0.133	S	C	.	.	H	α-helix	trans	-57.6	-37.8	174.4	-68.1	0	0	0	0	112.2	Y176 Q177 V183 A184	Y176-C180 PolarHBondContact O-N 3.37Å; Y176-C180 PolarHBondContact O-SG 3.47Å; Y176-C180 VanDerWaalsContact O-SG 3.37Å; Q177-C180 PolarHBondContact O-N 3.43Å; C180-V183 PolarHBondContact O-N 2.88Å; C180-A184 WeakPolarHBondContact O-CB 3.31Å; C180-A184 PolarHBondContact O-N 2.66Å
181	S	93.5	Very high	93	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-67.2	-38	175.7	-55.5	0	0	0	0	112.2	G49 F72 Q177 G178 W179 N185	G49-S181 WeakPolarHBondContact CA-O 3.42Å; F72-S181 WeakPolarHBondContact CE2-OG 3.24Å; Q177-S181 PolarHBondContact O-N 3.02Å; Q177-S181 PolarHBondContact O-OG 3.31Å; G178-S181 WeakPolarHBondContact O-CB 3.24Å; G178-S181 PolarHBondContact O-N 3.32Å; W179-S181 PolarHBondContact O-N 2.76Å; S181-N185 WeakPolarHBondContact O-CB 3.45Å; S181-N185 PolarHBondContact O-N 2.87Å; S181-N185 VanDerWaalsContact O-N 3.08Å
182	V	94.4	Very high	93	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.036	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-42.4	173.2	173.5	0	0	0	0	111.6	L7 L45 V74 G178 W179 N185 L186 L415 V418	L7-V182 HydrophobicContact CD2-CG2 3.92Å; L45-V182 HydrophobicContact CD1-CB 4.39Å; L45-V182 HydrophobicContact CD1-CG2 3.64Å; V74-V182 HydrophobicContact CG2-CG2 3.99Å; G178-V182 WeakPolarHBondContact O-CG2 3.47Å; G178-V182 PolarHBondContact O-N 2.83Å; W179-V182 HydrophobicContact CE3-CB 4.26Å; W179-V182 HydrophobicContact CE3-CG1 4.3Å; W179-V182 HydrophobicContact CZ3-CB 4.38Å; W179-V182 HydrophobicContact CZ3-CG1 3.93Å; W179-V182 WeakPolarHBondContact O-CB 3.33Å; W179-V182 PolarHBondContact O-N 3.44Å; W179-V182 VanDerWaalsContact O-N 3.08Å; V182-N185 WeakPolarHBondContact O-CB 3.44Å; V182-N185 PolarHBondContact O-N 3.17Å; V182-L186 PolarHBondContact O-N 3.41Å; V182-L415 HydrophobicContact CG1-CD2 4.16Å; V182-L415 HydrophobicContact CG2-CD2 4.12Å; V182-V418 HydrophobicContact CG1-CB 4.21Å; V182-V418 HydrophobicContact CG1-CG1 3.82Å; V182-V418 HydrophobicContact CG1-CG2 3.86Å
183	V	93.7	Very high	93	Very high	17 Å²	17	20.5 Å²	20.5	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-42.3	177.9	176.1	0	0	0	0	111.6	W179 C180 N185 L186 D187 K323	W179-V183 HydrophobicContact CD2-CG2 4.02Å; W179-V183 HydrophobicContact CH2-CG2 3.86Å; W179-V183 HydrophobicContact CZ2-CG2 3.26Å; W179-V183 HydrophobicContact CZ3-CG2 4.48Å; W179-V183 WeakPolarHBondContact O-CG2 3.43Å; W179-V183 PolarHBondContact O-N 3.39Å; C180-V183 PolarHBondContact O-N 2.88Å; V183-N185 VanDerWaalsContact C-N 3.31Å; V183-N185 PolarHBondContact O-N 2.97Å; V183-L186 PolarHBondContact O-N 3.2Å; V183-D187 PolarHBondContact O-N 3.35Å; V183-K323 HydrophobicContact CG1-CB 4.2Å; V183-K323 HydrophobicContact CG1-CG 4.2Å
184	A	92.5	Very high	93.1	Very high	33 Å²	33	19.3 Å²	19.3	27%	0.273	11%	0.114	S	C	.	.	H	α-helix	trans	-59.6	-42	174.2	0	0	0	0	0	111.7	C180 D187 D188	C180-A184 WeakPolarHBondContact O-CB 3.31Å; C180-A184 PolarHBondContact O-N 2.66Å; A184-D187 PolarHBondContact O-N 2.79Å; A184-D188 WeakPolarHBondContact O-CB 3.45Å; A184-D188 PolarHBondContact O-N 2.9Å; A184-D188 VanDerWaalsContact O-N 3.08Å
185	N	93.6	Very high	93	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-40	175.7	-176.6	-107.6	0	0	0	113	L45 G49 V51 S181 V182 V183 T189 H422	L45-N185 HydrophobicContact CD1-CB 4.47Å; L45-N185 HydrophobicContact CD2-CB 4.2Å; G49-N185 WeakPolarHBondContact O-CB 3.47Å; G49-N185 PolarHBondContact O-ND2 3.23Å; V51-N185 VanDerWaalsContact CG2-ND2 3.32Å; V51-N185 WeakPolarHBondContact CG2-ND2 3.16Å; S181-N185 WeakPolarHBondContact O-CB 3.45Å; S181-N185 PolarHBondContact O-N 2.87Å; S181-N185 VanDerWaalsContact O-N 3.08Å; V182-N185 WeakPolarHBondContact O-CB 3.44Å; V182-N185 PolarHBondContact O-N 3.17Å; V183-N185 VanDerWaalsContact C-N 3.31Å; V183-N185 PolarHBondContact O-N 2.97Å; N185-T189 VanDerWaalsContact O-CB 3.28Å; N185-T189 WeakPolarHBondContact O-CB 3.31Å; N185-T189 PolarHBondContact O-N 3.11Å; N185-T189 PolarHBondContact O-OG1 3.04Å; N185-H422 PolarHBondContact OD1-CE1 3.16Å
186	L	93.1	Very high	92.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-47.1	177.1	176.3	64.7	0	0	0	111.7	V182 V183 D188 T189 I190 W417 V418 T421 H422	V182-L186 PolarHBondContact O-N 3.41Å; V183-L186 PolarHBondContact O-N 3.2Å; L186-D188 PolarHBondContact O-N 3.44Å; L186-T189 PolarHBondContact O-N 2.76Å; L186-I190 HydrophobicContact CD1-CD1 3.84Å; L186-I190 HydrophobicContact CD1-CG1 4.17Å; L186-I190 HydrophobicContact CG-CD1 3.94Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 2.92Å; L186-W417 HydrophobicContact CD2-CE3 4.42Å; L186-W417 HydrophobicContact CD2-CH2 3.74Å; L186-W417 HydrophobicContact CD2-CZ3 3.39Å; L186-V418 HydrophobicContact CD1-CG1 4.5Å; L186-V418 HydrophobicContact CD2-CG2 4.32Å; L186-T421 HydrophobicContact CD1-CG2 3.78Å; L186-H422 WeakPolarHBondContact CD1-NE2 3.48Å
187	D	93	Very high	92.8	Very high	57 Å²	57	24.7 Å²	24.7	31%	0.305	13%	0.134	S	C	.	.	H	α-helix	trans	-63.3	-42.1	179.6	-76.2	-10.6	0	0	0	111.6	V183 A184 G191 L317 K323	V183-D187 PolarHBondContact O-N 3.35Å; A184-D187 PolarHBondContact O-N 2.79Å; D187-G191 PolarHBondContact O-N 3.09Å; D187-L317 VanDerWaalsContact OD1-CD2 3.23Å; D187-L317 WeakPolarHBondContact OD1-CD2 3.42Å; D187-K323 IonicContact OD1-NZ 2.72Å; D187-K323 PolarHBondContact OD1-NZ 3.23Å; D187-K323 IonicContact OD2-NZ 3.66Å; D187-K323 PolarHBondContact OD2-NZ 3.41Å
188	D	91.2	Very high	92.8	Very high	57 Å²	57	28.9 Å²	28.9	31%	0.305	15%	0.148	S	C	.	.	H	α-helix	trans	-61.8	-41.4	173.3	-106.4	8.6	0	0	0	112.2	A184 L186 G191 A192 S657	A184-D188 WeakPolarHBondContact O-CB 3.45Å; A184-D188 PolarHBondContact O-N 2.9Å; A184-D188 VanDerWaalsContact O-N 3.08Å; L186-D188 PolarHBondContact O-N 3.44Å; D188-G191 PolarHBondContact O-N 2.74Å; D188-A192 WeakPolarHBondContact O-CB 3.43Å; D188-A192 PolarHBondContact O-N 2.77Å; D188-S657 VanDerWaalsContact OD2-CB 3.3Å; D188-S657 WeakPolarHBondContact OD2-CB 3.4Å; D188-S657 PolarHBondContact OD2-OG 3.17Å
189	T	90.7	Very high	92.6	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-46.4	-179	-62.9	0	0	0	0	111.5	N185 L186 G191 A192 F193 I425 P659	N185-T189 VanDerWaalsContact O-CB 3.28Å; N185-T189 WeakPolarHBondContact O-CB 3.31Å; N185-T189 PolarHBondContact O-N 3.11Å; N185-T189 PolarHBondContact O-OG1 3.04Å; L186-T189 PolarHBondContact O-N 2.76Å; T189-G191 VanDerWaalsContact C-N 3.33Å; T189-G191 PolarHBondContact O-N 2.9Å; T189-A192 PolarHBondContact O-N 2.8Å; T189-F193 PolarHBondContact O-N 3.43Å; T189-I425 HydrophobicContact CG2-CG2 4.28Å; T189-P659 HydrophobicContact CG2-CB 4.36Å
190	I	93	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-44.7	173.1	-67	169	0	0	0	110.1	L186 A192 F193 H194 T313 R316 L317 I425	L186-I190 HydrophobicContact CD1-CD1 3.84Å; L186-I190 HydrophobicContact CD1-CG1 4.17Å; L186-I190 HydrophobicContact CG-CD1 3.94Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 2.92Å; I190-A192 VanDerWaalsContact C-N 3.25Å; I190-A192 PolarHBondContact O-N 3.25Å; I190-F193 PolarHBondContact O-N 2.93Å; I190-H194 VanDerWaalsContact CG2-CE1 3.46Å; I190-H194 WeakPolarHBondContact CG2-CE1 3.37Å; I190-H194 PolarHBondContact O-N 3.26Å; I190-T313 HydrophobicContact CG1-CG2 4.46Å; I190-R316 HydrophobicContact CD1-CB 4.42Å; I190-L317 HydrophobicContact CB-CD2 4.34Å; I190-L317 HydrophobicContact CD1-CD2 3.82Å; I190-L317 HydrophobicContact CD1-CG 3.96Å; I190-L317 HydrophobicContact CG2-CD1 3.71Å; I190-L317 HydrophobicContact CG2-CD2 4.22Å; I190-L317 HydrophobicContact CG2-CG 3.97Å; I190-I425 HydrophobicContact CD1-CD1 4.46Å; I190-I425 HydrophobicContact CG1-CD1 3.57Å
191	G	91.5	Very high	92.4	Very high	22 Å²	22	34 Å²	34	23%	0.227	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-31.7	177	0	0	0	0	0	113.6	D187 D188 T189 R195	D187-G191 PolarHBondContact O-N 3.09Å; D188-G191 PolarHBondContact O-N 2.74Å; T189-G191 VanDerWaalsContact C-N 3.33Å; T189-G191 PolarHBondContact O-N 2.9Å; G191-R195 VanDerWaalsContact C-NH1 3.26Å; G191-R195 WeakPolarHBondContact O-CG 3.37Å; G191-R195 PolarHBondContact O-N 2.84Å; G191-R195 PolarHBondContact O-NH1 2.78Å
192	A	90	Very high	92.4	Very high	7 Å²	7	42.7 Å²	42.7	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-72.3	-47.4	173.1	0	0	0	0	0	112.2	D188 T189 I190 H194 R195 H196	D188-A192 WeakPolarHBondContact O-CB 3.43Å; D188-A192 PolarHBondContact O-N 2.77Å; T189-A192 PolarHBondContact O-N 2.8Å; I190-A192 VanDerWaalsContact C-N 3.25Å; I190-A192 PolarHBondContact O-N 3.25Å; A192-H194 PolarHBondContact O-N 3.47Å; A192-R195 WeakPolarHBondContact O-CA 3.28Å; A192-R195 WeakPolarHBondContact O-CB 3.49Å; A192-R195 PolarHBondContact O-N 2.6Å; A192-H196 PolarHBondContact O-N 2.94Å; A192-H196 VanDerWaalsContact O-N 3.14Å
193	F	92.8	Very high	92.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-47.1	176.6	176	-118	0	0	0	112.2	T189 I190 R195 H196 I197 C309 T313 I425 A428 D429 V432	T189-F193 PolarHBondContact O-N 3.43Å; I190-F193 PolarHBondContact O-N 2.93Å; F193-R195 PolarHBondContact O-N 3.18Å; F193-H196 WeakPolarHBondContact O-CA 3.25Å; F193-H196 WeakPolarHBondContact O-CB 3.25Å; F193-H196 PolarHBondContact O-N 2.7Å; F193-I197 HydrophobicContact CD1-CD1 4.2Å; F193-I197 HydrophobicContact CE1-CD1 3.62Å; F193-I197 HydrophobicContact CE2-CD1 4.07Å; F193-I197 HydrophobicContact CE2-CG1 4.35Å; F193-I197 HydrophobicContact CZ-CD1 3.55Å; F193-I197 HydrophobicContact CZ-CG1 4.31Å; F193-I197 PolarHBondContact O-N 3.14Å; F193-C309 HydrophobicContact CE1-CB 3.98Å; F193-C309 HydrophobicContact CZ-CB 3.86Å; F193-T313 HydrophobicContact CD1-CG2 4.05Å; F193-T313 HydrophobicContact CE1-CG2 4.02Å; F193-I425 HydrophobicContact CB-CG2 3.97Å; F193-I425 HydrophobicContact CD1-CG2 4.37Å; F193-I425 HydrophobicContact CD2-CG2 4.13Å; F193-I425 HydrophobicContact CG-CG2 3.91Å; F193-A428 HydrophobicContact CE2-CB 3.83Å; F193-A428 HydrophobicContact CZ-CB 3.51Å; F193-D429 HydrophobicContact CD2-CB 3.84Å; F193-D429 HydrophobicContact CE2-CB 4.01Å; F193-V432 HydrophobicContact CE2-CG2 4Å
194	H	93.7	Very high	92.3	Very high	31 Å²	31	47.1 Å²	47.1	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-24.5	172.9	-67.8	165.3	0	0	0	113.7	I190 A192 R198 T313	I190-H194 VanDerWaalsContact CG2-CE1 3.46Å; I190-H194 WeakPolarHBondContact CG2-CE1 3.37Å; I190-H194 PolarHBondContact O-N 3.26Å; A192-H194 PolarHBondContact O-N 3.47Å; H194-R198 WeakPolarHBondContact O-CB 3.04Å; H194-R198 WeakPolarHBondContact O-CG 3.45Å; H194-R198 PolarHBondContact O-N 3.48Å; H194-R198 PolarHBondContact O-NE 3.15Å; H194-T313 PolarHBondContact NE2-OG1 2.83Å
195	R	92.1	Very high	92.4	Very high	123 Å²	123	48.3 Å²	48.3	46%	0.464	22%	0.218	S	C	.	.	H	α-helix	trans	-74.1	-31.5	171.4	-72.4	-178.3	-58.2	-97.6	13.6	111.5	G191 A192 F193 K199	G191-R195 VanDerWaalsContact C-NH1 3.26Å; G191-R195 WeakPolarHBondContact O-CG 3.37Å; G191-R195 PolarHBondContact O-N 2.84Å; G191-R195 PolarHBondContact O-NH1 2.78Å; A192-R195 WeakPolarHBondContact O-CA 3.28Å; A192-R195 WeakPolarHBondContact O-CB 3.49Å; A192-R195 PolarHBondContact O-N 2.6Å; F193-R195 PolarHBondContact O-N 3.18Å; R195-K199 WeakPolarHBondContact O-CB 3.46Å; R195-K199 VanDerWaalsContact O-CG 3.31Å; R195-K199 WeakPolarHBondContact O-CG 3.33Å; R195-K199 PolarHBondContact O-N 3.32Å; R195-K199 VanDerWaalsContact O-N 3.15Å
196	H	90.3	Very high	92.4	Very high	51 Å²	51	52.3 Å²	52.3	24%	0.236	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-49.1	175.3	-64.2	174.2	0	0	0	111.4	A192 F193 K199 F200 D429 V432	A192-H196 PolarHBondContact O-N 2.94Å; A192-H196 VanDerWaalsContact O-N 3.14Å; F193-H196 WeakPolarHBondContact O-CA 3.25Å; F193-H196 WeakPolarHBondContact O-CB 3.25Å; F193-H196 PolarHBondContact O-N 2.7Å; H196-K199 PolarHBondContact O-N 3.32Å; H196-F200 PolarHBondContact O-N 2.94Å; H196-D429 IonicContact CE1-OD1 3.18Å; H196-D429 IonicContact CE1-OD2 2.66Å; H196-D429 IonicContact CG-OD1 2.65Å; H196-D429 IonicContact ND1-OD1 2.73Å; H196-D429 PolarHBondContact ND1-OD1 3.13Å; H196-D429 IonicContact ND1-OD2 2.75Å; H196-D429 PolarHBondContact ND1-OD2 3.3Å; H196-V432 HydrophobicContact CB-CG1 3.99Å
197	I	92.7	Very high	92.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-54.5	175.5	-66.4	175.4	0	0	0	110.4	F193 K199 F200 C201 F306 C309 E310 V432	F193-I197 HydrophobicContact CD1-CD1 4.2Å; F193-I197 HydrophobicContact CE1-CD1 3.62Å; F193-I197 HydrophobicContact CE2-CD1 4.07Å; F193-I197 HydrophobicContact CE2-CG1 4.35Å; F193-I197 HydrophobicContact CZ-CD1 3.55Å; F193-I197 HydrophobicContact CZ-CG1 4.31Å; F193-I197 PolarHBondContact O-N 3.14Å; I197-K199 VanDerWaalsContact C-N 3.27Å; I197-K199 PolarHBondContact O-N 3.3Å; I197-F200 CarbonylContact O-C 3.53Å; I197-F200 WeakPolarHBondContact O-CA 3.41Å; I197-F200 WeakPolarHBondContact O-CB 3.32Å; I197-F200 PolarHBondContact O-N 3.31Å; I197-C201 PolarHBondContact O-N 3.31Å; I197-C201 PolarHBondContact O-SG 2.68Å; I197-C201 VanDerWaalsContact O-SG 3.36Å; I197-F306 HydrophobicContact CD1-CB 4.48Å; I197-F306 HydrophobicContact CG2-CB 4.14Å; I197-C309 HydrophobicContact CD1-CB 4.32Å; I197-E310 HydrophobicContact CD1-CG 3.86Å; I197-E310 HydrophobicContact CG2-CG 4.39Å; I197-E310 WeakPolarHBondContact CG2-OE1 3.36Å; I197-V432 HydrophobicContact CG1-CG2 3.81Å
198	R	92.9	Very high	92.4	Very high	127 Å²	127	51.7 Å²	51.7	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-32.2	179.6	-73.1	178.4	-69.1	162.3	-9.2	114.1	H194 R202	H194-R198 WeakPolarHBondContact O-CB 3.04Å; H194-R198 WeakPolarHBondContact O-CG 3.45Å; H194-R198 PolarHBondContact O-N 3.48Å; H194-R198 PolarHBondContact O-NE 3.15Å; R198-R202 VanDerWaalsContact O-CG 3.25Å; R198-R202 WeakPolarHBondContact O-CG 3.42Å; R198-R202 PolarHBondContact O-N 2.96Å
199	K	90.9	Very high	92.6	Very high	134 Å²	134	56.6 Å²	56.6	58%	0.583	26%	0.258	S	S	*	.	H	α-helix	trans	-68.6	-37.3	172.9	-83.1	-176.4	176	-168	0	112	R195 H196 I197	R195-K199 WeakPolarHBondContact O-CB 3.46Å; R195-K199 VanDerWaalsContact O-CG 3.31Å; R195-K199 WeakPolarHBondContact O-CG 3.33Å; R195-K199 PolarHBondContact O-N 3.32Å; R195-K199 VanDerWaalsContact O-N 3.15Å; H196-K199 PolarHBondContact O-N 3.32Å; I197-K199 VanDerWaalsContact C-N 3.27Å; I197-K199 PolarHBondContact O-N 3.3Å
200	F	92.4	Very high	92.7	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-54.5	173.3	168.9	-97.4	0	0	0	111.2	H196 I197 R202 K203 R204 V302 F306 Q435 R436 V439	H196-F200 PolarHBondContact O-N 2.94Å; I197-F200 CarbonylContact O-C 3.53Å; I197-F200 WeakPolarHBondContact O-CA 3.41Å; I197-F200 WeakPolarHBondContact O-CB 3.32Å; I197-F200 PolarHBondContact O-N 3.31Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 2.84Å; F200-K203 PolarHBondContact O-N 3.18Å; F200-R204 HydrophobicContact CE1-CB 4.2Å; F200-R204 HydrophobicContact CE1-CG 4.26Å; F200-R204 HydrophobicContact CZ-CB 4.18Å; F200-R204 HydrophobicContact CZ-CG 4.08Å; F200-R204 PolarHBondContact O-N 3.5Å; F200-V302 HydrophobicContact CE1-CG1 3.97Å; F200-V302 HydrophobicContact CZ-CG1 3.8Å; F200-F306 AromaticContact CD1-CD2 3.87Å; F200-F306 HydrophobicContact CD1-CD2 3.87Å; F200-F306 AromaticContact CD1-CE2 3.63Å; F200-F306 HydrophobicContact CD1-CE2 3.63Å; F200-F306 AromaticContact CE1-CD2 3.78Å; F200-F306 HydrophobicContact CE1-CD2 3.78Å; F200-F306 AromaticContact CE1-CE2 3.42Å; F200-F306 HydrophobicContact CE1-CE2 3.42Å; F200-F306 VanDerWaalsContact CE1-CE2 3.42Å; F200-F306 HydrophobicContact CG-CE2 4.42Å; F200-F306 HydrophobicContact CZ-CE2 4.06Å; F200-Q435 HydrophobicContact CD2-CB 4.14Å; F200-Q435 HydrophobicContact CE2-CB 3.6Å; F200-Q435 HydrophobicContact CZ-CB 3.97Å; F200-R436 HydrophobicContact CB-CG 3.92Å; F200-R436 HydrophobicContact CD2-CG 4.04Å; F200-R436 HydrophobicContact CG-CG 4.41Å; F200-V439 HydrophobicContact CD2-CG2 4.1Å; F200-V439 HydrophobicContact CE2-CG2 3.61Å
201	C	92.5	Very high	92.8	Very high	24 Å²	24	60.1 Å²	60.1	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-55.1	-45.6	-177	-60.3	0	0	0	0	111.6	I197 K203 R204 D205	I197-C201 PolarHBondContact O-N 3.31Å; I197-C201 PolarHBondContact O-SG 2.68Å; I197-C201 VanDerWaalsContact O-SG 3.36Å; C201-K203 VanDerWaalsContact C-N 3.3Å; C201-K203 PolarHBondContact O-N 2.69Å; C201-R204 CarbonylContact O-C 3.6Å; C201-R204 WeakPolarHBondContact O-CB 3.4Å; C201-R204 PolarHBondContact O-N 3.38Å; C201-D205 WeakPolarHBondContact O-CB 3.39Å; C201-D205 PolarHBondContact O-N 2.98Å; C201-D205 VanDerWaalsContact O-OD2 3.14Å
202	R	93.3	Very high	92.8	Very high	185 Å²	185	64.9 Å²	64.9	70%	0.698	29%	0.287	S	S	*	.	H	α-helix	trans	-53.5	-40.2	174.8	-74.7	172.3	-179.1	-169.4	-0.9	114.4	R198 F200 W206	R198-R202 VanDerWaalsContact O-CG 3.25Å; R198-R202 WeakPolarHBondContact O-CG 3.42Å; R198-R202 PolarHBondContact O-N 2.96Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 2.84Å; R202-W206 WeakPolarHBondContact O-CB 3.36Å; R202-W206 PolarHBondContact O-N 3.09Å
203	K	92.6	Very high	92.9	Very high	95 Å²	95	65.9 Å²	65.9	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-74.9	-38.6	177.5	-68.8	-171.8	178.5	-171.7	0	111.6	F200 C201 W206 L207 V439 I443	F200-K203 PolarHBondContact O-N 3.18Å; C201-K203 VanDerWaalsContact C-N 3.3Å; C201-K203 PolarHBondContact O-N 2.69Å; K203-W206 PolarHBondContact O-N 2.88Å; K203-L207 WeakPolarHBondContact O-CG 3.36Å; K203-L207 PolarHBondContact O-N 3.06Å; K203-V439 HydrophobicContact CB-CG1 3.84Å; K203-V439 HydrophobicContact CD-CG1 3.94Å; K203-I443 HydrophobicContact CD-CD1 4.21Å
204	R	94	Very high	93	Very high	21 Å²	21	65.8 Å²	65.8	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-42.4	177	-166.6	-154.4	71.5	103.8	11.7	111.9	F200 C201 L207 A208 V297 L298 L303	F200-R204 HydrophobicContact CE1-CB 4.2Å; F200-R204 HydrophobicContact CE1-CG 4.26Å; F200-R204 HydrophobicContact CZ-CB 4.18Å; F200-R204 HydrophobicContact CZ-CG 4.08Å; F200-R204 PolarHBondContact O-N 3.5Å; C201-R204 CarbonylContact O-C 3.6Å; C201-R204 WeakPolarHBondContact O-CB 3.4Å; C201-R204 PolarHBondContact O-N 3.38Å; R204-L207 WeakPolarHBondContact O-CB 3.33Å; R204-L207 PolarHBondContact O-N 3.35Å; R204-A208 PolarHBondContact O-N 3.33Å; R204-V297 HydrophobicContact CG-CG1 4.02Å; R204-V297 WeakPolarHBondContact CG-O 3.26Å; R204-L298 HydrophobicContact CG-CD2 4.05Å; R204-L298 WeakPolarHBondContact O-CD2 3.35Å; R204-L303 VanDerWaalsContact CZ-CG 3.48Å
205	D	93.3	Very high	92.9	Very high	59 Å²	59	67.5 Å²	67.5	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-36.3	177.8	-57.8	-23.2	0	0	0	111	C201 A208 Q209	C201-D205 WeakPolarHBondContact O-CB 3.39Å; C201-D205 PolarHBondContact O-N 2.98Å; C201-D205 VanDerWaalsContact O-OD2 3.14Å; D205-A208 PolarHBondContact O-N 3.1Å; D205-Q209 WeakPolarHBondContact O-CB 3.35Å; D205-Q209 VanDerWaalsContact O-CG 3.25Å; D205-Q209 WeakPolarHBondContact O-CG 3.41Å; D205-Q209 PolarHBondContact O-N 3.42Å
206	W	93.6	Very high	92.9	Very high	85 Å²	85	64.8 Å²	64.8	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-42.1	169.3	175.2	85	0	0	0	112.2	R202 K203 A208 Q209 S210 F605	R202-W206 WeakPolarHBondContact O-CB 3.36Å; R202-W206 PolarHBondContact O-N 3.09Å; K203-W206 PolarHBondContact O-N 2.88Å; W206-A208 VanDerWaalsContact C-N 3.34Å; W206-Q209 PolarHBondContact O-N 3.35Å; W206-S210 WeakPolarHBondContact O-CB 3.28Å; W206-S210 PolarHBondContact O-N 3.16Å; W206-S210 PolarHBondContact O-OG 3.05Å; W206-F605 AromaticContact CE2-CE2 3.93Å; W206-F605 HydrophobicContact CH2-CE2 4.48Å; W206-F605 HydrophobicContact CH2-CZ 4.02Å; W206-F605 AromaticContact CZ2-CE2 3.55Å; W206-F605 HydrophobicContact CZ2-CE2 3.55Å; W206-F605 AromaticContact CZ2-CZ 3.49Å; W206-F605 HydrophobicContact CZ2-CZ 3.49Å; W206-F605 VanDerWaalsContact CZ2-CZ 3.49Å; W206-F605 AromaticContact NE1-CE2 3.94Å
207	L	94.6	Very high	92.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-40.1	173.3	-75.2	167.6	0	0	0	111.7	K203 R204 S210 R211 I214 L294 V297 L298 V439 L442 L446	K203-L207 WeakPolarHBondContact O-CG 3.36Å; K203-L207 PolarHBondContact O-N 3.06Å; R204-L207 WeakPolarHBondContact O-CB 3.33Å; R204-L207 PolarHBondContact O-N 3.35Å; L207-S210 CarbonylContact O-C 3.6Å; L207-S210 PolarHBondContact O-N 3.45Å; L207-R211 PolarHBondContact O-N 2.9Å; L207-I214 HydrophobicContact CD2-CD1 4.05Å; L207-L294 HydrophobicContact CB-CD1 4.18Å; L207-L294 HydrophobicContact CD2-CD1 4.21Å; L207-V297 HydrophobicContact CD1-CG1 3.78Å; L207-L298 HydrophobicContact CB-CD2 4.15Å; L207-V439 HydrophobicContact CD1-CG1 4.35Å; L207-V439 HydrophobicContact CD1-CG2 4.27Å; L207-L442 HydrophobicContact CD1-CD2 3.78Å; L207-L442 HydrophobicContact CD2-CD2 4.06Å; L207-L442 HydrophobicContact CD2-CG 4.41Å; L207-L446 HydrophobicContact CD2-CD1 3.73Å
208	A	93.5	Very high	92.9	Very high	45 Å²	45	64.8 Å²	64.8	37%	0.372	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-47.2	177.1	0	0	0	0	0	111.8	R204 D205 W206 S210 R211 L298	R204-A208 PolarHBondContact O-N 3.33Å; D205-A208 PolarHBondContact O-N 3.1Å; W206-A208 VanDerWaalsContact C-N 3.34Å; A208-S210 VanDerWaalsContact C-N 3.29Å; A208-S210 PolarHBondContact O-N 2.92Å; A208-R211 VanDerWaalsContact O-CB 3.25Å; A208-R211 WeakPolarHBondContact O-CB 3.43Å; A208-R211 PolarHBondContact O-N 2.95Å; A208-L298 HydrophobicContact CB-CD1 4.49Å; A208-L298 HydrophobicContact CB-CD2 3.83Å
209	Q	94.6	Very high	92.9	Very high	161 Å²	161	66.1 Å²	66.1	75%	0.752	31%	0.31	S	S	*	.	H	α-helix	trans	-64.2	-34.3	175.7	-70.1	167.9	19	0	0	112.2	D205 W206 R211	D205-Q209 WeakPolarHBondContact O-CB 3.35Å; D205-Q209 VanDerWaalsContact O-CG 3.25Å; D205-Q209 WeakPolarHBondContact O-CG 3.41Å; D205-Q209 PolarHBondContact O-N 3.42Å; W206-Q209 PolarHBondContact O-N 3.35Å; Q209-R211 VanDerWaalsContact C-N 3.32Å
210	S	93.3	Very high	93	Very high	7 Å²	7	64.7 Å²	64.7	5%	0.049	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.6	179.7	-51.7	0	0	0	0	113.5	W206 L207 A208 Q212 A213 I214 F605	W206-S210 WeakPolarHBondContact O-CB 3.28Å; W206-S210 PolarHBondContact O-N 3.16Å; W206-S210 PolarHBondContact O-OG 3.05Å; L207-S210 CarbonylContact O-C 3.6Å; L207-S210 PolarHBondContact O-N 3.45Å; A208-S210 VanDerWaalsContact C-N 3.29Å; A208-S210 PolarHBondContact O-N 2.92Å; S210-Q212 PolarHBondContact O-N 3.11Å; S210-A213 PolarHBondContact O-N 3.45Å; S210-A213 VanDerWaalsContact O-N 3.09Å; S210-I214 WeakPolarHBondContact O-CG1 3.43Å; S210-I214 PolarHBondContact O-N 3.38Å; S210-F605 WeakPolarHBondContact OG-CE2 3.38Å
211	R	93.9	Very high	92.9	Very high	76 Å²	76	64.9 Å²	64.9	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-53.8	-50.7	-170.7	-179.8	172.9	-178.1	116	18.1	112.6	L207 A208 Q209 A213 I214 E215 L294 N295	L207-R211 PolarHBondContact O-N 2.9Å; A208-R211 VanDerWaalsContact O-CB 3.25Å; A208-R211 WeakPolarHBondContact O-CB 3.43Å; A208-R211 PolarHBondContact O-N 2.95Å; Q209-R211 VanDerWaalsContact C-N 3.32Å; R211-A213 PolarHBondContact O-N 2.78Å; R211-I214 WeakPolarHBondContact O-CB 3.45Å; R211-I214 PolarHBondContact O-N 3.41Å; R211-I214 VanDerWaalsContact O-N 3.1Å; R211-E215 HydrophobicContact CG-CG 4.43Å; R211-E215 IonicContact CZ-OE1 2.67Å; R211-E215 IonicContact NE-OE1 3.5Å; R211-E215 PolarHBondContact NE-OE1 3.48Å; R211-E215 IonicContact NE-OE2 2.62Å; R211-E215 IonicContact NH2-OE1 3.59Å; R211-E215 PolarHBondContact NH2-OE1 2.88Å; R211-E215 WeakPolarHBondContact O-CG 3.16Å; R211-E215 PolarHBondContact O-N 3Å; R211-L294 HydrophobicContact CG-CD2 4.4Å; R211-N295 PolarHBondContact NH1-OD1 3.06Å; R211-N295 PolarHBondContact NH2-OD1 3.32Å
212	Q	92.4	Very high	92.9	Very high	122 Å²	122	67.9 Å²	67.9	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-58.5	-46.4	178.5	-172.8	65	57.9	0	0	111.5	S210 I214 E215 D216	S210-Q212 PolarHBondContact O-N 3.11Å; Q212-I214 PolarHBondContact O-N 3.16Å; Q212-E215 PolarHBondContact O-N 3.24Å; Q212-E215 VanDerWaalsContact O-N 3.17Å; Q212-D216 PolarHBondContact NE2-OD1 3.3Å; Q212-D216 WeakPolarHBondContact O-CB 3.45Å; Q212-D216 PolarHBondContact O-N 2.84Å
213	A	92.5	Very high	92.7	Very high	29 Å²	29	64.3 Å²	64.3	24%	0.24	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-28.6	178.8	0	0	0	0	0	112.8	S210 R211 M217 F605	S210-A213 PolarHBondContact O-N 3.45Å; S210-A213 VanDerWaalsContact O-N 3.09Å; R211-A213 PolarHBondContact O-N 2.78Å; A213-M217 WeakPolarHBondContact O-CE 3.44Å; A213-M217 VanDerWaalsContact O-CG 3.29Å; A213-M217 WeakPolarHBondContact O-CG 3.39Å; A213-M217 PolarHBondContact O-N 2.75Å; A213-F605 HydrophobicContact CB-CD1 3.85Å; A213-F605 HydrophobicContact CB-CE1 4.22Å; A213-F605 HydrophobicContact CB-CG 4.29Å
214	I	93.1	Very high	92.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-72.5	-45.3	172.9	-66.2	164.7	0	0	0	110.4	L207 S210 R211 Q212 M217 L218 I290 L294 L446	L207-I214 HydrophobicContact CD2-CD1 4.05Å; S210-I214 WeakPolarHBondContact O-CG1 3.43Å; S210-I214 PolarHBondContact O-N 3.38Å; R211-I214 WeakPolarHBondContact O-CB 3.45Å; R211-I214 PolarHBondContact O-N 3.41Å; R211-I214 VanDerWaalsContact O-N 3.1Å; Q212-I214 PolarHBondContact O-N 3.16Å; I214-M217 HydrophobicContact CG1-CE 4.31Å; I214-M217 PolarHBondContact O-N 2.91Å; I214-L218 HydrophobicContact CG2-CD1 3.82Å; I214-L218 HydrophobicContact CG2-CG 4.4Å; I214-L218 VanDerWaalsContact O-CG 3.29Å; I214-L218 WeakPolarHBondContact O-CG 3.42Å; I214-L218 PolarHBondContact O-N 3.33Å; I214-I290 HydrophobicContact CG2-CG2 4.13Å; I214-L294 HydrophobicContact CD1-CD1 4.32Å; I214-L294 HydrophobicContact CG2-CD2 3.98Å; I214-L446 HydrophobicContact CB-CD2 4.45Å; I214-L446 HydrophobicContact CD1-CD1 3.85Å; I214-L446 HydrophobicContact CD1-CD2 4.22Å; I214-L446 HydrophobicContact CG1-CD1 4.38Å; I214-L446 HydrophobicContact CG1-CD2 4Å; I214-L446 HydrophobicContact CG2-CD2 3.66Å
215	E	92.6	Very high	92.5	Very high	68 Å²	68	61.6 Å²	61.6	32%	0.318	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-43.6	177	-71.1	171.1	162.3	0	0	111.3	R211 Q212 M217 L218 E219	R211-E215 HydrophobicContact CG-CG 4.43Å; R211-E215 IonicContact CZ-OE1 2.67Å; R211-E215 IonicContact NE-OE1 3.5Å; R211-E215 PolarHBondContact NE-OE1 3.48Å; R211-E215 IonicContact NE-OE2 2.62Å; R211-E215 IonicContact NH2-OE1 3.59Å; R211-E215 PolarHBondContact NH2-OE1 2.88Å; R211-E215 WeakPolarHBondContact O-CG 3.16Å; R211-E215 PolarHBondContact O-N 3Å; Q212-E215 PolarHBondContact O-N 3.24Å; Q212-E215 VanDerWaalsContact O-N 3.17Å; E215-M217 VanDerWaalsContact C-N 3.28Å; E215-M217 PolarHBondContact O-N 3.3Å; E215-L218 PolarHBondContact O-N 2.93Å; E215-L218 VanDerWaalsContact O-N 3.13Å; E215-E219 PolarHBondContact O-N 2.75Å
216	D	92.2	Very high	92.2	Very high	66 Å²	66	62.9 Å²	62.9	35%	0.353	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-31.6	173.7	-63.6	-7	0	0	0	113.2	Q212 K220	Q212-D216 PolarHBondContact NE2-OD1 3.3Å; Q212-D216 WeakPolarHBondContact O-CB 3.45Å; Q212-D216 PolarHBondContact O-N 2.84Å; D216-K220 WeakPolarHBondContact O-CD 3.46Å; D216-K220 WeakPolarHBondContact O-CG 3.27Å
217	M	90.4	Very high	91.9	Very high	31 Å²	31	59.3 Å²	59.3	15%	0.153	30%	0.296	C	S	.	.	H	α-helix	trans	-77.3	-36.6	174.7	-77.9	-172.2	-67.5	0	0	112	A213 I214 E215 K220 L221 M449 F605	A213-M217 WeakPolarHBondContact O-CE 3.44Å; A213-M217 VanDerWaalsContact O-CG 3.29Å; A213-M217 WeakPolarHBondContact O-CG 3.39Å; A213-M217 PolarHBondContact O-N 2.75Å; I214-M217 HydrophobicContact CG1-CE 4.31Å; I214-M217 PolarHBondContact O-N 2.91Å; E215-M217 VanDerWaalsContact C-N 3.28Å; E215-M217 PolarHBondContact O-N 3.3Å; M217-K220 PolarHBondContact O-N 3.4Å; M217-L221 PolarHBondContact O-N 2.92Å; M217-L221 VanDerWaalsContact O-N 3.13Å; M217-M449 HydrophobicContact CB-CE 3.59Å; M217-M449 HydrophobicContact CB-SD 3.99Å; M217-M449 HydrophobicContact CE-CE 3.75Å; M217-M449 HydrophobicContact CG-CE 4.42Å; M217-M449 HydrophobicContact SD-CE 4.05Å; M217-F605 HydrophobicContact CE-CE1 4.06Å
218	L	92.8	Very high	91.7	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-69.1	-38.8	178.2	-73.7	164.5	0	0	0	112	I214 E215 K220 L221 I290 V291 M449	I214-L218 HydrophobicContact CG2-CD1 3.82Å; I214-L218 HydrophobicContact CG2-CG 4.4Å; I214-L218 VanDerWaalsContact O-CG 3.29Å; I214-L218 WeakPolarHBondContact O-CG 3.42Å; I214-L218 PolarHBondContact O-N 3.33Å; E215-L218 PolarHBondContact O-N 2.93Å; E215-L218 VanDerWaalsContact O-N 3.13Å; L218-K220 PolarHBondContact O-N 2.81Å; L218-L221 HydrophobicContact CD2-CD2 4.4Å; L218-L221 VanDerWaalsContact O-CB 3.3Å; L218-L221 WeakPolarHBondContact O-CB 3.34Å; L218-L221 PolarHBondContact O-N 3.42Å; L218-L221 VanDerWaalsContact O-N 3.09Å; L218-I290 HydrophobicContact CD1-CG2 3.96Å; L218-I290 HydrophobicContact CD2-CB 4.14Å; L218-I290 HydrophobicContact CD2-CD1 4.22Å; L218-I290 HydrophobicContact CD2-CG2 4.06Å; L218-I290 HydrophobicContact CG-CG2 4.44Å; L218-V291 HydrophobicContact CD1-CG2 3.69Å; L218-M449 HydrophobicContact CD2-SD 3.78Å; L218-M449 HydrophobicContact CG-SD 4.05Å
219	E	92.5	Very high	91.4	Very high	155 Å²	155	62.4 Å²	62.4	72%	0.724	30%	0.301	S	S	*	.	H	α-helix	trans	-57.5	-35.9	173.3	-171.4	-176.6	-166.4	0	0	111.5	E215 P222	E215-E219 PolarHBondContact O-N 2.75Å; E219-P222 WeakPolarHBondContact O-CD 3.21Å
220	K	92	Very high	91.1	Very high	104 Å²	104	59.6 Å²	59.6	45%	0.452	28%	0.283	S	S	.	.	H	α-helix	trans	-86.1	-10	179.4	-62.7	172.3	-173	173.4	0	113.7	D216 M217 L218 H223 Y224	D216-K220 WeakPolarHBondContact O-CD 3.46Å; D216-K220 WeakPolarHBondContact O-CG 3.27Å; M217-K220 PolarHBondContact O-N 3.4Å; L218-K220 PolarHBondContact O-N 2.81Å; K220-H223 WeakPolarHBondContact O-CB 3.42Å; K220-H223 PolarHBondContact O-N 3.15Å; K220-Y224 HydrophobicContact CB-CD2 4.44Å; K220-Y224 HydrophobicContact CB-CE1 4.31Å; K220-Y224 HydrophobicContact CB-CE2 3.61Å; K220-Y224 WeakPolarHBondContact CB-OH 3.27Å; K220-Y224 WeakPolarHBondContact O-CD2 3.3Å; K220-Y224 PolarHBondContact O-N 3.31Å; K220-Y224 VanDerWaalsContact O-N 3.15Å
221	L	91.6	Very high	90.9	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-45.8	-177.8	179.6	61.3	0	0	0	113.3	M217 L218 H223 Y224 L225 M449 L452	M217-L221 PolarHBondContact O-N 2.92Å; M217-L221 VanDerWaalsContact O-N 3.13Å; L218-L221 HydrophobicContact CD2-CD2 4.4Å; L218-L221 VanDerWaalsContact O-CB 3.3Å; L218-L221 WeakPolarHBondContact O-CB 3.34Å; L218-L221 PolarHBondContact O-N 3.42Å; L218-L221 VanDerWaalsContact O-N 3.09Å; L221-H223 PolarHBondContact O-N 3.09Å; L221-Y224 PolarHBondContact O-N 2.86Å; L221-Y224 VanDerWaalsContact O-N 3.1Å; L221-L225 HydrophobicContact CD1-CD1 4.44Å; L221-L225 HydrophobicContact CD1-CD2 4.23Å; L221-L225 HydrophobicContact CD1-CG 4.07Å; L221-L225 HydrophobicContact CG-CD1 4.25Å; L221-L225 HydrophobicContact CG-CG 4.3Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.29Å; L221-M449 HydrophobicContact CD1-CG 4.39Å; L221-L452 HydrophobicContact CD1-CD1 4.24Å
222	P	91.5	Very high	90.7	Very high	87 Å²	87	57 Å²	57	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-58.8	-35.5	178	-24.5	35.3	0	0	0	113.2	E219 L225 E226	E219-P222 WeakPolarHBondContact O-CD 3.21Å; P222-L225 PolarHBondContact O-N 3.01Å; P222-E226 PolarHBondContact O-N 3.42Å
223	H	90.4	Very high	90.4	Very high	110 Å²	110	51.8 Å²	51.8	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-43.9	175.5	174.5	67.6	0	0	0	111.6	K220 L221 L225 E226 L227	K220-H223 WeakPolarHBondContact O-CB 3.42Å; K220-H223 PolarHBondContact O-N 3.15Å; L221-H223 PolarHBondContact O-N 3.09Å; H223-L225 PolarHBondContact O-N 2.7Å; H223-E226 PolarHBondContact O-N 3.13Å; H223-L227 WeakPolarHBondContact O-CG 3.49Å; H223-L227 PolarHBondContact O-N 2.8Å
224	Y	90.1	Very high	90.1	Very high	36 Å²	36	50.5 Å²	50.5	14%	0.141	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-41.6	174.8	-53.5	-41	0	0	0	112	K220 L221 E226 L227 I228 R453	K220-Y224 HydrophobicContact CB-CD2 4.44Å; K220-Y224 HydrophobicContact CB-CE1 4.31Å; K220-Y224 HydrophobicContact CB-CE2 3.61Å; K220-Y224 WeakPolarHBondContact CB-OH 3.27Å; K220-Y224 WeakPolarHBondContact O-CD2 3.3Å; K220-Y224 PolarHBondContact O-N 3.31Å; K220-Y224 VanDerWaalsContact O-N 3.15Å; L221-Y224 PolarHBondContact O-N 2.86Å; L221-Y224 VanDerWaalsContact O-N 3.1Å; Y224-E226 PolarHBondContact O-N 3.1Å; Y224-L227 PolarHBondContact O-N 2.91Å; Y224-I228 WeakPolarHBondContact O-CD1 3.41Å; Y224-I228 WeakPolarHBondContact O-CG1 3.34Å; Y224-I228 PolarHBondContact O-N 2.91Å; Y224-R453 HydrophobicContact CD1-CG 4.26Å; Y224-R453 HydrophobicContact CD2-CB 4.16Å; Y224-R453 HydrophobicContact CD2-CG 4.34Å; Y224-R453 HydrophobicContact CE1-CG 3.82Å; Y224-R453 HydrophobicContact CE2-CB 4.11Å; Y224-R453 HydrophobicContact CE2-CG 3.93Å; Y224-R453 HydrophobicContact CG-CB 4.44Å
225	L	90.9	Very high	89.7	Confident	22 Å²	22	58.7 Å²	58.7	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-42.4	177.1	-64.8	-177.3	0	0	0	112	L221 P222 H223 I228 K229 L271 V283 L452	L221-L225 HydrophobicContact CD1-CD1 4.44Å; L221-L225 HydrophobicContact CD1-CD2 4.23Å; L221-L225 HydrophobicContact CD1-CG 4.07Å; L221-L225 HydrophobicContact CG-CD1 4.25Å; L221-L225 HydrophobicContact CG-CG 4.3Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.29Å; P222-L225 PolarHBondContact O-N 3.01Å; H223-L225 PolarHBondContact O-N 2.7Å; L225-I228 PolarHBondContact O-N 3.27Å; L225-K229 VanDerWaalsContact O-CB 3.23Å; L225-K229 WeakPolarHBondContact O-CB 3.36Å; L225-K229 PolarHBondContact O-N 3.32Å; L225-L271 HydrophobicContact CD2-CD1 4.04Å; L225-V283 HydrophobicContact CD2-CG1 3.55Å; L225-L452 HydrophobicContact CD2-CD1 4.27Å
226	E	87.7	Confident	89.3	Confident	86 Å²	86	56 Å²	56	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-67	-35.4	176.7	-172.2	57.4	-145.8	0	0	112.2	P222 H223 Y224 K229 R230	P222-E226 PolarHBondContact O-N 3.42Å; H223-E226 PolarHBondContact O-N 3.13Å; Y224-E226 PolarHBondContact O-N 3.1Å; E226-K229 IonicContact OE1-NZ 3.86Å; E226-K229 WeakPolarHBondContact OE2-CD 3.45Å; E226-K229 IonicContact OE2-NZ 2.83Å; E226-K229 PolarHBondContact OE2-NZ 3.4Å; E226-R230 VanDerWaalsContact O-CG 3.31Å; E226-R230 WeakPolarHBondContact O-CG 3.39Å; E226-R230 PolarHBondContact O-N 3.16Å; E226-R230 VanDerWaalsContact O-N 3.09Å
227	L	87.1	Confident	89	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-52.6	169.7	-69.8	175.7	0	0	0	111.2	H223 Y224 K229 R230 L231 P456 M551	H223-L227 WeakPolarHBondContact O-CG 3.49Å; H223-L227 PolarHBondContact O-N 2.8Å; Y224-L227 PolarHBondContact O-N 2.91Å; L227-K229 VanDerWaalsContact C-N 3.27Å; L227-K229 PolarHBondContact O-N 3.25Å; L227-R230 PolarHBondContact O-N 3.27Å; L227-R230 VanDerWaalsContact O-N 3.14Å; L227-L231 PolarHBondContact O-N 3.1Å; L227-P456 HydrophobicContact CB-CG 4.3Å; L227-M551 HydrophobicContact CB-CE 3.81Å; L227-M551 HydrophobicContact CD2-CE 3.72Å; L227-M551 HydrophobicContact CD2-SD 3.96Å; L227-M551 HydrophobicContact CG-CE 4.37Å; L227-M551 WeakPolarHBondContact O-CE 3.46Å
228	I	89.7	Confident	88.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-38.2	-178.9	-61.4	163.5	0	0	0	111.1	Y224 L225 L231 L270 L271 I274 L452 P456	Y224-I228 WeakPolarHBondContact O-CD1 3.41Å; Y224-I228 WeakPolarHBondContact O-CG1 3.34Å; Y224-I228 PolarHBondContact O-N 2.91Å; L225-I228 PolarHBondContact O-N 3.27Å; I228-L231 PolarHBondContact O-N 3.04Å; I228-L270 HydrophobicContact CG2-CB 4.03Å; I228-L270 HydrophobicContact CG2-CD2 4.17Å; I228-L270 HydrophobicContact CG2-CG 3.95Å; I228-L271 HydrophobicContact CB-CB 4.44Å; I228-L271 HydrophobicContact CG2-CB 3.81Å; I228-L271 HydrophobicContact CG2-CD1 4.21Å; I228-I274 HydrophobicContact CG2-CD1 3.86Å; I228-L452 HydrophobicContact CD1-CB 3.95Å; I228-L452 HydrophobicContact CD1-CD2 3.73Å; I228-L452 HydrophobicContact CD1-CG 4.44Å; I228-L452 WeakPolarHBondContact CD1-O 3.42Å; I228-P456 HydrophobicContact CG1-CG 3.71Å
229	K	88.9	Confident	87.9	Confident	110 Å²	110	59.5 Å²	59.5	48%	0.478	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-35.2	176.7	-178.3	179.1	158.4	-152.9	0	113.2	L225 E226 L227 L231 S269 L271	L225-K229 VanDerWaalsContact O-CB 3.23Å; L225-K229 WeakPolarHBondContact O-CB 3.36Å; L225-K229 PolarHBondContact O-N 3.32Å; E226-K229 IonicContact OE1-NZ 3.86Å; E226-K229 WeakPolarHBondContact OE2-CD 3.45Å; E226-K229 IonicContact OE2-NZ 2.83Å; E226-K229 PolarHBondContact OE2-NZ 3.4Å; L227-K229 VanDerWaalsContact C-N 3.27Å; L227-K229 PolarHBondContact O-N 3.25Å; K229-L231 VanDerWaalsContact C-N 3.27Å; K229-L231 PolarHBondContact O-N 3.1Å; K229-S269 WeakPolarHBondContact O-CB 3.3Å; K229-L271 HydrophobicContact CB-CB 4.25Å; K229-L271 HydrophobicContact CB-CD2 3.83Å; K229-L271 HydrophobicContact CD-CD2 4.46Å; K229-L271 HydrophobicContact CG-CD2 4.32Å
230	R	88.3	Confident	87.2	Confident	102 Å²	102	55 Å²	55	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-71.2	-17.4	176.3	-75.7	173.6	60.3	-166.8	-4.7	113.6	E226 L227 P232 A550 M551 E553	E226-R230 VanDerWaalsContact O-CG 3.31Å; E226-R230 WeakPolarHBondContact O-CG 3.39Å; E226-R230 PolarHBondContact O-N 3.16Å; E226-R230 VanDerWaalsContact O-N 3.09Å; L227-R230 PolarHBondContact O-N 3.27Å; L227-R230 VanDerWaalsContact O-N 3.14Å; R230-P232 WeakPolarHBondContact O-CD 3.4Å; R230-A550 PolarHBondContact NH2-O 3.04Å; R230-M551 HydrophobicContact CB-CE 4.17Å; R230-E553 IonicContact NH1-OE1 3.83Å
231	L	88.9	Confident	86.4	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-82	118.4	-179	-74.5	171.9	0	0	0	112.2	L227 I228 K229 S269 L270 P456 Y459 I547 M551 L554	L227-L231 PolarHBondContact O-N 3.1Å; I228-L231 PolarHBondContact O-N 3.04Å; K229-L231 VanDerWaalsContact C-N 3.27Å; K229-L231 PolarHBondContact O-N 3.1Å; L231-S269 CarbonylContact O-C 3.25Å; L231-S269 WeakPolarHBondContact O-CA 3.39Å; L231-L270 HydrophobicContact CB-CB 4.05Å; L231-L270 HydrophobicContact CD1-CD2 3.93Å; L231-L270 PolarHBondContact O-N 3.22Å; L231-P456 HydrophobicContact CD1-CB 3.7Å; L231-P456 HydrophobicContact CD1-CG 4.3Å; L231-Y459 HydrophobicContact CD1-CD1 4.14Å; L231-Y459 HydrophobicContact CD2-CD1 4.49Å; L231-I547 HydrophobicContact CD2-CG2 3.95Å; L231-M551 HydrophobicContact CD1-CE 4.32Å; L231-M551 HydrophobicContact CD2-CB 4.24Å; L231-M551 HydrophobicContact CD2-CE 4.06Å; L231-M551 HydrophobicContact CD2-SD 4.38Å; L231-M551 HydrophobicContact CG-CE 3.77Å; L231-L554 HydrophobicContact CD1-CD1 4.37Å; L231-L554 HydrophobicContact CD2-CD1 3.9Å
232	P	88.7	Confident	85.3	Confident	28 Å²	28	57.6 Å²	57.6	18%	0.182	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-73.8	139	173.6	30.6	-33.9	0	0	0	110.9	R230 V234 Y459 A550	R230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-V234 PolarHBondContact O-N 2.75Å; P232-Y459 PolarHBondContact O-OH 3.2Å; P232-A550 HydrophobicContact CG-CB 4.3Å
233	L	86	Confident	84.1	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.068	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-72.2	119.9	165.1	-76.3	155.3	0	0	0	109.6	R235 V238 P268 S269 L270 W273 Y459	L233-R235 PolarHBondContact O-N 3.24Å; L233-V238 HydrophobicContact CB-CG2 4.03Å; L233-P268 HydrophobicContact CB-CG 4.3Å; L233-P268 VanDerWaalsContact CB-O 3.31Å; L233-P268 WeakPolarHBondContact CB-O 3.03Å; L233-P268 HydrophobicContact CD1-CB 4.01Å; L233-P268 HydrophobicContact CD1-CG 4.15Å; L233-P268 PolarHBondContact N-O 2.75Å; L233-S269 WeakPolarHBondContact CD1-O 3.35Å; L233-L270 HydrophobicContact CD2-CD1 4.11Å; L233-W273 HydrophobicContact CD1-CB 3.48Å; L233-W273 VanDerWaalsContact CD1-CB 3.48Å; L233-W273 HydrophobicContact CD1-CG 4.27Å; L233-W273 HydrophobicContact CD2-CB 4.47Å; L233-Y459 VanDerWaalsContact CA-OH 3.31Å; L233-Y459 WeakPolarHBondContact CA-OH 3.49Å; L233-Y459 HydrophobicContact CD2-CE2 4.35Å
234	V	87.1	Confident	82.9	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.3	125.5	177.8	-157.9	0	0	0	0	109.3	P232 P236 L237 Y459 V463 H543 I547	P232-V234 PolarHBondContact O-N 2.75Å; V234-P236 VanDerWaalsContact C-CD 3.41Å; V234-P236 HydrophobicContact CG1-CG 4.49Å; V234-P236 VanDerWaalsContact O-N 3.14Å; V234-L237 WeakPolarHBondContact O-CB 3.4Å; V234-L237 PolarHBondContact O-N 2.87Å; V234-Y459 WeakPolarHBondContact CG2-OH 3.48Å; V234-Y459 PolarHBondContact N-OH 3.45Å; V234-Y459 VanDerWaalsContact N-OH 3.07Å; V234-V463 HydrophobicContact CG2-CG1 4.33Å; V234-V463 HydrophobicContact CG2-CG2 4.36Å; V234-H543 HydrophobicContact CG1-CB 3.37Å; V234-H543 VanDerWaalsContact CG1-CD2 3.41Å; V234-H543 WeakPolarHBondContact CG1-CD2 3.22Å; V234-I547 HydrophobicContact CG2-CD1 3.84Å; V234-I547 HydrophobicContact CG2-CG1 4.35Å
235	R	84.2	Confident	81.7	Confident	173 Å²	173	56 Å²	56	65%	0.653	28%	0.28	S	S	*	.	H	α-helix	trans	-46.4	-44.3	-175.2	-66.8	-177.4	178.8	162.6	-0.6	115.3	L233 L237 V238 E239	L233-R235 PolarHBondContact O-N 3.24Å; R235-L237 PolarHBondContact O-N 2.77Å; R235-L237 VanDerWaalsContact O-N 3.12Å; R235-V238 WeakPolarHBondContact O-CB 3.41Å; R235-V238 PolarHBondContact O-N 3.06Å; R235-E239 WeakPolarHBondContact O-CG 3.45Å; R235-E239 PolarHBondContact O-N 3.37Å
236	P	85	Confident	80.4	Confident	12 Å²	12	58.6 Å²	58.6	8%	0.078	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-23.9	179.4	-22.7	35	0	0	0	114.3	V234 A240 P537 C538 H543	V234-P236 VanDerWaalsContact C-CD 3.41Å; V234-P236 HydrophobicContact CG1-CG 4.49Å; V234-P236 VanDerWaalsContact O-N 3.14Å; P236-A240 WeakPolarHBondContact O-CB 3.44Å; P236-A240 PolarHBondContact O-N 3.5Å; P236-A240 VanDerWaalsContact O-N 3.1Å; P236-P537 HydrophobicContact CB-CB 4.09Å; P236-C538 VanDerWaalsContact CG-O 3.31Å; P236-C538 WeakPolarHBondContact CG-O 3.34Å; P236-H543 VanDerWaalsContact CG-CE1 3.42Å; P236-H543 WeakPolarHBondContact CG-CE1 3.4Å
237	L	85.8	Confident	79.5	Confident	39 Å²	39	58.4 Å²	58.4	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-75	-33.6	174.1	-63.3	-177.3	0	0	0	112.2	V234 R235 Y459 V463 I466 P537 I539	V234-L237 WeakPolarHBondContact O-CB 3.4Å; V234-L237 PolarHBondContact O-N 2.87Å; R235-L237 PolarHBondContact O-N 2.77Å; R235-L237 VanDerWaalsContact O-N 3.12Å; L237-Y459 HydrophobicContact CD1-CE2 3.72Å; L237-V463 HydrophobicContact CD1-CG2 3.99Å; L237-I466 HydrophobicContact CD2-CD1 4Å; L237-P537 HydrophobicContact CD2-CB 4.08Å; L237-P537 HydrophobicContact CD2-CG 3.93Å; L237-I539 HydrophobicContact CD2-CD1 4Å; L237-I539 HydrophobicContact CG-CD1 4.44Å
238	V	81	Confident	78.4	Confident	19 Å²	19	58.5 Å²	58.5	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-73.8	-47.9	176.4	-174.3	0	0	0	0	109.4	L233 R235 A240 N241 E245	L233-V238 HydrophobicContact CB-CG2 4.03Å; R235-V238 WeakPolarHBondContact O-CB 3.41Å; R235-V238 PolarHBondContact O-N 3.06Å; V238-A240 VanDerWaalsContact C-N 3.31Å; V238-A240 PolarHBondContact O-N 3.36Å; V238-N241 CarbonylContact O-C 3.56Å; V238-N241 PolarHBondContact O-N 2.85Å; V238-N241 VanDerWaalsContact O-N 3.1Å; V238-E245 HydrophobicContact CG1-CB 3.88Å; V238-E245 HydrophobicContact CG1-CG 4.16Å
239	E	79.2	Confident	77.2	Confident	135 Å²	135	66.1 Å²	66.1	63%	0.631	33%	0.327	S	S	*	.	H	α-helix	trans	-61	-35.6	177.6	-68.3	163	-167.6	0	0	112.9	R235 N241	R235-E239 WeakPolarHBondContact O-CG 3.45Å; R235-E239 PolarHBondContact O-N 3.37Å; E239-N241 PolarHBondContact O-N 2.97Å
240	A	77.7	Confident	75.8	Confident	61 Å²	61	64.7 Å²	64.7	50%	0.504	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-6.4	177.7	0	0	0	0	0	114.3	P236 V238 P537	P236-A240 WeakPolarHBondContact O-CB 3.44Å; P236-A240 PolarHBondContact O-N 3.5Å; P236-A240 VanDerWaalsContact O-N 3.1Å; V238-A240 VanDerWaalsContact C-N 3.31Å; V238-A240 PolarHBondContact O-N 3.36Å; A240-P537 HydrophobicContact CB-CB 4.22Å; A240-P537 HydrophobicContact CB-CG 3.7Å
241	N	75.2	Confident	74.3	Confident	60 Å²	60	62.4 Å²	62.4	32%	0.321	34%	0.338	S	S	.	.			trans	-136.5	98.7	-178.6	-176.1	-5.2	0	0	0	110.9	V238 E239 L243 A244 E245	V238-N241 CarbonylContact O-C 3.56Å; V238-N241 PolarHBondContact O-N 2.85Å; V238-N241 VanDerWaalsContact O-N 3.1Å; E239-N241 PolarHBondContact O-N 2.97Å; N241-L243 PolarHBondContact O-N 2.97Å; N241-L243 WeakPolarHBondContact OD1-CB 3.3Å; N241-L243 PolarHBondContact OD1-N 3.29Å; N241-L243 VanDerWaalsContact OD1-N 3.14Å; N241-A244 HydrophobicContact CB-CB 3.85Å; N241-A244 WeakPolarHBondContact O-CA 3.43Å; N241-A244 WeakPolarHBondContact O-CB 3.43Å; N241-A244 PolarHBondContact O-N 3.4Å; N241-E245 PolarHBondContact O-N 3.04Å
242	P	68.7	Low	72.8	Confident	104 Å²	104	65.8 Å²	65.8	68%	0.675	36%	0.362	S	S	*	.	H	α-helix	trans	-54.2	-29.8	179.8	-27.6	35.3	0	0	0	114.4	S246	P242-S246 PolarHBondContact O-N 3.23Å
243	L	66.2	Low	71.2	Confident	113 Å²	113	67.3 Å²	67.3	59%	0.592	38%	0.383	S	S	*	.	H	α-helix	trans	-72	-33.1	175.6	-58.9	174.2	0	0	0	111.9	N241 R247	N241-L243 PolarHBondContact O-N 2.97Å; N241-L243 WeakPolarHBondContact OD1-CB 3.3Å; N241-L243 PolarHBondContact OD1-N 3.29Å; N241-L243 VanDerWaalsContact OD1-N 3.14Å; L243-R247 WeakPolarHBondContact O-CB 3.49Å; L243-R247 WeakPolarHBondContact O-CG 3.39Å; L243-R247 PolarHBondContact O-N 3.16Å; L243-R247 VanDerWaalsContact O-N 3.08Å
244	A	65.6	Low	69.4	Low	5 Å²	5	73 Å²	73	4%	0.041	41%	0.413	C	S	.	.	H	α-helix	trans	-67.8	-40.1	176	0	0	0	0	0	111.7	N241 R247 C248 W273	N241-A244 HydrophobicContact CB-CB 3.85Å; N241-A244 WeakPolarHBondContact O-CA 3.43Å; N241-A244 WeakPolarHBondContact O-CB 3.43Å; N241-A244 PolarHBondContact O-N 3.4Å; A244-R247 PolarHBondContact O-N 2.88Å; A244-C248 PolarHBondContact O-N 3.16Å; A244-C248 PolarHBondContact O-SG 3.5Å; A244-W273 VanDerWaalsContact CB-NE1 3.28Å
245	E	64.8	Low	67.5	Low	81 Å²	81	78.6 Å²	78.6	38%	0.379	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-45.7	176	-163.9	-179.4	-174	0	0	111.7	V238 N241 R247 C248 R249	V238-E245 HydrophobicContact CG1-CB 3.88Å; V238-E245 HydrophobicContact CG1-CG 4.16Å; N241-E245 PolarHBondContact O-N 3.04Å; E245-R247 PolarHBondContact O-N 2.99Å; E245-C248 PolarHBondContact O-N 3.42Å; E245-R249 VanDerWaalsContact CD-NH2 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.35Å; E245-R249 PolarHBondContact O-N 2.88Å; E245-R249 IonicContact OE1-CZ 3.63Å; E245-R249 IonicContact OE1-NE 3.8Å; E245-R249 IonicContact OE1-NH2 2.7Å; E245-R249 PolarHBondContact OE1-NH2 3.01Å; E245-R249 IonicContact OE2-NH2 2.75Å
246	S	63.6	Low	65.7	Low	78 Å²	78	75.4 Å²	75.4	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-44.6	175.8	-168.8	0	0	0	0	112.5	P242 R249 A250	P242-S246 PolarHBondContact O-N 3.23Å; S246-R249 PolarHBondContact O-N 3.12Å; S246-A250 PolarHBondContact O-N 2.86Å
247	R	67.8	Low	63.8	Low	81 Å²	81	79.9 Å²	79.9	31%	0.306	49%	0.488	S	S	.	.	H	α-helix	trans	-66.3	-39.9	178	-70.1	177	176.5	164.7	-1.2	113.2	L243 A244 E245 R249 A250 A251 G276	L243-R247 WeakPolarHBondContact O-CB 3.49Å; L243-R247 WeakPolarHBondContact O-CG 3.39Å; L243-R247 PolarHBondContact O-N 3.16Å; L243-R247 VanDerWaalsContact O-N 3.08Å; A244-R247 PolarHBondContact O-N 2.88Å; E245-R247 PolarHBondContact O-N 2.99Å; R247-R249 VanDerWaalsContact C-N 3.33Å; R247-R249 PolarHBondContact O-N 3.32Å; R247-A250 PolarHBondContact O-N 3.43Å; R247-A251 PolarHBondContact O-N 3.44Å; R247-A251 VanDerWaalsContact O-N 3.08Å; R247-G276 VanDerWaalsContact CD-O 3.24Å; R247-G276 WeakPolarHBondContact CD-O 3.49Å; R247-G276 WeakPolarHBondContact CG-O 3.45Å
248	C	64.5	Low	61.6	Low	13 Å²	13	82.8 Å²	82.8	9%	0.088	51%	0.512	C	S	.	.	H	α-helix	trans	-64.3	-39.1	175.6	-66.1	0	0	0	0	111.6	A244 E245 A251 S252 P268	A244-C248 PolarHBondContact O-N 3.16Å; A244-C248 PolarHBondContact O-SG 3.5Å; E245-C248 PolarHBondContact O-N 3.42Å; C248-A251 PolarHBondContact O-N 3.32Å; C248-S252 PolarHBondContact O-N 3.03Å; C248-S252 PolarHBondContact O-OG 2.85Å; C248-P268 HydrophobicContact CB-CB 4.02Å; C248-P268 HydrophobicContact CB-CG 4.07Å
249	R	64.2	Low	59.7	Low	160 Å²	160	89.9 Å²	89.9	60%	0.604	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-38.8	175.6	-68.1	178.2	-170.1	-172.5	5	112.6	E245 S246 R247 A251 S252	E245-R249 VanDerWaalsContact CD-NH2 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.35Å; E245-R249 PolarHBondContact O-N 2.88Å; E245-R249 IonicContact OE1-CZ 3.63Å; E245-R249 IonicContact OE1-NE 3.8Å; E245-R249 IonicContact OE1-NH2 2.7Å; E245-R249 PolarHBondContact OE1-NH2 3.01Å; E245-R249 IonicContact OE2-NH2 2.75Å; S246-R249 PolarHBondContact O-N 3.12Å; R247-R249 VanDerWaalsContact C-N 3.33Å; R247-R249 PolarHBondContact O-N 3.32Å; R249-A251 VanDerWaalsContact C-N 3.32Å; R249-A251 PolarHBondContact O-N 2.58Å; R249-S252 WeakPolarHBondContact CA-OG 3.39Å; R249-S252 PolarHBondContact O-N 3.32Å; R249-S252 PolarHBondContact O-OG 3.12Å
250	A	59.5	Low	57.7	Low	79 Å²	79	87 Å²	87	65%	0.653	56%	0.556	S	S	*	*	H	α-helix	trans	-62.1	-40.2	175.1	0	0	0	0	0	111.9	S246 R247 S252	S246-A250 PolarHBondContact O-N 2.86Å; R247-A250 PolarHBondContact O-N 3.43Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 3.06Å
251	A	57.1	Low	55.9	Low	55 Å²	55	90 Å²	90	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-70.8	-20.2	177.5	0	0	0	0	0	114.3	R247 C248 R249	R247-A251 PolarHBondContact O-N 3.44Å; R247-A251 VanDerWaalsContact O-N 3.08Å; C248-A251 PolarHBondContact O-N 3.32Å; R249-A251 VanDerWaalsContact C-N 3.32Å; R249-A251 PolarHBondContact O-N 2.58Å
252	S	57.9	Low	53.9	Low	70 Å²	70	92.4 Å²	92.4	49%	0.49	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-5.5	-178.4	54.5	0	0	0	0	115.2	C248 R249 A250 D254	C248-S252 PolarHBondContact O-N 3.03Å; C248-S252 PolarHBondContact O-OG 2.85Å; R249-S252 WeakPolarHBondContact CA-OG 3.39Å; R249-S252 PolarHBondContact O-N 3.32Å; R249-S252 PolarHBondContact O-OG 3.12Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 3.06Å; S252-D254 PolarHBondContact O-N 3.06Å
253	G	55.1	Low	52.3	Low	61 Å²	61	92.5 Å²	92.5	63%	0.629	60%	0.598	S	S	*	*			trans	70	-12.5	171.8	0	0	0	0	0	117.4	S255	G253-S255 PolarHBondContact O-N 3.18Å
254	D	48	Very low	51	Low	131 Å²	131	94.4 Å²	94.4	70%	0.701	61%	0.609	S	S	*	*			trans	-74.1	84.4	-178.2	-73.3	-30.5	0	0	0	112.9	S252	S252-D254 PolarHBondContact O-N 3.06Å
255	S	46.2	Very low	50.1	Low	120 Å²	120	100 Å²	100	84%	0.839	64%	0.642	S	S	*	*			trans	-100.3	54.1	172.1	68.2	0	0	0	0	112.4	G253	G253-S255 PolarHBondContact O-N 3.18Å
256	S	46.4	Very low	49.7	Very low	107 Å²	107	101.9 Å²	101.9	75%	0.748	66%	0.661	S	S	*	*			trans	-134.9	144.1	173.3	60.4	0	0	0	0	112.5
257	S	44.5	Very low	49.7	Very low	105 Å²	105	100.7 Å²	100.7	73%	0.734	66%	0.656	S	S	*	*			trans	-77	142.4	-170.1	50.1	0	0	0	0	113.4
258	S	40.1	Very low	50.1	Low	101 Å²	101	98.9 Å²	98.9	71%	0.706	66%	0.655	S	S	*	*			trans	26.9	105.5	152.7	62.4	0	0	0	0	117.7
259	D	41.4	Very low	51.1	Low	168 Å²	168	99.5 Å²	99.5	90%	0.898	66%	0.66	S	S	*	*				-153.9	147.2	117.3	-110.3	-27.4	0	0	0	112.4	S261	D259-S261 PolarHBondContact O-N 3.33Å
260	G	37.2	Very low	52.2	Low	74 Å²	74	92.5 Å²	92.5	76%	0.763	63%	0.634	S	S	*	*			trans	-80	112.1	-173.3	0	0	0	0	0	112.6
261	S	40.4	Very low	53.4	Low	124 Å²	124	89.4 Å²	89.4	87%	0.867	61%	0.607	S	S	*	*			trans	-149	145.1	155.1	-84.4	0	0	0	0	111.5	D259	D259-S261 PolarHBondContact O-N 3.33Å
262	S	33.4	Very low	54.6	Low	111 Å²	111	88.2 Å²	88.2	78%	0.776	60%	0.595	S	S	*	*			trans	-86.2	158.2	-162.4	45.4	0	0	0	0	114.3
263	S	34.3	Very low	55.8	Low	106 Å²	106	88 Å²	88	74%	0.741	58%	0.583	S	S	*	*	S	Bend	trans	81.1	129.8	163.2	73	0	0	0	0	119.1
264	N	40.2	Very low	57.1	Low	153 Å²	153	86.1 Å²	86.1	82%	0.818	56%	0.559	S	S	*	*			trans	81.4	33.9	160.7	-56.2	-9.9	0	0	0	120.4
265	T	46.4	Very low	58.7	Low	122 Å²	122	81.7 Å²	81.7	75%	0.748	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-69.7	124.3	150.3	38.8	0	0	0	0	109.6
266	P	56.6	Low	59.8	Low	120 Å²	120	77.1 Å²	77.1	78%	0.779	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-66	140.1	179.1	26.9	-33.3	0	0	0	110.2
267	A	62.9	Low	61	Low	53 Å²	53	74.9 Å²	74.9	44%	0.438	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-60.5	137.3	176	0	0	0	0	0	109.8	S269	A267-S269 PolarHBondContact O-N 2.87Å
268	P	75.9	Confident	62.1	Low	44 Å²	44	73.2 Å²	73.2	29%	0.286	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-60.3	139.9	-179.8	25.1	-32.9	0	0	0	109.7	L233 C248	L233-P268 HydrophobicContact CB-CG 4.3Å; L233-P268 VanDerWaalsContact CB-O 3.31Å; L233-P268 WeakPolarHBondContact CB-O 3.03Å; L233-P268 HydrophobicContact CD1-CB 4.01Å; L233-P268 HydrophobicContact CD1-CG 4.15Å; L233-P268 PolarHBondContact N-O 2.75Å; C248-P268 HydrophobicContact CB-CB 4.02Å; C248-P268 HydrophobicContact CB-CG 4.07Å
269	S	85	Confident	63.1	Low	26 Å²	26	78.2 Å²	78.2	18%	0.182	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-81.5	156.9	176.9	64.8	0	0	0	0	110.5	K229 L231 L233 A267 L271 S272 W273	K229-S269 WeakPolarHBondContact O-CB 3.3Å; L231-S269 CarbonylContact O-C 3.25Å; L231-S269 WeakPolarHBondContact O-CA 3.39Å; L233-S269 WeakPolarHBondContact CD1-O 3.35Å; A267-S269 PolarHBondContact O-N 2.87Å; S269-L271 PolarHBondContact O-N 3.17Å; S269-L271 VanDerWaalsContact O-N 3.16Å; S269-S272 PolarHBondContact N-OG 3.42Å; S269-S272 PolarHBondContact O-N 2.99Å; S269-S272 VanDerWaalsContact O-N 3.08Å; S269-S272 PolarHBondContact O-OG 2.74Å; S269-S272 PolarHBondContact OG-N 2.78Å; S269-S272 VanDerWaalsContact OG-N 3.1Å; S269-S272 PolarHBondContact OG-OG 3.34Å; S269-W273 PolarHBondContact O-N 3.39Å
270	L	87.4	Confident	64	Low	12 Å²	12	77.5 Å²	77.5	6%	0.063	48%	0.478	C	S	.	.	H	α-helix	trans	-54.3	-34.2	170.7	-176.7	61.3	0	0	0	110.9	I228 L231 L233 W273 I274 Y459	I228-L270 HydrophobicContact CG2-CB 4.03Å; I228-L270 HydrophobicContact CG2-CD2 4.17Å; I228-L270 HydrophobicContact CG2-CG 3.95Å; L231-L270 HydrophobicContact CB-CB 4.05Å; L231-L270 HydrophobicContact CD1-CD2 3.93Å; L231-L270 PolarHBondContact O-N 3.22Å; L233-L270 HydrophobicContact CD2-CD1 4.11Å; L270-W273 HydrophobicContact CD1-CE3 4.49Å; L270-W273 PolarHBondContact O-N 2.95Å; L270-I274 HydrophobicContact CD1-CD1 4.41Å; L270-I274 HydrophobicContact CG-CD1 4.01Å; L270-I274 VanDerWaalsContact O-CG1 3.31Å; L270-I274 WeakPolarHBondContact O-CG1 3.47Å; L270-I274 PolarHBondContact O-N 2.76Å; L270-Y459 HydrophobicContact CD1-CD2 4.13Å; L270-Y459 HydrophobicContact CD1-CE2 4.39Å; L270-Y459 HydrophobicContact CD2-CD1 4.23Å; L270-Y459 HydrophobicContact CD2-CD2 4.33Å; L270-Y459 HydrophobicContact CD2-CG 3.91Å
271	L	85.6	Confident	65.4	Low	15 Å²	15	75.7 Å²	75.7	8%	0.079	45%	0.45	C	S	.	.	H	α-helix	trans	-64.2	-46.8	177.1	-174.8	62.1	0	0	0	111.6	L225 I228 K229 S269 W273 I274 S275 V283	L225-L271 HydrophobicContact CD2-CD1 4.04Å; I228-L271 HydrophobicContact CB-CB 4.44Å; I228-L271 HydrophobicContact CG2-CB 3.81Å; I228-L271 HydrophobicContact CG2-CD1 4.21Å; K229-L271 HydrophobicContact CB-CB 4.25Å; K229-L271 HydrophobicContact CB-CD2 3.83Å; K229-L271 HydrophobicContact CD-CD2 4.46Å; K229-L271 HydrophobicContact CG-CD2 4.32Å; S269-L271 PolarHBondContact O-N 3.17Å; S269-L271 VanDerWaalsContact O-N 3.16Å; L271-W273 PolarHBondContact O-N 2.88Å; L271-I274 PolarHBondContact O-N 2.89Å; L271-I274 VanDerWaalsContact O-N 3.12Å; L271-S275 PolarHBondContact O-N 2.81Å; L271-S275 PolarHBondContact O-OG 2.65Å; L271-V283 HydrophobicContact CD1-CG1 4.01Å
272	S	81.5	Confident	67.1	Low	29 Å²	29	72.7 Å²	72.7	20%	0.203	42%	0.424	C	S	.	.	H	α-helix	trans	-62	-31.1	179	50.9	0	0	0	0	113.2	S269 G276	S269-S272 PolarHBondContact N-OG 3.42Å; S269-S272 PolarHBondContact O-N 2.99Å; S269-S272 VanDerWaalsContact O-N 3.08Å; S269-S272 PolarHBondContact O-OG 2.74Å; S269-S272 PolarHBondContact OG-N 2.78Å; S269-S272 VanDerWaalsContact OG-N 3.1Å; S269-S272 PolarHBondContact OG-OG 3.34Å; S272-G276 PolarHBondContact O-N 3.47Å
273	W	82.5	Confident	69.5	Low	67 Å²	67	67.5 Å²	67.5	25%	0.254	39%	0.388	S	S	.	.	H	α-helix	trans	-74.6	-39.5	173.6	178.7	90.7	0	0	0	112.4	L233 A244 S269 L270 L271 G276 T277	L233-W273 HydrophobicContact CD1-CB 3.48Å; L233-W273 VanDerWaalsContact CD1-CB 3.48Å; L233-W273 HydrophobicContact CD1-CG 4.27Å; L233-W273 HydrophobicContact CD2-CB 4.47Å; A244-W273 VanDerWaalsContact CB-NE1 3.28Å; S269-W273 PolarHBondContact O-N 3.39Å; L270-W273 HydrophobicContact CD1-CE3 4.49Å; L270-W273 PolarHBondContact O-N 2.95Å; L271-W273 PolarHBondContact O-N 2.88Å; W273-G276 PolarHBondContact O-N 2.9Å; W273-T277 HydrophobicContact CD2-CG2 4.4Å; W273-T277 HydrophobicContact CE3-CG2 4.26Å; W273-T277 HydrophobicContact CH2-CG2 4.32Å; W273-T277 HydrophobicContact CZ2-CG2 4.46Å; W273-T277 HydrophobicContact CZ3-CG2 4.22Å; W273-T277 VanDerWaalsContact O-CG2 3.25Å; W273-T277 WeakPolarHBondContact O-CG2 3.5Å; W273-T277 PolarHBondContact O-N 2.85Å
274	I	84.3	Confident	71.8	Confident	21 Å²	21	67.3 Å²	67.3	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-63.7	-48.8	175.9	-66	169.6	0	0	0	110.5	I228 L270 L271 G276 T277 V283 L452	I228-I274 HydrophobicContact CG2-CD1 3.86Å; L270-I274 HydrophobicContact CD1-CD1 4.41Å; L270-I274 HydrophobicContact CG-CD1 4.01Å; L270-I274 VanDerWaalsContact O-CG1 3.31Å; L270-I274 WeakPolarHBondContact O-CG1 3.47Å; L270-I274 PolarHBondContact O-N 2.76Å; L271-I274 PolarHBondContact O-N 2.89Å; L271-I274 VanDerWaalsContact O-N 3.12Å; I274-G276 PolarHBondContact O-N 2.87Å; I274-T277 WeakPolarHBondContact O-CB 3.47Å; I274-T277 PolarHBondContact O-N 2.96Å; I274-T277 PolarHBondContact O-OG1 3.35Å; I274-V283 HydrophobicContact CG2-CG2 4.13Å; I274-L452 HydrophobicContact CD1-CD2 4.28Å; I274-L452 HydrophobicContact CG2-CD2 4.05Å
275	S	80.2	Confident	74	Confident	37 Å²	37	64.5 Å²	64.5	26%	0.259	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-27.6	175.9	-63.9	0	0	0	0	113	L271 T277	L271-S275 PolarHBondContact O-N 2.81Å; L271-S275 PolarHBondContact O-OG 2.65Å; S275-T277 VanDerWaalsContact C-N 3.32Å; S275-T277 PolarHBondContact O-N 3.13Å
276	G	70	Confident	76.1	Confident	25 Å²	25	58.7 Å²	58.7	26%	0.258	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	7.6	173.3	0	0	0	0	0	115.2	R247 S272 W273 I274	R247-G276 VanDerWaalsContact CD-O 3.24Å; R247-G276 WeakPolarHBondContact CD-O 3.49Å; R247-G276 WeakPolarHBondContact CG-O 3.45Å; S272-G276 PolarHBondContact O-N 3.47Å; W273-G276 PolarHBondContact O-N 2.9Å; I274-G276 PolarHBondContact O-N 2.87Å
277	T	71.1	Confident	77.7	Confident	60 Å²	60	53.7 Å²	53.7	37%	0.368	30%	0.295	S	S	.	.	S	Bend	trans	-90	-24.4	-179.5	60.9	0	0	0	0	115.4	W273 I274 S275	W273-T277 HydrophobicContact CD2-CG2 4.4Å; W273-T277 HydrophobicContact CE3-CG2 4.26Å; W273-T277 HydrophobicContact CH2-CG2 4.32Å; W273-T277 HydrophobicContact CZ2-CG2 4.46Å; W273-T277 HydrophobicContact CZ3-CG2 4.22Å; W273-T277 VanDerWaalsContact O-CG2 3.25Å; W273-T277 WeakPolarHBondContact O-CG2 3.5Å; W273-T277 PolarHBondContact O-N 2.85Å; I274-T277 WeakPolarHBondContact O-CB 3.47Å; I274-T277 PolarHBondContact O-N 2.96Å; I274-T277 PolarHBondContact O-OG1 3.35Å; S275-T277 VanDerWaalsContact C-N 3.32Å; S275-T277 PolarHBondContact O-N 3.13Å
278	D	66.9	Low	79.1	Confident	69 Å²	69	54.4 Å²	54.4	37%	0.369	30%	0.297	S	S	.	.			trans	-141.8	116.8	-174.2	-170.8	-16.8	0	0	0	109.4	E280 M281	D278-E280 VanDerWaalsContact C-N 3.29Å; D278-E280 PolarHBondContact O-N 3.11Å; D278-E280 PolarHBondContact OD1-N 2.9Å; D278-E280 VanDerWaalsContact OD1-N 3.08Å; D278-M281 HydrophobicContact CB-CE 4.4Å; D278-M281 WeakPolarHBondContact OD2-CE 3.33Å
279	E	61.8	Low	79.8	Confident	207 Å²	207	54.5 Å²	54.5	97%	0.967	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.1	-176.8	-65.2	-177.3	177.8	0	0	112.7
280	E	59.8	Low	80.2	Confident	153 Å²	153	53.3 Å²	53.3	72%	0.715	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.8	-176.5	-61.3	-171.2	172.6	0	0	113.2	D278	D278-E280 VanDerWaalsContact C-N 3.29Å; D278-E280 PolarHBondContact O-N 3.11Å; D278-E280 PolarHBondContact OD1-N 2.9Å; D278-E280 VanDerWaalsContact OD1-N 3.08Å
281	M	66.6	Low	80.6	Confident	35 Å²	35	55.6 Å²	55.6	17%	0.172	30%	0.299	C	S	.	.			trans	-137.3	87.9	-165.6	-174.3	169.4	46.9	0	0	113.3	D278 V283 L286 R445 L448	D278-M281 HydrophobicContact CB-CE 4.4Å; D278-M281 WeakPolarHBondContact OD2-CE 3.33Å; M281-V283 PolarHBondContact O-N 2.85Å; M281-V283 VanDerWaalsContact O-N 3.11Å; M281-L286 HydrophobicContact SD-CD1 4.11Å; M281-R445 HydrophobicContact SD-CG 4.25Å; M281-L448 HydrophobicContact CE-CD2 3.49Å; M281-L448 VanDerWaalsContact CE-CD2 3.49Å; M281-L448 HydrophobicContact CG-CD2 4.45Å; M281-L448 HydrophobicContact SD-CD2 3.52Å; M281-L448 VanDerWaalsContact SD-CD2 3.52Å
282	D	77.5	Confident	80.9	Confident	61 Å²	61	58.9 Å²	58.9	33%	0.326	32%	0.32	S	S	.	.			trans	-60.3	117	162.4	-175.6	8.6	0	0	0	110.6	N284 E285 L286	D282-N284 PolarHBondContact O-N 3.26Å; D282-N284 WeakPolarHBondContact OD1-CB 3.39Å; D282-N284 PolarHBondContact OD1-N 3.42Å; D282-N284 PolarHBondContact OD1-ND2 2.76Å; D282-E285 HydrophobicContact CB-CB 4.3Å; D282-E285 HydrophobicContact CB-CG 4.18Å; D282-E285 PolarHBondContact O-N 2.72Å; D282-E285 VanDerWaalsContact O-N 3.12Å; D282-L286 PolarHBondContact O-N 2.88Å
283	V	83.1	Confident	81.4	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.018	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.9	176.3	178.2	0	0	0	0	111.7	L225 L271 I274 M281 L286 L452	L225-V283 HydrophobicContact CD2-CG1 3.55Å; L271-V283 HydrophobicContact CD1-CG1 4.01Å; I274-V283 HydrophobicContact CG2-CG2 4.13Å; M281-V283 PolarHBondContact O-N 2.85Å; M281-V283 VanDerWaalsContact O-N 3.11Å; V283-L286 VanDerWaalsContact O-CB 3.23Å; V283-L286 WeakPolarHBondContact O-CB 3.4Å; V283-L286 PolarHBondContact O-N 3.46Å; V283-L452 HydrophobicContact CG1-CD1 3.95Å; V283-L452 HydrophobicContact CG1-CD2 4.22Å
284	N	81.9	Confident	82	Confident	101 Å²	101	55.5 Å²	55.5	54%	0.54	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.9	177.2	-55.3	-77	0	0	0	111.8	D282 L286	D282-N284 PolarHBondContact O-N 3.26Å; D282-N284 WeakPolarHBondContact OD1-CB 3.39Å; D282-N284 PolarHBondContact OD1-N 3.42Å; D282-N284 PolarHBondContact OD1-ND2 2.76Å; N284-L286 VanDerWaalsContact C-N 3.33Å
285	E	87	Confident	82.5	Confident	94 Å²	94	57.8 Å²	57.8	44%	0.439	32%	0.317	S	S	.	.	S	Bend	trans	-84.1	-4.1	174.8	-62.9	-173	146.5	0	0	113.5	D282 G287 S288 K289	D282-E285 HydrophobicContact CB-CB 4.3Å; D282-E285 HydrophobicContact CB-CG 4.18Å; D282-E285 PolarHBondContact O-N 2.72Å; D282-E285 VanDerWaalsContact O-N 3.12Å; E285-G287 VanDerWaalsContact C-N 3.27Å; E285-G287 PolarHBondContact O-N 2.94Å; E285-S288 PolarHBondContact O-N 3.12Å; E285-S288 PolarHBondContact O-OG 3.1Å; E285-K289 HydrophobicContact CB-CD 4.04Å; E285-K289 HydrophobicContact CB-CG 4.45Å; E285-K289 WeakPolarHBondContact O-CB 3.44Å; E285-K289 WeakPolarHBondContact O-CG 3.47Å; E285-K289 PolarHBondContact O-N 2.84Å; E285-K289 WeakPolarHBondContact OE2-CE 3.5Å; E285-K289 IonicContact OE2-NZ 3.66Å; E285-K289 PolarHBondContact OE2-NZ 3.37Å
286	L	90.5	Very high	83.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-54.9	-43.2	-176.6	-179.2	64.2	0	0	0	112	M281 D282 V283 N284 I290 R445 L448 M449 L452	M281-L286 HydrophobicContact SD-CD1 4.11Å; D282-L286 PolarHBondContact O-N 2.88Å; V283-L286 VanDerWaalsContact O-CB 3.23Å; V283-L286 WeakPolarHBondContact O-CB 3.4Å; V283-L286 PolarHBondContact O-N 3.46Å; N284-L286 VanDerWaalsContact C-N 3.33Å; L286-I290 HydrophobicContact CD1-CD1 3.9Å; L286-I290 HydrophobicContact CD1-CG1 4.26Å; L286-I290 HydrophobicContact CG-CD1 3.81Å; L286-I290 WeakPolarHBondContact O-CB 3.45Å; L286-I290 VanDerWaalsContact O-CG1 3.24Å; L286-I290 WeakPolarHBondContact O-CG1 3.43Å; L286-I290 PolarHBondContact O-N 3.1Å; L286-R445 HydrophobicContact CD1-CB 3.81Å; L286-R445 HydrophobicContact CD1-CG 3.95Å; L286-L448 HydrophobicContact CD1-CD2 4.12Å; L286-L448 HydrophobicContact CD2-CD2 3.81Å; L286-L448 HydrophobicContact CD2-CG 4.12Å; L286-M449 HydrophobicContact CD2-CB 4.41Å; L286-L452 HydrophobicContact CD2-CD1 3.56Å
287	G	91.2	Very high	84.2	Confident	15 Å²	15	57 Å²	57	16%	0.155	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-48.1	-178.7	0	0	0	0	0	113	E285 I290 V291	E285-G287 VanDerWaalsContact C-N 3.27Å; E285-G287 PolarHBondContact O-N 2.94Å; G287-I290 PolarHBondContact O-N 2.79Å; G287-V291 WeakPolarHBondContact O-CG2 3.49Å; G287-V291 PolarHBondContact O-N 2.78Å
288	S	91.2	Very high	85.3	Confident	68 Å²	68	55.2 Å²	55.2	48%	0.476	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-38.6	178.5	55.1	0	0	0	0	111.9	E285 V291 T292	E285-S288 PolarHBondContact O-N 3.12Å; E285-S288 PolarHBondContact O-OG 3.1Å; S288-V291 PolarHBondContact O-N 3.2Å; S288-T292 WeakPolarHBondContact O-CB 3.49Å; S288-T292 PolarHBondContact O-N 2.96Å; S288-T292 PolarHBondContact O-OG1 3.23Å
289	K	91.8	Very high	86.5	Confident	47 Å²	47	57 Å²	57	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-45.1	174	-73.8	171.4	-177.8	165.8	0	112.1	E285 T292 D293	E285-K289 HydrophobicContact CB-CD 4.04Å; E285-K289 HydrophobicContact CB-CG 4.45Å; E285-K289 WeakPolarHBondContact O-CB 3.44Å; E285-K289 WeakPolarHBondContact O-CG 3.47Å; E285-K289 PolarHBondContact O-N 2.84Å; E285-K289 WeakPolarHBondContact OE2-CE 3.5Å; E285-K289 IonicContact OE2-NZ 3.66Å; E285-K289 PolarHBondContact OE2-NZ 3.37Å; K289-T292 PolarHBondContact O-N 2.87Å; K289-D293 WeakPolarHBondContact O-CB 3.47Å; K289-D293 PolarHBondContact O-N 2.79Å
290	I	93.6	Very high	87.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-46.9	175	-70.7	167	0	0	0	111	I214 L218 L286 G287 T292 L294 L442 R445 L446 M449	I214-I290 HydrophobicContact CG2-CG2 4.13Å; L218-I290 HydrophobicContact CD1-CG2 3.96Å; L218-I290 HydrophobicContact CD2-CB 4.14Å; L218-I290 HydrophobicContact CD2-CD1 4.22Å; L218-I290 HydrophobicContact CD2-CG2 4.06Å; L218-I290 HydrophobicContact CG-CG2 4.44Å; L286-I290 HydrophobicContact CD1-CD1 3.9Å; L286-I290 HydrophobicContact CD1-CG1 4.26Å; L286-I290 HydrophobicContact CG-CD1 3.81Å; L286-I290 WeakPolarHBondContact O-CB 3.45Å; L286-I290 VanDerWaalsContact O-CG1 3.24Å; L286-I290 WeakPolarHBondContact O-CG1 3.43Å; L286-I290 PolarHBondContact O-N 3.1Å; G287-I290 PolarHBondContact O-N 2.79Å; I290-T292 VanDerWaalsContact C-N 3.34Å; I290-T292 PolarHBondContact O-N 3.48Å; I290-L294 WeakPolarHBondContact O-CB 3.4Å; I290-L294 PolarHBondContact O-N 3.14Å; I290-L442 HydrophobicContact CB-CD1 4.37Å; I290-L442 HydrophobicContact CG1-CD1 4.44Å; I290-L442 HydrophobicContact CG2-CD1 3.93Å; I290-R445 HydrophobicContact CD1-CB 4.13Å; I290-R445 HydrophobicContact CG1-CB 3.74Å; I290-L446 HydrophobicContact CD1-CD2 4.38Å; I290-L446 HydrophobicContact CG2-CD2 3.78Å; I290-M449 HydrophobicContact CD1-CB 4.32Å; I290-M449 HydrophobicContact CD1-SD 4.18Å
291	V	93.9	Very high	89.3	Confident	61 Å²	61	48 Å²	48	37%	0.37	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-42.2	179	172	0	0	0	0	111.6	L218 G287 S288 N295	L218-V291 HydrophobicContact CD1-CG2 3.69Å; G287-V291 WeakPolarHBondContact O-CG2 3.49Å; G287-V291 PolarHBondContact O-N 2.78Å; S288-V291 PolarHBondContact O-N 3.2Å; V291-N295 WeakPolarHBondContact O-CB 3.45Å; V291-N295 VanDerWaalsContact O-CG 3.28Å; V291-N295 PolarHBondContact O-N 2.9Å; V291-N295 PolarHBondContact O-ND2 3.45Å
292	T	93	Very high	90.4	Very high	84 Å²	84	46.8 Å²	46.8	52%	0.515	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-52.4	179.9	-57.4	0	0	0	0	110.9	S288 K289 I290 L294 N295 V296	S288-T292 WeakPolarHBondContact O-CB 3.49Å; S288-T292 PolarHBondContact O-N 2.96Å; S288-T292 PolarHBondContact O-OG1 3.23Å; K289-T292 PolarHBondContact O-N 2.87Å; I290-T292 VanDerWaalsContact C-N 3.34Å; I290-T292 PolarHBondContact O-N 3.48Å; T292-L294 PolarHBondContact O-N 2.89Å; T292-N295 PolarHBondContact O-N 3Å; T292-V296 WeakPolarHBondContact O-CG2 3.3Å; T292-V296 PolarHBondContact O-N 3.27Å
293	D	92.4	Very high	90.9	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-42.2	178.3	-73.1	-12.5	0	0	0	111.9	K289 N295 V296 V297 L442 R445	K289-D293 WeakPolarHBondContact O-CB 3.47Å; K289-D293 PolarHBondContact O-N 2.79Å; D293-N295 PolarHBondContact O-N 2.94Å; D293-V296 PolarHBondContact O-N 2.91Å; D293-V297 VanDerWaalsContact O-CB 3.3Å; D293-V297 WeakPolarHBondContact O-CB 3.39Å; D293-V297 VanDerWaalsContact O-CG2 3.27Å; D293-V297 WeakPolarHBondContact O-CG2 3.32Å; D293-V297 PolarHBondContact O-N 3.47Å; D293-L442 HydrophobicContact CB-CB 4.25Å; D293-L442 HydrophobicContact CB-CD1 4.07Å; D293-L442 HydrophobicContact CB-CD2 4.32Å; D293-L442 HydrophobicContact CB-CG 4.44Å; D293-R445 IonicContact OD1-NH1 3.18Å; D293-R445 IonicContact OD2-CZ 3.82Å; D293-R445 IonicContact OD2-NH1 2.8Å; D293-R445 PolarHBondContact OD2-NH1 2.97Å
294	L	94.8	Very high	91.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-42.6	179.1	-176.5	67.5	0	0	0	111.3	L207 R211 I214 I290 T292 L298 L442	L207-L294 HydrophobicContact CB-CD1 4.18Å; L207-L294 HydrophobicContact CD2-CD1 4.21Å; R211-L294 HydrophobicContact CG-CD2 4.4Å; I214-L294 HydrophobicContact CD1-CD1 4.32Å; I214-L294 HydrophobicContact CG2-CD2 3.98Å; I290-L294 WeakPolarHBondContact O-CB 3.4Å; I290-L294 PolarHBondContact O-N 3.14Å; T292-L294 PolarHBondContact O-N 2.89Å; L294-L298 HydrophobicContact CD1-CD1 3.68Å; L294-L298 HydrophobicContact CD1-CG 4.07Å; L294-L298 HydrophobicContact CG-CD1 3.95Å; L294-L298 HydrophobicContact CG-CG 4.47Å; L294-L298 VanDerWaalsContact O-CB 3.24Å; L294-L298 WeakPolarHBondContact O-CB 3.2Å; L294-L298 WeakPolarHBondContact O-CG 3.23Å; L294-L298 PolarHBondContact O-N 2.86Å; L294-L442 HydrophobicContact CB-CD2 4.22Å; L294-L442 HydrophobicContact CD1-CD2 4.1Å
295	N	94.3	Very high	91.6	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-39.7	177.5	-73.2	-28.8	0	0	0	112.2	R211 V291 T292 D293 E299	R211-N295 PolarHBondContact NH1-OD1 3.06Å; R211-N295 PolarHBondContact NH2-OD1 3.32Å; V291-N295 WeakPolarHBondContact O-CB 3.45Å; V291-N295 VanDerWaalsContact O-CG 3.28Å; V291-N295 PolarHBondContact O-N 2.9Å; V291-N295 PolarHBondContact O-ND2 3.45Å; T292-N295 PolarHBondContact O-N 3Å; D293-N295 PolarHBondContact O-N 2.94Å; N295-E299 PolarHBondContact O-N 3.47Å; N295-E299 VanDerWaalsContact O-N 3.1Å
296	V	92.9	Very high	91.8	Very high	45 Å²	45	42.6 Å²	42.6	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-65.8	-45	175.8	171.6	0	0	0	0	111.5	T292 D293 L298 E299	T292-V296 WeakPolarHBondContact O-CG2 3.3Å; T292-V296 PolarHBondContact O-N 3.27Å; D293-V296 PolarHBondContact O-N 2.91Å; V296-L298 VanDerWaalsContact C-N 3.32Å; V296-L298 PolarHBondContact O-N 3.41Å; V296-E299 WeakPolarHBondContact O-CB 3.31Å; V296-E299 PolarHBondContact O-N 2.67Å
297	V	92.4	Very high	91.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-30.9	180	165.2	0	0	0	0	112.4	R204 L207 D293 R438 V439 L442	R204-V297 HydrophobicContact CG-CG1 4.02Å; R204-V297 WeakPolarHBondContact CG-O 3.26Å; L207-V297 HydrophobicContact CD1-CG1 3.78Å; D293-V297 VanDerWaalsContact O-CB 3.3Å; D293-V297 WeakPolarHBondContact O-CB 3.39Å; D293-V297 VanDerWaalsContact O-CG2 3.27Å; D293-V297 WeakPolarHBondContact O-CG2 3.32Å; D293-V297 PolarHBondContact O-N 3.47Å; V297-R438 HydrophobicContact CG2-CB 4.13Å; V297-V439 HydrophobicContact CB-CG2 4.49Å; V297-V439 HydrophobicContact CG1-CG2 3.57Å; V297-V439 HydrophobicContact CG2-CG2 4Å; V297-L442 HydrophobicContact CG2-CD2 4.48Å
298	L	94.1	Very high	91.9	Very high	23 Å²	23	52 Å²	52	12%	0.12	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.7	177.9	-62.7	-174.2	0	0	0	113.7	R204 L207 A208 L294 V296 N300	R204-L298 HydrophobicContact CG-CD2 4.05Å; R204-L298 WeakPolarHBondContact O-CD2 3.35Å; L207-L298 HydrophobicContact CB-CD2 4.15Å; A208-L298 HydrophobicContact CB-CD1 4.49Å; A208-L298 HydrophobicContact CB-CD2 3.83Å; L294-L298 HydrophobicContact CD1-CD1 3.68Å; L294-L298 HydrophobicContact CD1-CG 4.07Å; L294-L298 HydrophobicContact CG-CD1 3.95Å; L294-L298 HydrophobicContact CG-CG 4.47Å; L294-L298 VanDerWaalsContact O-CB 3.24Å; L294-L298 WeakPolarHBondContact O-CB 3.2Å; L294-L298 WeakPolarHBondContact O-CG 3.23Å; L294-L298 PolarHBondContact O-N 2.86Å; V296-L298 VanDerWaalsContact C-N 3.32Å; V296-L298 PolarHBondContact O-N 3.41Å; L298-N300 PolarHBondContact O-N 3.5Å
299	E	92.8	Very high	91.9	Very high	106 Å²	106	49.3 Å²	49.3	50%	0.495	27%	0.267	S	S	.	.			trans	-65.8	132.5	176.9	-158.4	-173.9	130	0	0	110.6	N295 V296 S301 V302	N295-E299 PolarHBondContact O-N 3.47Å; N295-E299 VanDerWaalsContact O-N 3.1Å; V296-E299 WeakPolarHBondContact O-CB 3.31Å; V296-E299 PolarHBondContact O-N 2.67Å; E299-S301 WeakPolarHBondContact CG-OG 3.38Å; E299-S301 PolarHBondContact O-N 2.83Å; E299-S301 WeakPolarHBondContact OE1-CB 3.14Å; E299-S301 PolarHBondContact OE1-OG 3.29Å; E299-V302 HydrophobicContact CB-CG2 4.42Å; E299-V302 WeakPolarHBondContact O-CB 3.35Å; E299-V302 PolarHBondContact O-N 3.47Å; E299-V302 VanDerWaalsContact O-N 3.11Å
300	N	90.4	Very high	91.8	Very high	120 Å²	120	50.2 Å²	50.2	64%	0.642	27%	0.272	S	S	*	.	H	α-helix	trans	-63.5	-25.2	-177.3	-76.2	-13.8	0	0	0	113	L298 V302 L303 V304	L298-N300 PolarHBondContact O-N 3.5Å; N300-V302 PolarHBondContact O-N 3Å; N300-L303 PolarHBondContact O-N 2.88Å; N300-L303 VanDerWaalsContact O-N 3.08Å; N300-V304 WeakPolarHBondContact O-CG2 3.47Å; N300-V304 PolarHBondContact O-N 3.22Å
301	S	89.6	Confident	91.8	Very high	51 Å²	51	55.3 Å²	55.3	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-56.2	-36.1	174.2	58	0	0	0	0	112.3	E299 L303 V304 T305	E299-S301 WeakPolarHBondContact CG-OG 3.38Å; E299-S301 PolarHBondContact O-N 2.83Å; E299-S301 WeakPolarHBondContact OE1-CB 3.14Å; E299-S301 PolarHBondContact OE1-OG 3.29Å; S301-L303 VanDerWaalsContact C-N 3.33Å; S301-L303 PolarHBondContact O-N 3.45Å; S301-V304 PolarHBondContact O-N 2.75Å; S301-T305 WeakPolarHBondContact O-CG2 3.33Å; S301-T305 PolarHBondContact O-N 3.36Å; S301-T305 PolarHBondContact O-OG1 3.42Å
302	V	89.2	Confident	91.8	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-69.5	-28	178.4	-177.2	0	0	0	0	112.2	F200 E299 N300 T305 F306 Q435	F200-V302 HydrophobicContact CE1-CG1 3.97Å; F200-V302 HydrophobicContact CZ-CG1 3.8Å; E299-V302 HydrophobicContact CB-CG2 4.42Å; E299-V302 WeakPolarHBondContact O-CB 3.35Å; E299-V302 PolarHBondContact O-N 3.47Å; E299-V302 VanDerWaalsContact O-N 3.11Å; N300-V302 PolarHBondContact O-N 3Å; V302-T305 PolarHBondContact O-OG1 3.5Å; V302-F306 HydrophobicContact CG1-CD2 4.19Å; V302-F306 HydrophobicContact CG1-CE2 3.62Å; V302-F306 HydrophobicContact CG1-CZ 4.34Å; V302-F306 WeakPolarHBondContact O-CD2 3.49Å; V302-F306 WeakPolarHBondContact O-CG 3.3Å; V302-Q435 HydrophobicContact CG1-CG 4.08Å
303	L	89.7	Confident	91.8	Very high	39 Å²	39	50.8 Å²	50.8	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-73.7	-49.8	167.7	-84.7	-178.9	0	0	0	111.2	R204 N300 S301 T305 F306 E307	R204-L303 VanDerWaalsContact CZ-CG 3.48Å; N300-L303 PolarHBondContact O-N 2.88Å; N300-L303 VanDerWaalsContact O-N 3.08Å; S301-L303 VanDerWaalsContact C-N 3.33Å; S301-L303 PolarHBondContact O-N 3.45Å; L303-T305 PolarHBondContact O-N 3.01Å; L303-F306 CarbonylContact O-C 3.42Å; L303-F306 WeakPolarHBondContact O-CA 3.39Å; L303-F306 PolarHBondContact O-N 3.1Å; L303-E307 WeakPolarHBondContact O-CG 3.45Å; L303-E307 PolarHBondContact O-N 3Å
304	V	90.6	Very high	91.7	Very high	65 Å²	65	50.7 Å²	50.7	39%	0.394	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-37	-174.1	172.8	0	0	0	0	111.3	N300 S301 Q308	N300-V304 WeakPolarHBondContact O-CG2 3.47Å; N300-V304 PolarHBondContact O-N 3.22Å; S301-V304 PolarHBondContact O-N 2.75Å; V304-Q308 WeakPolarHBondContact O-CB 3.34Å; V304-Q308 WeakPolarHBondContact O-CG 3.38Å; V304-Q308 PolarHBondContact O-N 2.85Å
305	T	89.1	Confident	91.6	Very high	60 Å²	60	53.1 Å²	53.1	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-41	173.1	52.8	0	0	0	0	112.6	S301 V302 L303 C309	S301-T305 WeakPolarHBondContact O-CG2 3.33Å; S301-T305 PolarHBondContact O-N 3.36Å; S301-T305 PolarHBondContact O-OG1 3.42Å; V302-T305 PolarHBondContact O-OG1 3.5Å; L303-T305 PolarHBondContact O-N 3.01Å; T305-C309 PolarHBondContact O-N 3.05Å; T305-C309 PolarHBondContact O-SG 2.71Å
306	F	90.9	Very high	91.5	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-75.6	-32.6	177.8	-62.6	-33.9	0	0	0	113.4	I197 F200 V302 L303 C309 E310 E431 V432 Q435	I197-F306 HydrophobicContact CD1-CB 4.48Å; I197-F306 HydrophobicContact CG2-CB 4.14Å; F200-F306 AromaticContact CD1-CD2 3.87Å; F200-F306 HydrophobicContact CD1-CD2 3.87Å; F200-F306 AromaticContact CD1-CE2 3.63Å; F200-F306 HydrophobicContact CD1-CE2 3.63Å; F200-F306 AromaticContact CE1-CD2 3.78Å; F200-F306 HydrophobicContact CE1-CD2 3.78Å; F200-F306 AromaticContact CE1-CE2 3.42Å; F200-F306 HydrophobicContact CE1-CE2 3.42Å; F200-F306 VanDerWaalsContact CE1-CE2 3.42Å; F200-F306 HydrophobicContact CG-CE2 4.42Å; F200-F306 HydrophobicContact CZ-CE2 4.06Å; V302-F306 HydrophobicContact CG1-CD2 4.19Å; V302-F306 HydrophobicContact CG1-CE2 3.62Å; V302-F306 HydrophobicContact CG1-CZ 4.34Å; V302-F306 WeakPolarHBondContact O-CD2 3.49Å; V302-F306 WeakPolarHBondContact O-CG 3.3Å; L303-F306 CarbonylContact O-C 3.42Å; L303-F306 WeakPolarHBondContact O-CA 3.39Å; L303-F306 PolarHBondContact O-N 3.1Å; F306-C309 WeakPolarHBondContact O-CB 3.26Å; F306-C309 PolarHBondContact O-N 3.32Å; F306-E310 WeakPolarHBondContact O-CG 3.48Å; F306-E310 PolarHBondContact O-N 3.19Å; F306-E431 HydrophobicContact CE1-CG 4.38Å; F306-V432 HydrophobicContact CD1-CG2 3.72Å; F306-V432 HydrophobicContact CE1-CB 4.19Å; F306-V432 HydrophobicContact CE1-CG2 3.26Å; F306-V432 HydrophobicContact CZ-CB 4.33Å; F306-V432 HydrophobicContact CZ-CG2 3.78Å; F306-Q435 HydrophobicContact CE2-CB 4.37Å; F306-Q435 HydrophobicContact CE2-CG 4.28Å; F306-Q435 HydrophobicContact CZ-CB 4.16Å; F306-Q435 HydrophobicContact CZ-CG 3.86Å
307	E	90.7	Very high	91.4	Very high	103 Å²	103	52.9 Å²	52.9	48%	0.481	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-46.2	169.2	-71.9	172.4	174.1	0	0	110.5	L303 C309 E310 D311	L303-E307 WeakPolarHBondContact O-CG 3.45Å; L303-E307 PolarHBondContact O-N 3Å; E307-C309 VanDerWaalsContact C-N 3.29Å; E307-C309 PolarHBondContact O-N 2.9Å; E307-E310 PolarHBondContact O-N 2.73Å; E307-D311 WeakPolarHBondContact O-CB 3.43Å; E307-D311 PolarHBondContact O-N 3.49Å
308	Q	91.5	Very high	91.3	Very high	111 Å²	111	60.8 Å²	60.8	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-37.9	172.3	-73.4	169.7	9.8	0	0	112.6	V304 F312	V304-Q308 WeakPolarHBondContact O-CB 3.34Å; V304-Q308 WeakPolarHBondContact O-CG 3.38Å; V304-Q308 PolarHBondContact O-N 2.85Å; Q308-F312 WeakPolarHBondContact O-CB 3.08Å; Q308-F312 PolarHBondContact O-N 2.97Å
309	C	91.8	Very high	91.2	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-42.8	175	-68.7	0	0	0	0	112.4	F193 I197 T305 F306 E307 T313 Y424	F193-C309 HydrophobicContact CE1-CB 3.98Å; F193-C309 HydrophobicContact CZ-CB 3.86Å; I197-C309 HydrophobicContact CD1-CB 4.32Å; T305-C309 PolarHBondContact O-N 3.05Å; T305-C309 PolarHBondContact O-SG 2.71Å; F306-C309 WeakPolarHBondContact O-CB 3.26Å; F306-C309 PolarHBondContact O-N 3.32Å; E307-C309 VanDerWaalsContact C-N 3.29Å; E307-C309 PolarHBondContact O-N 2.9Å; C309-T313 WeakPolarHBondContact O-CB 3.41Å; C309-T313 WeakPolarHBondContact O-CG2 3.23Å; C309-T313 PolarHBondContact O-N 3.42Å; C309-T313 PolarHBondContact O-OG1 3.01Å; C309-Y424 WeakPolarHBondContact CA-OH 3.48Å; C309-Y424 HydrophobicContact CB-CE1 4.4Å; C309-Y424 PolarHBondContact SG-OH 3.23Å; C309-Y424 VanDerWaalsContact SG-OH 3.41Å
310	E	90.8	Very high	91.1	Very high	66 Å²	66	60 Å²	60	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-40.6	175.1	-70.9	-161.5	154.9	0	0	111.1	I197 F306 E307 T313 A314	I197-E310 HydrophobicContact CD1-CG 3.86Å; I197-E310 HydrophobicContact CG2-CG 4.39Å; I197-E310 WeakPolarHBondContact CG2-OE1 3.36Å; F306-E310 WeakPolarHBondContact O-CG 3.48Å; F306-E310 PolarHBondContact O-N 3.19Å; E307-E310 PolarHBondContact O-N 2.73Å; E310-T313 WeakPolarHBondContact CA-OG1 3.39Å; E310-T313 PolarHBondContact O-N 3.43Å; E310-T313 PolarHBondContact O-OG1 3.47Å; E310-A314 WeakPolarHBondContact O-CB 3.32Å; E310-A314 PolarHBondContact O-N 2.9Å
311	D	92.3	Very high	91.1	Very high	106 Å²	106	60.4 Å²	60.4	57%	0.567	31%	0.31	S	S	*	.	H	α-helix	trans	-65.1	-45.8	175.7	-91.6	-25.3	0	0	0	112.9	E307 A314 S315	E307-D311 WeakPolarHBondContact O-CB 3.43Å; E307-D311 PolarHBondContact O-N 3.49Å; D311-A314 PolarHBondContact O-N 3Å; D311-S315 WeakPolarHBondContact O-CB 3.42Å; D311-S315 PolarHBondContact O-N 2.98Å
312	F	93.8	Very high	91.1	Very high	50 Å²	50	61 Å²	61	22%	0.219	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-51.6	175.2	175.2	-90.9	0	0	0	110.6	Q308 A314 S315 R316 T421 Y424	Q308-F312 WeakPolarHBondContact O-CB 3.08Å; Q308-F312 PolarHBondContact O-N 2.97Å; F312-A314 PolarHBondContact O-N 3.43Å; F312-S315 WeakPolarHBondContact O-CB 3.48Å; F312-S315 PolarHBondContact O-N 3.48Å; F312-S315 VanDerWaalsContact O-N 3.16Å; F312-S315 PolarHBondContact O-OG 2.98Å; F312-R316 HydrophobicContact CD1-CG 4.43Å; F312-R316 HydrophobicContact CE1-CG 4.15Å; F312-R316 VanDerWaalsContact CE2-NH2 3.33Å; F312-R316 HydrophobicContact CZ-CG 4.49Å; F312-R316 VanDerWaalsContact CZ-NH2 3.26Å; F312-R316 WeakPolarHBondContact O-CG 3.35Å; F312-R316 PolarHBondContact O-N 2.89Å; F312-R316 VanDerWaalsContact O-N 3.15Å; F312-T421 HydrophobicContact CE1-CG2 4.28Å; F312-Y424 HydrophobicContact CB-CE1 3.96Å; F312-Y424 AromaticContact CD1-CD1 3.26Å; F312-Y424 HydrophobicContact CD1-CD1 3.26Å; F312-Y424 HydrophobicContact CD1-CD2 4.43Å; F312-Y424 AromaticContact CD1-CE1 3.35Å; F312-Y424 HydrophobicContact CD1-CE1 3.35Å; F312-Y424 AromaticContact CD1-CG 3.84Å; F312-Y424 HydrophobicContact CD1-CG 3.84Å; F312-Y424 AromaticContact CE1-CD1 3.34Å; F312-Y424 HydrophobicContact CE1-CD1 3.34Å; F312-Y424 HydrophobicContact CE1-CD2 4.25Å; F312-Y424 AromaticContact CE1-CE1 3.94Å; F312-Y424 HydrophobicContact CE1-CE1 3.94Å; F312-Y424 AromaticContact CE1-CG 3.52Å; F312-Y424 HydrophobicContact CE1-CG 3.52Å; F312-Y424 HydrophobicContact CG-CD1 4.06Å; F312-Y424 AromaticContact CG-CE1 3.77Å; F312-Y424 HydrophobicContact CG-CE1 3.77Å; F312-Y424 HydrophobicContact CG-CE2 4.42Å; F312-Y424 HydrophobicContact CG-CG 4.49Å; F312-Y424 AromaticContact CG-CZ 3.96Å; F312-Y424 HydrophobicContact CZ-CD1 4.17Å; F312-Y424 HydrophobicContact CZ-CD2 4.3Å; F312-Y424 AromaticContact CZ-CG 3.9Å; F312-Y424 HydrophobicContact CZ-CG 3.9Å
313	T	93	Very high	91.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68	-35.2	-178.7	50.8	0	0	0	0	112.5	I190 F193 H194 C309 E310 S315 R316 L317 I425	I190-T313 HydrophobicContact CG1-CG2 4.46Å; F193-T313 HydrophobicContact CD1-CG2 4.05Å; F193-T313 HydrophobicContact CE1-CG2 4.02Å; H194-T313 PolarHBondContact NE2-OG1 2.83Å; C309-T313 WeakPolarHBondContact O-CB 3.41Å; C309-T313 WeakPolarHBondContact O-CG2 3.23Å; C309-T313 PolarHBondContact O-N 3.42Å; C309-T313 PolarHBondContact O-OG1 3.01Å; E310-T313 WeakPolarHBondContact CA-OG1 3.39Å; E310-T313 PolarHBondContact O-N 3.43Å; E310-T313 PolarHBondContact O-OG1 3.47Å; T313-S315 VanDerWaalsContact C-N 3.33Å; T313-S315 PolarHBondContact O-N 2.72Å; T313-R316 PolarHBondContact O-N 2.85Å; T313-L317 WeakPolarHBondContact O-CG 3.44Å; T313-L317 PolarHBondContact O-N 2.74Å; T313-I425 HydrophobicContact CG2-CD1 4.09Å; T313-I425 HydrophobicContact CG2-CG1 3.8Å
314	A	91.3	Very high	91.3	Very high	20 Å²	20	66.2 Å²	66.2	17%	0.165	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-32.3	172.3	0	0	0	0	0	112.3	E310 D311 F312 R316 L317 R318	E310-A314 WeakPolarHBondContact O-CB 3.32Å; E310-A314 PolarHBondContact O-N 2.9Å; D311-A314 PolarHBondContact O-N 3Å; F312-A314 PolarHBondContact O-N 3.43Å; A314-R316 VanDerWaalsContact C-N 3.35Å; A314-L317 PolarHBondContact O-N 2.87Å; A314-R318 WeakPolarHBondContact O-CB 3.43Å; A314-R318 VanDerWaalsContact O-CG 3.28Å; A314-R318 WeakPolarHBondContact O-CG 3.42Å; A314-R318 PolarHBondContact O-N 2.84Å; A314-R318 PolarHBondContact O-NE 3.1Å
315	S	92.9	Very high	91.3	Very high	54 Å²	54	64 Å²	64	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-41.2	171	83.9	0	0	0	0	111.6	D311 F312 T313 R318 D319	D311-S315 WeakPolarHBondContact O-CB 3.42Å; D311-S315 PolarHBondContact O-N 2.98Å; F312-S315 WeakPolarHBondContact O-CB 3.48Å; F312-S315 PolarHBondContact O-N 3.48Å; F312-S315 VanDerWaalsContact O-N 3.16Å; F312-S315 PolarHBondContact O-OG 2.98Å; T313-S315 VanDerWaalsContact C-N 3.33Å; T313-S315 PolarHBondContact O-N 2.72Å; S315-R318 PolarHBondContact O-N 3.2Å; S315-D319 PolarHBondContact O-N 3.3Å; S315-D319 VanDerWaalsContact O-N 3.14Å
316	R	91.7	Very high	91.3	Very high	52 Å²	52	70.3 Å²	70.3	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-40.6	176.5	-58.8	-67.8	-177.5	177.4	2.7	112.2	I190 F312 T313 A314 R318 D319 W417 T421	I190-R316 HydrophobicContact CD1-CB 4.42Å; F312-R316 HydrophobicContact CD1-CG 4.43Å; F312-R316 HydrophobicContact CE1-CG 4.15Å; F312-R316 VanDerWaalsContact CE2-NH2 3.33Å; F312-R316 HydrophobicContact CZ-CG 4.49Å; F312-R316 VanDerWaalsContact CZ-NH2 3.26Å; F312-R316 WeakPolarHBondContact O-CG 3.35Å; F312-R316 PolarHBondContact O-N 2.89Å; F312-R316 VanDerWaalsContact O-N 3.15Å; T313-R316 PolarHBondContact O-N 2.85Å; A314-R316 VanDerWaalsContact C-N 3.35Å; R316-R318 VanDerWaalsContact C-N 3.31Å; R316-R318 PolarHBondContact O-N 3.29Å; R316-D319 PolarHBondContact O-N 3.14Å; R316-W417 HydrophobicContact CB-CH2 4.29Å; R316-W417 HydrophobicContact CB-CZ2 4.03Å; R316-W417 HydrophobicContact CG-CZ2 4.45Å; R316-T421 HydrophobicContact CB-CG2 4.24Å; R316-T421 WeakPolarHBondContact CD-OG1 3.11Å; R316-T421 HydrophobicContact CG-CG2 3.8Å; R316-T421 PolarHBondContact NE-OG1 3.44Å
317	L	89.7	Confident	91.2	Very high	58 Å²	58	72.2 Å²	72.2	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-36.4	174	-73	176.7	0	0	0	112.8	D187 I190 T313 A314	D187-L317 VanDerWaalsContact OD1-CD2 3.23Å; D187-L317 WeakPolarHBondContact OD1-CD2 3.42Å; I190-L317 HydrophobicContact CB-CD2 4.34Å; I190-L317 HydrophobicContact CD1-CD2 3.82Å; I190-L317 HydrophobicContact CD1-CG 3.96Å; I190-L317 HydrophobicContact CG2-CD1 3.71Å; I190-L317 HydrophobicContact CG2-CD2 4.22Å; I190-L317 HydrophobicContact CG2-CG 3.97Å; T313-L317 WeakPolarHBondContact O-CG 3.44Å; T313-L317 PolarHBondContact O-N 2.74Å; A314-L317 PolarHBondContact O-N 2.87Å
318	R	91.1	Very high	91.2	Very high	165 Å²	165	67.7 Å²	67.7	62%	0.623	33%	0.333	S	S	*	.	H	α-helix	trans	-79	-12.7	178.4	-71.4	-177.5	-64.3	-111.7	2.8	113.9	A314 S315 R316 V320	A314-R318 WeakPolarHBondContact O-CB 3.43Å; A314-R318 VanDerWaalsContact O-CG 3.28Å; A314-R318 WeakPolarHBondContact O-CG 3.42Å; A314-R318 PolarHBondContact O-N 2.84Å; A314-R318 PolarHBondContact O-NE 3.1Å; S315-R318 PolarHBondContact O-N 3.2Å; R316-R318 VanDerWaalsContact C-N 3.31Å; R316-R318 PolarHBondContact O-N 3.29Å; R318-V320 PolarHBondContact O-N 3.08Å
319	D	91.8	Very high	91.1	Very high	46 Å²	46	65.7 Å²	65.7	25%	0.246	33%	0.328	C	S	.	.			trans	-78.7	71.5	179.5	-169.8	-7.2	0	0	0	111.8	S315 R316 Q321 M322 K323 W417	S315-D319 PolarHBondContact O-N 3.3Å; S315-D319 VanDerWaalsContact O-N 3.14Å; R316-D319 PolarHBondContact O-N 3.14Å; D319-Q321 PolarHBondContact O-N 3.48Å; D319-Q321 PolarHBondContact OD1-N 3.08Å; D319-M322 PolarHBondContact O-N 3Å; D319-M322 PolarHBondContact OD1-N 3.43Å; D319-M322 WeakPolarHBondContact OD2-CG 3.33Å; D319-K323 WeakPolarHBondContact O-CG 3.37Å; D319-K323 PolarHBondContact O-N 2.59Å; D319-W417 HydrophobicContact CB-CZ2 3.92Å; D319-W417 PolarHBondContact OD2-NE1 3.2Å
320	V	91.1	Very high	91.1	Very high	68 Å²	68	71.3 Å²	71.3	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-25.2	175.8	-173.9	0	0	0	0	111.4	R318 E324	R318-V320 PolarHBondContact O-N 3.08Å; V320-E324 HydrophobicContact CG1-CB 4.26Å; V320-E324 HydrophobicContact CG1-CG 3.93Å; V320-E324 WeakPolarHBondContact O-CB 3.38Å; V320-E324 PolarHBondContact O-N 3.3Å
321	Q	89.9	Confident	91.1	Very high	128 Å²	128	70.1 Å²	70.1	60%	0.598	35%	0.346	S	S	*	.	H	α-helix	trans	-71.5	-32.9	179.1	-62.2	-166	13.2	0	0	112.7	D319 E324 R414	D319-Q321 PolarHBondContact O-N 3.48Å; D319-Q321 PolarHBondContact OD1-N 3.08Å; Q321-E324 VanDerWaalsContact O-O 3.13Å; Q321-R414 PolarHBondContact O-NH2 3.27Å
322	M	90	Very high	91.1	Very high	63 Å²	63	65.8 Å²	65.8	31%	0.31	32%	0.322	S	S	.	.	H	α-helix	trans	-78.9	-46	171.1	-70	-66.1	-176.2	0	0	111.3	W179 D319 E324 R414 W417	W179-M322 VanDerWaalsContact CZ2-O 3.26Å; W179-M322 WeakPolarHBondContact CZ2-O 3.36Å; D319-M322 PolarHBondContact O-N 3Å; D319-M322 PolarHBondContact OD1-N 3.43Å; D319-M322 WeakPolarHBondContact OD2-CG 3.33Å; M322-E324 PolarHBondContact O-N 2.92Å; M322-R414 WeakPolarHBondContact O-CD 3.15Å; M322-R414 PolarHBondContact O-NE 2.96Å; M322-R414 HydrophobicContact SD-CG 4.15Å; M322-W417 HydrophobicContact CB-CD2 3.88Å; M322-W417 HydrophobicContact CB-CE3 4.16Å; M322-W417 HydrophobicContact CB-CG 4.41Å; M322-W417 HydrophobicContact CB-CH2 4.12Å; M322-W417 HydrophobicContact CB-CZ2 3.8Å; M322-W417 HydrophobicContact CB-CZ3 4.27Å; M322-W417 HydrophobicContact CG-CD2 4.11Å; M322-W417 HydrophobicContact CG-CG 4.16Å; M322-W417 HydrophobicContact CG-CZ2 4.37Å; M322-W417 HydrophobicContact SD-CG 4.43Å
323	K	91.9	Very high	91	Very high	38 Å²	38	66.6 Å²	66.6	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-42.8	-178.9	-67.7	179.5	60.2	164.2	0	113.4	W179 V183 D187 D319 W417	W179-K323 PolarHBondContact NE1-O 3.01Å; V183-K323 HydrophobicContact CG1-CB 4.2Å; V183-K323 HydrophobicContact CG1-CG 4.2Å; D187-K323 IonicContact OD1-NZ 2.72Å; D187-K323 PolarHBondContact OD1-NZ 3.23Å; D187-K323 IonicContact OD2-NZ 3.66Å; D187-K323 PolarHBondContact OD2-NZ 3.41Å; D319-K323 WeakPolarHBondContact O-CG 3.37Å; D319-K323 PolarHBondContact O-N 2.59Å; K323-W417 HydrophobicContact CG-CH2 4.16Å
324	E	91	Very high	90.9	Very high	120 Å²	120	71.1 Å²	71.1	56%	0.561	35%	0.352	S	S	*	.	S	Bend	trans	-107.7	144.6	-177.4	-62.8	-178.6	-174.8	0	0	113.2	V320 Q321 M322	V320-E324 HydrophobicContact CG1-CB 4.26Å; V320-E324 HydrophobicContact CG1-CG 3.93Å; V320-E324 WeakPolarHBondContact O-CB 3.38Å; V320-E324 PolarHBondContact O-N 3.3Å; Q321-E324 VanDerWaalsContact O-O 3.13Å; M322-E324 PolarHBondContact O-N 2.92Å
325	I	91.4	Very high	90.8	Very high	19 Å²	19	70.7 Å²	70.7	10%	0.097	35%	0.347	C	S	.	.			trans	-101.2	99.9	173.8	-55.1	178.7	0	0	0	108.4	Y176 G327 I328 L407 I411	Y176-I325 HydrophobicContact CD2-CD1 4.32Å; I325-G327 PolarHBondContact O-N 2.98Å; I325-I328 HydrophobicContact CB-CB 4.14Å; I325-I328 HydrophobicContact CB-CG2 4.49Å; I325-I328 HydrophobicContact CG2-CB 4.07Å; I325-I328 HydrophobicContact CG2-CD1 4.36Å; I325-I328 HydrophobicContact CG2-CG1 4.49Å; I325-I328 VanDerWaalsContact O-CB 3.31Å; I325-I328 WeakPolarHBondContact O-CB 3.19Å; I325-I328 WeakPolarHBondContact O-CG2 3.25Å; I325-I328 PolarHBondContact O-N 3.08Å; I325-L407 HydrophobicContact CD1-CD1 3.85Å; I325-I411 HydrophobicContact CD1-CD1 3.61Å
326	R	88.8	Confident	90.7	Very high	192 Å²	192	71.8 Å²	71.8	73%	0.725	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	138.4	179.3	-65.8	-176	176.6	-167.9	-2.4	111.2	I328	R326-I328 PolarHBondContact O-N 3.27Å
327	G	89	Confident	90.8	Very high	46 Å²	46	73.7 Å²	73.7	47%	0.474	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	0.2	178.7	0	0	0	0	0	115.6	I325 T329 Q330 R331	I325-G327 PolarHBondContact O-N 2.98Å; G327-T329 VanDerWaalsContact C-N 3.31Å; G327-T329 PolarHBondContact O-N 2.95Å; G327-Q330 PolarHBondContact O-N 3.41Å; G327-Q330 VanDerWaalsContact O-N 3.15Å; G327-R331 PolarHBondContact O-N 3Å
328	I	91	Very high	90.9	Very high	8 Å²	8	74.8 Å²	74.8	4%	0.041	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-39.2	-176.7	-166.4	59.2	0	0	0	112.9	Y176 I325 R326 R331 F332 L407	Y176-I328 HydrophobicContact CD2-CG1 3.88Å; Y176-I328 HydrophobicContact CE2-CB 4.48Å; Y176-I328 HydrophobicContact CE2-CG1 4.05Å; Y176-I328 HydrophobicContact CE2-CG2 3.84Å; Y176-I328 HydrophobicContact CG-CG1 4.2Å; I325-I328 HydrophobicContact CB-CB 4.14Å; I325-I328 HydrophobicContact CB-CG2 4.49Å; I325-I328 HydrophobicContact CG2-CB 4.07Å; I325-I328 HydrophobicContact CG2-CD1 4.36Å; I325-I328 HydrophobicContact CG2-CG1 4.49Å; I325-I328 VanDerWaalsContact O-CB 3.31Å; I325-I328 WeakPolarHBondContact O-CB 3.19Å; I325-I328 WeakPolarHBondContact O-CG2 3.25Å; I325-I328 PolarHBondContact O-N 3.08Å; R326-I328 PolarHBondContact O-N 3.27Å; I328-R331 WeakPolarHBondContact O-CB 3.45Å; I328-R331 PolarHBondContact O-N 3.47Å; I328-F332 HydrophobicContact CD1-CD2 4.4Å; I328-F332 HydrophobicContact CD1-CE2 3.9Å; I328-F332 HydrophobicContact CD1-CZ 4.13Å; I328-F332 HydrophobicContact CG1-CD2 3.96Å; I328-F332 HydrophobicContact CG1-CE2 3.52Å; I328-F332 HydrophobicContact CG1-CZ 4.22Å; I328-F332 VanDerWaalsContact O-CD2 3.31Å; I328-F332 WeakPolarHBondContact O-CD2 3.36Å; I328-F332 PolarHBondContact O-N 3.05Å; I328-L407 HydrophobicContact CD1-CD1 4.07Å
329	T	89.6	Confident	90.9	Very high	69 Å²	69	67.9 Å²	67.9	42%	0.423	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-48.6	175.2	-44.9	0	0	0	0	111.5	G327 R331 F332 T333	G327-T329 VanDerWaalsContact C-N 3.31Å; G327-T329 PolarHBondContact O-N 2.95Å; T329-R331 VanDerWaalsContact C-N 3.28Å; T329-R331 PolarHBondContact O-N 2.87Å; T329-F332 PolarHBondContact O-N 3.49Å; T329-F332 VanDerWaalsContact O-N 3.13Å; T329-T333 PolarHBondContact O-N 2.87Å; T329-T333 PolarHBondContact O-OG1 3.47Å
330	Q	91.1	Very high	90.8	Very high	129 Å²	129	70.7 Å²	70.7	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-60.5	-39.4	177.9	-172.7	-173.1	10.7	0	0	111.3	G327 T333 Q334	G327-Q330 PolarHBondContact O-N 3.41Å; G327-Q330 VanDerWaalsContact O-N 3.15Å; Q330-T333 PolarHBondContact O-N 2.87Å; Q330-Q334 WeakPolarHBondContact O-CG 3.2Å; Q330-Q334 PolarHBondContact O-N 2.97Å
331	R	90.3	Very high	91	Very high	42 Å²	42	72 Å²	72	16%	0.158	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-46.2	173.5	169.7	175.8	162	155.4	-3.1	111.7	G327 I328 T329 T333 Q334 L335 A403 E406	G327-R331 PolarHBondContact O-N 3Å; I328-R331 WeakPolarHBondContact O-CB 3.45Å; I328-R331 PolarHBondContact O-N 3.47Å; T329-R331 VanDerWaalsContact C-N 3.28Å; T329-R331 PolarHBondContact O-N 2.87Å; R331-T333 PolarHBondContact O-N 2.87Å; R331-Q334 PolarHBondContact O-N 2.72Å; R331-L335 HydrophobicContact CG-CD1 4.14Å; R331-L335 WeakPolarHBondContact O-CG 3.29Å; R331-L335 PolarHBondContact O-N 2.94Å; R331-A403 PolarHBondContact NH1-O 3.09Å; R331-A403 PolarHBondContact NH2-O 2.77Å; R331-E406 IonicContact NH1-OE2 3.37Å
332	F	92.7	Very high	91	Very high	14 Å²	14	66.1 Å²	66.1	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-38.6	174.6	-73.6	-51.1	0	0	0	112.5	Q172 Y176 I328 T329 Q334 L335 N336	Q172-F332 HydrophobicContact CB-CE1 4.1Å; Y176-F332 AromaticContact CD1-CE2 3.84Å; Y176-F332 HydrophobicContact CD1-CE2 3.84Å; Y176-F332 HydrophobicContact CD1-CZ 4.46Å; Y176-F332 HydrophobicContact CG-CE2 4.01Å; Y176-F332 HydrophobicContact CG-CZ 4.35Å; I328-F332 HydrophobicContact CD1-CD2 4.4Å; I328-F332 HydrophobicContact CD1-CE2 3.9Å; I328-F332 HydrophobicContact CD1-CZ 4.13Å; I328-F332 HydrophobicContact CG1-CD2 3.96Å; I328-F332 HydrophobicContact CG1-CE2 3.52Å; I328-F332 HydrophobicContact CG1-CZ 4.22Å; I328-F332 VanDerWaalsContact O-CD2 3.31Å; I328-F332 WeakPolarHBondContact O-CD2 3.36Å; I328-F332 PolarHBondContact O-N 3.05Å; T329-F332 PolarHBondContact O-N 3.49Å; T329-F332 VanDerWaalsContact O-N 3.13Å; F332-Q334 VanDerWaalsContact C-N 3.34Å; F332-Q334 PolarHBondContact O-N 3.4Å; F332-L335 HydrophobicContact CD1-CD1 4.1Å; F332-L335 PolarHBondContact O-N 2.83Å; F332-N336 WeakPolarHBondContact O-CB 3.39Å; F332-N336 VanDerWaalsContact O-CG 3.26Å; F332-N336 PolarHBondContact O-N 2.92Å
333	T	91.1	Very high	91.1	Very high	67 Å²	67	65.5 Å²	65.5	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-44.3	172.1	-46.8	0	0	0	0	111.5	T329 Q330 R331 N336 N337	T329-T333 PolarHBondContact O-N 2.87Å; T329-T333 PolarHBondContact O-OG1 3.47Å; Q330-T333 PolarHBondContact O-N 2.87Å; R331-T333 PolarHBondContact O-N 2.87Å; T333-N336 PolarHBondContact O-N 3.16Å; T333-N337 PolarHBondContact O-N 3.06Å; T333-N337 PolarHBondContact O-ND2 3.48Å; T333-N337 PolarHBondContact O-OD1 2.94Å
334	Q	91.4	Very high	91.2	Very high	95 Å²	95	71.8 Å²	71.8	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-46.4	176.4	-71.3	176.2	29.3	0	0	112	Q330 R331 F332 N336 N337 Y338	Q330-Q334 WeakPolarHBondContact O-CG 3.2Å; Q330-Q334 PolarHBondContact O-N 2.97Å; R331-Q334 PolarHBondContact O-N 2.72Å; F332-Q334 VanDerWaalsContact C-N 3.34Å; F332-Q334 PolarHBondContact O-N 3.4Å; Q334-N336 VanDerWaalsContact C-N 3.33Å; Q334-N336 PolarHBondContact O-N 3.2Å; Q334-N337 WeakPolarHBondContact O-CB 3.35Å; Q334-N337 PolarHBondContact O-N 3.24Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.48Å; Q334-Y338 PolarHBondContact O-N 3.36Å
335	L	90.4	Very high	91.3	Very high	11 Å²	11	66.8 Å²	66.8	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-44.9	176.3	-70.4	170.6	0	0	0	111.3	V169 R331 F332 N337 Y338 V339 F400	V169-L335 HydrophobicContact CG2-CB 4.17Å; R331-L335 HydrophobicContact CG-CD1 4.14Å; R331-L335 WeakPolarHBondContact O-CG 3.29Å; R331-L335 PolarHBondContact O-N 2.94Å; F332-L335 HydrophobicContact CD1-CD1 4.1Å; F332-L335 PolarHBondContact O-N 2.83Å; L335-N337 VanDerWaalsContact C-N 3.35Å; L335-N337 PolarHBondContact O-N 3.29Å; L335-Y338 WeakPolarHBondContact O-CB 3.38Å; L335-Y338 PolarHBondContact O-N 3.38Å; L335-Y338 VanDerWaalsContact O-N 3.17Å; L335-V339 WeakPolarHBondContact O-CG2 3.26Å; L335-V339 PolarHBondContact O-N 3.33Å; L335-F400 HydrophobicContact CD2-CD1 3.56Å; L335-F400 HydrophobicContact CD2-CE1 3.42Å; L335-F400 VanDerWaalsContact CD2-CE1 3.42Å; L335-F400 HydrophobicContact CD2-CG 4.18Å; L335-F400 HydrophobicContact CD2-CZ 3.93Å
336	N	90.4	Very high	91.4	Very high	77 Å²	77	68.5 Å²	68.5	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-39	176.4	-72	-11.7	0	0	0	112.3	F332 T333 Q334 Y338 V339 Q340	F332-N336 WeakPolarHBondContact O-CB 3.39Å; F332-N336 VanDerWaalsContact O-CG 3.26Å; F332-N336 PolarHBondContact O-N 2.92Å; T333-N336 PolarHBondContact O-N 3.16Å; Q334-N336 VanDerWaalsContact C-N 3.33Å; Q334-N336 PolarHBondContact O-N 3.2Å; N336-Y338 PolarHBondContact O-N 3.44Å; N336-V339 PolarHBondContact O-N 2.87Å; N336-Q340 WeakPolarHBondContact O-CG 3.17Å; N336-Q340 PolarHBondContact O-N 3.24Å
337	N	92.6	Very high	91.6	Very high	92 Å²	92	64 Å²	64	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174	-67.6	-18.1	0	0	0	112.1	T333 Q334 L335 K341	T333-N337 PolarHBondContact O-N 3.06Å; T333-N337 PolarHBondContact O-ND2 3.48Å; T333-N337 PolarHBondContact O-OD1 2.94Å; Q334-N337 WeakPolarHBondContact O-CB 3.35Å; Q334-N337 PolarHBondContact O-N 3.24Å; L335-N337 VanDerWaalsContact C-N 3.35Å; L335-N337 PolarHBondContact O-N 3.29Å; N337-K341 PolarHBondContact O-N 3.38Å; N337-K341 VanDerWaalsContact O-N 3.17Å
338	Y	92.4	Very high	91.9	Very high	81 Å²	81	65 Å²	65	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-43.2	173.1	-75.9	-66.9	0	0	0	111.8	Q334 L335 N336 K341 M342 W392 V396 F400	Q334-Y338 WeakPolarHBondContact O-CD2 3.48Å; Q334-Y338 PolarHBondContact O-N 3.36Å; L335-Y338 WeakPolarHBondContact O-CB 3.38Å; L335-Y338 PolarHBondContact O-N 3.38Å; L335-Y338 VanDerWaalsContact O-N 3.17Å; N336-Y338 PolarHBondContact O-N 3.44Å; Y338-K341 PolarHBondContact O-N 3.41Å; Y338-M342 WeakPolarHBondContact O-CB 3.36Å; Y338-M342 PolarHBondContact O-N 3.47Å; Y338-W392 HydrophobicContact CD1-CH2 4.25Å; Y338-W392 AromaticContact CD1-CZ2 3.95Å; Y338-W392 HydrophobicContact CD1-CZ2 3.95Å; Y338-W392 HydrophobicContact CE1-CZ2 4.38Å; Y338-V396 HydrophobicContact CD1-CG1 4.37Å; Y338-V396 HydrophobicContact CD1-CG2 3.97Å; Y338-V396 HydrophobicContact CE1-CG2 4.41Å; Y338-V396 HydrophobicContact CG-CG1 4.41Å; Y338-F400 HydrophobicContact CD2-CE1 4.22Å; Y338-F400 HydrophobicContact CG-CE1 4.15Å
339	V	90.2	Very high	92	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-48.5	174.8	167.8	0	0	0	0	111.2	L166 V169 L335 N336 K341 M342 S343 F400	L166-V339 HydrophobicContact CD2-CG1 3.46Å; L166-V339 VanDerWaalsContact CD2-CG1 3.46Å; V169-V339 HydrophobicContact CG2-CG2 3.88Å; L335-V339 WeakPolarHBondContact O-CG2 3.26Å; L335-V339 PolarHBondContact O-N 3.33Å; N336-V339 PolarHBondContact O-N 2.87Å; V339-K341 VanDerWaalsContact C-N 3.28Å; V339-K341 PolarHBondContact O-N 2.87Å; V339-M342 CarbonylContact O-C 3.54Å; V339-M342 WeakPolarHBondContact O-CA 3.38Å; V339-M342 VanDerWaalsContact O-CB 3.27Å; V339-M342 WeakPolarHBondContact O-CB 3.31Å; V339-M342 PolarHBondContact O-N 3.26Å; V339-S343 PolarHBondContact O-N 3.38Å; V339-S343 PolarHBondContact O-OG 2.97Å; V339-F400 HydrophobicContact CG2-CE2 3.78Å; V339-F400 HydrophobicContact CG2-CZ 3.99Å
340	Q	91.7	Very high	92.3	Very high	106 Å²	106	62.6 Å²	62.6	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-40.9	177.6	-74.3	179.4	9.9	0	0	112.1	N336 R344	N336-Q340 WeakPolarHBondContact O-CG 3.17Å; N336-Q340 PolarHBondContact O-N 3.24Å; Q340-R344 WeakPolarHBondContact O-CG 3.32Å; Q340-R344 PolarHBondContact O-N 3.09Å; Q340-R344 VanDerWaalsContact O-N 3.14Å
341	K	93.6	Very high	92.5	Very high	96 Å²	96	61.4 Å²	61.4	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-70	-38.3	174.6	-177.9	173.5	168.3	-169.1	0	112.2	N337 Y338 V339 S343 R344 L345 W392	N337-K341 PolarHBondContact O-N 3.38Å; N337-K341 VanDerWaalsContact O-N 3.17Å; Y338-K341 PolarHBondContact O-N 3.41Å; V339-K341 VanDerWaalsContact C-N 3.28Å; V339-K341 PolarHBondContact O-N 2.87Å; K341-S343 VanDerWaalsContact C-N 3.34Å; K341-S343 PolarHBondContact O-N 3.3Å; K341-R344 PolarHBondContact O-N 2.87Å; K341-L345 WeakPolarHBondContact O-CG 3.09Å; K341-L345 PolarHBondContact O-N 3.31Å; K341-W392 HydrophobicContact CB-CH2 3.82Å; K341-W392 HydrophobicContact CD-CH2 3.55Å; K341-W392 HydrophobicContact CD-CZ2 3.47Å; K341-W392 VanDerWaalsContact CD-CZ2 3.47Å; K341-W392 HydrophobicContact CD-CZ3 4.31Å; K341-W392 HydrophobicContact CG-CH2 3.55Å; K341-W392 HydrophobicContact CG-CZ2 4.04Å; K341-W392 HydrophobicContact CG-CZ3 4.03Å
342	M	90.9	Very high	92.7	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-44.8	173.9	-165.4	80.5	165.4	0	0	111.4	L161 A162 C165 Y338 V339 L345 K346 W392 M393	L161-M342 VanDerWaalsContact C-CE 3.49Å; L161-M342 HydrophobicContact CB-CE 3.74Å; L161-M342 WeakPolarHBondContact O-CE 3.29Å; A162-M342 HydrophobicContact CB-CE 4.43Å; A162-M342 HydrophobicContact CB-CG 4.01Å; C165-M342 HydrophobicContact CB-CE 4.19Å; C165-M342 VanDerWaalsContact SG-CE 3.53Å; Y338-M342 WeakPolarHBondContact O-CB 3.36Å; Y338-M342 PolarHBondContact O-N 3.47Å; V339-M342 CarbonylContact O-C 3.54Å; V339-M342 WeakPolarHBondContact O-CA 3.38Å; V339-M342 VanDerWaalsContact O-CB 3.27Å; V339-M342 WeakPolarHBondContact O-CB 3.31Å; V339-M342 PolarHBondContact O-N 3.26Å; M342-L345 PolarHBondContact O-N 2.89Å; M342-K346 PolarHBondContact O-N 3.48Å; M342-W392 HydrophobicContact SD-CZ3 4.13Å; M342-M393 HydrophobicContact CE-CB 3.61Å; M342-M393 HydrophobicContact CE-CE 3.73Å; M342-M393 HydrophobicContact CE-CG 4.02Å; M342-M393 HydrophobicContact CG-CE 4.19Å; M342-M393 HydrophobicContact SD-CB 3.7Å; M342-M393 HydrophobicContact SD-CE 3.87Å; M342-M393 HydrophobicContact SD-CG 3.58Å; M342-M393 VanDerWaalsContact SD-CG 3.58Å
343	S	91.6	Very high	92.8	Very high	51 Å²	51	60.8 Å²	60.8	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-37	176.9	-57.4	0	0	0	0	112.6	V339 K341 K346 V347	V339-S343 PolarHBondContact O-N 3.38Å; V339-S343 PolarHBondContact O-OG 2.97Å; K341-S343 VanDerWaalsContact C-N 3.34Å; K341-S343 PolarHBondContact O-N 3.3Å; S343-K346 WeakPolarHBondContact O-CB 3.43Å; S343-K346 PolarHBondContact O-N 3.28Å; S343-V347 PolarHBondContact O-N 3.19Å
344	R	93.8	Very high	93	Very high	169 Å²	169	63.4 Å²	63.4	64%	0.638	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-49	171.9	-70.1	174	-166.8	179.2	5.8	111.1	Q340 K341 K346 V347 D348	Q340-R344 WeakPolarHBondContact O-CG 3.32Å; Q340-R344 PolarHBondContact O-N 3.09Å; Q340-R344 VanDerWaalsContact O-N 3.14Å; K341-R344 PolarHBondContact O-N 2.87Å; R344-K346 VanDerWaalsContact C-N 3.29Å; R344-K346 PolarHBondContact O-N 2.84Å; R344-V347 WeakPolarHBondContact O-CB 3.42Å; R344-V347 PolarHBondContact O-N 3.23Å; R344-D348 PolarHBondContact O-N 2.87Å
345	L	93.5	Very high	93.1	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-33.1	177	-67.3	-178.2	0	0	0	112.8	K341 M342 V347 D348 Q349 N389 W392 M393	K341-L345 WeakPolarHBondContact O-CG 3.09Å; K341-L345 PolarHBondContact O-N 3.31Å; M342-L345 PolarHBondContact O-N 2.89Å; L345-V347 VanDerWaalsContact C-N 3.28Å; L345-V347 PolarHBondContact O-N 2.97Å; L345-D348 PolarHBondContact O-N 3.48Å; L345-Q349 WeakPolarHBondContact O-CB 3.4Å; L345-Q349 WeakPolarHBondContact O-CG 3.2Å; L345-Q349 PolarHBondContact O-N 3.05Å; L345-N389 HydrophobicContact CD2-CB 4.37Å; L345-W392 HydrophobicContact CD1-CD2 4.02Å; L345-W392 HydrophobicContact CD1-CE3 3.25Å; L345-W392 HydrophobicContact CD1-CZ3 3.63Å; L345-M393 HydrophobicContact CB-CG 4.44Å; L345-M393 HydrophobicContact CB-SD 4.03Å; L345-M393 HydrophobicContact CD1-CG 4.15Å
346	K	92.7	Very high	93.2	Very high	55 Å²	55	59.2 Å²	59.2	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-42.2	171.8	-172.6	-177.7	-174.6	167.4	0	111.1	Q159 A162 D163 M342 S343 R344 S350	Q159-K346 HydrophobicContact CG-CG 4.26Å; A162-K346 HydrophobicContact CB-CB 4.31Å; A162-K346 HydrophobicContact CB-CD 3.76Å; A162-K346 HydrophobicContact CB-CG 4.27Å; D163-K346 IonicContact OD1-NZ 2.63Å; D163-K346 PolarHBondContact OD1-NZ 3.07Å; D163-K346 IonicContact OD2-NZ 3.48Å; D163-K346 PolarHBondContact OD2-NZ 2.91Å; M342-K346 PolarHBondContact O-N 3.48Å; S343-K346 WeakPolarHBondContact O-CB 3.43Å; S343-K346 PolarHBondContact O-N 3.28Å; R344-K346 VanDerWaalsContact C-N 3.29Å; R344-K346 PolarHBondContact O-N 2.84Å; K346-S350 PolarHBondContact O-N 2.93Å
347	V	94.4	Very high	93.3	Very high	98 Å²	98	58.1 Å²	58.1	59%	0.594	29%	0.288	S	S	*	.	H	α-helix	trans	-71.5	-42.8	175.9	177.1	0	0	0	0	111.6	S343 R344 L345 Q349 S350 H351	S343-V347 PolarHBondContact O-N 3.19Å; R344-V347 WeakPolarHBondContact O-CB 3.42Å; R344-V347 PolarHBondContact O-N 3.23Å; L345-V347 VanDerWaalsContact C-N 3.28Å; L345-V347 PolarHBondContact O-N 2.97Å; V347-Q349 VanDerWaalsContact C-N 3.29Å; V347-Q349 PolarHBondContact O-N 2.93Å; V347-S350 PolarHBondContact O-N 3.14Å; V347-H351 PolarHBondContact O-N 3.48Å
348	D	94.3	Very high	93.2	Very high	67 Å²	67	58.7 Å²	58.7	36%	0.358	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-39.6	177.7	-62.2	-31.1	0	0	0	111.4	R344 L345 H351 F352	R344-D348 PolarHBondContact O-N 2.87Å; L345-D348 PolarHBondContact O-N 3.48Å; D348-H351 PolarHBondContact O-N 3.1Å; D348-F352 HydrophobicContact CB-CD2 4.39Å; D348-F352 HydrophobicContact CB-CE2 4.02Å; D348-F352 WeakPolarHBondContact O-CD2 3.35Å; D348-F352 VanDerWaalsContact O-CG 3.29Å; D348-F352 WeakPolarHBondContact O-CG 3.23Å; D348-F352 PolarHBondContact O-N 2.74Å
349	Q	93.7	Very high	93.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-45.9	176.4	-68.4	-80.5	31.1	0	0	112	S158 L345 V347 F352 A353 M386 M393	S158-Q349 WeakPolarHBondContact OG-CB 3.47Å; L345-Q349 WeakPolarHBondContact O-CB 3.4Å; L345-Q349 WeakPolarHBondContact O-CG 3.2Å; L345-Q349 PolarHBondContact O-N 3.05Å; V347-Q349 VanDerWaalsContact C-N 3.29Å; V347-Q349 PolarHBondContact O-N 2.93Å; Q349-F352 PolarHBondContact O-N 3.04Å; Q349-A353 PolarHBondContact O-N 3.16Å; Q349-M386 PolarHBondContact NE2-O 3.06Å; Q349-M386 WeakPolarHBondContact O-CE 3.23Å; Q349-M386 VanDerWaalsContact OE1-CA 3.24Å; Q349-M386 VanDerWaalsContact OE1-CG 3.26Å; Q349-M393 HydrophobicContact CG-SD 4.45Å
350	S	94.9	Very high	93.1	Very high	27 Å²	27	58.1 Å²	58.1	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-45.7	174.2	-63	0	0	0	0	111.8	E155 K346 V347 F352 A353 E354	E155-S350 VanDerWaalsContact OE1-CB 3.29Å; E155-S350 WeakPolarHBondContact OE1-CB 3.06Å; E155-S350 PolarHBondContact OE1-OG 2.82Å; K346-S350 PolarHBondContact O-N 2.93Å; V347-S350 PolarHBondContact O-N 3.14Å; S350-F352 VanDerWaalsContact C-N 3.34Å; S350-F352 PolarHBondContact O-N 3.19Å; S350-A353 PolarHBondContact O-N 3.43Å; S350-E354 WeakPolarHBondContact O-CG 3.43Å; S350-E354 PolarHBondContact O-N 3.49Å
351	H	95.6	Very high	93	Very high	104 Å²	104	59.8 Å²	59.8	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-36.5	177.5	177.7	-95.3	0	0	0	112.9	V347 D348 C355	V347-H351 PolarHBondContact O-N 3.48Å; D348-H351 PolarHBondContact O-N 3.1Å; H351-C355 VanDerWaalsContact CE1-SG 3.59Å; H351-C355 WeakPolarHBondContact O-CB 3.28Å; H351-C355 PolarHBondContact O-N 2.94Å; H351-C355 PolarHBondContact O-SG 3.02Å
352	F	95.1	Very high	92.6	Very high	38 Å²	38	60 Å²	60	17%	0.167	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-38	173.6	-68.7	-47.7	0	0	0	112.4	D348 Q349 S350 C355 V356 F382 E385 M386	D348-F352 HydrophobicContact CB-CD2 4.39Å; D348-F352 HydrophobicContact CB-CE2 4.02Å; D348-F352 WeakPolarHBondContact O-CD2 3.35Å; D348-F352 VanDerWaalsContact O-CG 3.29Å; D348-F352 WeakPolarHBondContact O-CG 3.23Å; D348-F352 PolarHBondContact O-N 2.74Å; Q349-F352 PolarHBondContact O-N 3.04Å; S350-F352 VanDerWaalsContact C-N 3.34Å; S350-F352 PolarHBondContact O-N 3.19Å; F352-C355 WeakPolarHBondContact O-CB 3.41Å; F352-C355 PolarHBondContact O-N 3.5Å; F352-V356 WeakPolarHBondContact O-CG2 3.44Å; F352-V356 PolarHBondContact O-N 2.95Å; F352-F382 AromaticContact CD1-CD1 3.52Å; F352-F382 HydrophobicContact CD1-CD1 3.52Å; F352-F382 HydrophobicContact CD1-CE1 4.11Å; F352-F382 HydrophobicContact CD1-CG 4.4Å; F352-F382 AromaticContact CE1-CD1 3.94Å; F352-F382 HydrophobicContact CE1-CD1 3.94Å; F352-F382 HydrophobicContact CE1-CE1 4.31Å; F352-E385 HydrophobicContact CE2-CG 4.24Å; F352-E385 HydrophobicContact CZ-CG 4.13Å; F352-M386 HydrophobicContact CB-CE 4.3Å; F352-M386 HydrophobicContact CB-CG 3.38Å; F352-M386 HydrophobicContact CB-SD 3.61Å; F352-M386 HydrophobicContact CD2-CG 3.9Å; F352-M386 HydrophobicContact CG-CG 3.94Å
353	A	94.2	Very high	92.4	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-45.5	174.1	0	0	0	0	0	111.8	A151 E155 Q349 S350 C355 V356 C357 M386	A151-A353 HydrophobicContact CB-CB 4.09Å; E155-A353 HydrophobicContact CB-CB 4.3Å; E155-A353 WeakPolarHBondContact OE2-CB 3.28Å; Q349-A353 PolarHBondContact O-N 3.16Å; S350-A353 PolarHBondContact O-N 3.43Å; A353-C355 VanDerWaalsContact C-N 3.33Å; A353-C355 PolarHBondContact O-N 3.25Å; A353-V356 PolarHBondContact O-N 3.31Å; A353-C357 PolarHBondContact O-N 3.08Å; A353-C357 PolarHBondContact O-SG 2.97Å; A353-M386 HydrophobicContact CB-CE 4.06Å
354	E	94.9	Very high	91.8	Very high	122 Å²	122	63 Å²	63	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-56.1	-46.3	171.1	-72.6	177.4	-171.4	0	0	111.5	S350 V356 C357 M358	S350-E354 WeakPolarHBondContact O-CG 3.43Å; S350-E354 PolarHBondContact O-N 3.49Å; E354-V356 PolarHBondContact O-N 3.2Å; E354-C357 PolarHBondContact O-N 3.45Å; E354-M358 WeakPolarHBondContact O-CG 3.41Å; E354-M358 PolarHBondContact O-N 3.01Å
355	C	94.2	Very high	91.2	Very high	19 Å²	19	59.6 Å²	59.6	13%	0.128	32%	0.319	C	S	.	.	H	α-helix	trans	-58.8	-45.7	176.2	-77.7	0	0	0	0	112.4	H351 F352 A353 M358 H359 F382	H351-C355 VanDerWaalsContact CE1-SG 3.59Å; H351-C355 WeakPolarHBondContact O-CB 3.28Å; H351-C355 PolarHBondContact O-N 2.94Å; H351-C355 PolarHBondContact O-SG 3.02Å; F352-C355 WeakPolarHBondContact O-CB 3.41Å; F352-C355 PolarHBondContact O-N 3.5Å; A353-C355 VanDerWaalsContact C-N 3.33Å; A353-C355 PolarHBondContact O-N 3.25Å; C355-M358 PolarHBondContact O-N 3.06Å; C355-H359 WeakPolarHBondContact O-CB 3.43Å; C355-H359 PolarHBondContact O-N 2.68Å; C355-H359 PolarHBondContact O-ND1 2.96Å; C355-F382 HydrophobicContact CB-CD1 4.47Å; C355-F382 HydrophobicContact CB-CD2 4.1Å; C355-F382 HydrophobicContact CB-CE1 4.26Å; C355-F382 HydrophobicContact CB-CE2 3.9Å; C355-F382 HydrophobicContact CB-CG 4.4Å; C355-F382 HydrophobicContact CB-CZ 3.98Å
356	V	92.4	Very high	90.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-43.9	177.8	171.8	0	0	0	0	110.7	F147 P148 A151 F352 A353 E354 H359 Q360 M379 F382 L383	F147-V356 HydrophobicContact CB-CG1 4.05Å; P148-V356 HydrophobicContact CG-CG1 4.3Å; A151-V356 HydrophobicContact CB-CB 4.16Å; A151-V356 HydrophobicContact CB-CG1 4.18Å; A151-V356 HydrophobicContact CB-CG2 4.38Å; F352-V356 WeakPolarHBondContact O-CG2 3.44Å; F352-V356 PolarHBondContact O-N 2.95Å; A353-V356 PolarHBondContact O-N 3.31Å; E354-V356 PolarHBondContact O-N 3.2Å; V356-H359 PolarHBondContact O-N 2.66Å; V356-Q360 PolarHBondContact O-N 2.9Å; V356-M379 HydrophobicContact CG1-CE 3.98Å; V356-F382 HydrophobicContact CG2-CB 3.72Å; V356-F382 HydrophobicContact CG2-CD2 4.35Å; V356-F382 HydrophobicContact CG2-CG 4.42Å; V356-L383 HydrophobicContact CG2-CG 4.36Å
357	C	92.6	Very high	89.7	Confident	53 Å²	53	61.4 Å²	61.4	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-45	175.8	-72.7	0	0	0	0	112.8	A353 E354 H359 Q360 Q361	A353-C357 PolarHBondContact O-N 3.08Å; A353-C357 PolarHBondContact O-SG 2.97Å; E354-C357 PolarHBondContact O-N 3.45Å; C357-H359 VanDerWaalsContact C-N 3.35Å; C357-H359 PolarHBondContact O-N 3.44Å; C357-Q360 PolarHBondContact O-N 2.89Å; C357-Q361 WeakPolarHBondContact O-CG 3.38Å; C357-Q361 PolarHBondContact O-N 3.5Å; C357-Q361 VanDerWaalsContact O-N 3.09Å
358	M	91	Very high	89.3	Confident	105 Å²	105	61 Å²	61	52%	0.517	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-37.8	175.9	-72.9	-171.9	78.6	0	0	112.6	E354 C355 Q361 K362	E354-M358 WeakPolarHBondContact O-CG 3.41Å; E354-M358 PolarHBondContact O-N 3.01Å; C355-M358 PolarHBondContact O-N 3.06Å; M358-Q361 PolarHBondContact O-N 3.21Å; M358-K362 WeakPolarHBondContact O-CG 3.22Å; M358-K362 PolarHBondContact O-N 2.89Å
359	H	90.3	Very high	88.7	Confident	43 Å²	43	67.2 Å²	67.2	20%	0.199	36%	0.364	C	S	.	.	H	α-helix	trans	-70.9	-37.4	177.8	-77.4	86.9	0	0	0	111.8	C355 V356 C357 Q361 K362 L363 I375 M379 F382	C355-H359 WeakPolarHBondContact O-CB 3.43Å; C355-H359 PolarHBondContact O-N 2.68Å; C355-H359 PolarHBondContact O-ND1 2.96Å; V356-H359 PolarHBondContact O-N 2.66Å; C357-H359 VanDerWaalsContact C-N 3.35Å; C357-H359 PolarHBondContact O-N 3.44Å; H359-Q361 VanDerWaalsContact C-N 3.3Å; H359-Q361 PolarHBondContact O-N 3.21Å; H359-K362 PolarHBondContact O-N 2.74Å; H359-K362 VanDerWaalsContact O-N 3.17Å; H359-L363 WeakPolarHBondContact O-CB 3.41Å; H359-L363 PolarHBondContact O-N 3.19Å; H359-I375 HydrophobicContact CB-CG2 4.02Å; H359-I375 WeakPolarHBondContact O-CG2 3.28Å; H359-M379 HydrophobicContact CB-CG 3.42Å; H359-M379 VanDerWaalsContact CB-CG 3.42Å; H359-M379 HydrophobicContact CB-SD 3.87Å; H359-F382 AromaticContact CE1-CE2 3.73Å; H359-F382 AromaticContact ND1-CE2 3.77Å
360	Q	89.9	Confident	88.3	Confident	46 Å²	46	69.7 Å²	69.7	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-60.6	-38	170.9	-177.4	65.5	5	0	0	112.3	A144 P148 V356 C357 L363 S364 M379	A144-Q360 PolarHBondContact O-OE1 3.41Å; P148-Q360 HydrophobicContact CG-CB 3.91Å; P148-Q360 HydrophobicContact CG-CG 3.88Å; V356-Q360 PolarHBondContact O-N 2.9Å; C357-Q360 PolarHBondContact O-N 2.89Å; Q360-L363 WeakPolarHBondContact O-CB 3.25Å; Q360-L363 PolarHBondContact O-N 3.26Å; Q360-S364 PolarHBondContact O-N 3.02Å; Q360-M379 HydrophobicContact CB-CE 3.89Å; Q360-M379 HydrophobicContact CB-SD 4.49Å
361	Q	88.5	Confident	87.9	Confident	140 Å²	140	71.2 Å²	71.2	65%	0.654	39%	0.393	S	S	*	.	H	α-helix	trans	-68.7	-35.4	174.4	-69.8	173.7	5.3	0	0	112.8	C357 M358 H359 S364	C357-Q361 WeakPolarHBondContact O-CG 3.38Å; C357-Q361 PolarHBondContact O-N 3.5Å; C357-Q361 VanDerWaalsContact O-N 3.09Å; M358-Q361 PolarHBondContact O-N 3.21Å; H359-Q361 VanDerWaalsContact C-N 3.3Å; H359-Q361 PolarHBondContact O-N 3.21Å; Q361-S364 PolarHBondContact O-OG 2.92Å
362	K	86.7	Confident	87.4	Confident	101 Å²	101	68 Å²	68	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-39	173.4	-71.3	172.3	-175.1	174.6	0	111.6	M358 H359 S364 S365 C366 I375	M358-K362 WeakPolarHBondContact O-CG 3.22Å; M358-K362 PolarHBondContact O-N 2.89Å; H359-K362 PolarHBondContact O-N 2.74Å; H359-K362 VanDerWaalsContact O-N 3.17Å; K362-S364 VanDerWaalsContact C-N 3.3Å; K362-S364 PolarHBondContact O-N 2.93Å; K362-S365 PolarHBondContact O-N 3.21Å; K362-S365 PolarHBondContact O-OG 3.47Å; K362-C366 PolarHBondContact O-N 3.5Å; K362-I375 HydrophobicContact CB-CD1 4.25Å
363	L	86.9	Confident	87	Confident	11 Å²	11	69.9 Å²	69.9	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-58	-39.8	-178.8	-173.7	70.7	0	0	0	112.5	F139 A144 H359 Q360 S365 C366 Q372 I375	F139-L363 HydrophobicContact CE2-CD1 3.97Å; F139-L363 HydrophobicContact CE2-CD2 3.96Å; F139-L363 HydrophobicContact CE2-CG 4.39Å; F139-L363 HydrophobicContact CZ-CD1 4.08Å; F139-L363 HydrophobicContact CZ-CD2 4.47Å; F139-L363 HydrophobicContact CZ-CG 4.5Å; A144-L363 HydrophobicContact CB-CD2 3.43Å; A144-L363 VanDerWaalsContact CB-CD2 3.43Å; H359-L363 WeakPolarHBondContact O-CB 3.41Å; H359-L363 PolarHBondContact O-N 3.19Å; Q360-L363 WeakPolarHBondContact O-CB 3.25Å; Q360-L363 PolarHBondContact O-N 3.26Å; L363-S365 VanDerWaalsContact C-N 3.25Å; L363-S365 PolarHBondContact O-N 3.3Å; L363-C366 PolarHBondContact O-N 2.8Å; L363-Q372 HydrophobicContact CD1-CB 3.88Å; L363-Q372 HydrophobicContact CD1-CG 3.96Å; L363-I375 HydrophobicContact CB-CG2 4.02Å; L363-I375 HydrophobicContact CD1-CB 4.16Å; L363-I375 HydrophobicContact CD1-CG2 4.01Å
364	S	78.4	Confident	86.7	Confident	107 Å²	107	75.1 Å²	75.1	75%	0.748	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.6	177.4	63.2	0	0	0	0	114.2	Q360 Q361 K362	Q360-S364 PolarHBondContact O-N 3.02Å; Q361-S364 PolarHBondContact O-OG 2.92Å; K362-S364 VanDerWaalsContact C-N 3.3Å; K362-S364 PolarHBondContact O-N 2.93Å
365	S	80.8	Confident	86.4	Confident	97 Å²	97	70.3 Å²	70.3	68%	0.678	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-15.8	178.2	74.4	0	0	0	0	114.3	K362 L363	K362-S365 PolarHBondContact O-N 3.21Å; K362-S365 PolarHBondContact O-OG 3.47Å; L363-S365 VanDerWaalsContact C-N 3.25Å; L363-S365 PolarHBondContact O-N 3.3Å
366	C	80.1	Confident	86.1	Confident	32 Å²	32	70.2 Å²	70.2	22%	0.216	39%	0.393	C	S	.	.			trans	-93	128	-174.3	-165.5	0	0	0	0	111.5	K362 L363 V371 Q372	K362-C366 PolarHBondContact O-N 3.5Å; L363-C366 PolarHBondContact O-N 2.8Å; C366-V371 VanDerWaalsContact SG-CG1 3.55Å; C366-Q372 HydrophobicContact CB-CG 4.46Å; C366-Q372 PolarHBondContact O-NE2 3.23Å
367	G	74.5	Confident	85.9	Confident	76 Å²	76	72.8 Å²	72.8	78%	0.784	41%	0.414	S	S	*	.			trans	-93.1	-11.4	177.2	0	0	0	0	0	115.3
368	D	85.6	Confident	85.7	Confident	88 Å²	88	71.4 Å²	71.4	47%	0.471	41%	0.409	S	S	.	.			trans	-88.2	121.7	-178.6	-173.8	-9.7	0	0	0	110.9	A370 V371 Q372	D368-A370 VanDerWaalsContact C-N 3.27Å; D368-A370 PolarHBondContact O-N 2.8Å; D368-A370 WeakPolarHBondContact OD1-CB 3.5Å; D368-A370 PolarHBondContact OD1-N 3.44Å; D368-V371 HydrophobicContact CB-CB 4.24Å; D368-V371 HydrophobicContact CB-CG2 4.05Å; D368-V371 PolarHBondContact O-N 3.06Å; D368-Q372 VanDerWaalsContact O-CG 3.3Å; D368-Q372 WeakPolarHBondContact O-CG 3.23Å; D368-Q372 PolarHBondContact O-N 3.44Å
369	R	82.1	Confident	85.7	Confident	198 Å²	198	66.4 Å²	66.4	75%	0.747	38%	0.384	S	S	*	.	H	α-helix	trans	-62.3	-30.7	178.4	-70.5	-174.9	179.4	-177	-0.3	113.2	N373	R369-N373 PolarHBondContact O-N 3.37Å; R369-N373 PolarHBondContact O-ND2 2.82Å; R369-N373 VanDerWaalsContact O-ND2 3.08Å
370	A	84.9	Confident	85.6	Confident	53 Å²	53	64.7 Å²	64.7	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-52.2	176.2	0	0	0	0	0	110	D368 Q372 N373 D374	D368-A370 VanDerWaalsContact C-N 3.27Å; D368-A370 PolarHBondContact O-N 2.8Å; D368-A370 WeakPolarHBondContact OD1-CB 3.5Å; D368-A370 PolarHBondContact OD1-N 3.44Å; A370-Q372 VanDerWaalsContact C-N 3.33Å; A370-Q372 PolarHBondContact O-N 2.68Å; A370-N373 WeakPolarHBondContact O-CB 3.42Å; A370-N373 PolarHBondContact O-N 2.83Å; A370-N373 VanDerWaalsContact O-N 3.13Å; A370-D374 PolarHBondContact O-N 3.26Å
371	V	86.3	Confident	85.6	Confident	58 Å²	58	66.6 Å²	66.6	35%	0.352	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-35.3	178.1	-176.7	0	0	0	0	112	C366 D368 D374 I375	C366-V371 VanDerWaalsContact SG-CG1 3.55Å; D368-V371 HydrophobicContact CB-CB 4.24Å; D368-V371 HydrophobicContact CB-CG2 4.05Å; D368-V371 PolarHBondContact O-N 3.06Å; V371-D374 PolarHBondContact O-N 3.27Å; V371-I375 HydrophobicContact CG1-CD1 3.92Å; V371-I375 HydrophobicContact CG1-CG1 4.37Å; V371-I375 WeakPolarHBondContact O-CB 3.43Å; V371-I375 VanDerWaalsContact O-CG1 3.23Å; V371-I375 WeakPolarHBondContact O-CG1 3.2Å; V371-I375 PolarHBondContact O-N 3.32Å
372	Q	86.2	Confident	85.8	Confident	37 Å²	37	62.4 Å²	62.4	17%	0.173	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-43.7	172.2	-73.5	174.3	-11.8	0	0	112.2	F139 L363 C366 D368 A370 I375 Y376	F139-Q372 HydrophobicContact CD1-CB 4.29Å; F139-Q372 HydrophobicContact CE1-CB 3.88Å; F139-Q372 HydrophobicContact CE1-CG 4.41Å; F139-Q372 HydrophobicContact CZ-CB 4.16Å; L363-Q372 HydrophobicContact CD1-CB 3.88Å; L363-Q372 HydrophobicContact CD1-CG 3.96Å; C366-Q372 HydrophobicContact CB-CG 4.46Å; C366-Q372 PolarHBondContact O-NE2 3.23Å; D368-Q372 VanDerWaalsContact O-CG 3.3Å; D368-Q372 WeakPolarHBondContact O-CG 3.23Å; D368-Q372 PolarHBondContact O-N 3.44Å; A370-Q372 VanDerWaalsContact C-N 3.33Å; A370-Q372 PolarHBondContact O-N 2.68Å; Q372-I375 PolarHBondContact O-N 2.85Å; Q372-Y376 WeakPolarHBondContact O-CB 3.47Å; Q372-Y376 PolarHBondContact O-N 3.07Å
373	N	85.9	Confident	86	Confident	78 Å²	78	57.6 Å²	57.6	42%	0.417	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-42.1	175.2	-70.9	-33.8	0	0	0	111.6	F139 R369 A370 Y376 A377	F139-N373 WeakPolarHBondContact CB-OD1 3.4Å; R369-N373 PolarHBondContact O-N 3.37Å; R369-N373 PolarHBondContact O-ND2 2.82Å; R369-N373 VanDerWaalsContact O-ND2 3.08Å; A370-N373 WeakPolarHBondContact O-CB 3.42Å; A370-N373 PolarHBondContact O-N 2.83Å; A370-N373 VanDerWaalsContact O-N 3.13Å; N373-Y376 PolarHBondContact O-N 3.27Å; N373-A377 WeakPolarHBondContact O-CB 3.41Å; N373-A377 PolarHBondContact O-N 3.41Å
374	D	87.9	Confident	86.1	Confident	113 Å²	113	60.5 Å²	60.5	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-64.6	-40.8	178.1	-66.1	-23.9	0	0	0	111.8	A370 V371 A377 G378	A370-D374 PolarHBondContact O-N 3.26Å; V371-D374 PolarHBondContact O-N 3.27Å; D374-A377 PolarHBondContact O-N 3.03Å; D374-G378 PolarHBondContact O-N 2.85Å
375	I	89.1	Confident	86.7	Confident	21 Å²	21	58.5 Å²	58.5	11%	0.108	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-46.1	174.2	-69.9	167.5	0	0	0	110.6	H359 K362 L363 V371 Q372 A377 G378 M379	H359-I375 HydrophobicContact CB-CG2 4.02Å; H359-I375 WeakPolarHBondContact O-CG2 3.28Å; K362-I375 HydrophobicContact CB-CD1 4.25Å; L363-I375 HydrophobicContact CB-CG2 4.02Å; L363-I375 HydrophobicContact CD1-CB 4.16Å; L363-I375 HydrophobicContact CD1-CG2 4.01Å; V371-I375 HydrophobicContact CG1-CD1 3.92Å; V371-I375 HydrophobicContact CG1-CG1 4.37Å; V371-I375 WeakPolarHBondContact O-CB 3.43Å; V371-I375 VanDerWaalsContact O-CG1 3.23Å; V371-I375 WeakPolarHBondContact O-CG1 3.2Å; V371-I375 PolarHBondContact O-N 3.32Å; Q372-I375 PolarHBondContact O-N 2.85Å; I375-A377 PolarHBondContact O-N 2.86Å; I375-G378 PolarHBondContact O-N 2.97Å; I375-M379 HydrophobicContact CG2-CG 4.45Å; I375-M379 HydrophobicContact CG2-SD 3.98Å; I375-M379 VanDerWaalsContact O-CG 3.32Å; I375-M379 WeakPolarHBondContact O-CG 3.23Å; I375-M379 PolarHBondContact O-N 3.5Å
376	Y	89.1	Confident	87.3	Confident	17 Å²	17	53.9 Å²	53.9	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-44.8	177.2	-179.6	-101.1	0	0	0	111.8	L134 F139 N143 A144 F147 Q372 N373 M379 G380	L134-Y376 PolarHBondContact O-OH 2.81Å; F139-Y376 HydrophobicContact CB-CD1 4.24Å; F139-Y376 HydrophobicContact CB-CG 4.27Å; F139-Y376 AromaticContact CD2-CD2 3.76Å; F139-Y376 HydrophobicContact CD2-CD2 3.76Å; F139-Y376 HydrophobicContact CD2-CE2 4.47Å; F139-Y376 AromaticContact CD2-CG 3.81Å; F139-Y376 HydrophobicContact CD2-CG 3.81Å; F139-Y376 HydrophobicContact CE2-CD2 4.48Å; F139-Y376 HydrophobicContact CG-CG 4.5Å; N143-Y376 HydrophobicContact CB-CE2 3.89Å; N143-Y376 WeakPolarHBondContact CB-OH 3.46Å; A144-Y376 HydrophobicContact CB-CD2 3.98Å; A144-Y376 HydrophobicContact CB-CE2 4.28Å; F147-Y376 AromaticContact CE1-CE2 3.64Å; F147-Y376 HydrophobicContact CE1-CE2 3.64Å; F147-Y376 AromaticContact CE1-CZ 3.97Å; F147-Y376 HydrophobicContact CE2-CD2 4.36Å; F147-Y376 HydrophobicContact CE2-CE2 4.14Å; F147-Y376 HydrophobicContact CZ-CD2 4.04Å; F147-Y376 HydrophobicContact CZ-CE1 4.28Å; F147-Y376 AromaticContact CZ-CE2 3.38Å; F147-Y376 HydrophobicContact CZ-CE2 3.38Å; F147-Y376 AromaticContact CZ-CZ 3.52Å; Q372-Y376 WeakPolarHBondContact O-CB 3.47Å; Q372-Y376 PolarHBondContact O-N 3.07Å; N373-Y376 PolarHBondContact O-N 3.27Å; Y376-M379 PolarHBondContact O-N 2.82Å; Y376-G380 PolarHBondContact O-N 2.73Å
377	A	87	Confident	87.7	Confident	54 Å²	54	52.8 Å²	52.8	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-45	174.2	0	0	0	0	0	111.6	N373 D374 I375 G380 C381	N373-A377 WeakPolarHBondContact O-CB 3.41Å; N373-A377 PolarHBondContact O-N 3.41Å; D374-A377 PolarHBondContact O-N 3.03Å; I375-A377 PolarHBondContact O-N 2.86Å; A377-G380 CarbonylContact O-C 3.59Å; A377-G380 WeakPolarHBondContact O-CA 3.41Å; A377-G380 PolarHBondContact O-N 3.34Å; A377-G380 VanDerWaalsContact O-N 3.11Å; A377-C381 PolarHBondContact O-N 3.29Å; A377-C381 PolarHBondContact O-SG 2.82Å; A377-C381 VanDerWaalsContact O-SG 3.34Å
378	G	88.9	Confident	88.4	Confident	25 Å²	25	54.7 Å²	54.7	26%	0.258	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-43.6	177	0	0	0	0	0	113.5	D374 I375 G380 C381 F382	D374-G378 PolarHBondContact O-N 2.85Å; I375-G378 PolarHBondContact O-N 2.97Å; G378-G380 VanDerWaalsContact C-N 3.28Å; G378-G380 PolarHBondContact O-N 2.95Å; G378-C381 WeakPolarHBondContact O-CB 3.41Å; G378-C381 PolarHBondContact O-N 3.25Å; G378-F382 WeakPolarHBondContact O-CD2 3.49Å; G378-F382 PolarHBondContact O-N 3.32Å
379	M	90.6	Very high	88.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-37.3	173.1	-64.9	168.6	59.8	0	0	111.7	F147 V356 H359 Q360 I375 Y376 F382 L383	F147-M379 HydrophobicContact CB-CE 3.66Å; F147-M379 HydrophobicContact CD2-CB 3.59Å; F147-M379 HydrophobicContact CD2-CE 4.23Å; F147-M379 HydrophobicContact CE2-CB 4.1Å; F147-M379 HydrophobicContact CG-CE 4.25Å; V356-M379 HydrophobicContact CG1-CE 3.98Å; H359-M379 HydrophobicContact CB-CG 3.42Å; H359-M379 VanDerWaalsContact CB-CG 3.42Å; H359-M379 HydrophobicContact CB-SD 3.87Å; Q360-M379 HydrophobicContact CB-CE 3.89Å; Q360-M379 HydrophobicContact CB-SD 4.49Å; I375-M379 HydrophobicContact CG2-CG 4.45Å; I375-M379 HydrophobicContact CG2-SD 3.98Å; I375-M379 VanDerWaalsContact O-CG 3.32Å; I375-M379 WeakPolarHBondContact O-CG 3.23Å; I375-M379 PolarHBondContact O-N 3.5Å; Y376-M379 PolarHBondContact O-N 2.82Å; M379-F382 PolarHBondContact O-N 3.1Å; M379-L383 PolarHBondContact O-N 2.75Å; M379-L383 VanDerWaalsContact O-N 3.16Å
380	G	88.6	Confident	89.1	Confident	6 Å²	6	42 Å²	42	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-43.2	173.7	0	0	0	0	0	112.4	Y376 A377 G378 F382 L383 V384	Y376-G380 PolarHBondContact O-N 2.73Å; A377-G380 CarbonylContact O-C 3.59Å; A377-G380 WeakPolarHBondContact O-CA 3.41Å; A377-G380 PolarHBondContact O-N 3.34Å; A377-G380 VanDerWaalsContact O-N 3.11Å; G378-G380 VanDerWaalsContact C-N 3.28Å; G378-G380 PolarHBondContact O-N 2.95Å; G380-F382 PolarHBondContact O-N 2.98Å; G380-L383 PolarHBondContact O-N 2.98Å; G380-V384 WeakPolarHBondContact O-CG2 3.3Å; G380-V384 PolarHBondContact O-N 3.3Å
381	C	90.4	Very high	89.3	Confident	87 Å²	87	43.9 Å²	43.9	59%	0.588	24%	0.243	S	C	*	.	H	α-helix	trans	-60	-42.7	175.2	-68.4	0	0	0	0	112.5	A377 G378 V384 E385	A377-C381 PolarHBondContact O-N 3.29Å; A377-C381 PolarHBondContact O-SG 2.82Å; A377-C381 VanDerWaalsContact O-SG 3.34Å; G378-C381 WeakPolarHBondContact O-CB 3.41Å; G378-C381 PolarHBondContact O-N 3.25Å; C381-V384 PolarHBondContact O-N 2.79Å; C381-E385 PolarHBondContact O-N 3.1Å; C381-E385 VanDerWaalsContact O-N 3.17Å
382	F	92.3	Very high	89.5	Confident	51 Å²	51	44.1 Å²	44.1	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-49.2	175.1	-68.6	-54	0	0	0	111.6	F352 C355 V356 H359 G378 M379 G380 V384 E385 M386	F352-F382 AromaticContact CD1-CD1 3.52Å; F352-F382 HydrophobicContact CD1-CD1 3.52Å; F352-F382 HydrophobicContact CD1-CE1 4.11Å; F352-F382 HydrophobicContact CD1-CG 4.4Å; F352-F382 AromaticContact CE1-CD1 3.94Å; F352-F382 HydrophobicContact CE1-CD1 3.94Å; F352-F382 HydrophobicContact CE1-CE1 4.31Å; C355-F382 HydrophobicContact CB-CD1 4.47Å; C355-F382 HydrophobicContact CB-CD2 4.1Å; C355-F382 HydrophobicContact CB-CE1 4.26Å; C355-F382 HydrophobicContact CB-CE2 3.9Å; C355-F382 HydrophobicContact CB-CG 4.4Å; C355-F382 HydrophobicContact CB-CZ 3.98Å; V356-F382 HydrophobicContact CG2-CB 3.72Å; V356-F382 HydrophobicContact CG2-CD2 4.35Å; V356-F382 HydrophobicContact CG2-CG 4.42Å; H359-F382 AromaticContact CE1-CE2 3.73Å; H359-F382 AromaticContact ND1-CE2 3.77Å; G378-F382 WeakPolarHBondContact O-CD2 3.49Å; G378-F382 PolarHBondContact O-N 3.32Å; M379-F382 PolarHBondContact O-N 3.1Å; G380-F382 PolarHBondContact O-N 2.98Å; F382-V384 VanDerWaalsContact C-N 3.31Å; F382-V384 PolarHBondContact O-N 3Å; F382-E385 PolarHBondContact O-N 2.82Å; F382-E385 VanDerWaalsContact O-N 3.15Å; F382-M386 VanDerWaalsContact O-CG 3.3Å; F382-M386 WeakPolarHBondContact O-CG 3.31Å; F382-M386 PolarHBondContact O-N 2.65Å
383	L	90	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-36.2	178.6	-72.4	172.3	0	0	0	113.2	L131 F147 L150 A151 V356 M379 G380 M386 V387	L131-L383 HydrophobicContact CD1-CB 3.56Å; L131-L383 HydrophobicContact CD1-CD1 3.96Å; L131-L383 HydrophobicContact CD1-CG 4.42Å; L131-L383 HydrophobicContact CD2-CB 4.03Å; L131-L383 HydrophobicContact CG-CB 4.47Å; F147-L383 HydrophobicContact CB-CD1 3.7Å; F147-L383 HydrophobicContact CD1-CD1 4.35Å; F147-L383 HydrophobicContact CD2-CD1 3.43Å; F147-L383 VanDerWaalsContact CD2-CD1 3.43Å; F147-L383 HydrophobicContact CE2-CD1 4.22Å; F147-L383 HydrophobicContact CG-CD1 3.54Å; L150-L383 HydrophobicContact CB-CD1 4.34Å; L150-L383 HydrophobicContact CB-CD2 4.11Å; L150-L383 HydrophobicContact CD2-CD1 3.96Å; L150-L383 HydrophobicContact CD2-CD2 4.24Å; A151-L383 HydrophobicContact CB-CD2 3.84Å; V356-L383 HydrophobicContact CG2-CG 4.36Å; M379-L383 PolarHBondContact O-N 2.75Å; M379-L383 VanDerWaalsContact O-N 3.16Å; G380-L383 PolarHBondContact O-N 2.98Å; L383-M386 HydrophobicContact CD2-SD 4.06Å; L383-M386 PolarHBondContact O-N 2.89Å; L383-V387 WeakPolarHBondContact O-CB 3.33Å; L383-V387 WeakPolarHBondContact O-CG2 3.37Å; L383-V387 PolarHBondContact O-N 3.22Å
384	V	89.5	Confident	89.6	Confident	72 Å²	72	39 Å²	39	44%	0.436	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-42.5	175.2	168.6	0	0	0	0	111.1	L131 T135 G380 C381 F382 K388	L131-V384 HydrophobicContact CD2-CB 4.39Å; L131-V384 HydrophobicContact CD2-CG2 3.79Å; L131-V384 HydrophobicContact CG-CG2 4.3Å; T135-V384 HydrophobicContact CG2-CG2 4.4Å; G380-V384 WeakPolarHBondContact O-CG2 3.3Å; G380-V384 PolarHBondContact O-N 3.3Å; C381-V384 PolarHBondContact O-N 2.79Å; F382-V384 VanDerWaalsContact C-N 3.31Å; F382-V384 PolarHBondContact O-N 3Å; V384-K388 WeakPolarHBondContact O-CB 3.49Å; V384-K388 PolarHBondContact O-N 3.28Å
385	E	91.2	Very high	89.4	Confident	65 Å²	65	36.8 Å²	36.8	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-71.9	-37.5	177.3	-162.1	64.5	-160.6	0	0	111.7	F352 C381 F382 V387 K388 N389	F352-E385 HydrophobicContact CE2-CG 4.24Å; F352-E385 HydrophobicContact CZ-CG 4.13Å; C381-E385 PolarHBondContact O-N 3.1Å; C381-E385 VanDerWaalsContact O-N 3.17Å; F382-E385 PolarHBondContact O-N 2.82Å; F382-E385 VanDerWaalsContact O-N 3.15Å; E385-V387 PolarHBondContact O-N 2.98Å; E385-K388 PolarHBondContact O-N 3.48Å; E385-K388 IonicContact OE1-NZ 2.64Å; E385-K388 PolarHBondContact OE1-NZ 3.29Å; E385-K388 WeakPolarHBondContact OE2-CD 3.21Å; E385-K388 IonicContact OE2-NZ 2.78Å; E385-K388 PolarHBondContact OE2-NZ 3.28Å; E385-N389 WeakPolarHBondContact O-CB 3.36Å; E385-N389 VanDerWaalsContact O-CG 3.32Å; E385-N389 PolarHBondContact O-N 3.47Å; E385-N389 PolarHBondContact O-ND2 3.14Å
386	M	92.9	Very high	89.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-46.5	172.5	-71	-177.3	80.8	0	0	112.2	A151 V154 Q349 F352 A353 F382 L383 N389 Q390	A151-M386 HydrophobicContact CB-CE 4.07Å; A151-M386 HydrophobicContact CB-SD 3.98Å; V154-M386 HydrophobicContact CB-CE 4.01Å; V154-M386 HydrophobicContact CG1-CB 3.99Å; V154-M386 HydrophobicContact CG1-CE 4.12Å; Q349-M386 PolarHBondContact NE2-O 3.06Å; Q349-M386 WeakPolarHBondContact O-CE 3.23Å; Q349-M386 VanDerWaalsContact OE1-CA 3.24Å; Q349-M386 VanDerWaalsContact OE1-CG 3.26Å; F352-M386 HydrophobicContact CB-CE 4.3Å; F352-M386 HydrophobicContact CB-CG 3.38Å; F352-M386 HydrophobicContact CB-SD 3.61Å; F352-M386 HydrophobicContact CD2-CG 3.9Å; F352-M386 HydrophobicContact CG-CG 3.94Å; A353-M386 HydrophobicContact CB-CE 4.06Å; F382-M386 VanDerWaalsContact O-CG 3.3Å; F382-M386 WeakPolarHBondContact O-CG 3.31Å; F382-M386 PolarHBondContact O-N 2.65Å; L383-M386 HydrophobicContact CD2-SD 4.06Å; L383-M386 PolarHBondContact O-N 2.89Å; M386-N389 PolarHBondContact O-N 3.44Å; M386-Q390 WeakPolarHBondContact O-CB 3.49Å; M386-Q390 PolarHBondContact O-N 2.92Å
387	V	88.3	Confident	88.9	Confident	9 Å²	9	35.4 Å²	35.4	6%	0.055	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-38.5	178	166.7	0	0	0	0	111.8	L127 E128 L131 V154 L383 E385 Q390 K391	L127-V387 HydrophobicContact CB-CG2 4.45Å; E128-V387 HydrophobicContact CG-CG1 3.6Å; L131-V387 HydrophobicContact CD2-CB 4.28Å; L131-V387 HydrophobicContact CD2-CG2 3.87Å; V154-V387 HydrophobicContact CG2-CG2 4.36Å; L383-V387 WeakPolarHBondContact O-CB 3.33Å; L383-V387 WeakPolarHBondContact O-CG2 3.37Å; L383-V387 PolarHBondContact O-N 3.22Å; E385-V387 PolarHBondContact O-N 2.98Å; V387-Q390 PolarHBondContact O-N 3.28Å; V387-K391 PolarHBondContact O-N 3.44Å
388	K	90.5	Very high	88.6	Confident	117 Å²	117	37.2 Å²	37.2	51%	0.509	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-40.7	173.6	173.9	-176.4	163.4	-145.7	0	112.3	V384 E385 W392	V384-K388 WeakPolarHBondContact O-CB 3.49Å; V384-K388 PolarHBondContact O-N 3.28Å; E385-K388 PolarHBondContact O-N 3.48Å; E385-K388 IonicContact OE1-NZ 2.64Å; E385-K388 PolarHBondContact OE1-NZ 3.29Å; E385-K388 WeakPolarHBondContact OE2-CD 3.21Å; E385-K388 IonicContact OE2-NZ 2.78Å; E385-K388 PolarHBondContact OE2-NZ 3.28Å; K388-W392 PolarHBondContact O-N 3.06Å
389	N	92.7	Very high	88.4	Confident	19 Å²	19	41.8 Å²	41.8	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-45.9	173.4	-74.1	-20.5	0	0	0	111.2	L345 E385 M386 K391 W392 M393	L345-N389 HydrophobicContact CD2-CB 4.37Å; E385-N389 WeakPolarHBondContact O-CB 3.36Å; E385-N389 VanDerWaalsContact O-CG 3.32Å; E385-N389 PolarHBondContact O-N 3.47Å; E385-N389 PolarHBondContact O-ND2 3.14Å; M386-N389 PolarHBondContact O-N 3.44Å; N389-K391 VanDerWaalsContact C-N 3.32Å; N389-K391 PolarHBondContact O-N 3.02Å; N389-W392 WeakPolarHBondContact O-CB 3.42Å; N389-W392 PolarHBondContact O-N 2.97Å; N389-M393 VanDerWaalsContact O-CG 3.31Å; N389-M393 WeakPolarHBondContact O-CG 3.46Å; N389-M393 PolarHBondContact O-N 3.16Å
390	Q	89.2	Confident	88.2	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-41.1	177.4	-179.2	64.8	0.1	0	0	112.5	T124 V154 L161 M386 V387 W392 M393 L394	T124-Q390 HydrophobicContact CG2-CG 4.02Å; T124-Q390 WeakPolarHBondContact OG1-CG 3.39Å; V154-Q390 HydrophobicContact CG1-CB 4.11Å; V154-Q390 HydrophobicContact CG1-CG 4.45Å; L161-Q390 VanDerWaalsContact CD1-NE2 3.29Å; M386-Q390 WeakPolarHBondContact O-CB 3.49Å; M386-Q390 PolarHBondContact O-N 2.92Å; V387-Q390 PolarHBondContact O-N 3.28Å; Q390-W392 PolarHBondContact O-N 3.23Å; Q390-M393 PolarHBondContact O-N 3.31Å; Q390-L394 PolarHBondContact O-N 3.05Å
391	K	87.6	Confident	87.9	Confident	93 Å²	93	41.9 Å²	41.9	40%	0.404	20%	0.201	S	C	.	.	H	α-helix	trans	-58.5	-45.3	172	-81.6	-177.2	169.3	-177.3	0	113.4	T124 E128 V387 N389 M393 L394 D395	T124-K391 HydrophobicContact CG2-CG 4.21Å; E128-K391 WeakPolarHBondContact OE1-CE 3.28Å; E128-K391 IonicContact OE1-NZ 2.59Å; E128-K391 PolarHBondContact OE1-NZ 3.32Å; E128-K391 WeakPolarHBondContact OE2-CE 3.44Å; E128-K391 IonicContact OE2-NZ 2.89Å; E128-K391 PolarHBondContact OE2-NZ 3.46Å; V387-K391 PolarHBondContact O-N 3.44Å; N389-K391 VanDerWaalsContact C-N 3.32Å; N389-K391 PolarHBondContact O-N 3.02Å; K391-M393 VanDerWaalsContact C-N 3.34Å; K391-L394 PolarHBondContact O-N 3.22Å; K391-D395 PolarHBondContact O-N 2.98Å
392	W	91.2	Very high	87.4	Confident	62 Å²	62	42.4 Å²	42.4	24%	0.235	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-41.8	178.8	-177.6	88.7	0	0	0	111	Y338 K341 M342 L345 K388 N389 Q390 L394 D395 V396	Y338-W392 HydrophobicContact CD1-CH2 4.25Å; Y338-W392 AromaticContact CD1-CZ2 3.95Å; Y338-W392 HydrophobicContact CD1-CZ2 3.95Å; Y338-W392 HydrophobicContact CE1-CZ2 4.38Å; K341-W392 HydrophobicContact CB-CH2 3.82Å; K341-W392 HydrophobicContact CD-CH2 3.55Å; K341-W392 HydrophobicContact CD-CZ2 3.47Å; K341-W392 VanDerWaalsContact CD-CZ2 3.47Å; K341-W392 HydrophobicContact CD-CZ3 4.31Å; K341-W392 HydrophobicContact CG-CH2 3.55Å; K341-W392 HydrophobicContact CG-CZ2 4.04Å; K341-W392 HydrophobicContact CG-CZ3 4.03Å; M342-W392 HydrophobicContact SD-CZ3 4.13Å; L345-W392 HydrophobicContact CD1-CD2 4.02Å; L345-W392 HydrophobicContact CD1-CE3 3.25Å; L345-W392 HydrophobicContact CD1-CZ3 3.63Å; K388-W392 PolarHBondContact O-N 3.06Å; N389-W392 WeakPolarHBondContact O-CB 3.42Å; N389-W392 PolarHBondContact O-N 2.97Å; Q390-W392 PolarHBondContact O-N 3.23Å; W392-L394 PolarHBondContact O-N 3.15Å; W392-D395 PolarHBondContact O-N 3.5Å; W392-V396 HydrophobicContact CD2-CG2 3.98Å; W392-V396 HydrophobicContact CE3-CG2 4.04Å; W392-V396 HydrophobicContact CH2-CG2 3.65Å; W392-V396 HydrophobicContact CZ2-CG2 3.54Å; W392-V396 HydrophobicContact CZ3-CG2 3.89Å; W392-V396 WeakPolarHBondContact O-CG2 3.34Å; W392-V396 PolarHBondContact O-N 3.24Å
393	M	89.4	Confident	87.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-42.3	175.8	-66.2	176.7	76.8	0	0	111.7	S158 L161 A162 M342 L345 Q349 N389 Q390 K391 V396 A397	S158-M393 VanDerWaalsContact O-CE 3.22Å; S158-M393 WeakPolarHBondContact O-CE 3.46Å; L161-M393 HydrophobicContact CD1-CB 4.07Å; A162-M393 HydrophobicContact CB-CE 4.25Å; M342-M393 HydrophobicContact CE-CB 3.61Å; M342-M393 HydrophobicContact CE-CE 3.73Å; M342-M393 HydrophobicContact CE-CG 4.02Å; M342-M393 HydrophobicContact CG-CE 4.19Å; M342-M393 HydrophobicContact SD-CB 3.7Å; M342-M393 HydrophobicContact SD-CE 3.87Å; M342-M393 HydrophobicContact SD-CG 3.58Å; M342-M393 VanDerWaalsContact SD-CG 3.58Å; L345-M393 HydrophobicContact CB-CG 4.44Å; L345-M393 HydrophobicContact CB-SD 4.03Å; L345-M393 HydrophobicContact CD1-CG 4.15Å; Q349-M393 HydrophobicContact CG-SD 4.45Å; N389-M393 VanDerWaalsContact O-CG 3.31Å; N389-M393 WeakPolarHBondContact O-CG 3.46Å; N389-M393 PolarHBondContact O-N 3.16Å; Q390-M393 PolarHBondContact O-N 3.31Å; K391-M393 VanDerWaalsContact C-N 3.34Å; M393-V396 PolarHBondContact O-N 3.32Å; M393-A397 WeakPolarHBondContact O-CB 3.5Å; M393-A397 PolarHBondContact O-N 2.96Å
394	L	84.2	Confident	87.1	Confident	9 Å²	9	42.4 Å²	42.4	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-41.7	173.5	-83.2	173	0	0	0	113.6	L120 L121 T124 L161 Q390 K391 W392 A397 K398	L120-L394 HydrophobicContact CB-CD2 4.15Å; L121-L394 HydrophobicContact CD1-CD1 4.21Å; T124-L394 HydrophobicContact CG2-CD1 3.94Å; T124-L394 VanDerWaalsContact OG1-CD1 3.24Å; T124-L394 WeakPolarHBondContact OG1-CD1 3.13Å; L161-L394 HydrophobicContact CD1-CD2 3.84Å; L161-L394 HydrophobicContact CD1-CG 3.75Å; L161-L394 HydrophobicContact CD2-CD2 3.75Å; L161-L394 HydrophobicContact CG-CD2 4.43Å; Q390-L394 PolarHBondContact O-N 3.05Å; K391-L394 PolarHBondContact O-N 3.22Å; W392-L394 PolarHBondContact O-N 3.15Å; L394-A397 PolarHBondContact O-N 3.49Å; L394-K398 WeakPolarHBondContact O-CG 3.35Å; L394-K398 PolarHBondContact O-N 3.28Å
395	D	83.7	Confident	86.7	Confident	65 Å²	65	40.2 Å²	40.2	35%	0.348	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-39.9	178.7	-172.4	56	0	0	0	111.5	K391 W392 K398 R399	K391-D395 PolarHBondContact O-N 2.98Å; W392-D395 PolarHBondContact O-N 3.5Å; D395-K398 PolarHBondContact O-N 3.21Å; D395-R399 VanDerWaalsContact O-CG 3.28Å; D395-R399 WeakPolarHBondContact O-CG 3.39Å; D395-R399 PolarHBondContact O-N 3.28Å; D395-R399 IonicContact OD1-NE 3.98Å; D395-R399 IonicContact OD2-CZ 3.14Å; D395-R399 IonicContact OD2-NE 2.84Å; D395-R399 PolarHBondContact OD2-NE 2.9Å; D395-R399 IonicContact OD2-NH2 2.68Å; D395-R399 PolarHBondContact OD2-NH2 3.13Å
396	V	86.2	Confident	86.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-44	173.3	172.5	0	0	0	0	111.8	Y338 W392 M393 K398 R399 F400	Y338-V396 HydrophobicContact CD1-CG1 4.37Å; Y338-V396 HydrophobicContact CD1-CG2 3.97Å; Y338-V396 HydrophobicContact CE1-CG2 4.41Å; Y338-V396 HydrophobicContact CG-CG1 4.41Å; W392-V396 HydrophobicContact CD2-CG2 3.98Å; W392-V396 HydrophobicContact CE3-CG2 4.04Å; W392-V396 HydrophobicContact CH2-CG2 3.65Å; W392-V396 HydrophobicContact CZ2-CG2 3.54Å; W392-V396 HydrophobicContact CZ3-CG2 3.89Å; W392-V396 WeakPolarHBondContact O-CG2 3.34Å; W392-V396 PolarHBondContact O-N 3.24Å; M393-V396 PolarHBondContact O-N 3.32Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 PolarHBondContact O-N 3.15Å; V396-R399 WeakPolarHBondContact O-CB 3.44Å; V396-R399 PolarHBondContact O-N 3.21Å; V396-R399 VanDerWaalsContact O-N 3.14Å; V396-F400 HydrophobicContact CG1-CD1 3.97Å; V396-F400 HydrophobicContact CG1-CE1 3.58Å; V396-F400 HydrophobicContact CG1-CE2 4.46Å; V396-F400 HydrophobicContact CG1-CZ 3.87Å; V396-F400 WeakPolarHBondContact O-CD1 3.33Å; V396-F400 PolarHBondContact O-N 3.42Å
397	A	82.5	Confident	86.4	Confident	8 Å²	8	43.5 Å²	43.5	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-42.6	175.9	0	0	0	0	0	112.4	L161 C165 M393 L394 F400 G401	L161-A397 HydrophobicContact CD2-CB 4.21Å; C165-A397 VanDerWaalsContact SG-CB 3.58Å; M393-A397 WeakPolarHBondContact O-CB 3.5Å; M393-A397 PolarHBondContact O-N 2.96Å; L394-A397 PolarHBondContact O-N 3.49Å; A397-F400 PolarHBondContact O-N 2.93Å; A397-G401 PolarHBondContact O-N 2.73Å
398	K	80.7	Confident	86.5	Confident	92 Å²	92	43.4 Å²	43.4	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-45.2	174	-71.4	172.1	-176.5	179.9	0	111.9	L394 D395 V396 F400 G401 L402	L394-K398 WeakPolarHBondContact O-CG 3.35Å; L394-K398 PolarHBondContact O-N 3.28Å; D395-K398 PolarHBondContact O-N 3.21Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 PolarHBondContact O-N 3.15Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 2.85Å; K398-G401 PolarHBondContact O-N 3.33Å; K398-L402 WeakPolarHBondContact O-CG 3.42Å; K398-L402 PolarHBondContact O-N 3.13Å
399	R	84.1	Confident	86.3	Confident	122 Å²	122	41.4 Å²	41.4	46%	0.46	19%	0.194	S	C	.	.	H	α-helix	trans	-60.6	-39.2	175.9	-67.7	168.3	-168.7	-137.4	4	111.9	D395 V396 L402 A403	D395-R399 VanDerWaalsContact O-CG 3.28Å; D395-R399 WeakPolarHBondContact O-CG 3.39Å; D395-R399 PolarHBondContact O-N 3.28Å; D395-R399 IonicContact OD1-NE 3.98Å; D395-R399 IonicContact OD2-CZ 3.14Å; D395-R399 IonicContact OD2-NE 2.84Å; D395-R399 PolarHBondContact OD2-NE 2.9Å; D395-R399 IonicContact OD2-NH2 2.68Å; D395-R399 PolarHBondContact OD2-NH2 3.13Å; V396-R399 WeakPolarHBondContact O-CB 3.44Å; V396-R399 PolarHBondContact O-N 3.21Å; V396-R399 VanDerWaalsContact O-N 3.14Å; R399-L402 PolarHBondContact O-N 2.81Å; R399-A403 VanDerWaalsContact O-CB 3.3Å; R399-A403 WeakPolarHBondContact O-CB 3.5Å; R399-A403 PolarHBondContact O-N 3.4Å
400	F	87.3	Confident	86.2	Confident	4 Å²	4	42 Å²	42	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-42.7	177.3	-78.4	21.2	0	0	0	111.8	C165 L168 V169 L335 Y338 V339 V396 A397 K398 A403 K404	C165-F400 HydrophobicContact CB-CD2 3.84Å; C165-F400 HydrophobicContact CB-CE2 3.85Å; L168-F400 HydrophobicContact CB-CB 4.28Å; L168-F400 HydrophobicContact CB-CD2 4.46Å; L168-F400 HydrophobicContact CD1-CB 3.96Å; V169-F400 HydrophobicContact CG2-CD2 3.72Å; V169-F400 HydrophobicContact CG2-CE2 3.37Å; V169-F400 HydrophobicContact CG2-CZ 4.07Å; L335-F400 HydrophobicContact CD2-CD1 3.56Å; L335-F400 HydrophobicContact CD2-CE1 3.42Å; L335-F400 VanDerWaalsContact CD2-CE1 3.42Å; L335-F400 HydrophobicContact CD2-CG 4.18Å; L335-F400 HydrophobicContact CD2-CZ 3.93Å; Y338-F400 HydrophobicContact CD2-CE1 4.22Å; Y338-F400 HydrophobicContact CG-CE1 4.15Å; V339-F400 HydrophobicContact CG2-CE2 3.78Å; V339-F400 HydrophobicContact CG2-CZ 3.99Å; V396-F400 HydrophobicContact CG1-CD1 3.97Å; V396-F400 HydrophobicContact CG1-CE1 3.58Å; V396-F400 HydrophobicContact CG1-CE2 4.46Å; V396-F400 HydrophobicContact CG1-CZ 3.87Å; V396-F400 WeakPolarHBondContact O-CD1 3.33Å; V396-F400 PolarHBondContact O-N 3.42Å; A397-F400 PolarHBondContact O-N 2.93Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 2.85Å; F400-A403 PolarHBondContact O-N 2.98Å; F400-K404 WeakPolarHBondContact O-CB 3.4Å; F400-K404 PolarHBondContact O-N 3.47Å
401	G	81	Confident	86.4	Confident	3 Å²	3	42 Å²	42	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-44.3	174.4	0	0	0	0	0	113.2	A397 K398 K404 L405	A397-G401 PolarHBondContact O-N 2.73Å; K398-G401 PolarHBondContact O-N 3.33Å; G401-K404 PolarHBondContact O-N 2.79Å; G401-L405 PolarHBondContact O-N 3.32Å; G401-L405 VanDerWaalsContact O-N 3.1Å
402	L	81.5	Confident	86.4	Confident	98 Å²	98	41.1 Å²	41.1	51%	0.513	19%	0.191	S	C	.	.	H	α-helix	trans	-64.4	-41.5	175	-68.9	174	0	0	0	112.3	K398 R399 L405 E406	K398-L402 WeakPolarHBondContact O-CG 3.42Å; K398-L402 PolarHBondContact O-N 3.13Å; R399-L402 PolarHBondContact O-N 2.81Å; L402-L405 WeakPolarHBondContact O-CB 3.44Å; L402-L405 PolarHBondContact O-N 2.96Å; L402-E406 PolarHBondContact O-N 3Å
403	A	86.7	Confident	86.3	Confident	18 Å²	18	44.3 Å²	44.3	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-46.4	175	0	0	0	0	0	111	R331 R399 F400 L405 E406 L407	R331-A403 PolarHBondContact NH1-O 3.09Å; R331-A403 PolarHBondContact NH2-O 2.77Å; R399-A403 VanDerWaalsContact O-CB 3.3Å; R399-A403 WeakPolarHBondContact O-CB 3.5Å; R399-A403 PolarHBondContact O-N 3.4Å; F400-A403 PolarHBondContact O-N 2.98Å; A403-L405 VanDerWaalsContact C-N 3.29Å; A403-L405 PolarHBondContact O-N 3.37Å; A403-E406 WeakPolarHBondContact O-CB 3.41Å; A403-E406 PolarHBondContact O-N 2.9Å; A403-E406 VanDerWaalsContact O-N 3.16Å; A403-L407 PolarHBondContact O-N 3.49Å
404	K	87.9	Confident	86.5	Confident	34 Å²	34	45.5 Å²	45.5	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-55.2	-44.2	176.3	-175.8	-174.7	174.5	-172.9	0	111.3	G10 L168 E171 Q172 I175 F400 G401 L407 L408	G10-K404 WeakPolarHBondContact O-CE 3.13Å; G10-K404 PolarHBondContact O-NZ 2.98Å; L168-K404 HydrophobicContact CD2-CD 3.8Å; E171-K404 IonicContact OE1-NZ 2.9Å; E171-K404 PolarHBondContact OE1-NZ 3.41Å; E171-K404 WeakPolarHBondContact OE2-CE 3.44Å; E171-K404 IonicContact OE2-NZ 2.66Å; E171-K404 PolarHBondContact OE2-NZ 2.88Å; Q172-K404 HydrophobicContact CG-CB 3.94Å; Q172-K404 HydrophobicContact CG-CG 4.08Å; I175-K404 HydrophobicContact CD1-CG 4.09Å; F400-K404 WeakPolarHBondContact O-CB 3.4Å; F400-K404 PolarHBondContact O-N 3.47Å; G401-K404 PolarHBondContact O-N 2.79Å; K404-L407 PolarHBondContact O-N 2.98Å; K404-L408 WeakPolarHBondContact O-CB 3.36Å; K404-L408 PolarHBondContact O-N 2.62Å
405	L	82.7	Confident	86.9	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-50.6	173.8	-91	-171.3	0	0	0	113.2	V109 G401 L402 A403 L407 L408 E409	V109-L405 HydrophobicContact CB-CD1 3.65Å; V109-L405 HydrophobicContact CB-CD2 4.28Å; V109-L405 HydrophobicContact CB-CG 3.88Å; V109-L405 HydrophobicContact CG1-CD1 4.09Å; V109-L405 HydrophobicContact CG1-CG 4.14Å; V109-L405 HydrophobicContact CG2-CD1 3.8Å; V109-L405 HydrophobicContact CG2-CD2 3.44Å; V109-L405 VanDerWaalsContact CG2-CD2 3.44Å; V109-L405 HydrophobicContact CG2-CG 3.5Å; V109-L405 VanDerWaalsContact CG2-CG 3.5Å; G401-L405 PolarHBondContact O-N 3.32Å; G401-L405 VanDerWaalsContact O-N 3.1Å; L402-L405 WeakPolarHBondContact O-CB 3.44Å; L402-L405 PolarHBondContact O-N 2.96Å; A403-L405 VanDerWaalsContact C-N 3.29Å; A403-L405 PolarHBondContact O-N 3.37Å; L405-L407 PolarHBondContact O-N 2.66Å; L405-L408 PolarHBondContact O-N 3.35Å; L405-L408 VanDerWaalsContact O-N 3.12Å; L405-E409 WeakPolarHBondContact O-CB 3.32Å; L405-E409 PolarHBondContact O-N 3.49Å
406	E	87.3	Confident	87	Confident	131 Å²	131	46.6 Å²	46.6	61%	0.612	21%	0.211	S	C	*	.	H	α-helix	trans	-57.8	-41.8	-177.3	-170	-154.7	150.6	0	0	111.1	R331 L402 A403 N410	R331-E406 IonicContact NH1-OE2 3.37Å; L402-E406 PolarHBondContact O-N 3Å; A403-E406 WeakPolarHBondContact O-CB 3.41Å; A403-E406 PolarHBondContact O-N 2.9Å; A403-E406 VanDerWaalsContact O-N 3.16Å; E406-N410 WeakPolarHBondContact O-CB 3.07Å; E406-N410 PolarHBondContact O-N 3.12Å
407	L	90.8	Very high	87.3	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-68.3	-43.8	174.9	-178.6	64.2	0	0	0	111.7	Q172 I175 I325 I328 A403 K404 L405 E409 N410 I411	Q172-L407 HydrophobicContact CB-CD2 4.19Å; Q172-L407 HydrophobicContact CG-CD2 4.33Å; I175-L407 HydrophobicContact CB-CD2 4.13Å; I175-L407 HydrophobicContact CG2-CD2 3.86Å; I175-L407 HydrophobicContact CG2-CG 3.8Å; I325-L407 HydrophobicContact CD1-CD1 3.85Å; I328-L407 HydrophobicContact CD1-CD1 4.07Å; A403-L407 PolarHBondContact O-N 3.49Å; K404-L407 PolarHBondContact O-N 2.98Å; L405-L407 PolarHBondContact O-N 2.66Å; L407-E409 VanDerWaalsContact C-N 3.35Å; L407-E409 PolarHBondContact O-N 3.23Å; L407-N410 CarbonylContact O-C 3.57Å; L407-N410 WeakPolarHBondContact O-CB 3.45Å; L407-N410 PolarHBondContact O-N 2.87Å; L407-N410 VanDerWaalsContact O-N 3.16Å; L407-I411 WeakPolarHBondContact O-CG1 3.08Å; L407-I411 PolarHBondContact O-N 3.44Å
408	L	88.8	Confident	87.8	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-40.1	179.6	-175	62.7	0	0	0	112.1	L7 V9 I175 K404 L405 N410 I411 R412	L7-L408 VanDerWaalsContact O-CD1 3.3Å; L7-L408 WeakPolarHBondContact O-CD1 3.43Å; V9-L408 VanDerWaalsContact O-CD2 3.27Å; V9-L408 WeakPolarHBondContact O-CD2 3.19Å; I175-L408 HydrophobicContact CD1-CD1 4.43Å; K404-L408 WeakPolarHBondContact O-CB 3.36Å; K404-L408 PolarHBondContact O-N 2.62Å; L405-L408 PolarHBondContact O-N 3.35Å; L405-L408 VanDerWaalsContact O-N 3.12Å; L408-N410 VanDerWaalsContact C-N 3.33Å; L408-I411 PolarHBondContact O-N 3.02Å; L408-R412 WeakPolarHBondContact O-CG 3.48Å; L408-R412 PolarHBondContact O-N 2.88Å
409	E	87.3	Confident	88.1	Confident	74 Å²	74	44.4 Å²	44.4	35%	0.346	20%	0.201	S	C	.	.	H	α-helix	trans	-70.7	-29.1	174.8	-172.3	58.1	-156	0	0	112.6	L405 L407 R412 R413	L405-E409 WeakPolarHBondContact O-CB 3.32Å; L405-E409 PolarHBondContact O-N 3.49Å; L407-E409 VanDerWaalsContact C-N 3.35Å; L407-E409 PolarHBondContact O-N 3.23Å; E409-R412 IonicContact OE2-NH1 3.91Å; E409-R413 PolarHBondContact O-NE 3.11Å
410	N	91.1	Very high	88.4	Confident	31 Å²	31	40.9 Å²	40.9	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-37.6	170.1	179	-67.3	0	0	0	111.8	E406 L407 L408 R414	E406-N410 WeakPolarHBondContact O-CB 3.07Å; E406-N410 PolarHBondContact O-N 3.12Å; L407-N410 CarbonylContact O-C 3.57Å; L407-N410 WeakPolarHBondContact O-CB 3.45Å; L407-N410 PolarHBondContact O-N 2.87Å; L407-N410 VanDerWaalsContact O-N 3.16Å; L408-N410 VanDerWaalsContact C-N 3.33Å; N410-R414 PolarHBondContact ND2-NH1 3.25Å; N410-R414 VanDerWaalsContact ND2-NH1 3.2Å; N410-R414 WeakPolarHBondContact O-CG 3.48Å; N410-R414 PolarHBondContact O-N 2.97Å; N410-R414 PolarHBondContact O-NH1 2.87Å; N410-R414 VanDerWaalsContact OD1-CZ 3.31Å; N410-R414 PolarHBondContact OD1-NH1 3.16Å
411	I	92.3	Very high	88.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.7	-43.3	174.2	-67.7	-44.1	0	0	0	112.2	L7 I175 W179 I325 L407 L408 R413 R414 L415	L7-I411 HydrophobicContact CD1-CG2 4.27Å; L7-I411 HydrophobicContact CD2-CG2 4.43Å; L7-I411 HydrophobicContact CG-CG2 4.1Å; I175-I411 HydrophobicContact CG2-CB 4.37Å; I175-I411 HydrophobicContact CG2-CG1 3.5Å; W179-I411 HydrophobicContact CB-CD1 3.59Å; W179-I411 HydrophobicContact CB-CG1 4.49Å; W179-I411 HydrophobicContact CD2-CD1 3.9Å; W179-I411 HydrophobicContact CE3-CD1 4.29Å; W179-I411 HydrophobicContact CG-CD1 3.55Å; I325-I411 HydrophobicContact CD1-CD1 3.61Å; L407-I411 WeakPolarHBondContact O-CG1 3.08Å; L407-I411 PolarHBondContact O-N 3.44Å; L408-I411 PolarHBondContact O-N 3.02Å; I411-R413 PolarHBondContact O-N 3.37Å; I411-R414 CarbonylContact O-C 3.46Å; I411-R414 WeakPolarHBondContact O-CA 3.2Å; I411-R414 WeakPolarHBondContact O-CB 3.28Å; I411-R414 PolarHBondContact O-N 3.33Å; I411-L415 HydrophobicContact CG2-CD1 3.87Å; I411-L415 HydrophobicContact CG2-CG 3.94Å; I411-L415 WeakPolarHBondContact O-CG 3.06Å; I411-L415 PolarHBondContact O-N 2.7Å
412	R	88.8	Confident	89	Confident	76 Å²	76	41.8 Å²	41.8	29%	0.287	20%	0.198	S	C	.	.	H	α-helix	trans	-56.3	-50.3	-179.8	-75.8	168.6	-178.8	162	-4.7	112.9	N8 L408 E409 R414 L415 E416	N8-R412 PolarHBondContact O-NE 3.16Å; N8-R412 PolarHBondContact O-NH2 3.08Å; N8-R412 VanDerWaalsContact O-NH2 3.13Å; L408-R412 WeakPolarHBondContact O-CG 3.48Å; L408-R412 PolarHBondContact O-N 2.88Å; E409-R412 IonicContact OE2-NH1 3.91Å; R412-R414 PolarHBondContact O-N 2.83Å; R412-L415 WeakPolarHBondContact O-CB 3.4Å; R412-L415 PolarHBondContact O-N 3.45Å; R412-L415 VanDerWaalsContact O-N 3.09Å; R412-E416 PolarHBondContact O-N 3.38Å
413	R	88.6	Confident	89.3	Confident	128 Å²	128	41.6 Å²	41.6	48%	0.483	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-31.6	175	-70.4	176.5	-71.1	136.8	-10.3	113	E409 I411 W417	E409-R413 PolarHBondContact O-NE 3.11Å; I411-R413 PolarHBondContact O-N 3.37Å; R413-W417 PolarHBondContact O-N 3.04Å
414	R	93.5	Very high	89.6	Confident	25 Å²	25	44.2 Å²	44.2	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-74.8	-38	174	-81.9	173.2	172.5	66.6	3.9	112.5	W179 Q321 M322 N410 I411 R412 E416 W417 V418	W179-R414 HydrophobicContact CE3-CB 4.14Å; W179-R414 HydrophobicContact CH2-CB 3.56Å; W179-R414 HydrophobicContact CH2-CG 4.17Å; W179-R414 HydrophobicContact CZ2-CB 4Å; W179-R414 HydrophobicContact CZ2-CG 4.16Å; W179-R414 HydrophobicContact CZ3-CB 3.62Å; Q321-R414 PolarHBondContact O-NH2 3.27Å; M322-R414 WeakPolarHBondContact O-CD 3.15Å; M322-R414 PolarHBondContact O-NE 2.96Å; M322-R414 HydrophobicContact SD-CG 4.15Å; N410-R414 PolarHBondContact ND2-NH1 3.25Å; N410-R414 VanDerWaalsContact ND2-NH1 3.2Å; N410-R414 WeakPolarHBondContact O-CG 3.48Å; N410-R414 PolarHBondContact O-N 2.97Å; N410-R414 PolarHBondContact O-NH1 2.87Å; N410-R414 VanDerWaalsContact OD1-CZ 3.31Å; N410-R414 PolarHBondContact OD1-NH1 3.16Å; I411-R414 CarbonylContact O-C 3.46Å; I411-R414 WeakPolarHBondContact O-CA 3.2Å; I411-R414 WeakPolarHBondContact O-CB 3.28Å; I411-R414 PolarHBondContact O-N 3.33Å; R412-R414 PolarHBondContact O-N 2.83Å; R414-E416 VanDerWaalsContact C-N 3.34Å; R414-W417 WeakPolarHBondContact O-CB 3.39Å; R414-W417 PolarHBondContact O-N 3.21Å; R414-V418 WeakPolarHBondContact O-CG2 3.49Å; R414-V418 PolarHBondContact O-N 2.63Å
415	L	91.5	Very high	89.8	Confident	6 Å²	6	43 Å²	43	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-40.1	173.2	-68.8	175.4	0	0	0	111.2	L7 V74 W179 V182 I411 R412 W417 V418 I419	L7-L415 HydrophobicContact CD2-CD1 4.43Å; L7-L415 HydrophobicContact CD2-CD2 4.15Å; L7-L415 HydrophobicContact CG-CD1 4.37Å; V74-L415 HydrophobicContact CG1-CD1 4.34Å; V74-L415 HydrophobicContact CG1-CD2 4.01Å; W179-L415 HydrophobicContact CE3-CD2 4.44Å; W179-L415 HydrophobicContact CZ3-CD2 4.33Å; V182-L415 HydrophobicContact CG1-CD2 4.16Å; V182-L415 HydrophobicContact CG2-CD2 4.12Å; I411-L415 HydrophobicContact CG2-CD1 3.87Å; I411-L415 HydrophobicContact CG2-CG 3.94Å; I411-L415 WeakPolarHBondContact O-CG 3.06Å; I411-L415 PolarHBondContact O-N 2.7Å; R412-L415 WeakPolarHBondContact O-CB 3.4Å; R412-L415 PolarHBondContact O-N 3.45Å; R412-L415 VanDerWaalsContact O-N 3.09Å; L415-W417 VanDerWaalsContact C-N 3.33Å; L415-W417 PolarHBondContact O-N 3.35Å; L415-V418 PolarHBondContact O-N 3.15Å; L415-I419 WeakPolarHBondContact O-CB 3.43Å; L415-I419 VanDerWaalsContact O-CG1 3.22Å; L415-I419 WeakPolarHBondContact O-CG1 3.3Å; L415-I419 PolarHBondContact O-N 3.27Å
416	E	87.4	Confident	90	Very high	92 Å²	92	46 Å²	46	43%	0.43	21%	0.21	S	C	.	.	H	α-helix	trans	-58.6	-42.2	171.7	-69	164.6	-157.1	0	0	112.2	A79 R412 R414 S420	A79-E416 VanDerWaalsContact CB-OE1 3.25Å; A79-E416 WeakPolarHBondContact CB-OE1 3.32Å; R412-E416 PolarHBondContact O-N 3.38Å; R414-E416 VanDerWaalsContact C-N 3.34Å; E416-S420 WeakPolarHBondContact O-CB 3.43Å; E416-S420 PolarHBondContact O-N 3.3Å; E416-S420 PolarHBondContact O-OG 3Å
417	W	92.4	Very high	90.1	Very high	19 Å²	19	42.7 Å²	42.7	7%	0.072	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-37.5	175	175.1	106.7	0	0	0	112.5	L186 R316 D319 M322 K323 R413 R414 L415 S420 T421	L186-W417 HydrophobicContact CD2-CE3 4.42Å; L186-W417 HydrophobicContact CD2-CH2 3.74Å; L186-W417 HydrophobicContact CD2-CZ3 3.39Å; R316-W417 HydrophobicContact CB-CH2 4.29Å; R316-W417 HydrophobicContact CB-CZ2 4.03Å; R316-W417 HydrophobicContact CG-CZ2 4.45Å; D319-W417 HydrophobicContact CB-CZ2 3.92Å; D319-W417 PolarHBondContact OD2-NE1 3.2Å; M322-W417 HydrophobicContact CB-CD2 3.88Å; M322-W417 HydrophobicContact CB-CE3 4.16Å; M322-W417 HydrophobicContact CB-CG 4.41Å; M322-W417 HydrophobicContact CB-CH2 4.12Å; M322-W417 HydrophobicContact CB-CZ2 3.8Å; M322-W417 HydrophobicContact CB-CZ3 4.27Å; M322-W417 HydrophobicContact CG-CD2 4.11Å; M322-W417 HydrophobicContact CG-CG 4.16Å; M322-W417 HydrophobicContact CG-CZ2 4.37Å; M322-W417 HydrophobicContact SD-CG 4.43Å; K323-W417 HydrophobicContact CG-CH2 4.16Å; R413-W417 PolarHBondContact O-N 3.04Å; R414-W417 WeakPolarHBondContact O-CB 3.39Å; R414-W417 PolarHBondContact O-N 3.21Å; L415-W417 VanDerWaalsContact C-N 3.33Å; L415-W417 PolarHBondContact O-N 3.35Å; W417-S420 PolarHBondContact O-OG 3.05Å; W417-T421 WeakPolarHBondContact O-CB 3.31Å; W417-T421 PolarHBondContact O-N 3.38Å; W417-T421 PolarHBondContact O-OG1 2.84Å
418	V	92.1	Very high	90.1	Very high	5 Å²	5	43 Å²	43	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-71	-46.2	174	178.6	0	0	0	0	111.4	W179 V182 L186 R414 L415 S420 T421 H422	W179-V418 HydrophobicContact CH2-CG2 3.56Å; W179-V418 HydrophobicContact CZ3-CG2 3.7Å; V182-V418 HydrophobicContact CG1-CB 4.21Å; V182-V418 HydrophobicContact CG1-CG1 3.82Å; V182-V418 HydrophobicContact CG1-CG2 3.86Å; L186-V418 HydrophobicContact CD1-CG1 4.5Å; L186-V418 HydrophobicContact CD2-CG2 4.32Å; R414-V418 WeakPolarHBondContact O-CG2 3.49Å; R414-V418 PolarHBondContact O-N 2.63Å; L415-V418 PolarHBondContact O-N 3.15Å; V418-S420 PolarHBondContact O-N 3.31Å; V418-T421 CarbonylContact O-C 3.53Å; V418-T421 WeakPolarHBondContact O-CB 3.46Å; V418-T421 PolarHBondContact O-N 3.27Å; V418-T421 VanDerWaalsContact O-N 3.13Å; V418-H422 PolarHBondContact O-N 3.2Å
419	I	87.6	Confident	90.2	Very high	30 Å²	30	44.6 Å²	44.6	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-49.2	-179	-71	164.6	0	0	0	110	L415 T421 H422 E423	L415-I419 WeakPolarHBondContact O-CB 3.43Å; L415-I419 VanDerWaalsContact O-CG1 3.22Å; L415-I419 WeakPolarHBondContact O-CG1 3.3Å; L415-I419 PolarHBondContact O-N 3.27Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 PolarHBondContact O-N 3.09Å; I419-H422 PolarHBondContact O-N 2.78Å; I419-H422 VanDerWaalsContact O-N 3.13Å; I419-E423 HydrophobicContact CG2-CG 4.38Å; I419-E423 WeakPolarHBondContact O-CG 3.42Å; I419-E423 PolarHBondContact O-N 2.81Å
420	S	89.2	Confident	90.3	Very high	48 Å²	48	44.4 Å²	44.4	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-32.5	176.1	53.5	0	0	0	0	113.2	E416 W417 V418 Y424	E416-S420 WeakPolarHBondContact O-CB 3.43Å; E416-S420 PolarHBondContact O-N 3.3Å; E416-S420 PolarHBondContact O-OG 3Å; W417-S420 PolarHBondContact O-OG 3.05Å; V418-S420 PolarHBondContact O-N 3.31Å; S420-Y424 PolarHBondContact O-N 3.49Å; S420-Y424 VanDerWaalsContact O-N 3.14Å
421	T	91.4	Very high	90.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-41.2	173	-59	0	0	0	0	111.8	L186 F312 R316 W417 V418 I419 Y424 I425	L186-T421 HydrophobicContact CD1-CG2 3.78Å; F312-T421 HydrophobicContact CE1-CG2 4.28Å; R316-T421 HydrophobicContact CB-CG2 4.24Å; R316-T421 WeakPolarHBondContact CD-OG1 3.11Å; R316-T421 HydrophobicContact CG-CG2 3.8Å; R316-T421 PolarHBondContact NE-OG1 3.44Å; W417-T421 WeakPolarHBondContact O-CB 3.31Å; W417-T421 PolarHBondContact O-N 3.38Å; W417-T421 PolarHBondContact O-OG1 2.84Å; V418-T421 CarbonylContact O-C 3.53Å; V418-T421 WeakPolarHBondContact O-CB 3.46Å; V418-T421 PolarHBondContact O-N 3.27Å; V418-T421 VanDerWaalsContact O-N 3.13Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 PolarHBondContact O-N 3.09Å; T421-Y424 PolarHBondContact O-N 3.42Å; T421-I425 HydrophobicContact CG2-CD1 3.89Å; T421-I425 VanDerWaalsContact O-CG1 3.27Å; T421-I425 WeakPolarHBondContact O-CG1 3.27Å; T421-I425 PolarHBondContact O-N 3.47Å
422	H	90.6	Very high	90	Very high	27 Å²	27	46.7 Å²	46.7	13%	0.125	23%	0.23	C	C	.	.	H	α-helix	trans	-70.3	-36.8	175.4	-74.7	170.3	0	0	0	113.1	N185 L186 V418 I419 Y424 I425 H426 I660	N185-H422 PolarHBondContact OD1-CE1 3.16Å; L186-H422 WeakPolarHBondContact CD1-NE2 3.48Å; V418-H422 PolarHBondContact O-N 3.2Å; I419-H422 PolarHBondContact O-N 2.78Å; I419-H422 VanDerWaalsContact O-N 3.13Å; H422-Y424 VanDerWaalsContact C-N 3.34Å; H422-I425 PolarHBondContact O-N 3.47Å; H422-H426 WeakPolarHBondContact O-CB 3.4Å; H422-H426 PolarHBondContact O-N 3.45Å; H422-I660 WeakPolarHBondContact ND1-CD1 3.33Å
423	E	88.4	Confident	90.1	Very high	94 Å²	94	49 Å²	49	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-45.7	171.9	-74.9	-179.1	147	0	0	110.5	K78 I419 H426 A427	K78-E423 WeakPolarHBondContact CE-OE1 3.43Å; K78-E423 IonicContact NZ-OE1 2.74Å; K78-E423 PolarHBondContact NZ-OE1 2.69Å; K78-E423 IonicContact NZ-OE2 2.64Å; I419-E423 HydrophobicContact CG2-CG 4.38Å; I419-E423 WeakPolarHBondContact O-CG 3.42Å; I419-E423 PolarHBondContact O-N 2.81Å; E423-H426 PolarHBondContact O-N 3.14Å; E423-A427 PolarHBondContact O-N 3.19Å; E423-A427 VanDerWaalsContact O-N 3.1Å
424	Y	91.7	Very high	90.1	Very high	72 Å²	72	45.6 Å²	45.6	28%	0.282	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-49.4	174.9	-179.5	-87.8	0	0	0	112.6	C309 F312 S420 T421 H422 H426 A427 A428	C309-Y424 WeakPolarHBondContact CA-OH 3.48Å; C309-Y424 HydrophobicContact CB-CE1 4.4Å; C309-Y424 PolarHBondContact SG-OH 3.23Å; C309-Y424 VanDerWaalsContact SG-OH 3.41Å; F312-Y424 HydrophobicContact CB-CE1 3.96Å; F312-Y424 AromaticContact CD1-CD1 3.26Å; F312-Y424 HydrophobicContact CD1-CD1 3.26Å; F312-Y424 HydrophobicContact CD1-CD2 4.43Å; F312-Y424 AromaticContact CD1-CE1 3.35Å; F312-Y424 HydrophobicContact CD1-CE1 3.35Å; F312-Y424 AromaticContact CD1-CG 3.84Å; F312-Y424 HydrophobicContact CD1-CG 3.84Å; F312-Y424 AromaticContact CE1-CD1 3.34Å; F312-Y424 HydrophobicContact CE1-CD1 3.34Å; F312-Y424 HydrophobicContact CE1-CD2 4.25Å; F312-Y424 AromaticContact CE1-CE1 3.94Å; F312-Y424 HydrophobicContact CE1-CE1 3.94Å; F312-Y424 AromaticContact CE1-CG 3.52Å; F312-Y424 HydrophobicContact CE1-CG 3.52Å; F312-Y424 HydrophobicContact CG-CD1 4.06Å; F312-Y424 AromaticContact CG-CE1 3.77Å; F312-Y424 HydrophobicContact CG-CE1 3.77Å; F312-Y424 HydrophobicContact CG-CE2 4.42Å; F312-Y424 HydrophobicContact CG-CG 4.49Å; F312-Y424 AromaticContact CG-CZ 3.96Å; F312-Y424 HydrophobicContact CZ-CD1 4.17Å; F312-Y424 HydrophobicContact CZ-CD2 4.3Å; F312-Y424 AromaticContact CZ-CG 3.9Å; F312-Y424 HydrophobicContact CZ-CG 3.9Å; S420-Y424 PolarHBondContact O-N 3.49Å; S420-Y424 VanDerWaalsContact O-N 3.14Å; T421-Y424 PolarHBondContact O-N 3.42Å; H422-Y424 VanDerWaalsContact C-N 3.34Å; Y424-H426 VanDerWaalsContact C-N 3.28Å; Y424-H426 PolarHBondContact O-N 2.93Å; Y424-A427 PolarHBondContact O-N 3.16Å; Y424-A428 HydrophobicContact CE1-CB 4.44Å; Y424-A428 WeakPolarHBondContact O-CB 3.37Å; Y424-A428 PolarHBondContact O-N 2.84Å
425	I	91.6	Very high	90	Very high	9 Å²	9	45 Å²	45	5%	0.046	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-39.1	179.3	-69.6	164.1	0	0	0	110.9	T189 I190 F193 T313 T421 H422 A428 D429	T189-I425 HydrophobicContact CG2-CG2 4.28Å; I190-I425 HydrophobicContact CD1-CD1 4.46Å; I190-I425 HydrophobicContact CG1-CD1 3.57Å; F193-I425 HydrophobicContact CB-CG2 3.97Å; F193-I425 HydrophobicContact CD1-CG2 4.37Å; F193-I425 HydrophobicContact CD2-CG2 4.13Å; F193-I425 HydrophobicContact CG-CG2 3.91Å; T313-I425 HydrophobicContact CG2-CD1 4.09Å; T313-I425 HydrophobicContact CG2-CG1 3.8Å; T421-I425 HydrophobicContact CG2-CD1 3.89Å; T421-I425 VanDerWaalsContact O-CG1 3.27Å; T421-I425 WeakPolarHBondContact O-CG1 3.27Å; T421-I425 PolarHBondContact O-N 3.47Å; H422-I425 PolarHBondContact O-N 3.47Å; I425-A428 PolarHBondContact O-N 3.02Å; I425-D429 VanDerWaalsContact O-CB 3.3Å; I425-D429 WeakPolarHBondContact O-CB 3.3Å; I425-D429 PolarHBondContact O-N 2.64Å
426	H	88.7	Confident	89.9	Confident	89 Å²	89	49.1 Å²	49.1	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-45.3	177.2	178.8	-83.5	0	0	0	112.3	H422 E423 Y424 T430 I662	H422-H426 WeakPolarHBondContact O-CB 3.4Å; H422-H426 PolarHBondContact O-N 3.45Å; E423-H426 PolarHBondContact O-N 3.14Å; Y424-H426 VanDerWaalsContact C-N 3.28Å; Y424-H426 PolarHBondContact O-N 2.93Å; H426-T430 PolarHBondContact O-N 3.15Å; H426-T430 VanDerWaalsContact O-N 3.1Å; H426-T430 PolarHBondContact O-OG1 2.96Å; H426-I662 WeakPolarHBondContact NE2-CD1 3.41Å
427	A	88.4	Confident	90	Very high	60 Å²	60	48.4 Å²	48.4	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-44.7	175.7	0	0	0	0	0	111.4	E423 Y424 T430 E431	E423-A427 PolarHBondContact O-N 3.19Å; E423-A427 VanDerWaalsContact O-N 3.1Å; Y424-A427 PolarHBondContact O-N 3.16Å; A427-T430 WeakPolarHBondContact O-CB 3.42Å; A427-T430 PolarHBondContact O-N 3.39Å; A427-E431 PolarHBondContact O-N 3.44Å
428	A	90.5	Very high	90	Very high	11 Å²	11	52.4 Å²	52.4	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-40.7	178.9	0	0	0	0	0	113.3	F193 Y424 I425 T430 E431 V432	F193-A428 HydrophobicContact CE2-CB 3.83Å; F193-A428 HydrophobicContact CZ-CB 3.51Å; Y424-A428 HydrophobicContact CE1-CB 4.44Å; Y424-A428 WeakPolarHBondContact O-CB 3.37Å; Y424-A428 PolarHBondContact O-N 2.84Å; I425-A428 PolarHBondContact O-N 3.02Å; A428-T430 PolarHBondContact O-N 3.46Å; A428-E431 PolarHBondContact O-N 3.06Å; A428-E431 VanDerWaalsContact O-N 3.15Å; A428-V432 WeakPolarHBondContact O-CG2 3.5Å; A428-V432 PolarHBondContact O-N 3.25Å
429	D	90.7	Very high	90	Very high	41 Å²	41	52.2 Å²	52.2	22%	0.219	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-27.1	177.3	-160.4	50.7	0	0	0	111.6	F193 H196 I425 F433	F193-D429 HydrophobicContact CD2-CB 3.84Å; F193-D429 HydrophobicContact CE2-CB 4.01Å; H196-D429 IonicContact CE1-OD1 3.18Å; H196-D429 IonicContact CE1-OD2 2.66Å; H196-D429 IonicContact CG-OD1 2.65Å; H196-D429 IonicContact ND1-OD1 2.73Å; H196-D429 PolarHBondContact ND1-OD1 3.13Å; H196-D429 IonicContact ND1-OD2 2.75Å; H196-D429 PolarHBondContact ND1-OD2 3.3Å; I425-D429 VanDerWaalsContact O-CB 3.3Å; I425-D429 WeakPolarHBondContact O-CB 3.3Å; I425-D429 PolarHBondContact O-N 2.64Å; D429-F433 VanDerWaalsContact O-CB 3.29Å; D429-F433 WeakPolarHBondContact O-CB 3.25Å; D429-F433 PolarHBondContact O-N 3.1Å
430	T	89.3	Confident	90.1	Very high	70 Å²	70	51.9 Å²	51.9	43%	0.429	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-43.7	170	-55.2	0	0	0	0	111.2	H426 A427 A428 F433 V434	H426-T430 PolarHBondContact O-N 3.15Å; H426-T430 VanDerWaalsContact O-N 3.1Å; H426-T430 PolarHBondContact O-OG1 2.96Å; A427-T430 WeakPolarHBondContact O-CB 3.42Å; A427-T430 PolarHBondContact O-N 3.39Å; A428-T430 PolarHBondContact O-N 3.46Å; T430-F433 WeakPolarHBondContact O-CB 3.38Å; T430-F433 PolarHBondContact O-N 2.78Å; T430-V434 WeakPolarHBondContact O-CG2 3.36Å; T430-V434 PolarHBondContact O-N 2.78Å
431	E	89.3	Confident	90.1	Very high	78 Å²	78	51.5 Å²	51.5	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-67.8	-43.5	174.8	-175.9	55.5	-146.9	0	0	111.7	F306 A427 A428 F433 V434 Q435	F306-E431 HydrophobicContact CE1-CG 4.38Å; A427-E431 PolarHBondContact O-N 3.44Å; A428-E431 PolarHBondContact O-N 3.06Å; A428-E431 VanDerWaalsContact O-N 3.15Å; E431-F433 PolarHBondContact O-N 3.35Å; E431-V434 PolarHBondContact O-N 2.8Å; E431-V434 VanDerWaalsContact O-N 3.15Å; E431-Q435 WeakPolarHBondContact O-CG 3.38Å; E431-Q435 PolarHBondContact O-N 3.43Å; E431-Q435 WeakPolarHBondContact OE1-CG 3.3Å; E431-Q435 PolarHBondContact OE1-NE2 2.92Å
432	V	88.9	Confident	90.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.4	-39.7	171.8	174.2	0	0	0	0	111	F193 H196 I197 F306 A428 R436	F193-V432 HydrophobicContact CE2-CG2 4Å; H196-V432 HydrophobicContact CB-CG1 3.99Å; I197-V432 HydrophobicContact CG1-CG2 3.81Å; F306-V432 HydrophobicContact CD1-CG2 3.72Å; F306-V432 HydrophobicContact CE1-CB 4.19Å; F306-V432 HydrophobicContact CE1-CG2 3.26Å; F306-V432 HydrophobicContact CZ-CB 4.33Å; F306-V432 HydrophobicContact CZ-CG2 3.78Å; A428-V432 WeakPolarHBondContact O-CG2 3.5Å; A428-V432 PolarHBondContact O-N 3.25Å; V432-R436 HydrophobicContact CG1-CG 4.33Å; V432-R436 VanDerWaalsContact O-CB 3.31Å; V432-R436 WeakPolarHBondContact O-CB 3.09Å; V432-R436 WeakPolarHBondContact O-CD 3.27Å; V432-R436 WeakPolarHBondContact O-CG 3.44Å; V432-R436 PolarHBondContact O-N 3.14Å
433	F	90.1	Very high	90.2	Very high	125 Å²	125	53 Å²	53	55%	0.548	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-47.4	176.1	176	-91.9	0	0	0	112.1	D429 T430 E431 Q435 R436 E437	D429-F433 VanDerWaalsContact O-CB 3.29Å; D429-F433 WeakPolarHBondContact O-CB 3.25Å; D429-F433 PolarHBondContact O-N 3.1Å; T430-F433 WeakPolarHBondContact O-CB 3.38Å; T430-F433 PolarHBondContact O-N 2.78Å; E431-F433 PolarHBondContact O-N 3.35Å; F433-Q435 VanDerWaalsContact C-N 3.35Å; F433-Q435 PolarHBondContact O-N 3.1Å; F433-R436 WeakPolarHBondContact O-CB 3.31Å; F433-R436 PolarHBondContact O-N 3.44Å; F433-E437 PolarHBondContact O-N 3.04Å
434	V	89.7	Confident	90.3	Very high	56 Å²	56	55.9 Å²	55.9	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-46.5	176.3	170.5	0	0	0	0	111.1	T430 E431 R436 E437 R438	T430-V434 WeakPolarHBondContact O-CG2 3.36Å; T430-V434 PolarHBondContact O-N 2.78Å; E431-V434 PolarHBondContact O-N 2.8Å; E431-V434 VanDerWaalsContact O-N 3.15Å; V434-R436 VanDerWaalsContact C-N 3.34Å; V434-R436 PolarHBondContact O-N 3.08Å; V434-E437 PolarHBondContact O-N 3.41Å; V434-R438 WeakPolarHBondContact O-CG 3.16Å; V434-R438 PolarHBondContact O-N 3.2Å
435	Q	90.1	Very high	90.2	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-35.3	178.1	-62.2	-60.3	-18.8	0	0	112.5	F200 V302 F306 E431 F433 V439	F200-Q435 HydrophobicContact CD2-CB 4.14Å; F200-Q435 HydrophobicContact CE2-CB 3.6Å; F200-Q435 HydrophobicContact CZ-CB 3.97Å; V302-Q435 HydrophobicContact CG1-CG 4.08Å; F306-Q435 HydrophobicContact CE2-CB 4.37Å; F306-Q435 HydrophobicContact CE2-CG 4.28Å; F306-Q435 HydrophobicContact CZ-CB 4.16Å; F306-Q435 HydrophobicContact CZ-CG 3.86Å; E431-Q435 WeakPolarHBondContact O-CG 3.38Å; E431-Q435 PolarHBondContact O-N 3.43Å; E431-Q435 WeakPolarHBondContact OE1-CG 3.3Å; E431-Q435 PolarHBondContact OE1-NE2 2.92Å; F433-Q435 VanDerWaalsContact C-N 3.35Å; F433-Q435 PolarHBondContact O-N 3.1Å; Q435-V439 WeakPolarHBondContact O-CG2 3.48Å; Q435-V439 PolarHBondContact O-N 3.4Å
436	R	90.6	Very high	90.2	Very high	91 Å²	91	54.6 Å²	54.6	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-39	173.5	-78.4	169.5	58.6	-169.1	-5.8	113	F200 V432 F433 V434 V439 A440	F200-R436 HydrophobicContact CB-CG 3.92Å; F200-R436 HydrophobicContact CD2-CG 4.04Å; F200-R436 HydrophobicContact CG-CG 4.41Å; V432-R436 HydrophobicContact CG1-CG 4.33Å; V432-R436 VanDerWaalsContact O-CB 3.31Å; V432-R436 WeakPolarHBondContact O-CB 3.09Å; V432-R436 WeakPolarHBondContact O-CD 3.27Å; V432-R436 WeakPolarHBondContact O-CG 3.44Å; V432-R436 PolarHBondContact O-N 3.14Å; F433-R436 WeakPolarHBondContact O-CB 3.31Å; F433-R436 PolarHBondContact O-N 3.44Å; V434-R436 VanDerWaalsContact C-N 3.34Å; V434-R436 PolarHBondContact O-N 3.08Å; R436-V439 PolarHBondContact O-N 2.98Å; R436-A440 PolarHBondContact O-N 2.86Å
437	E	89.4	Confident	90.3	Very high	78 Å²	78	54.3 Å²	54.3	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-73.6	-36.7	177.5	-166.1	58.2	-154.7	0	0	111.5	F433 V434 V439 A440 V441 R444	F433-E437 PolarHBondContact O-N 3.04Å; V434-E437 PolarHBondContact O-N 3.41Å; E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 3.31Å; E437-A440 WeakPolarHBondContact O-CB 3.26Å; E437-A440 PolarHBondContact O-N 3.39Å; E437-V441 WeakPolarHBondContact O-CG2 3.42Å; E437-V441 PolarHBondContact O-N 2.89Å; E437-R444 IonicContact OE1-CZ 3.85Å; E437-R444 IonicContact OE1-NH1 3.85Å; E437-R444 IonicContact OE1-NH2 3.77Å; E437-R444 PolarHBondContact OE1-NH2 3.45Å
438	R	90.8	Very high	90.4	Very high	103 Å²	103	52.8 Å²	52.8	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-54.3	-47.7	168.4	-72.1	173.4	-178.9	-89.5	4.5	111.6	V297 V434 A440 V441 L442	V297-R438 HydrophobicContact CG2-CB 4.13Å; V434-R438 WeakPolarHBondContact O-CG 3.16Å; V434-R438 PolarHBondContact O-N 3.2Å; R438-A440 VanDerWaalsContact C-N 3.34Å; R438-A440 PolarHBondContact O-N 3.37Å; R438-V441 PolarHBondContact O-N 2.87Å; R438-L442 WeakPolarHBondContact O-CB 3.23Å; R438-L442 PolarHBondContact O-N 2.98Å
439	V	92.5	Very high	90.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-40	173.8	167.1	0	0	0	0	112.1	F200 K203 L207 V297 Q435 R436 E437 I443	F200-V439 HydrophobicContact CD2-CG2 4.1Å; F200-V439 HydrophobicContact CE2-CG2 3.61Å; K203-V439 HydrophobicContact CB-CG1 3.84Å; K203-V439 HydrophobicContact CD-CG1 3.94Å; L207-V439 HydrophobicContact CD1-CG1 4.35Å; L207-V439 HydrophobicContact CD1-CG2 4.27Å; V297-V439 HydrophobicContact CB-CG2 4.49Å; V297-V439 HydrophobicContact CG1-CG2 3.57Å; V297-V439 HydrophobicContact CG2-CG2 4Å; Q435-V439 WeakPolarHBondContact O-CG2 3.48Å; Q435-V439 PolarHBondContact O-N 3.4Å; R436-V439 PolarHBondContact O-N 2.98Å; E437-V439 VanDerWaalsContact C-N 3.32Å; E437-V439 PolarHBondContact O-N 3.31Å; V439-I443 HydrophobicContact CG1-CD1 3.72Å; V439-I443 HydrophobicContact CG1-CG1 4.43Å; V439-I443 WeakPolarHBondContact O-CB 3.43Å; V439-I443 VanDerWaalsContact O-CG1 3.25Å; V439-I443 WeakPolarHBondContact O-CG1 3.19Å; V439-I443 PolarHBondContact O-N 3.17Å
440	A	90.2	Very high	90.3	Very high	23 Å²	23	52.8 Å²	52.8	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-44.6	178.3	0	0	0	0	0	112.1	R436 E437 R438 I443 R444	R436-A440 PolarHBondContact O-N 2.86Å; E437-A440 WeakPolarHBondContact O-CB 3.26Å; E437-A440 PolarHBondContact O-N 3.39Å; R438-A440 VanDerWaalsContact C-N 3.34Å; R438-A440 PolarHBondContact O-N 3.37Å; A440-I443 PolarHBondContact O-N 2.82Å; A440-R444 WeakPolarHBondContact O-CG 3.25Å; A440-R444 PolarHBondContact O-N 2.8Å
441	V	88.9	Confident	90.4	Very high	40 Å²	40	54.7 Å²	54.7	24%	0.242	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-46.1	175.3	171.6	0	0	0	0	111	E437 R438 I443 R444 R445	E437-V441 WeakPolarHBondContact O-CG2 3.42Å; E437-V441 PolarHBondContact O-N 2.89Å; R438-V441 PolarHBondContact O-N 2.87Å; V441-I443 PolarHBondContact O-N 2.83Å; V441-R444 PolarHBondContact O-N 3.15Å; V441-R445 WeakPolarHBondContact O-CG 3.27Å; V441-R445 PolarHBondContact O-N 3.5Å
442	L	92.8	Very high	90.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-44.6	175.4	176.1	56.7	0	0	0	111.8	L207 I290 D293 L294 V297 R438 R444 R445 L446	L207-L442 HydrophobicContact CD1-CD2 3.78Å; L207-L442 HydrophobicContact CD2-CD2 4.06Å; L207-L442 HydrophobicContact CD2-CG 4.41Å; I290-L442 HydrophobicContact CB-CD1 4.37Å; I290-L442 HydrophobicContact CG1-CD1 4.44Å; I290-L442 HydrophobicContact CG2-CD1 3.93Å; D293-L442 HydrophobicContact CB-CB 4.25Å; D293-L442 HydrophobicContact CB-CD1 4.07Å; D293-L442 HydrophobicContact CB-CD2 4.32Å; D293-L442 HydrophobicContact CB-CG 4.44Å; L294-L442 HydrophobicContact CB-CD2 4.22Å; L294-L442 HydrophobicContact CD1-CD2 4.1Å; V297-L442 HydrophobicContact CG2-CD2 4.48Å; R438-L442 WeakPolarHBondContact O-CB 3.23Å; R438-L442 PolarHBondContact O-N 2.98Å; L442-R444 PolarHBondContact O-N 2.87Å; L442-R445 PolarHBondContact O-N 3.49Å; L442-L446 HydrophobicContact CD1-CD1 4.31Å; L442-L446 HydrophobicContact CD1-CG 4.17Å; L442-L446 HydrophobicContact CG-CD1 4.24Å; L442-L446 VanDerWaalsContact O-CG 3.32Å; L442-L446 WeakPolarHBondContact O-CG 3.29Å; L442-L446 PolarHBondContact O-N 3.32Å
443	I	91.7	Very high	90.5	Very high	59 Å²	59	54.8 Å²	54.8	30%	0.303	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-40.6	176.3	-71.2	168	0	0	0	111.5	K203 V439 A440 V441 R445 L446 E447	K203-I443 HydrophobicContact CD-CD1 4.21Å; V439-I443 HydrophobicContact CG1-CD1 3.72Å; V439-I443 HydrophobicContact CG1-CG1 4.43Å; V439-I443 WeakPolarHBondContact O-CB 3.43Å; V439-I443 VanDerWaalsContact O-CG1 3.25Å; V439-I443 WeakPolarHBondContact O-CG1 3.19Å; V439-I443 PolarHBondContact O-N 3.17Å; A440-I443 PolarHBondContact O-N 2.82Å; V441-I443 PolarHBondContact O-N 2.83Å; I443-R445 PolarHBondContact O-N 3.19Å; I443-L446 PolarHBondContact O-N 3.24Å; I443-E447 WeakPolarHBondContact O-CB 3.44Å; I443-E447 PolarHBondContact O-N 3.07Å
444	R	89.4	Confident	90.5	Very high	153 Å²	153	51.1 Å²	51.1	58%	0.577	23%	0.234	S	C	*	.	H	α-helix	trans	-61.4	-42	174.1	-67.6	175.3	-154.3	154	17.2	111.5	E437 A440 V441 L442 E447 L448	E437-R444 IonicContact OE1-CZ 3.85Å; E437-R444 IonicContact OE1-NH1 3.85Å; E437-R444 IonicContact OE1-NH2 3.77Å; E437-R444 PolarHBondContact OE1-NH2 3.45Å; A440-R444 WeakPolarHBondContact O-CG 3.25Å; A440-R444 PolarHBondContact O-N 2.8Å; V441-R444 PolarHBondContact O-N 3.15Å; L442-R444 PolarHBondContact O-N 2.87Å; R444-E447 PolarHBondContact O-N 3.22Å; R444-L448 PolarHBondContact O-N 3.25Å
445	R	90.4	Very high	90.6	Very high	47 Å²	47	49.4 Å²	49.4	18%	0.177	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-40.9	176.9	-71.1	173.1	178.1	168.9	-0.6	112.7	M281 L286 I290 D293 V441 L442 I443 E447 L448 M449	M281-R445 HydrophobicContact SD-CG 4.25Å; L286-R445 HydrophobicContact CD1-CB 3.81Å; L286-R445 HydrophobicContact CD1-CG 3.95Å; I290-R445 HydrophobicContact CD1-CB 4.13Å; I290-R445 HydrophobicContact CG1-CB 3.74Å; D293-R445 IonicContact OD1-NH1 3.18Å; D293-R445 IonicContact OD2-CZ 3.82Å; D293-R445 IonicContact OD2-NH1 2.8Å; D293-R445 PolarHBondContact OD2-NH1 2.97Å; V441-R445 WeakPolarHBondContact O-CG 3.27Å; V441-R445 PolarHBondContact O-N 3.5Å; L442-R445 PolarHBondContact O-N 3.49Å; I443-R445 PolarHBondContact O-N 3.19Å; R445-E447 VanDerWaalsContact C-N 3.31Å; R445-E447 PolarHBondContact O-N 3.34Å; R445-L448 PolarHBondContact O-N 3.48Å; R445-M449 PolarHBondContact O-N 3.15Å
446	L	92.4	Very high	90.7	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-35.8	173.2	-69.9	173.6	0	0	0	112.1	L207 I214 I290 L442 I443 M449 K450	L207-L446 HydrophobicContact CD2-CD1 3.73Å; I214-L446 HydrophobicContact CB-CD2 4.45Å; I214-L446 HydrophobicContact CD1-CD1 3.85Å; I214-L446 HydrophobicContact CD1-CD2 4.22Å; I214-L446 HydrophobicContact CG1-CD1 4.38Å; I214-L446 HydrophobicContact CG1-CD2 4Å; I214-L446 HydrophobicContact CG2-CD2 3.66Å; I290-L446 HydrophobicContact CD1-CD2 4.38Å; I290-L446 HydrophobicContact CG2-CD2 3.78Å; L442-L446 HydrophobicContact CD1-CD1 4.31Å; L442-L446 HydrophobicContact CD1-CG 4.17Å; L442-L446 HydrophobicContact CG-CD1 4.24Å; L442-L446 VanDerWaalsContact O-CG 3.32Å; L442-L446 WeakPolarHBondContact O-CG 3.29Å; L442-L446 PolarHBondContact O-N 3.32Å; I443-L446 PolarHBondContact O-N 3.24Å; L446-M449 HydrophobicContact CD2-CE 3.68Å; L446-M449 PolarHBondContact O-N 3.4Å; L446-K450 WeakPolarHBondContact O-CG 3.44Å; L446-K450 PolarHBondContact O-N 3.23Å; L446-K450 VanDerWaalsContact O-N 3.16Å
447	E	90.5	Very high	90.7	Very high	84 Å²	84	49.4 Å²	49.4	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-69.9	-40.9	174.8	-174.3	53.4	-146.1	0	0	111.9	I443 R444 R445 M449 K450 Q451	I443-E447 WeakPolarHBondContact O-CB 3.44Å; I443-E447 PolarHBondContact O-N 3.07Å; R444-E447 PolarHBondContact O-N 3.22Å; R445-E447 VanDerWaalsContact C-N 3.31Å; R445-E447 PolarHBondContact O-N 3.34Å; E447-M449 VanDerWaalsContact C-N 3.32Å; E447-M449 PolarHBondContact O-N 3.07Å; E447-K450 WeakPolarHBondContact O-CB 3.45Å; E447-K450 PolarHBondContact O-N 2.81Å; E447-K450 WeakPolarHBondContact OE2-CD 3.46Å; E447-K450 IonicContact OE2-NZ 3.61Å; E447-Q451 WeakPolarHBondContact O-CG 3.42Å; E447-Q451 PolarHBondContact O-N 3.23Å
448	L	89.9	Confident	90.8	Very high	28 Å²	28	50.5 Å²	50.5	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-44.5	170.2	178	67.4	0	0	0	111.7	M281 L286 R444 R445 K450 Q451 L452	M281-L448 HydrophobicContact CE-CD2 3.49Å; M281-L448 VanDerWaalsContact CE-CD2 3.49Å; M281-L448 HydrophobicContact CG-CD2 4.45Å; M281-L448 HydrophobicContact SD-CD2 3.52Å; M281-L448 VanDerWaalsContact SD-CD2 3.52Å; L286-L448 HydrophobicContact CD1-CD2 4.12Å; L286-L448 HydrophobicContact CD2-CD2 3.81Å; L286-L448 HydrophobicContact CD2-CG 4.12Å; R444-L448 PolarHBondContact O-N 3.25Å; R445-L448 PolarHBondContact O-N 3.48Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-K450 PolarHBondContact O-N 3.21Å; L448-Q451 CarbonylContact O-C 3.56Å; L448-Q451 WeakPolarHBondContact O-CA 3.43Å; L448-Q451 WeakPolarHBondContact O-CB 3.35Å; L448-Q451 PolarHBondContact O-N 2.9Å; L448-L452 HydrophobicContact CD1-CG 4.34Å; L448-L452 HydrophobicContact CG-CD1 4.15Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CG 3.25Å; L448-L452 PolarHBondContact O-N 3Å
449	M	89.9	Confident	90.8	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-38.9	177.4	-177.4	175.1	64	0	0	112.1	M217 L218 L221 L286 I290 R445 L446 E447 R453	M217-M449 HydrophobicContact CB-CE 3.59Å; M217-M449 HydrophobicContact CB-SD 3.99Å; M217-M449 HydrophobicContact CE-CE 3.75Å; M217-M449 HydrophobicContact CG-CE 4.42Å; M217-M449 HydrophobicContact SD-CE 4.05Å; L218-M449 HydrophobicContact CD2-SD 3.78Å; L218-M449 HydrophobicContact CG-SD 4.05Å; L221-M449 HydrophobicContact CD1-CG 4.39Å; L286-M449 HydrophobicContact CD2-CB 4.41Å; I290-M449 HydrophobicContact CD1-CB 4.32Å; I290-M449 HydrophobicContact CD1-SD 4.18Å; R445-M449 PolarHBondContact O-N 3.15Å; L446-M449 HydrophobicContact CD2-CE 3.68Å; L446-M449 PolarHBondContact O-N 3.4Å; E447-M449 VanDerWaalsContact C-N 3.32Å; E447-M449 PolarHBondContact O-N 3.07Å; M449-R453 PolarHBondContact O-N 3.39Å
450	K	89.9	Confident	90.8	Very high	49 Å²	49	46.7 Å²	46.7	21%	0.213	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-39.3	172.2	-68.6	171.1	-174.9	172.4	0	112.3	L446 E447 L448 R453 V454	L446-K450 WeakPolarHBondContact O-CG 3.44Å; L446-K450 PolarHBondContact O-N 3.23Å; L446-K450 VanDerWaalsContact O-N 3.16Å; E447-K450 WeakPolarHBondContact O-CB 3.45Å; E447-K450 PolarHBondContact O-N 2.81Å; E447-K450 WeakPolarHBondContact OE2-CD 3.46Å; E447-K450 IonicContact OE2-NZ 3.61Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-K450 PolarHBondContact O-N 3.21Å; K450-R453 WeakPolarHBondContact O-CB 3.47Å; K450-R453 PolarHBondContact O-N 2.84Å; K450-V454 WeakPolarHBondContact O-CG2 3.41Å; K450-V454 PolarHBondContact O-N 3.36Å
451	Q	91.1	Very high	90.8	Very high	111 Å²	111	50.3 Å²	50.3	52%	0.519	23%	0.233	S	C	.	.	H	α-helix	trans	-66.1	-44.6	177.4	-68.9	174.5	20.8	0	0	111.5	E447 L448 R453 V454 A455	E447-Q451 WeakPolarHBondContact O-CG 3.42Å; E447-Q451 PolarHBondContact O-N 3.23Å; L448-Q451 CarbonylContact O-C 3.56Å; L448-Q451 WeakPolarHBondContact O-CA 3.43Å; L448-Q451 WeakPolarHBondContact O-CB 3.35Å; L448-Q451 PolarHBondContact O-N 2.9Å; Q451-R453 VanDerWaalsContact C-N 3.33Å; Q451-R453 PolarHBondContact O-N 3.2Å; Q451-V454 PolarHBondContact O-N 3.36Å; Q451-V454 VanDerWaalsContact O-N 3.1Å; Q451-A455 WeakPolarHBondContact O-CB 3.36Å; Q451-A455 PolarHBondContact O-N 3.42Å
452	L	91.1	Very high	91	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-54.8	-46.5	174.6	-69.6	170.8	0	0	0	111.4	L221 L225 I228 I274 V283 L286 L448 V454 A455 P456	L221-L452 HydrophobicContact CD1-CD1 4.24Å; L225-L452 HydrophobicContact CD2-CD1 4.27Å; I228-L452 HydrophobicContact CD1-CB 3.95Å; I228-L452 HydrophobicContact CD1-CD2 3.73Å; I228-L452 HydrophobicContact CD1-CG 4.44Å; I228-L452 WeakPolarHBondContact CD1-O 3.42Å; I274-L452 HydrophobicContact CD1-CD2 4.28Å; I274-L452 HydrophobicContact CG2-CD2 4.05Å; V283-L452 HydrophobicContact CG1-CD1 3.95Å; V283-L452 HydrophobicContact CG1-CD2 4.22Å; L286-L452 HydrophobicContact CD2-CD1 3.56Å; L448-L452 HydrophobicContact CD1-CG 4.34Å; L448-L452 HydrophobicContact CG-CD1 4.15Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CG 3.25Å; L448-L452 PolarHBondContact O-N 3Å; L452-V454 PolarHBondContact O-N 3Å; L452-A455 PolarHBondContact O-N 3.17Å; L452-P456 WeakPolarHBondContact O-CD 3.47Å
453	R	89.8	Confident	90.9	Very high	76 Å²	76	50.9 Å²	50.9	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-54.4	-36	177.2	-176.6	-176.5	74.3	97.7	-0.7	113.6	Y224 M449 K450 Q451 T608	Y224-R453 HydrophobicContact CD1-CG 4.26Å; Y224-R453 HydrophobicContact CD2-CB 4.16Å; Y224-R453 HydrophobicContact CD2-CG 4.34Å; Y224-R453 HydrophobicContact CE1-CG 3.82Å; Y224-R453 HydrophobicContact CE2-CB 4.11Å; Y224-R453 HydrophobicContact CE2-CG 3.93Å; Y224-R453 HydrophobicContact CG-CB 4.44Å; M449-R453 PolarHBondContact O-N 3.39Å; K450-R453 WeakPolarHBondContact O-CB 3.47Å; K450-R453 PolarHBondContact O-N 2.84Å; Q451-R453 VanDerWaalsContact C-N 3.33Å; Q451-R453 PolarHBondContact O-N 3.2Å; R453-T608 PolarHBondContact NH1-OG1 2.91Å
454	V	90.4	Very high	90.9	Very high	49 Å²	49	48.3 Å²	48.3	30%	0.297	23%	0.229	S	C	.	.	H	α-helix	trans	-98.9	-17.4	-173.9	-169.3	0	0	0	0	112.2	K450 Q451 L452 Y457 L458	K450-V454 WeakPolarHBondContact O-CG2 3.41Å; K450-V454 PolarHBondContact O-N 3.36Å; Q451-V454 PolarHBondContact O-N 3.36Å; Q451-V454 VanDerWaalsContact O-N 3.1Å; L452-V454 PolarHBondContact O-N 3Å; V454-Y457 PolarHBondContact O-N 3.22Å; V454-L458 HydrophobicContact CB-CD1 4.36Å; V454-L458 HydrophobicContact CG1-CD1 3.65Å; V454-L458 HydrophobicContact CG1-CG 3.88Å; V454-L458 PolarHBondContact O-N 2.85Å; V454-L458 VanDerWaalsContact O-N 3.15Å
455	A	91.7	Very high	90.9	Very high	20 Å²	20	43.9 Å²	43.9	17%	0.165	22%	0.215	C	C	.	.	H	α-helix	trans	-53.2	-43.6	-176.4	0	0	0	0	0	114.9	Q451 L452 Y457 L458 Y459	Q451-A455 WeakPolarHBondContact O-CB 3.36Å; Q451-A455 PolarHBondContact O-N 3.42Å; L452-A455 PolarHBondContact O-N 3.17Å; A455-Y457 VanDerWaalsContact C-N 3.35Å; A455-Y457 PolarHBondContact O-N 2.95Å; A455-L458 PolarHBondContact O-N 3.08Å; A455-Y459 WeakPolarHBondContact O-CB 3.16Å; A455-Y459 PolarHBondContact O-N 3Å
456	P	90.9	Very high	91	Very high	2 Å²	2	43 Å²	43	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-56.3	-45.6	177.9	-29	37.4	0	0	0	113.7	L227 I228 L231 L452 A460 L554	L227-P456 HydrophobicContact CB-CG 4.3Å; I228-P456 HydrophobicContact CG1-CG 3.71Å; L231-P456 HydrophobicContact CD1-CB 3.7Å; L231-P456 HydrophobicContact CD1-CG 4.3Å; L452-P456 WeakPolarHBondContact O-CD 3.47Å; P456-A460 PolarHBondContact O-N 3.09Å; P456-A460 VanDerWaalsContact O-N 3.15Å; P456-L554 HydrophobicContact CB-CD1 4.34Å
457	Y	90.7	Very high	90.9	Very high	103 Å²	103	43.4 Å²	43.4	40%	0.404	22%	0.215	S	C	.	.	H	α-helix	trans	-70.7	-46	-177.2	-56.8	-82.8	0	0	0	111.6	V454 A455 Y459 A460 Q461 L554	V454-Y457 PolarHBondContact O-N 3.22Å; A455-Y457 VanDerWaalsContact C-N 3.35Å; A455-Y457 PolarHBondContact O-N 2.95Å; Y457-Y459 VanDerWaalsContact C-N 3.34Å; Y457-Y459 PolarHBondContact O-N 3.02Å; Y457-A460 PolarHBondContact O-N 3.19Å; Y457-Q461 WeakPolarHBondContact O-CB 3.35Å; Y457-Q461 VanDerWaalsContact O-CG 3.29Å; Y457-Q461 WeakPolarHBondContact O-CG 3.43Å; Y457-Q461 PolarHBondContact O-N 3.22Å; Y457-L554 HydrophobicContact CD1-CD2 3.37Å; Y457-L554 HydrophobicContact CE1-CD2 3.47Å; Y457-L554 VanDerWaalsContact CE1-CD2 3.47Å; Y457-L554 HydrophobicContact CG-CD2 4.13Å
458	L	91.4	Very high	90.9	Very high	100 Å²	100	42.1 Å²	42.1	52%	0.524	21%	0.206	S	C	.	.	H	α-helix	trans	-65	-37.9	178.2	-76.1	170.3	0	0	0	112.1	V454 A455 Q461 A462	V454-L458 HydrophobicContact CB-CD1 4.36Å; V454-L458 HydrophobicContact CG1-CD1 3.65Å; V454-L458 HydrophobicContact CG1-CG 3.88Å; V454-L458 PolarHBondContact O-N 2.85Å; V454-L458 VanDerWaalsContact O-N 3.15Å; A455-L458 PolarHBondContact O-N 3.08Å; L458-Q461 PolarHBondContact O-N 3.41Å; L458-A462 VanDerWaalsContact O-CB 3.24Å; L458-A462 WeakPolarHBondContact O-CB 3.29Å; L458-A462 PolarHBondContact O-N 2.88Å
459	Y	92.4	Very high	91	Very high	25 Å²	25	45.8 Å²	45.8	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-52	174.5	176.4	-106	0	0	0	111.4	L231 P232 L233 V234 L237 L270 A455 Y457 Q461 A462 V463 I547	L231-Y459 HydrophobicContact CD1-CD1 4.14Å; L231-Y459 HydrophobicContact CD2-CD1 4.49Å; P232-Y459 PolarHBondContact O-OH 3.2Å; L233-Y459 VanDerWaalsContact CA-OH 3.31Å; L233-Y459 WeakPolarHBondContact CA-OH 3.49Å; L233-Y459 HydrophobicContact CD2-CE2 4.35Å; V234-Y459 WeakPolarHBondContact CG2-OH 3.48Å; V234-Y459 PolarHBondContact N-OH 3.45Å; V234-Y459 VanDerWaalsContact N-OH 3.07Å; L237-Y459 HydrophobicContact CD1-CE2 3.72Å; L270-Y459 HydrophobicContact CD1-CD2 4.13Å; L270-Y459 HydrophobicContact CD1-CE2 4.39Å; L270-Y459 HydrophobicContact CD2-CD1 4.23Å; L270-Y459 HydrophobicContact CD2-CD2 4.33Å; L270-Y459 HydrophobicContact CD2-CG 3.91Å; A455-Y459 WeakPolarHBondContact O-CB 3.16Å; A455-Y459 PolarHBondContact O-N 3Å; Y457-Y459 VanDerWaalsContact C-N 3.34Å; Y457-Y459 PolarHBondContact O-N 3.02Å; Y459-Q461 PolarHBondContact O-N 3.21Å; Y459-A462 PolarHBondContact O-N 3.15Å; Y459-V463 HydrophobicContact CD2-CG2 4.44Å; Y459-V463 HydrophobicContact CE1-CG2 4.38Å; Y459-V463 HydrophobicContact CE2-CG2 4.12Å; Y459-V463 WeakPolarHBondContact O-CG2 3.31Å; Y459-V463 PolarHBondContact O-N 3.38Å; Y459-I547 HydrophobicContact CE1-CD1 3.89Å; Y459-I547 HydrophobicContact CE1-CG1 4.43Å
460	A	91	Very high	91	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-42.4	178	0	0	0	0	0	112.7	P456 Y457 V463 A464 L554 C557 L558	P456-A460 PolarHBondContact O-N 3.09Å; P456-A460 VanDerWaalsContact O-N 3.15Å; Y457-A460 PolarHBondContact O-N 3.19Å; A460-V463 PolarHBondContact O-N 3.43Å; A460-A464 WeakPolarHBondContact O-CB 3.41Å; A460-A464 PolarHBondContact O-N 2.97Å; A460-L554 HydrophobicContact CB-CB 4.21Å; A460-L554 HydrophobicContact CB-CD1 3.83Å; A460-C557 HydrophobicContact CB-CB 4.03Å; A460-L558 HydrophobicContact CB-CD2 3.94Å
461	Q	90.8	Very high	90.9	Very high	99 Å²	99	44.8 Å²	44.8	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-41.5	175.5	-72.1	178.8	6.2	0	0	112.3	Y457 L458 Y459 A464 E465 C557	Y457-Q461 WeakPolarHBondContact O-CB 3.35Å; Y457-Q461 VanDerWaalsContact O-CG 3.29Å; Y457-Q461 WeakPolarHBondContact O-CG 3.43Å; Y457-Q461 PolarHBondContact O-N 3.22Å; L458-Q461 PolarHBondContact O-N 3.41Å; Y459-Q461 PolarHBondContact O-N 3.21Å; Q461-A464 PolarHBondContact O-N 2.92Å; Q461-E465 VanDerWaalsContact O-CB 3.23Å; Q461-E465 WeakPolarHBondContact O-CB 3.42Å; Q461-E465 PolarHBondContact O-N 3.44Å; Q461-C557 HydrophobicContact CG-CB 3.8Å
462	A	92	Very high	90.9	Very high	50 Å²	50	42 Å²	42	41%	0.413	21%	0.205	S	C	.	.	H	α-helix	trans	-65.3	-42.8	178.5	0	0	0	0	0	112.2	L458 Y459 E465 I466	L458-A462 VanDerWaalsContact O-CB 3.24Å; L458-A462 WeakPolarHBondContact O-CB 3.29Å; L458-A462 PolarHBondContact O-N 2.88Å; Y459-A462 PolarHBondContact O-N 3.15Å; A462-E465 PolarHBondContact O-N 3.31Å; A462-I466 WeakPolarHBondContact O-CG1 3.48Å; A462-I466 PolarHBondContact O-N 3.05Å
463	V	91.9	Very high	90.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-45	175.6	176.9	0	0	0	0	110.9	V234 L237 Y459 A460 I466 K467 I539 L544 I547	V234-V463 HydrophobicContact CG2-CG1 4.33Å; V234-V463 HydrophobicContact CG2-CG2 4.36Å; L237-V463 HydrophobicContact CD1-CG2 3.99Å; Y459-V463 HydrophobicContact CD2-CG2 4.44Å; Y459-V463 HydrophobicContact CE1-CG2 4.38Å; Y459-V463 HydrophobicContact CE2-CG2 4.12Å; Y459-V463 WeakPolarHBondContact O-CG2 3.31Å; Y459-V463 PolarHBondContact O-N 3.38Å; A460-V463 PolarHBondContact O-N 3.43Å; V463-I466 PolarHBondContact O-N 3.39Å; V463-K467 PolarHBondContact O-N 3.27Å; V463-I539 HydrophobicContact CB-CD1 4.43Å; V463-I539 HydrophobicContact CG1-CD1 3.89Å; V463-I539 HydrophobicContact CG1-CG2 3.84Å; V463-L544 HydrophobicContact CG1-CD2 3.69Å; V463-I547 HydrophobicContact CB-CD1 4.08Å; V463-I547 HydrophobicContact CG1-CD1 3.78Å; V463-I547 HydrophobicContact CG2-CD1 3.97Å
464	A	90.6	Very high	90.9	Very high	6 Å²	6	47.8 Å²	47.8	5%	0.05	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-40.6	176.4	0	0	0	0	0	112.5	A460 Q461 K467 R468 L544 L560	A460-A464 WeakPolarHBondContact O-CB 3.41Å; A460-A464 PolarHBondContact O-N 2.97Å; Q461-A464 PolarHBondContact O-N 2.92Å; A464-K467 WeakPolarHBondContact O-CB 3.45Å; A464-K467 PolarHBondContact O-N 2.95Å; A464-R468 PolarHBondContact O-N 2.97Å; A464-L544 HydrophobicContact CB-CD2 4.29Å; A464-L560 HydrophobicContact CB-CD2 4.14Å; A464-L560 WeakPolarHBondContact O-CD2 3.37Å
465	E	90.1	Very high	90.8	Very high	59 Å²	59	49.9 Å²	49.9	28%	0.276	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-39.9	177.2	173.7	59.4	-169.7	0	0	112	Q461 A462 K467 R468 R469	Q461-E465 VanDerWaalsContact O-CB 3.23Å; Q461-E465 WeakPolarHBondContact O-CB 3.42Å; Q461-E465 PolarHBondContact O-N 3.44Å; A462-E465 PolarHBondContact O-N 3.31Å; E465-K467 VanDerWaalsContact C-N 3.33Å; E465-K467 PolarHBondContact O-N 2.85Å; E465-R468 PolarHBondContact O-N 3.49Å; E465-R468 IonicContact OE1-CZ 3.48Å; E465-R468 IonicContact OE1-NE 3.77Å; E465-R468 IonicContact OE1-NH2 3.65Å; E465-R468 PolarHBondContact OE1-NH2 3.21Å; E465-R468 IonicContact OE2-CZ 3.49Å; E465-R468 IonicContact OE2-NE 3.41Å; E465-R468 PolarHBondContact OE2-NE 3.43Å; E465-R468 IonicContact OE2-NH2 3.3Å; E465-R468 PolarHBondContact OE2-NH2 3.46Å; E465-R469 WeakPolarHBondContact O-CG 3.32Å; E465-R469 PolarHBondContact O-N 2.87Å; E465-R469 IonicContact OE1-CZ 3.41Å; E465-R469 IonicContact OE1-NE 2.84Å; E465-R469 PolarHBondContact OE1-NE 3.4Å; E465-R469 IonicContact OE1-NH2 2.66Å; E465-R469 PolarHBondContact OE1-NH2 2.98Å
466	I	92	Very high	90.9	Very high	28 Å²	28	52.4 Å²	52.4	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-46.1	172.3	-69.3	164.3	0	0	0	110	L237 A462 V463 R468 R469 Q470 L536 I539	L237-I466 HydrophobicContact CD2-CD1 4Å; A462-I466 WeakPolarHBondContact O-CG1 3.48Å; A462-I466 PolarHBondContact O-N 3.05Å; V463-I466 PolarHBondContact O-N 3.39Å; I466-R468 VanDerWaalsContact C-N 3.34Å; I466-R468 PolarHBondContact O-N 3.35Å; I466-R469 PolarHBondContact O-N 3.4Å; I466-Q470 WeakPolarHBondContact O-CG 3.47Å; I466-Q470 PolarHBondContact O-N 2.86Å; I466-L536 HydrophobicContact CG2-CB 4.34Å; I466-I539 HydrophobicContact CB-CD1 3.85Å; I466-I539 HydrophobicContact CB-CG1 4.48Å; I466-I539 HydrophobicContact CD1-CD1 3.82Å; I466-I539 HydrophobicContact CG1-CD1 4.45Å; I466-I539 HydrophobicContact CG2-CB 4.31Å; I466-I539 HydrophobicContact CG2-CD1 3.67Å; I466-I539 HydrophobicContact CG2-CG1 3.79Å
467	K	90.8	Very high	90.9	Very high	17 Å²	17	53.6 Å²	53.6	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-41	176.9	-171.1	62.4	171.2	177.9	0	112.3	V463 A464 E465 Q470 A471 I539 Y541 L544 L560	V463-K467 PolarHBondContact O-N 3.27Å; A464-K467 WeakPolarHBondContact O-CB 3.45Å; A464-K467 PolarHBondContact O-N 2.95Å; E465-K467 VanDerWaalsContact C-N 3.33Å; E465-K467 PolarHBondContact O-N 2.85Å; K467-Q470 PolarHBondContact O-N 2.83Å; K467-A471 PolarHBondContact O-N 2.74Å; K467-A471 VanDerWaalsContact O-N 3.09Å; K467-I539 WeakPolarHBondContact CD-O 3.3Å; K467-I539 WeakPolarHBondContact CE-O 3.2Å; K467-I539 PolarHBondContact NZ-O 2.97Å; K467-Y541 HydrophobicContact CG-CE1 4.5Å; K467-L544 HydrophobicContact CB-CD1 4.11Å; K467-L544 HydrophobicContact CG-CD1 3.92Å; K467-L560 HydrophobicContact CB-CD2 4.07Å; K467-L560 HydrophobicContact CG-CD1 3.9Å; K467-L560 HydrophobicContact CG-CD2 4.32Å
468	R	91.5	Very high	90.9	Very high	57 Å²	57	53 Å²	53	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-44.1	176.8	-165.1	-161.1	62.7	71.8	5.9	111.5	A464 E465 I466 A471 L472 L560	A464-R468 PolarHBondContact O-N 2.97Å; E465-R468 PolarHBondContact O-N 3.49Å; E465-R468 IonicContact OE1-CZ 3.48Å; E465-R468 IonicContact OE1-NE 3.77Å; E465-R468 IonicContact OE1-NH2 3.65Å; E465-R468 PolarHBondContact OE1-NH2 3.21Å; E465-R468 IonicContact OE2-CZ 3.49Å; E465-R468 IonicContact OE2-NE 3.41Å; E465-R468 PolarHBondContact OE2-NE 3.43Å; E465-R468 IonicContact OE2-NH2 3.3Å; E465-R468 PolarHBondContact OE2-NH2 3.46Å; I466-R468 VanDerWaalsContact C-N 3.34Å; I466-R468 PolarHBondContact O-N 3.35Å; R468-A471 WeakPolarHBondContact O-CB 3.24Å; R468-A471 PolarHBondContact O-N 3.05Å; R468-L472 PolarHBondContact O-N 2.9Å; R468-L560 HydrophobicContact CB-CD2 4.23Å
469	R	91.2	Very high	91	Very high	105 Å²	105	53 Å²	53	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-43	176.1	-74.2	-172.8	-170.6	-156.3	4.8	112.7	E465 I466 A471 L472 R473 L536	E465-R469 WeakPolarHBondContact O-CG 3.32Å; E465-R469 PolarHBondContact O-N 2.87Å; E465-R469 IonicContact OE1-CZ 3.41Å; E465-R469 IonicContact OE1-NE 2.84Å; E465-R469 PolarHBondContact OE1-NE 3.4Å; E465-R469 IonicContact OE1-NH2 2.66Å; E465-R469 PolarHBondContact OE1-NH2 2.98Å; I466-R469 PolarHBondContact O-N 3.4Å; R469-A471 VanDerWaalsContact C-N 3.28Å; R469-A471 PolarHBondContact O-N 3.31Å; R469-L472 PolarHBondContact O-N 2.77Å; R469-R473 WeakPolarHBondContact O-CB 3.35Å; R469-R473 PolarHBondContact O-N 3.2Å; R469-L536 HydrophobicContact CB-CD1 3.57Å; R469-L536 HydrophobicContact CG-CD1 4.48Å
470	Q	90	Very high	91	Very high	14 Å²	14	52 Å²	52	7%	0.065	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-38.3	172.6	-71.1	179.9	-6.6	0	0	113	I466 K467 R474 P537 I539	I466-Q470 WeakPolarHBondContact O-CG 3.47Å; I466-Q470 PolarHBondContact O-N 2.86Å; K467-Q470 PolarHBondContact O-N 2.83Å; Q470-R474 WeakPolarHBondContact O-CG 3.39Å; Q470-R474 PolarHBondContact O-N 2.81Å; Q470-R474 PolarHBondContact O-NE 3.28Å; Q470-P537 PolarHBondContact NE2-O 2.93Å; Q470-I539 PolarHBondContact OE1-O 3.43Å; Q470-I539 VanDerWaalsContact OE1-O 3.07Å
471	A	88.1	Confident	91.1	Very high	15 Å²	15	57.4 Å²	57.4	12%	0.124	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-45.6	176	0	0	0	0	0	111.6	K467 R468 R469 R474 Q475	K467-A471 PolarHBondContact O-N 2.74Å; K467-A471 VanDerWaalsContact O-N 3.09Å; R468-A471 WeakPolarHBondContact O-CB 3.24Å; R468-A471 PolarHBondContact O-N 3.05Å; R469-A471 VanDerWaalsContact C-N 3.28Å; R469-A471 PolarHBondContact O-N 3.31Å; A471-R474 PolarHBondContact O-N 3.42Å; A471-Q475 WeakPolarHBondContact O-CG 3.21Å; A471-Q475 PolarHBondContact O-N 2.83Å
472	L	90	Very high	91.2	Very high	54 Å²	54	57 Å²	57	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-59.6	-47.4	174.6	-179.6	62.4	0	0	0	112	R468 R469 R474 Q475 F476 I564	R468-L472 PolarHBondContact O-N 2.9Å; R469-L472 PolarHBondContact O-N 2.77Å; L472-R474 VanDerWaalsContact C-N 3.33Å; L472-R474 PolarHBondContact O-N 3.41Å; L472-Q475 PolarHBondContact O-N 3.44Å; L472-F476 VanDerWaalsContact O-CB 3.24Å; L472-F476 WeakPolarHBondContact O-CB 3.49Å; L472-F476 PolarHBondContact O-N 3.24Å; L472-I564 HydrophobicContact CB-CD1 3.98Å; L472-I564 HydrophobicContact CD1-CD1 3.89Å; L472-I564 HydrophobicContact CD1-CG1 4.34Å; L472-I564 HydrophobicContact CD1-CG2 4.36Å
473	R	91.3	Very high	91.3	Very high	70 Å²	70	56.8 Å²	56.8	26%	0.264	25%	0.253	S	S	.	.	H	α-helix	trans	-52.3	-49.9	175.1	-174.4	-174.6	74.9	-174.1	10.4	111.2	R469 M477 F532 D533	R469-R473 WeakPolarHBondContact O-CB 3.35Å; R469-R473 PolarHBondContact O-N 3.2Å; R473-M477 HydrophobicContact CG-CG 4.47Å; R473-M477 VanDerWaalsContact O-CB 3.26Å; R473-M477 WeakPolarHBondContact O-CB 3.36Å; R473-M477 WeakPolarHBondContact O-CG 3.49Å; R473-M477 PolarHBondContact O-N 2.9Å; R473-F532 HydrophobicContact CB-CE2 4.22Å; R473-F532 HydrophobicContact CB-CZ 4.23Å; R473-F532 WeakPolarHBondContact CD-O 3.41Å; R473-F532 HydrophobicContact CG-CE2 4.43Å; R473-F532 HydrophobicContact CG-CZ 4.35Å; R473-F532 WeakPolarHBondContact CG-O 3.45Å; R473-D533 PolarHBondContact NH1-O 3.2Å
474	R	89.4	Confident	91.4	Very high	130 Å²	130	57.1 Å²	57.1	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-48.8	179.1	-75.5	-178.3	-69.6	111.7	-5.8	112.2	Q470 A471 L472 E478	Q470-R474 WeakPolarHBondContact O-CG 3.39Å; Q470-R474 PolarHBondContact O-N 2.81Å; Q470-R474 PolarHBondContact O-NE 3.28Å; A471-R474 PolarHBondContact O-N 3.42Å; L472-R474 VanDerWaalsContact C-N 3.33Å; L472-R474 PolarHBondContact O-N 3.41Å; R474-E478 WeakPolarHBondContact O-CB 3.46Å; R474-E478 PolarHBondContact O-N 3.31Å; R474-E478 VanDerWaalsContact O-N 3.07Å
475	Q	90	Very high	91.5	Very high	92 Å²	92	59 Å²	59	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-69.1	-41.3	-176.5	-71.8	172.4	-17.4	0	0	112.5	A471 L472 W479 I564	A471-Q475 WeakPolarHBondContact O-CG 3.21Å; A471-Q475 PolarHBondContact O-N 2.83Å; L472-Q475 PolarHBondContact O-N 3.44Å; Q475-W479 WeakPolarHBondContact O-CB 3.41Å; Q475-W479 PolarHBondContact O-N 3.29Å; Q475-I564 HydrophobicContact CB-CG2 4.35Å; Q475-I564 VanDerWaalsContact OE1-CB 3.24Å
476	F	91.8	Very high	91.6	Very high	73 Å²	73	64.2 Å²	64.2	32%	0.32	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-45.7	176.5	-178	-85.7	0	0	0	112	L472 E478 W479 A480 P529 F532	L472-F476 VanDerWaalsContact O-CB 3.24Å; L472-F476 WeakPolarHBondContact O-CB 3.49Å; L472-F476 PolarHBondContact O-N 3.24Å; F476-E478 VanDerWaalsContact C-N 3.31Å; F476-E478 PolarHBondContact O-N 3.44Å; F476-W479 HydrophobicContact CD2-CE3 4.2Å; F476-W479 HydrophobicContact CD2-CZ3 4.32Å; F476-W479 HydrophobicContact CE2-CE3 4.15Å; F476-W479 AromaticContact CE2-CZ3 3.82Å; F476-W479 HydrophobicContact CE2-CZ3 3.82Å; F476-W479 HydrophobicContact CZ-CZ3 4.11Å; F476-W479 PolarHBondContact O-N 2.81Å; F476-A480 HydrophobicContact CE1-CB 4.48Å; F476-A480 VanDerWaalsContact O-CB 3.29Å; F476-A480 WeakPolarHBondContact O-CB 3.43Å; F476-A480 PolarHBondContact O-N 2.84Å; F476-P529 HydrophobicContact CE1-CG 3.83Å; F476-F532 HydrophobicContact CB-CE1 4.46Å; F476-F532 HydrophobicContact CB-CZ 4.24Å; F476-F532 AromaticContact CD1-CE1 3.56Å; F476-F532 HydrophobicContact CD1-CE1 3.56Å; F476-F532 HydrophobicContact CD1-CZ 4.1Å; F476-F532 HydrophobicContact CE1-CE1 4.06Å; F476-F532 HydrophobicContact CG-CE1 4.22Å; F476-F532 HydrophobicContact CG-CZ 4.3Å
477	M	92.4	Very high	91.6	Very high	28 Å²	28	64 Å²	64	14%	0.138	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-33.1	179.5	-68.7	-62.7	-71.1	0	0	112.2	R473 K481 P529 P531 F532	R473-M477 HydrophobicContact CG-CG 4.47Å; R473-M477 VanDerWaalsContact O-CB 3.26Å; R473-M477 WeakPolarHBondContact O-CB 3.36Å; R473-M477 WeakPolarHBondContact O-CG 3.49Å; R473-M477 PolarHBondContact O-N 2.9Å; M477-K481 WeakPolarHBondContact O-CB 3.17Å; M477-K481 VanDerWaalsContact O-CG 3.22Å; M477-K481 WeakPolarHBondContact O-CG 3.38Å; M477-K481 PolarHBondContact O-N 3.09Å; M477-P529 WeakPolarHBondContact CE-O 2.97Å; M477-P529 HydrophobicContact SD-CG 4.33Å; M477-P531 HydrophobicContact CE-CB 4.42Å; M477-P531 HydrophobicContact CE-CG 4.17Å; M477-F532 HydrophobicContact CG-CE1 4.31Å; M477-F532 HydrophobicContact SD-CD1 4.37Å; M477-F532 HydrophobicContact SD-CE1 4.19Å
478	E	91.2	Very high	91.7	Very high	91 Å²	91	64.9 Å²	64.9	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-68.5	-48.3	173.6	-177.1	51.5	-143.7	0	0	111.7	R474 F476 A480 K481 Q482	R474-E478 WeakPolarHBondContact O-CB 3.46Å; R474-E478 PolarHBondContact O-N 3.31Å; R474-E478 VanDerWaalsContact O-N 3.07Å; F476-E478 VanDerWaalsContact C-N 3.31Å; F476-E478 PolarHBondContact O-N 3.44Å; E478-A480 VanDerWaalsContact C-N 3.32Å; E478-A480 PolarHBondContact O-N 2.8Å; E478-K481 PolarHBondContact O-N 2.67Å; E478-Q482 WeakPolarHBondContact O-CG 3.45Å; E478-Q482 PolarHBondContact O-N 3.27Å; E478-Q482 VanDerWaalsContact O-N 3.08Å; E478-Q482 PolarHBondContact OE1-NE2 3.19Å
479	W	93.3	Very high	91.8	Very high	98 Å²	98	70.7 Å²	70.7	37%	0.371	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-47	172.8	168	83.1	0	0	0	111.9	Q475 F476 K481 Q482 V483	Q475-W479 WeakPolarHBondContact O-CB 3.41Å; Q475-W479 PolarHBondContact O-N 3.29Å; F476-W479 HydrophobicContact CD2-CE3 4.2Å; F476-W479 HydrophobicContact CD2-CZ3 4.32Å; F476-W479 HydrophobicContact CE2-CE3 4.15Å; F476-W479 AromaticContact CE2-CZ3 3.82Å; F476-W479 HydrophobicContact CE2-CZ3 3.82Å; F476-W479 HydrophobicContact CZ-CZ3 4.11Å; F476-W479 PolarHBondContact O-N 2.81Å; W479-K481 PolarHBondContact O-N 3.33Å; W479-Q482 WeakPolarHBondContact O-CB 3.48Å; W479-Q482 PolarHBondContact O-N 3.09Å; W479-Q482 VanDerWaalsContact O-N 3.15Å; W479-V483 HydrophobicContact CD2-CG2 4.26Å; W479-V483 HydrophobicContact CZ2-CG2 4Å; W479-V483 WeakPolarHBondContact O-CG2 3.4Å; W479-V483 PolarHBondContact O-N 3.37Å
480	A	92.5	Very high	91.9	Very high	4 Å²	4	70.8 Å²	70.8	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-40.3	-178.3	0	0	0	0	0	112.1	F476 E478 Q482 V483 S484 P529	F476-A480 HydrophobicContact CE1-CB 4.48Å; F476-A480 VanDerWaalsContact O-CB 3.29Å; F476-A480 WeakPolarHBondContact O-CB 3.43Å; F476-A480 PolarHBondContact O-N 2.84Å; E478-A480 VanDerWaalsContact C-N 3.32Å; E478-A480 PolarHBondContact O-N 2.8Å; A480-Q482 VanDerWaalsContact C-N 3.31Å; A480-Q482 PolarHBondContact O-N 3.44Å; A480-V483 PolarHBondContact O-N 3.43Å; A480-S484 PolarHBondContact O-N 3.24Å; A480-S484 PolarHBondContact O-OG 3.46Å; A480-P529 VanDerWaalsContact CB-CD 3.45Å; A480-P529 HydrophobicContact CB-CG 3.79Å
481	K	92.8	Very high	92.1	Very high	114 Å²	114	72.6 Å²	72.6	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-41.9	171	-76.4	169.7	-177	179.7	0	112.3	M477 E478 W479 S484 A485 P528	M477-K481 WeakPolarHBondContact O-CB 3.17Å; M477-K481 VanDerWaalsContact O-CG 3.22Å; M477-K481 WeakPolarHBondContact O-CG 3.38Å; M477-K481 PolarHBondContact O-N 3.09Å; E478-K481 PolarHBondContact O-N 2.67Å; W479-K481 PolarHBondContact O-N 3.33Å; K481-S484 PolarHBondContact O-N 3.26Å; K481-A485 WeakPolarHBondContact O-CB 3.48Å; K481-A485 PolarHBondContact O-N 3.36Å; K481-P528 HydrophobicContact CG-CB 4.26Å
482	Q	93.2	Very high	92.3	Very high	92 Å²	92	76 Å²	76	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-41.3	178.7	-67.7	177.2	23.7	0	0	112.2	E478 W479 A480 R486	E478-Q482 WeakPolarHBondContact O-CG 3.45Å; E478-Q482 PolarHBondContact O-N 3.27Å; E478-Q482 VanDerWaalsContact O-N 3.08Å; E478-Q482 PolarHBondContact OE1-NE2 3.19Å; W479-Q482 WeakPolarHBondContact O-CB 3.48Å; W479-Q482 PolarHBondContact O-N 3.09Å; W479-Q482 VanDerWaalsContact O-N 3.15Å; A480-Q482 VanDerWaalsContact C-N 3.31Å; A480-Q482 PolarHBondContact O-N 3.44Å; Q482-R486 VanDerWaalsContact O-CG 3.3Å; Q482-R486 WeakPolarHBondContact O-CG 3.43Å; Q482-R486 PolarHBondContact O-N 3.16Å; Q482-R486 VanDerWaalsContact O-N 3.08Å
483	V	92.4	Very high	92.5	Very high	45 Å²	45	78.3 Å²	78.3	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-48.5	171.9	172.2	0	0	0	0	109.9	W479 A480 A485 R486 S487 A525	W479-V483 HydrophobicContact CD2-CG2 4.26Å; W479-V483 HydrophobicContact CZ2-CG2 4Å; W479-V483 WeakPolarHBondContact O-CG2 3.4Å; W479-V483 PolarHBondContact O-N 3.37Å; A480-V483 PolarHBondContact O-N 3.43Å; V483-A485 PolarHBondContact O-N 2.69Å; V483-R486 PolarHBondContact O-N 3.26Å; V483-S487 WeakPolarHBondContact O-CB 3.48Å; V483-S487 PolarHBondContact O-N 2.96Å; V483-S487 PolarHBondContact O-OG 2.94Å; V483-A525 HydrophobicContact CG1-CB 4.32Å
484	S	93.9	Very high	92.6	Very high	7 Å²	7	77.8 Å²	77.8	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-65.6	-40.2	-178	-53.7	0	0	0	0	113.3	A480 K481 R486 S487 S488 A525 E527 P528	A480-S484 PolarHBondContact O-N 3.24Å; A480-S484 PolarHBondContact O-OG 3.46Å; K481-S484 PolarHBondContact O-N 3.26Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact O-N 2.76Å; S484-S487 PolarHBondContact O-N 2.77Å; S484-S488 VanDerWaalsContact O-CB 3.27Å; S484-S488 WeakPolarHBondContact O-CB 3.4Å; S484-S488 PolarHBondContact O-N 3.23Å; S484-S488 PolarHBondContact O-OG 3Å; S484-A525 WeakPolarHBondContact CA-O 3.22Å; S484-A525 WeakPolarHBondContact CB-O 3.44Å; S484-A525 PolarHBondContact OG-O 2.95Å; S484-E527 PolarHBondContact OG-O 3.43Å; S484-P528 WeakPolarHBondContact OG-CA 3Å
485	A	92.7	Very high	92.7	Very high	46 Å²	46	73 Å²	73	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-37.2	174.5	0	0	0	0	0	112.8	K481 V483 R489	K481-A485 WeakPolarHBondContact O-CB 3.48Å; K481-A485 PolarHBondContact O-N 3.36Å; V483-A485 PolarHBondContact O-N 2.69Å; A485-R489 VanDerWaalsContact O-CG 3.32Å; A485-R489 WeakPolarHBondContact O-CG 3.41Å; A485-R489 PolarHBondContact O-N 2.76Å
486	R	93.2	Very high	92.8	Very high	168 Å²	168	75.6 Å²	75.6	63%	0.634	36%	0.362	S	S	*	.	H	α-helix	trans	-69.6	-47.8	175.5	-72.5	175.9	-175	-165.6	3.8	111.4	Q482 V483 S484 R489 L490	Q482-R486 VanDerWaalsContact O-CG 3.3Å; Q482-R486 WeakPolarHBondContact O-CG 3.43Å; Q482-R486 PolarHBondContact O-N 3.16Å; Q482-R486 VanDerWaalsContact O-N 3.08Å; V483-R486 PolarHBondContact O-N 3.26Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact O-N 2.76Å; R486-R489 PolarHBondContact O-N 3.06Å; R486-L490 PolarHBondContact O-N 3.2Å
487	S	92.5	Very high	92.8	Very high	23 Å²	23	78.2 Å²	78.2	16%	0.161	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-41.9	179.6	-58.5	0	0	0	0	112.2	V483 S484 L490 F491 F524	V483-S487 WeakPolarHBondContact O-CB 3.48Å; V483-S487 PolarHBondContact O-N 2.96Å; V483-S487 PolarHBondContact O-OG 2.94Å; S484-S487 PolarHBondContact O-N 2.77Å; S487-L490 PolarHBondContact O-N 3.47Å; S487-F491 VanDerWaalsContact O-CB 3.28Å; S487-F491 WeakPolarHBondContact O-CB 3.4Å; S487-F491 PolarHBondContact O-N 2.97Å; S487-F524 VanDerWaalsContact CB-O 3.25Å; S487-F524 WeakPolarHBondContact CB-O 3.47Å
488	S	93.5	Very high	92.7	Very high	37 Å²	37	80.6 Å²	80.6	26%	0.259	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-37.4	176.6	-79.3	0	0	0	0	113.6	S484 V492 L526	S484-S488 VanDerWaalsContact O-CB 3.27Å; S484-S488 WeakPolarHBondContact O-CB 3.4Å; S484-S488 PolarHBondContact O-N 3.23Å; S484-S488 PolarHBondContact O-OG 3Å; S488-V492 WeakPolarHBondContact O-CB 3.49Å; S488-V492 VanDerWaalsContact O-CG2 3.27Å; S488-V492 WeakPolarHBondContact O-CG2 3.4Å; S488-V492 PolarHBondContact O-N 3.18Å; S488-L526 VanDerWaalsContact OG-CA 3.26Å; S488-L526 WeakPolarHBondContact OG-CA 3.36Å; S488-L526 WeakPolarHBondContact OG-CB 3.45Å; S488-L526 PolarHBondContact OG-O 3.38Å
489	R	93.3	Very high	92.6	Very high	178 Å²	178	83.3 Å²	83.3	67%	0.672	39%	0.392	S	S	*	.	H	α-helix	trans	-63	-51.4	171.4	-72.9	174.1	-169	173.2	4.6	111.3	A485 R486 F491 V492 D493	A485-R489 VanDerWaalsContact O-CG 3.32Å; A485-R489 WeakPolarHBondContact O-CG 3.41Å; A485-R489 PolarHBondContact O-N 2.76Å; R486-R489 PolarHBondContact O-N 3.06Å; R489-F491 VanDerWaalsContact C-N 3.28Å; R489-F491 PolarHBondContact O-N 2.96Å; R489-V492 PolarHBondContact O-N 3.23Å; R489-D493 WeakPolarHBondContact O-CB 3.15Å; R489-D493 PolarHBondContact O-N 2.98Å
490	L	92.9	Very high	92.4	Very high	107 Å²	107	81.2 Å²	81.2	56%	0.56	40%	0.396	S	S	*	.	H	α-helix	trans	-56.2	-43.9	178.3	-177.4	65.5	0	0	0	111.7	R486 S487 E494 F521	R486-L490 PolarHBondContact O-N 3.2Å; S487-L490 PolarHBondContact O-N 3.47Å; L490-E494 WeakPolarHBondContact O-CB 3.22Å; L490-E494 PolarHBondContact O-N 2.98Å; L490-F521 HydrophobicContact CD2-CZ 4.14Å; L490-F521 HydrophobicContact CG-CE1 4.25Å; L490-F521 HydrophobicContact CG-CZ 4.1Å
491	F	93.5	Very high	92.2	Very high	52 Å²	52	84 Å²	84	23%	0.228	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-45.1	178	178.4	-94.3	0	0	0	112.8	S487 R489 T495 F521 A523 L526	S487-F491 VanDerWaalsContact O-CB 3.28Å; S487-F491 WeakPolarHBondContact O-CB 3.4Å; S487-F491 PolarHBondContact O-N 2.97Å; R489-F491 VanDerWaalsContact C-N 3.28Å; R489-F491 PolarHBondContact O-N 2.96Å; F491-T495 WeakPolarHBondContact O-CB 3.39Å; F491-T495 PolarHBondContact O-N 3.5Å; F491-T495 PolarHBondContact O-OG1 2.9Å; F491-F521 HydrophobicContact CB-CD1 4.33Å; F491-F521 HydrophobicContact CB-CE1 4.32Å; F491-F521 AromaticContact CD2-CD1 3.73Å; F491-F521 HydrophobicContact CD2-CD1 3.73Å; F491-F521 HydrophobicContact CD2-CE1 4.33Å; F491-F521 WeakPolarHBondContact CE2-O 3.47Å; F491-F521 HydrophobicContact CG-CD1 4.4Å; F491-A523 HydrophobicContact CD2-CB 4.31Å; F491-A523 HydrophobicContact CE2-CB 3.85Å; F491-A523 HydrophobicContact CZ-CB 4.32Å; F491-L526 HydrophobicContact CB-CD2 3.59Å; F491-L526 HydrophobicContact CD1-CD1 3.97Å; F491-L526 HydrophobicContact CD1-CD2 4.11Å; F491-L526 HydrophobicContact CD2-CD1 4.46Å; F491-L526 HydrophobicContact CD2-CD2 4.27Å; F491-L526 HydrophobicContact CE1-CD1 4.06Å; F491-L526 HydrophobicContact CG-CD1 4.19Å; F491-L526 HydrophobicContact CG-CD2 3.73Å; F491-L526 HydrophobicContact CZ-CD1 4.36Å
492	V	92.8	Very high	91.9	Very high	86 Å²	86	81 Å²	81	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-47	178.6	168.4	0	0	0	0	111.3	S488 R489 K496	S488-V492 WeakPolarHBondContact O-CB 3.49Å; S488-V492 VanDerWaalsContact O-CG2 3.27Å; S488-V492 WeakPolarHBondContact O-CG2 3.4Å; S488-V492 PolarHBondContact O-N 3.18Å; R489-V492 PolarHBondContact O-N 3.23Å; V492-K496 WeakPolarHBondContact O-CB 3.32Å; V492-K496 PolarHBondContact O-N 3.33Å
493	D	93.6	Very high	91.6	Very high	103 Å²	103	80.2 Å²	80.2	55%	0.551	42%	0.416	S	S	*	.	H	α-helix	trans	-66.1	-46.4	-177	-71.2	-28.7	0	0	0	111.6	R489 K496 H497	R489-D493 WeakPolarHBondContact O-CB 3.15Å; R489-D493 PolarHBondContact O-N 2.98Å; D493-K496 PolarHBondContact O-N 3.22Å; D493-H497 WeakPolarHBondContact O-CB 3.3Å; D493-H497 PolarHBondContact O-N 3.02Å
494	E	92.9	Very high	91.3	Very high	59 Å²	59	87.4 Å²	87.4	28%	0.276	44%	0.438	S	S	.	.	H	α-helix	trans	-68.5	-40.4	177.8	178.9	62.8	-176.7	0	0	111.8	L490 K496 H497 R498 F521	L490-E494 WeakPolarHBondContact O-CB 3.22Å; L490-E494 PolarHBondContact O-N 2.98Å; E494-K496 VanDerWaalsContact C-N 3.31Å; E494-K496 PolarHBondContact O-N 3.44Å; E494-H497 PolarHBondContact O-N 3.49Å; E494-R498 WeakPolarHBondContact O-CG 3.42Å; E494-R498 PolarHBondContact O-N 3.42Å; E494-R498 IonicContact OE1-CZ 2.83Å; E494-R498 IonicContact OE1-NE 3.42Å; E494-R498 PolarHBondContact OE1-NE 3.14Å; E494-R498 IonicContact OE1-NH2 3.69Å; E494-R498 PolarHBondContact OE1-NH2 3.36Å; E494-F521 HydrophobicContact CB-CD1 4.13Å; E494-F521 HydrophobicContact CB-CD2 4.37Å; E494-F521 HydrophobicContact CB-CE1 4.4Å; E494-F521 HydrophobicContact CB-CG 4.12Å; E494-F521 HydrophobicContact CG-CB 3.86Å; E494-F521 HydrophobicContact CG-CD1 4.05Å; E494-F521 HydrophobicContact CG-CD2 3.48Å; E494-F521 VanDerWaalsContact CG-CD2 3.48Å; E494-F521 HydrophobicContact CG-CE1 4.48Å; E494-F521 HydrophobicContact CG-CE2 3.96Å; E494-F521 HydrophobicContact CG-CG 3.52Å; E494-F521 HydrophobicContact CG-CZ 4.44Å
495	T	92	Very high	91	Very high	30 Å²	30	88.3 Å²	88.3	18%	0.184	44%	0.442	C	S	.	.	H	α-helix	trans	-63.5	-38.9	174.6	-62.6	0	0	0	0	111.3	F491 K499	F491-T495 WeakPolarHBondContact O-CB 3.39Å; F491-T495 PolarHBondContact O-N 3.5Å; F491-T495 PolarHBondContact O-OG1 2.9Å; T495-K499 HydrophobicContact CG2-CD 4.18Å; T495-K499 WeakPolarHBondContact O-CB 3.48Å; T495-K499 VanDerWaalsContact O-CG 3.3Å; T495-K499 WeakPolarHBondContact O-CG 3.4Å; T495-K499 PolarHBondContact O-N 3.46Å
496	K	92.1	Very high	90.4	Very high	147 Å²	147	92.8 Å²	92.8	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-65.4	-41.9	174.1	-177.4	-179.3	178.1	-176.5	0	111.2	V492 D493 E494 K499 A500	V492-K496 WeakPolarHBondContact O-CB 3.32Å; V492-K496 PolarHBondContact O-N 3.33Å; D493-K496 PolarHBondContact O-N 3.22Å; E494-K496 VanDerWaalsContact C-N 3.31Å; E494-K496 PolarHBondContact O-N 3.44Å; K496-K499 PolarHBondContact O-N 3.19Å; K496-A500 VanDerWaalsContact O-CB 3.3Å; K496-A500 WeakPolarHBondContact O-CB 3.39Å; K496-A500 PolarHBondContact O-N 3.04Å
497	H	91.5	Very high	89.5	Confident	127 Å²	127	90.5 Å²	90.5	59%	0.588	47%	0.469	S	S	*	.	H	α-helix	trans	-62.7	-48.4	177.3	-166.2	78.5	0	0	0	111.7	D493 E494 A500 L501	D493-H497 WeakPolarHBondContact O-CB 3.3Å; D493-H497 PolarHBondContact O-N 3.02Å; E494-H497 PolarHBondContact O-N 3.49Å; H497-A500 PolarHBondContact O-N 2.95Å; H497-L501 PolarHBondContact O-N 2.76Å
498	R	91.5	Very high	89.2	Confident	79 Å²	79	93.2 Å²	93.2	30%	0.298	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-44.6	176.1	-68.6	-175	-169.8	-157.4	1.8	112.5	E494 A500 L501 A502 K519 T520	E494-R498 WeakPolarHBondContact O-CG 3.42Å; E494-R498 PolarHBondContact O-N 3.42Å; E494-R498 IonicContact OE1-CZ 2.83Å; E494-R498 IonicContact OE1-NE 3.42Å; E494-R498 PolarHBondContact OE1-NE 3.14Å; E494-R498 IonicContact OE1-NH2 3.69Å; E494-R498 PolarHBondContact OE1-NH2 3.36Å; R498-A500 PolarHBondContact O-N 3.25Å; R498-L501 PolarHBondContact O-N 2.95Å; R498-A502 WeakPolarHBondContact O-CB 3.5Å; R498-A502 PolarHBondContact O-N 3.06Å; R498-K519 WeakPolarHBondContact CD-O 3.3Å; R498-K519 PolarHBondContact NH1-O 3.47Å; R498-T520 PolarHBondContact NH1-O 3.19Å
499	K	88.8	Confident	88.7	Confident	147 Å²	147	98.9 Å²	98.9	64%	0.639	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-40.8	175.4	-76.3	180	178.1	-176	0	112.6	T495 K496 A502 A503	T495-K499 HydrophobicContact CG2-CD 4.18Å; T495-K499 WeakPolarHBondContact O-CB 3.48Å; T495-K499 VanDerWaalsContact O-CG 3.3Å; T495-K499 WeakPolarHBondContact O-CG 3.4Å; T495-K499 PolarHBondContact O-N 3.46Å; K496-K499 PolarHBondContact O-N 3.19Å; K499-A502 PolarHBondContact O-N 3.09Å; K499-A503 WeakPolarHBondContact O-CB 3.29Å; K499-A503 PolarHBondContact O-N 3.01Å
500	A	89.5	Confident	88.3	Confident	54 Å²	54	93.3 Å²	93.3	45%	0.446	48%	0.483	S	S	.	.	H	α-helix	trans	-68.3	-32.8	177.8	0	0	0	0	0	112.9	K496 H497 R498 R504	K496-A500 VanDerWaalsContact O-CB 3.3Å; K496-A500 WeakPolarHBondContact O-CB 3.39Å; K496-A500 PolarHBondContact O-N 3.04Å; H497-A500 PolarHBondContact O-N 2.95Å; R498-A500 PolarHBondContact O-N 3.25Å; A500-R504 WeakPolarHBondContact O-CD 3.24Å; A500-R504 WeakPolarHBondContact O-CG 3.41Å
501	L	88	Confident	87.6	Confident	64 Å²	64	90.3 Å²	90.3	34%	0.335	47%	0.47	S	S	.	.	H	α-helix	trans	-73.6	-44.9	173.3	-176.2	57.9	0	0	0	111.6	H497 R498 A503 R504 L505 L517	H497-L501 PolarHBondContact O-N 2.76Å; R498-L501 PolarHBondContact O-N 2.95Å; L501-A503 PolarHBondContact O-N 3.15Å; L501-R504 PolarHBondContact O-N 3.27Å; L501-R504 VanDerWaalsContact O-N 3.1Å; L501-L505 HydrophobicContact CD1-CD1 4.23Å; L501-L505 HydrophobicContact CG-CD1 4.1Å; L501-L505 PolarHBondContact O-N 2.94Å; L501-L505 VanDerWaalsContact O-N 3.14Å; L501-L517 HydrophobicContact CD2-CD1 4.01Å
502	A	86.6	Confident	86.7	Confident	51 Å²	51	91.9 Å²	91.9	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-57.1	-49.4	176	0	0	0	0	0	111.5	R498 K499 R504 L505 D506	R498-A502 WeakPolarHBondContact O-CB 3.5Å; R498-A502 PolarHBondContact O-N 3.06Å; K499-A502 PolarHBondContact O-N 3.09Å; A502-R504 PolarHBondContact O-N 3.05Å; A502-R504 VanDerWaalsContact O-N 3.08Å; A502-L505 PolarHBondContact O-N 3.46Å; A502-D506 PolarHBondContact O-N 3.3Å
503	A	86.5	Confident	86.2	Confident	74 Å²	74	93.5 Å²	93.5	61%	0.612	49%	0.493	S	S	*	.	H	α-helix	trans	-61.4	-19.6	177.8	0	0	0	0	0	114.5	K499 L501	K499-A503 WeakPolarHBondContact O-CB 3.29Å; K499-A503 PolarHBondContact O-N 3.01Å; L501-A503 PolarHBondContact O-N 3.15Å
504	R	86.7	Confident	85.7	Confident	197 Å²	197	92.5 Å²	92.5	74%	0.743	48%	0.484	S	S	*	.	H	α-helix	trans	-89.8	-19.5	173.5	-71.7	173.4	63.2	-167.2	-1.2	113.4	A500 L501 A502	A500-R504 WeakPolarHBondContact O-CD 3.24Å; A500-R504 WeakPolarHBondContact O-CG 3.41Å; L501-R504 PolarHBondContact O-N 3.27Å; L501-R504 VanDerWaalsContact O-N 3.1Å; A502-R504 PolarHBondContact O-N 3.05Å; A502-R504 VanDerWaalsContact O-N 3.08Å
505	L	86.8	Confident	84.8	Confident	25 Å²	25	96.8 Å²	96.8	13%	0.131	50%	0.504	C	S	.	.	H	α-helix	trans	-95.1	-27.1	178.3	-72.7	171	0	0	0	112.6	L501 A502 S507 H508 L510 C511 L517	L501-L505 HydrophobicContact CD1-CD1 4.23Å; L501-L505 HydrophobicContact CG-CD1 4.1Å; L501-L505 PolarHBondContact O-N 2.94Å; L501-L505 VanDerWaalsContact O-N 3.14Å; A502-L505 PolarHBondContact O-N 3.46Å; L505-S507 PolarHBondContact O-N 2.85Å; L505-H508 PolarHBondContact O-N 3.01Å; L505-L510 HydrophobicContact CD2-CB 4.23Å; L505-C511 WeakPolarHBondContact O-CB 3.38Å; L505-L517 HydrophobicContact CD1-CD1 3.93Å
506	D	80.1	Confident	84.1	Confident	140 Å²	140	100 Å²	100	75%	0.749	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-35.6	-170.3	-146.3	30.2	0	0	0	114.7	A502	A502-D506 PolarHBondContact O-N 3.3Å
507	S	75.7	Confident	83.7	Confident	121 Å²	121	96.7 Å²	96.7	85%	0.846	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	6.5	176.8	61.2	0	0	0	0	114.5	L505	L505-S507 PolarHBondContact O-N 2.85Å
508	H	84.7	Confident	82.8	Confident	79 Å²	79	98 Å²	98	37%	0.366	52%	0.522	S	S	.	.	S	Bend	trans	-102.3	137.9	-174	-160.2	-92.1	0	0	0	111.6	L505 L510 C511	L505-H508 PolarHBondContact O-N 3.01Å; H508-L510 WeakPolarHBondContact ND1-CB 3.36Å; H508-L510 WeakPolarHBondContact ND1-CG 3.48Å; H508-L510 PolarHBondContact ND1-N 3.39Å; H508-L510 PolarHBondContact O-N 2.95Å; H508-C511 VanDerWaalsContact O-CB 3.31Å; H508-C511 WeakPolarHBondContact O-CB 3.26Å; H508-C511 PolarHBondContact O-N 2.93Å
509	F	83.3	Confident	82.3	Confident	156 Å²	156	102.1 Å²	102.1	68%	0.684	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-56.8	-26.2	-179.3	66.3	-92.4	0	0	0	113.6	C511 S512	F509-C511 PolarHBondContact O-N 3.48Å; F509-S512 PolarHBondContact O-N 3.13Å; F509-S512 PolarHBondContact O-OG 3.3Å
510	L	84.6	Confident	82	Confident	61 Å²	61	101.1 Å²	101.1	32%	0.319	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-65.4	-14.6	174.5	-67.8	175	0	0	0	114.5	L505 H508 S512 L513 F514	L505-L510 HydrophobicContact CD2-CB 4.23Å; H508-L510 WeakPolarHBondContact ND1-CB 3.36Å; H508-L510 WeakPolarHBondContact ND1-CG 3.48Å; H508-L510 PolarHBondContact ND1-N 3.39Å; H508-L510 PolarHBondContact O-N 2.95Å; L510-S512 PolarHBondContact O-N 3.22Å; L510-L513 HydrophobicContact CD2-CD2 4.47Å; L510-L513 VanDerWaalsContact O-CB 3.3Å; L510-L513 WeakPolarHBondContact O-CB 3.47Å; L510-L513 PolarHBondContact O-N 2.84Å; L510-F514 HydrophobicContact CB-CD2 4.27Å; L510-F514 HydrophobicContact CB-CE2 4.27Å; L510-F514 WeakPolarHBondContact O-CD2 3.18Å; L510-F514 PolarHBondContact O-N 3.09Å
511	C	78.4	Confident	82	Confident	44 Å²	44	101 Å²	101	30%	0.297	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-54.5	-40	173.9	-161.6	0	0	0	0	111.1	L505 H508 F509 L513 F514	L505-C511 WeakPolarHBondContact O-CB 3.38Å; H508-C511 VanDerWaalsContact O-CB 3.31Å; H508-C511 WeakPolarHBondContact O-CB 3.26Å; H508-C511 PolarHBondContact O-N 2.93Å; F509-C511 PolarHBondContact O-N 3.48Å; C511-L513 PolarHBondContact O-N 2.87Å; C511-L513 VanDerWaalsContact O-N 3.12Å; C511-F514 PolarHBondContact O-N 2.91Å; C511-F514 VanDerWaalsContact O-N 3.1Å
512	S	75.2	Confident	82	Confident	86 Å²	86	102.2 Å²	102.2	60%	0.601	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.2	174.7	66.7	0	0	0	0	114.6	F509 L510 Q515	F509-S512 PolarHBondContact O-N 3.13Å; F509-S512 PolarHBondContact O-OG 3.3Å; L510-S512 PolarHBondContact O-N 3.22Å; S512-Q515 PolarHBondContact O-NE2 3.3Å; S512-Q515 VanDerWaalsContact O-NE2 3.13Å
513	L	82.5	Confident	82.1	Confident	120 Å²	120	103 Å²	103	63%	0.628	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-85.6	-21	-178.6	-152.7	95	0	0	0	113	L510 C511	L510-L513 HydrophobicContact CD2-CD2 4.47Å; L510-L513 VanDerWaalsContact O-CB 3.3Å; L510-L513 WeakPolarHBondContact O-CB 3.47Å; L510-L513 PolarHBondContact O-N 2.84Å; C511-L513 PolarHBondContact O-N 2.87Å; C511-L513 VanDerWaalsContact O-N 3.12Å
514	F	82.4	Confident	82.3	Confident	82 Å²	82	106.8 Å²	106.8	36%	0.36	56%	0.559	S	S	.	*			trans	-126.5	37.5	-166.1	-65	-64.6	0	0	0	113.9	L510 C511 C516 L517	L510-F514 HydrophobicContact CB-CD2 4.27Å; L510-F514 HydrophobicContact CB-CE2 4.27Å; L510-F514 WeakPolarHBondContact O-CD2 3.18Å; L510-F514 PolarHBondContact O-N 3.09Å; C511-F514 PolarHBondContact O-N 2.91Å; C511-F514 VanDerWaalsContact O-N 3.1Å; F514-C516 PolarHBondContact O-N 3.42Å; F514-L517 HydrophobicContact CB-CD1 3.7Å; F514-L517 HydrophobicContact CB-CG 4.02Å; F514-L517 HydrophobicContact CD1-CD1 4.35Å; F514-L517 HydrophobicContact CG-CD1 4.08Å; F514-L517 WeakPolarHBondContact O-CB 3.36Å; F514-L517 PolarHBondContact O-N 3.42Å
515	Q	73.6	Confident	82.4	Confident	149 Å²	149	99.3 Å²	99.3	70%	0.696	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-52.3	-20.2	179.4	-60.6	169.7	25.7	0	0	114.5	S512 L517	S512-Q515 PolarHBondContact O-NE2 3.3Å; S512-Q515 VanDerWaalsContact O-NE2 3.13Å; Q515-L517 VanDerWaalsContact C-N 3.33Å
516	C	78.1	Confident	82.6	Confident	96 Å²	96	100.7 Å²	100.7	65%	0.649	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-75.7	-14	177	59.6	0	0	0	0	114.9	F514	F514-C516 PolarHBondContact O-N 3.42Å
517	L	83.4	Confident	83.1	Confident	79 Å²	79	101.9 Å²	101.9	41%	0.414	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-83.5	-7.4	-173.9	-63.2	-176.3	0	0	0	114.6	L501 L505 F514 Q515 K519	L501-L517 HydrophobicContact CD2-CD1 4.01Å; L505-L517 HydrophobicContact CD1-CD1 3.93Å; F514-L517 HydrophobicContact CB-CD1 3.7Å; F514-L517 HydrophobicContact CB-CG 4.02Å; F514-L517 HydrophobicContact CD1-CD1 4.35Å; F514-L517 HydrophobicContact CG-CD1 4.08Å; F514-L517 WeakPolarHBondContact O-CB 3.36Å; F514-L517 PolarHBondContact O-N 3.42Å; Q515-L517 VanDerWaalsContact C-N 3.33Å; L517-K519 PolarHBondContact O-N 3.07Å
518	E	73.1	Confident	83.8	Confident	155 Å²	155	99.2 Å²	99.2	72%	0.724	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-70.6	-14.6	179.8	-64.2	-178.2	171.8	0	0	114	T520	E518-T520 PolarHBondContact O-N 2.98Å
519	K	80.3	Confident	84	Confident	164 Å²	164	98.1 Å²	98.1	71%	0.713	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-65.7	122.6	-175.6	-72.1	-174.4	177.2	-179.7	0	112.2	R498 L517	R498-K519 WeakPolarHBondContact CD-O 3.3Å; R498-K519 PolarHBondContact NH1-O 3.47Å; L517-K519 PolarHBondContact O-N 3.07Å
520	T	82.5	Confident	84.3	Confident	126 Å²	126	99 Å²	99	77%	0.773	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-63.9	157.1	171.1	50.7	0	0	0	0	112.2	R498 E518	R498-T520 PolarHBondContact NH1-O 3.19Å; E518-T520 PolarHBondContact O-N 2.98Å
521	F	89.7	Confident	84.4	Confident	52 Å²	52	100.6 Å²	100.6	23%	0.228	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-83.2	136	173.6	-172.9	-111.8	0	0	0	109.6	L490 F491 E494	L490-F521 HydrophobicContact CD2-CZ 4.14Å; L490-F521 HydrophobicContact CG-CE1 4.25Å; L490-F521 HydrophobicContact CG-CZ 4.1Å; F491-F521 HydrophobicContact CB-CD1 4.33Å; F491-F521 HydrophobicContact CB-CE1 4.32Å; F491-F521 AromaticContact CD2-CD1 3.73Å; F491-F521 HydrophobicContact CD2-CD1 3.73Å; F491-F521 HydrophobicContact CD2-CE1 4.33Å; F491-F521 WeakPolarHBondContact CE2-O 3.47Å; F491-F521 HydrophobicContact CG-CD1 4.4Å; E494-F521 HydrophobicContact CB-CD1 4.13Å; E494-F521 HydrophobicContact CB-CD2 4.37Å; E494-F521 HydrophobicContact CB-CE1 4.4Å; E494-F521 HydrophobicContact CB-CG 4.12Å; E494-F521 HydrophobicContact CG-CB 3.86Å; E494-F521 HydrophobicContact CG-CD1 4.05Å; E494-F521 HydrophobicContact CG-CD2 3.48Å; E494-F521 VanDerWaalsContact CG-CD2 3.48Å; E494-F521 HydrophobicContact CG-CE1 4.48Å; E494-F521 HydrophobicContact CG-CE2 3.96Å; E494-F521 HydrophobicContact CG-CG 3.52Å; E494-F521 HydrophobicContact CG-CZ 4.44Å
522	P	87.7	Confident	84.9	Confident	90 Å²	90	101.8 Å²	101.8	58%	0.584	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-72.7	140	-177.1	28.8	-35	0	0	0	112.2
523	A	89.1	Confident	85.6	Confident	68 Å²	68	99.9 Å²	99.9	56%	0.562	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-73.9	130.1	169.6	0	0	0	0	0	110.2	F491 L526	F491-A523 HydrophobicContact CD2-CB 4.31Å; F491-A523 HydrophobicContact CE2-CB 3.85Å; F491-A523 HydrophobicContact CZ-CB 4.32Å; A523-L526 HydrophobicContact CB-CD1 3.62Å; A523-L526 HydrophobicContact CB-CG 4.17Å
524	F	91.4	Very high	85.7	Confident	153 Å²	153	97.5 Å²	97.5	67%	0.671	52%	0.523	S	S	*	.			trans	-144.7	131.3	175.3	176.4	-100.9	0	0	0	109.5	S487 L526	S487-F524 VanDerWaalsContact CB-O 3.25Å; S487-F524 WeakPolarHBondContact CB-O 3.47Å; F524-L526 PolarHBondContact O-N 3.5Å; F524-L526 VanDerWaalsContact O-N 3.08Å
525	A	87.9	Confident	85.8	Confident	39 Å²	39	101.3 Å²	101.3	32%	0.322	55%	0.548	S	S	.	.	S	Bend	trans	43.9	43.7	176.4	0	0	0	0	0	114.2	V483 S484 E527	V483-A525 HydrophobicContact CG1-CB 4.32Å; S484-A525 WeakPolarHBondContact CA-O 3.22Å; S484-A525 WeakPolarHBondContact CB-O 3.44Å; S484-A525 PolarHBondContact OG-O 2.95Å; A525-E527 VanDerWaalsContact C-N 3.28Å; A525-E527 PolarHBondContact O-N 3.43Å
526	L	90.3	Very high	86.5	Confident	55 Å²	55	96.3 Å²	96.3	29%	0.288	53%	0.525	S	S	.	.			trans	-71.6	-26.4	-176.3	-59.1	-175.2	0	0	0	112.9	S488 F491 A523 F524	S488-L526 VanDerWaalsContact OG-CA 3.26Å; S488-L526 WeakPolarHBondContact OG-CA 3.36Å; S488-L526 WeakPolarHBondContact OG-CB 3.45Å; S488-L526 PolarHBondContact OG-O 3.38Å; F491-L526 HydrophobicContact CB-CD2 3.59Å; F491-L526 HydrophobicContact CD1-CD1 3.97Å; F491-L526 HydrophobicContact CD1-CD2 4.11Å; F491-L526 HydrophobicContact CD2-CD1 4.46Å; F491-L526 HydrophobicContact CD2-CD2 4.27Å; F491-L526 HydrophobicContact CE1-CD1 4.06Å; F491-L526 HydrophobicContact CG-CD1 4.19Å; F491-L526 HydrophobicContact CG-CD2 3.73Å; F491-L526 HydrophobicContact CZ-CD1 4.36Å; A523-L526 HydrophobicContact CB-CD1 3.62Å; A523-L526 HydrophobicContact CB-CG 4.17Å; F524-L526 PolarHBondContact O-N 3.5Å; F524-L526 VanDerWaalsContact O-N 3.08Å
527	E	90.7	Very high	86.9	Confident	164 Å²	164	92.9 Å²	92.9	77%	0.766	50%	0.502	S	S	*	.	S	Bend	trans	-119.3	149.9	179.7	-66.1	177.7	-179.7	0	0	109.8	S484 A525	S484-E527 PolarHBondContact OG-O 3.43Å; A525-E527 VanDerWaalsContact C-N 3.28Å; A525-E527 PolarHBondContact O-N 3.43Å
528	P	90.1	Very high	87.2	Confident	65 Å²	65	93 Å²	93	42%	0.422	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-69.5	154.7	172.5	30.5	-34.6	0	0	0	110.7	K481 S484	K481-P528 HydrophobicContact CG-CB 4.26Å; S484-P528 WeakPolarHBondContact OG-CA 3Å
529	P	89.4	Confident	87.9	Confident	57 Å²	57	85.7 Å²	85.7	37%	0.37	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-65.5	162	177.5	28.9	-34.7	0	0	0	112	F476 M477 A480	F476-P529 HydrophobicContact CE1-CG 3.83Å; M477-P529 WeakPolarHBondContact CE-O 2.97Å; M477-P529 HydrophobicContact SD-CG 4.33Å; A480-P529 VanDerWaalsContact CB-CD 3.45Å; A480-P529 HydrophobicContact CB-CG 3.79Å
530	E	89.7	Confident	88.3	Confident	175 Å²	175	82.3 Å²	82.3	82%	0.818	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-59.6	141.5	176.3	-65.5	-176.8	167.7	0	0	111.8	F532	E530-F532 PolarHBondContact O-N 2.85Å
531	P	87.3	Confident	88.6	Confident	93 Å²	93	82.8 Å²	82.8	60%	0.604	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-61	123.8	174.1	-24.4	35.6	0	0	0	112.5	M477 C534	M477-P531 HydrophobicContact CE-CB 4.42Å; M477-P531 HydrophobicContact CE-CG 4.17Å; P531-C534 WeakPolarHBondContact CB-SG 3.31Å
532	F	89.5	Confident	88.5	Confident	69 Å²	69	86 Å²	86	30%	0.303	47%	0.465	S	S	.	.			trans	-108.6	168.5	174.1	67.5	-81.9	0	0	0	111.2	R473 F476 M477 E530 C534	R473-F532 HydrophobicContact CB-CE2 4.22Å; R473-F532 HydrophobicContact CB-CZ 4.23Å; R473-F532 WeakPolarHBondContact CD-O 3.41Å; R473-F532 HydrophobicContact CG-CE2 4.43Å; R473-F532 HydrophobicContact CG-CZ 4.35Å; R473-F532 WeakPolarHBondContact CG-O 3.45Å; F476-F532 HydrophobicContact CB-CE1 4.46Å; F476-F532 HydrophobicContact CB-CZ 4.24Å; F476-F532 AromaticContact CD1-CE1 3.56Å; F476-F532 HydrophobicContact CD1-CE1 3.56Å; F476-F532 HydrophobicContact CD1-CZ 4.1Å; F476-F532 HydrophobicContact CE1-CE1 4.06Å; F476-F532 HydrophobicContact CG-CE1 4.22Å; F476-F532 HydrophobicContact CG-CZ 4.3Å; M477-F532 HydrophobicContact CG-CE1 4.31Å; M477-F532 HydrophobicContact SD-CD1 4.37Å; M477-F532 HydrophobicContact SD-CE1 4.19Å; E530-F532 PolarHBondContact O-N 2.85Å; F532-C534 PolarHBondContact O-N 3.31Å
533	D	89.6	Confident	88.5	Confident	46 Å²	46	83 Å²	83	25%	0.246	44%	0.443	C	S	.	.	S	Bend	trans	53.9	25.3	-179	-77.3	-14.5	0	0	0	113.7	R473 N535 L536	R473-D533 PolarHBondContact NH1-O 3.2Å; D533-N535 VanDerWaalsContact C-N 3.32Å; D533-N535 PolarHBondContact O-N 3.35Å; D533-L536 HydrophobicContact CB-CD1 3.72Å; D533-L536 HydrophobicContact CB-CG 4.04Å; D533-L536 PolarHBondContact O-N 3.44Å
534	C	84.5	Confident	88.5	Confident	70 Å²	70	80.5 Å²	80.5	47%	0.473	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.9	-177.8	-70.8	0	0	0	0	113.3	P531 F532 L536	P531-C534 WeakPolarHBondContact CB-SG 3.31Å; F532-C534 PolarHBondContact O-N 3.31Å; C534-L536 VanDerWaalsContact C-N 3.28Å; C534-L536 PolarHBondContact O-N 3.08Å
535	N	84.4	Confident	88.3	Confident	163 Å²	163	78.7 Å²	78.7	87%	0.872	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	7.3	-175.1	-56.6	-11.2	0	0	0	113.4	D533	D533-N535 VanDerWaalsContact C-N 3.32Å; D533-N535 PolarHBondContact O-N 3.35Å
536	L	88.3	Confident	88.2	Confident	43 Å²	43	81 Å²	81	23%	0.225	42%	0.419	C	S	.	.	S	Bend	trans	-72.6	132.9	177.2	-69.5	-174	0	0	0	111.3	I466 R469 D533 C534	I466-L536 HydrophobicContact CG2-CB 4.34Å; R469-L536 HydrophobicContact CB-CD1 3.57Å; R469-L536 HydrophobicContact CG-CD1 4.48Å; D533-L536 HydrophobicContact CB-CD1 3.72Å; D533-L536 HydrophobicContact CB-CG 4.04Å; D533-L536 PolarHBondContact O-N 3.44Å; C534-L536 VanDerWaalsContact C-N 3.28Å; C534-L536 PolarHBondContact O-N 3.08Å
537	P	87.1	Confident	88.1	Confident	24 Å²	24	78.4 Å²	78.4	16%	0.156	41%	0.405	C	S	.	.			trans	-51.9	145.7	175.4	-29.4	36.7	0	0	0	113.4	P236 L237 A240 Q470 I539	P236-P537 HydrophobicContact CB-CB 4.09Å; L237-P537 HydrophobicContact CD2-CB 4.08Å; L237-P537 HydrophobicContact CD2-CG 3.93Å; A240-P537 HydrophobicContact CB-CB 4.22Å; A240-P537 HydrophobicContact CB-CG 3.7Å; Q470-P537 PolarHBondContact NE2-O 2.93Å; P537-I539 VanDerWaalsContact C-N 3.33Å; P537-I539 HydrophobicContact CB-CG1 4.33Å; P537-I539 PolarHBondContact O-N 3.15Å
538	C	88.1	Confident	88	Confident	83 Å²	83	74.5 Å²	74.5	56%	0.561	39%	0.386	S	S	*	.			trans	-79.5	74.3	-176	-160	0	0	0	0	112.8	P236	P236-C538 VanDerWaalsContact CG-O 3.31Å; P236-C538 WeakPolarHBondContact CG-O 3.34Å
539	I	88.8	Confident	87.9	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.398	C	S	.	.			trans	-81.1	123.2	179.5	-51.5	-165.7	0	0	0	110.9	L237 V463 I466 K467 Q470 P537 H543	L237-I539 HydrophobicContact CD2-CD1 4Å; L237-I539 HydrophobicContact CG-CD1 4.44Å; V463-I539 HydrophobicContact CB-CD1 4.43Å; V463-I539 HydrophobicContact CG1-CD1 3.89Å; V463-I539 HydrophobicContact CG1-CG2 3.84Å; I466-I539 HydrophobicContact CB-CD1 3.85Å; I466-I539 HydrophobicContact CB-CG1 4.48Å; I466-I539 HydrophobicContact CD1-CD1 3.82Å; I466-I539 HydrophobicContact CG1-CD1 4.45Å; I466-I539 HydrophobicContact CG2-CB 4.31Å; I466-I539 HydrophobicContact CG2-CD1 3.67Å; I466-I539 HydrophobicContact CG2-CG1 3.79Å; K467-I539 WeakPolarHBondContact CD-O 3.3Å; K467-I539 WeakPolarHBondContact CE-O 3.2Å; K467-I539 PolarHBondContact NZ-O 2.97Å; Q470-I539 PolarHBondContact OE1-O 3.43Å; Q470-I539 VanDerWaalsContact OE1-O 3.07Å; P537-I539 VanDerWaalsContact C-N 3.33Å; P537-I539 HydrophobicContact CB-CG1 4.33Å; P537-I539 PolarHBondContact O-N 3.15Å; I539-H543 HydrophobicContact CG2-CB 3.86Å
540	E	88.2	Confident	87.8	Confident	94 Å²	94	76.1 Å²	76.1	44%	0.439	39%	0.392	S	S	.	.			trans	-95	174.5	176.7	-55.7	-140.5	151.1	0	0	112.3	E542 H543	E540-E542 VanDerWaalsContact C-N 3.34Å; E540-H543 PolarHBondContact N-ND1 3.39Å; E540-H543 PolarHBondContact O-N 3.08Å
541	Y	88.5	Confident	87.5	Confident	135 Å²	135	67.9 Å²	67.9	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-70.6	-33.9	175.9	-77.1	-78.2	0	0	0	111.8	K467 H543 L544 E545 L560	K467-Y541 HydrophobicContact CG-CE1 4.5Å; Y541-H543 PolarHBondContact O-N 3.49Å; Y541-L544 HydrophobicContact CD1-CD1 4.27Å; Y541-L544 WeakPolarHBondContact O-CB 3.48Å; Y541-L544 PolarHBondContact O-N 2.84Å; Y541-E545 PolarHBondContact O-N 3Å; Y541-L560 HydrophobicContact CE1-CD1 3.69Å
542	E	87.4	Confident	87.4	Confident	119 Å²	119	66.6 Å²	66.6	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-55.6	-34	173.8	-57.3	-177.6	-177.4	0	0	112.2	E540 E545 Q546	E540-E542 VanDerWaalsContact C-N 3.34Å; E542-E545 PolarHBondContact O-N 3.43Å; E542-Q546 WeakPolarHBondContact O-CB 3.49Å; E542-Q546 WeakPolarHBondContact O-CG 3.31Å; E542-Q546 PolarHBondContact O-N 3.32Å
543	H	88.8	Confident	87.1	Confident	28 Å²	28	68.7 Å²	68.7	13%	0.13	36%	0.355	C	S	.	.	H	α-helix	trans	-69.7	-36.2	175.8	-64	154.1	0	0	0	113.3	V234 P236 I539 E540 Y541 E545 I547	V234-H543 HydrophobicContact CG1-CB 3.37Å; V234-H543 VanDerWaalsContact CG1-CD2 3.41Å; V234-H543 WeakPolarHBondContact CG1-CD2 3.22Å; P236-H543 VanDerWaalsContact CG-CE1 3.42Å; P236-H543 WeakPolarHBondContact CG-CE1 3.4Å; I539-H543 HydrophobicContact CG2-CB 3.86Å; E540-H543 PolarHBondContact N-ND1 3.39Å; E540-H543 PolarHBondContact O-N 3.08Å; Y541-H543 PolarHBondContact O-N 3.49Å; H543-E545 VanDerWaalsContact C-N 3.34Å; H543-I547 WeakPolarHBondContact O-CG1 3.5Å; H543-I547 PolarHBondContact O-N 3.28Å
544	L	88.2	Confident	86.9	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-69.7	-37	172.6	-64.5	174.4	0	0	0	110.5	V463 A464 K467 Y541 I547 H548 L558 L560	V463-L544 HydrophobicContact CG1-CD2 3.69Å; A464-L544 HydrophobicContact CB-CD2 4.29Å; K467-L544 HydrophobicContact CB-CD1 4.11Å; K467-L544 HydrophobicContact CG-CD1 3.92Å; Y541-L544 HydrophobicContact CD1-CD1 4.27Å; Y541-L544 WeakPolarHBondContact O-CB 3.48Å; Y541-L544 PolarHBondContact O-N 2.84Å; L544-I547 PolarHBondContact O-N 3.37Å; L544-H548 WeakPolarHBondContact O-CB 3.23Å; L544-H548 PolarHBondContact O-N 3Å; L544-L558 HydrophobicContact CD2-CD2 3.97Å; L544-L560 HydrophobicContact CD1-CD1 4.46Å; L544-L560 HydrophobicContact CD1-CD2 4.39Å
545	E	86.8	Confident	86.9	Confident	115 Å²	115	65.6 Å²	65.6	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-41.1	175.1	-172	167.7	-154.5	0	0	112.1	Y541 E542 H543 I547 H548 L549	Y541-E545 PolarHBondContact O-N 3Å; E542-E545 PolarHBondContact O-N 3.43Å; H543-E545 VanDerWaalsContact C-N 3.34Å; E545-I547 PolarHBondContact O-N 3.31Å; E545-H548 PolarHBondContact O-N 2.78Å; E545-H548 VanDerWaalsContact O-N 3.14Å; E545-L549 HydrophobicContact CG-CD1 4Å; E545-L549 HydrophobicContact CG-CG 4.29Å; E545-L549 WeakPolarHBondContact O-CB 3.25Å; E545-L549 VanDerWaalsContact O-CG 3.28Å; E545-L549 WeakPolarHBondContact O-CG 3.21Å; E545-L549 PolarHBondContact O-N 2.84Å
546	Q	86.6	Confident	86.9	Confident	89 Å²	89	61.4 Å²	61.4	42%	0.416	32%	0.322	S	S	.	.	H	α-helix	trans	-56.7	-45.2	172.4	-75.2	162.3	22	0	0	112.2	E542 A550	E542-Q546 WeakPolarHBondContact O-CB 3.49Å; E542-Q546 WeakPolarHBondContact O-CG 3.31Å; E542-Q546 PolarHBondContact O-N 3.32Å; Q546-A550 WeakPolarHBondContact O-CB 3.48Å; Q546-A550 PolarHBondContact O-N 2.78Å; Q546-A550 VanDerWaalsContact O-N 3.08Å
547	I	87.5	Confident	86.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-41.6	175.2	-62.4	172.1	0	0	0	110.7	L231 V234 Y459 V463 H543 L544 E545 A550 M551 L558	L231-I547 HydrophobicContact CD2-CG2 3.95Å; V234-I547 HydrophobicContact CG2-CD1 3.84Å; V234-I547 HydrophobicContact CG2-CG1 4.35Å; Y459-I547 HydrophobicContact CE1-CD1 3.89Å; Y459-I547 HydrophobicContact CE1-CG1 4.43Å; V463-I547 HydrophobicContact CB-CD1 4.08Å; V463-I547 HydrophobicContact CG1-CD1 3.78Å; V463-I547 HydrophobicContact CG2-CD1 3.97Å; H543-I547 WeakPolarHBondContact O-CG1 3.5Å; H543-I547 PolarHBondContact O-N 3.28Å; L544-I547 PolarHBondContact O-N 3.37Å; E545-I547 PolarHBondContact O-N 3.31Å; I547-A550 PolarHBondContact O-N 3.07Å; I547-M551 PolarHBondContact O-N 3.07Å; I547-L558 HydrophobicContact CB-CD1 4.37Å; I547-L558 HydrophobicContact CB-CD2 4.44Å; I547-L558 HydrophobicContact CG2-CD1 4.12Å; I547-L558 HydrophobicContact CG2-CD2 4.12Å
548	H	88.9	Confident	86.5	Confident	81 Å²	81	60 Å²	60	38%	0.375	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-42.3	179.4	-177.1	40.2	0	0	0	112.7	L544 E545 M551 P552 L558	L544-H548 WeakPolarHBondContact O-CB 3.23Å; L544-H548 PolarHBondContact O-N 3Å; E545-H548 PolarHBondContact O-N 2.78Å; E545-H548 VanDerWaalsContact O-N 3.14Å; H548-M551 CarbonylContact O-C 3.59Å; H548-M551 VanDerWaalsContact O-C 3.25Å; H548-P552 VanDerWaalsContact O-CA 3.3Å; H548-P552 WeakPolarHBondContact O-CA 3.2Å; H548-P552 WeakPolarHBondContact O-CD 3.31Å; H548-P552 WeakPolarHBondContact O-CG 3.45Å; H548-L558 HydrophobicContact CB-CD1 3.73Å
549	L	88.1	Confident	86.1	Confident	128 Å²	128	65.2 Å²	65.2	67%	0.67	32%	0.322	S	S	*	.	H	α-helix	trans	-67.9	-40.2	176.9	-70.7	171.3	0	0	0	111.7	E545	E545-L549 HydrophobicContact CG-CD1 4Å; E545-L549 HydrophobicContact CG-CG 4.29Å; E545-L549 WeakPolarHBondContact O-CB 3.25Å; E545-L549 VanDerWaalsContact O-CG 3.28Å; E545-L549 WeakPolarHBondContact O-CG 3.21Å; E545-L549 PolarHBondContact O-N 2.84Å
550	A	86.5	Confident	85.6	Confident	29 Å²	29	67 Å²	67	24%	0.24	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-38.3	176.5	0	0	0	0	0	112.6	R230 P232 Q546 I547	R230-A550 PolarHBondContact NH2-O 3.04Å; P232-A550 HydrophobicContact CG-CB 4.3Å; Q546-A550 WeakPolarHBondContact O-CB 3.48Å; Q546-A550 PolarHBondContact O-N 2.78Å; Q546-A550 VanDerWaalsContact O-N 3.08Å; I547-A550 PolarHBondContact O-N 3.07Å
551	M	85	Confident	84.5	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	34%	0.339	C	S	.	.			trans	-143.8	85.1	-178.8	-162.2	178.8	-66.2	0	0	112.8	L227 R230 L231 I547 H548 E553 L554	L227-M551 HydrophobicContact CB-CE 3.81Å; L227-M551 HydrophobicContact CD2-CE 3.72Å; L227-M551 HydrophobicContact CD2-SD 3.96Å; L227-M551 HydrophobicContact CG-CE 4.37Å; L227-M551 WeakPolarHBondContact O-CE 3.46Å; R230-M551 HydrophobicContact CB-CE 4.17Å; L231-M551 HydrophobicContact CD1-CE 4.32Å; L231-M551 HydrophobicContact CD2-CB 4.24Å; L231-M551 HydrophobicContact CD2-CE 4.06Å; L231-M551 HydrophobicContact CD2-SD 4.38Å; L231-M551 HydrophobicContact CG-CE 3.77Å; I547-M551 PolarHBondContact O-N 3.07Å; H548-M551 CarbonylContact O-C 3.59Å; H548-M551 VanDerWaalsContact O-C 3.25Å; M551-E553 HydrophobicContact CG-CB 4.21Å; M551-E553 PolarHBondContact O-N 3.19Å; M551-E553 VanDerWaalsContact O-N 3.12Å; M551-L554 HydrophobicContact CB-CD1 4.4Å; M551-L554 HydrophobicContact CB-CG 4.41Å; M551-L554 HydrophobicContact CG-CD1 4.26Å; M551-L554 HydrophobicContact CG-CG 3.97Å; M551-L554 PolarHBondContact O-N 3.41Å; M551-L554 VanDerWaalsContact O-N 3.11Å; M551-L554 HydrophobicContact SD-CD1 3.48Å; M551-L554 WeakPolarHBondContact SD-CD1 3.46Å; M551-L554 HydrophobicContact SD-CD2 4.18Å; M551-L554 HydrophobicContact SD-CG 3.52Å; M551-L554 VanDerWaalsContact SD-CG 3.52Å
552	P	84.8	Confident	83	Confident	66 Å²	66	68 Å²	68	43%	0.429	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59.3	-25.8	179.6	-27	35.8	0	0	0	114.2	H548 L554 S555	H548-P552 VanDerWaalsContact O-CA 3.3Å; H548-P552 WeakPolarHBondContact O-CA 3.2Å; H548-P552 WeakPolarHBondContact O-CD 3.31Å; H548-P552 WeakPolarHBondContact O-CG 3.45Å; P552-L554 PolarHBondContact O-N 3.02Å; P552-S555 WeakPolarHBondContact O-CB 3.4Å; P552-S555 PolarHBondContact O-N 3.06Å; P552-S555 PolarHBondContact O-OG 3.41Å
553	E	83.5	Confident	81.3	Confident	112 Å²	112	65.8 Å²	65.8	52%	0.523	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.1	176.9	-63.4	159.7	-128.1	0	0	112.7	R230 M551 S555	R230-E553 IonicContact NH1-OE1 3.83Å; M551-E553 HydrophobicContact CG-CB 4.21Å; M551-E553 PolarHBondContact O-N 3.19Å; M551-E553 VanDerWaalsContact O-N 3.12Å; E553-S555 VanDerWaalsContact C-N 3.31Å; E553-S555 PolarHBondContact O-N 3.44Å
554	L	85.5	Confident	79.4	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-86.5	6.5	177.3	-58.8	-177.5	0	0	0	114	L231 P456 Y457 A460 M551 P552 S556 C557 L558	L231-L554 HydrophobicContact CD1-CD1 4.37Å; L231-L554 HydrophobicContact CD2-CD1 3.9Å; P456-L554 HydrophobicContact CB-CD1 4.34Å; Y457-L554 HydrophobicContact CD1-CD2 3.37Å; Y457-L554 HydrophobicContact CE1-CD2 3.47Å; Y457-L554 VanDerWaalsContact CE1-CD2 3.47Å; Y457-L554 HydrophobicContact CG-CD2 4.13Å; A460-L554 HydrophobicContact CB-CB 4.21Å; A460-L554 HydrophobicContact CB-CD1 3.83Å; M551-L554 HydrophobicContact CB-CD1 4.4Å; M551-L554 HydrophobicContact CB-CG 4.41Å; M551-L554 HydrophobicContact CG-CD1 4.26Å; M551-L554 HydrophobicContact CG-CG 3.97Å; M551-L554 PolarHBondContact O-N 3.41Å; M551-L554 VanDerWaalsContact O-N 3.11Å; M551-L554 HydrophobicContact SD-CD1 3.48Å; M551-L554 WeakPolarHBondContact SD-CD1 3.46Å; M551-L554 HydrophobicContact SD-CD2 4.18Å; M551-L554 HydrophobicContact SD-CG 3.52Å; M551-L554 VanDerWaalsContact SD-CG 3.52Å; P552-L554 PolarHBondContact O-N 3.02Å; L554-S556 PolarHBondContact O-N 3.42Å; L554-C557 WeakPolarHBondContact O-CA 3.48Å; L554-C557 WeakPolarHBondContact O-CB 3.38Å; L554-C557 PolarHBondContact O-N 2.82Å; L554-L558 PolarHBondContact O-N 2.78Å
555	S	83.6	Confident	77.2	Confident	49 Å²	49	74.3 Å²	74.3	34%	0.343	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-54.2	-28	-178.7	54.9	0	0	0	0	114.7	P552 E553 R559	P552-S555 WeakPolarHBondContact O-CB 3.4Å; P552-S555 PolarHBondContact O-N 3.06Å; P552-S555 PolarHBondContact O-OG 3.41Å; E553-S555 VanDerWaalsContact C-N 3.31Å; E553-S555 PolarHBondContact O-N 3.44Å; S555-R559 WeakPolarHBondContact O-CG 3.47Å
556	S	84.4	Confident	75	Confident	75 Å²	75	74.4 Å²	74.4	52%	0.524	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-67.4	-37.3	173	58.4	0	0	0	0	112.9	L554	L554-S556 PolarHBondContact O-N 3.42Å
557	C	83.6	Confident	73	Confident	19 Å²	19	75.4 Å²	75.4	13%	0.128	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.1	-178.7	-66.6	0	0	0	0	113.1	A460 Q461 L554 R559	A460-C557 HydrophobicContact CB-CB 4.03Å; Q461-C557 HydrophobicContact CG-CB 3.8Å; L554-C557 WeakPolarHBondContact O-CA 3.48Å; L554-C557 WeakPolarHBondContact O-CB 3.38Å; L554-C557 PolarHBondContact O-N 2.82Å; C557-R559 VanDerWaalsContact C-N 3.33Å
558	L	83.5	Confident	70.6	Confident	19 Å²	19	80 Å²	80	10%	0.099	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.2	178.8	-60.7	172.9	0	0	0	113.5	A460 L544 I547 H548 L554 L560	A460-L558 HydrophobicContact CB-CD2 3.94Å; L544-L558 HydrophobicContact CD2-CD2 3.97Å; I547-L558 HydrophobicContact CB-CD1 4.37Å; I547-L558 HydrophobicContact CB-CD2 4.44Å; I547-L558 HydrophobicContact CG2-CD1 4.12Å; I547-L558 HydrophobicContact CG2-CD2 4.12Å; H548-L558 HydrophobicContact CB-CD1 3.73Å; L554-L558 PolarHBondContact O-N 2.78Å; L558-L560 PolarHBondContact O-N 2.65Å
559	R	80.5	Confident	67.9	Low	193 Å²	193	85.1 Å²	85.1	73%	0.728	48%	0.482	S	S	*	.			trans	-74.4	114.5	-178.3	-66.6	-177.4	-178.7	-179.8	0.1	111.9	S555 C557 S561	S555-R559 WeakPolarHBondContact O-CG 3.47Å; C557-R559 VanDerWaalsContact C-N 3.33Å; R559-S561 PolarHBondContact O-N 3.26Å; R559-S561 VanDerWaalsContact O-N 3.15Å
560	L	78.6	Confident	65.3	Low	38 Å²	38	84.6 Å²	84.6	20%	0.199	49%	0.489	C	S	.	.			trans	-73	102.6	173.1	-54.3	-179.5	0	0	0	110.5	A464 K467 R468 Y541 L544 L558 H562	A464-L560 HydrophobicContact CB-CD2 4.14Å; A464-L560 WeakPolarHBondContact O-CD2 3.37Å; K467-L560 HydrophobicContact CB-CD2 4.07Å; K467-L560 HydrophobicContact CG-CD1 3.9Å; K467-L560 HydrophobicContact CG-CD2 4.32Å; R468-L560 HydrophobicContact CB-CD2 4.23Å; Y541-L560 HydrophobicContact CE1-CD1 3.69Å; L544-L560 HydrophobicContact CD1-CD1 4.46Å; L544-L560 HydrophobicContact CD1-CD2 4.39Å; L558-L560 PolarHBondContact O-N 2.65Å; L560-H562 PolarHBondContact O-CE1 3.48Å; L560-H562 PolarHBondContact O-N 3.29Å; L560-H562 PolarHBondContact O-ND1 3.21Å
561	S	65.2	Low	62.9	Low	84 Å²	84	88.4 Å²	88.4	59%	0.587	51%	0.514	S	S	*	.			trans	-58.8	123.1	179.2	50.6	0	0	0	0	112.2	R559 G563	R559-S561 PolarHBondContact O-N 3.26Å; R559-S561 VanDerWaalsContact O-N 3.15Å; S561-G563 PolarHBondContact O-N 3.13Å
562	H	55.4	Low	60.4	Low	165 Å²	165	94 Å²	94	76%	0.764	55%	0.553	S	S	*	*			trans	-80.3	80	-173.6	-68.8	7.2	0	0	0	111.9	L560	L560-H562 PolarHBondContact O-CE1 3.48Å; L560-H562 PolarHBondContact O-N 3.29Å; L560-H562 PolarHBondContact O-ND1 3.21Å
563	G	51.5	Low	58.1	Low	72 Å²	72	97.1 Å²	97.1	74%	0.742	57%	0.574	S	S	*	*			trans	-97	8.2	-179.2	0	0	0	0	0	116.5	S561	S561-G563 PolarHBondContact O-N 3.13Å
564	I	49.4	Very low	55.8	Low	48 Å²	48	97 Å²	97	25%	0.246	59%	0.585	C	S	.	*			trans	-127	40.2	-161.4	-29.6	172.9	0	0	0	113.5	L472 Q475	L472-I564 HydrophobicContact CB-CD1 3.98Å; L472-I564 HydrophobicContact CD1-CD1 3.89Å; L472-I564 HydrophobicContact CD1-CG1 4.34Å; L472-I564 HydrophobicContact CD1-CG2 4.36Å; Q475-I564 HydrophobicContact CB-CG2 4.35Å; Q475-I564 VanDerWaalsContact OE1-CB 3.24Å
565	H	42.4	Very low	53.3	Low	174 Å²	174	106.9 Å²	106.9	81%	0.806	63%	0.628	S	S	*	*	S	Bend	trans	-110.6	11.2	-178.7	-85.7	-71.2	0	0	0	115.9
566	S	39.7	Very low	51	Low	117 Å²	117	109 Å²	109	82%	0.818	65%	0.649	S	S	*	*	S	Bend	trans	-125.2	23.2	-170.4	-165.8	0	0	0	0	116.4
567	L	44.6	Very low	48.5	Very low	110 Å²	110	112.3 Å²	112.3	58%	0.576	66%	0.66	S	S	*	*	S	Bend	trans	-108.1	5.6	-178.8	-79.8	168.3	0	0	0	115.2
568	A	37.1	Very low	46.1	Very low	96 Å²	96	117.8 Å²	117.8	79%	0.793	69%	0.693	S	S	*	*	S	Bend	trans	-119.6	-11.5	-168.2	0	0	0	0	0	116.6
569	E	32.9	Very low	43.7	Very low	189 Å²	189	128.1 Å²	128.1	88%	0.883	73%	0.73	S	S	*	*			trans	-106.9	98.5	-172.9	-69.4	-170.4	165.6	0	0	113.5
570	S	33.3	Very low	41.4	Very low	117 Å²	117	123.4 Å²	123.4	82%	0.818	73%	0.733	S	S	*	*			trans	178.9	90.5	144.1	36.5	0	0	0	0	112.1
571	S	36.8	Very low	39.1	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	76%	0.76	S	S	*	*			trans	-169	69.1	154.9	56.4	0	0	0	0	113.7
572	S	32.9	Very low	37.3	Very low	119 Å²	119	134 Å²	134	83%	0.832	77%	0.773	S	S	*	*			trans	-147.9	116.4	149.9	54.6	0	0	0	0	109.5
573	P	34.8	Very low	35.9	Very low	132 Å²	132	132.4 Å²	132.4	86%	0.857	77%	0.774	S	S	*	*			trans	-104.9	122	-179.4	34.7	-27.9	0	0	0	112.2
574	S	35.2	Very low	34.9	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	77%	0.772	S	S	*	*			trans	-147.2	101.4	159.3	60.3	0	0	0	0	113.4
575	K	34.9	Very low	33.7	Very low	209 Å²	209	140.9 Å²	140.9	91%	0.909	80%	0.802	S	S	*	*			trans	51.9	105.4	147.3	-59.2	176.1	177.7	178.4	0	118.8
576	A	34.1	Very low	33	Very low	93 Å²	93	143.4 Å²	143.4	77%	0.769	81%	0.806	S	S	*	*				178.3	151.6	108.6	0	0	0	0	0	111.6
577	D	33.1	Very low	32.3	Very low	144 Å²	144	143 Å²	143	77%	0.77	80%	0.803	S	S	*	*			trans	33.4	110.1	164.9	-62.7	-37.2	0	0	0	120.3
578	V	32.6	Very low	31.7	Very low	134 Å²	134	143.2 Å²	143.2	81%	0.812	81%	0.814	S	S	*	*				64	92.4	74.5	-179.5	0	0	0	0	112.7
579	R	32.9	Very low	31.2	Very low	236 Å²	236	145 Å²	145	89%	0.891	82%	0.815	S	S	*	*				163.7	120.9	115.7	-166.4	169.3	-159.1	153.7	2.1	110.8
580	A	31.1	Very low	31.6	Very low	94 Å²	94	141.2 Å²	141.2	78%	0.777	81%	0.807	S	S	*	*			trans	-74.6	151.4	173.9	0	0	0	0	0	112.2
581	P	31.4	Very low	31.7	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	81%	0.808	S	S	*	*				-130.5	140.1	114	36.5	-27.7	0	0	0	110.5
582	R	26.8	Very low	31.4	Very low	227 Å²	227	140 Å²	140	86%	0.857	81%	0.806	S	S	*	*				65.1	122.7	51.2	-120.9	-166.1	-175.1	174	1.9	113.9
583	V	27.2	Very low	31.3	Very low	131 Å²	131	144.1 Å²	144.1	79%	0.794	81%	0.812	S	S	*	*			trans	76.2	142.4	156.3	-174	0	0	0	0	113.7
584	S	28.6	Very low	30.9	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	81%	0.813	S	S	*	*			cis	-156.1	152.5	8.2	25.8	0	0	0	0	112.3
585	F	24.4	Very low	30.8	Very low	198 Å²	198	151.1 Å²	151.1	87%	0.868	82%	0.822	S	S	*	*			trans	-67.8	134.6	144.1	-85.7	-111.2	0	0	0	108.8
586	Y	28.1	Very low	30.4	Very low	227 Å²	227	152.7 Å²	152.7	89%	0.89	82%	0.822	S	S	*	*			trans	-177.7	139.9	136.7	-94.8	-60.3	0	0	0	112.9
587	S	25.4	Very low	30.2	Very low	109 Å²	109	157.3 Å²	157.3	76%	0.762	83%	0.83	S	S	*	*			trans	-20.8	134	156.9	162	0	0	0	0	118.6
588	S	31.2	Very low	30	Very low	114 Å²	114	155.6 Å²	155.6	80%	0.797	83%	0.829	S	S	*	*			trans	-155.7	120.8	144.6	55.6	0	0	0	0	111.6
589	T	27.6	Very low	30	Very low	133 Å²	133	155 Å²	155	82%	0.816	83%	0.831	S	S	*	*			trans	-97.7	-167.9	168.4	56.7	0	0	0	0	110
590	P	41.8	Very low	29.7	Very low	111 Å²	111	147.4 Å²	147.4	72%	0.721	83%	0.826	S	S	*	*				-105.5	-173.6	-120	33.6	-11.8	0	0	0	113.7
591	P	35.6	Very low	29.6	Very low	129 Å²	129	147.5 Å²	147.5	84%	0.838	82%	0.821	S	S	*	*				-140.3	175.4	98.7	35.1	-19	0	0	0	111.7
592	G	29.4	Very low	29.6	Very low	72 Å²	72	147.9 Å²	147.9	74%	0.742	82%	0.823	S	S	*	*			cis	138.1	109.9	0.7	0	0	0	0	0	110.2
593	E	31	Very low	29.7	Very low	205 Å²	205	142 Å²	142	96%	0.958	82%	0.816	S	S	*	*			trans	-156	134.2	166.9	-133.7	166.9	-156.4	0	0	110.5
594	E	26.9	Very low	30.2	Very low	187 Å²	187	142.6 Å²	142.6	87%	0.874	81%	0.808	S	S	*	*			trans	-103.9	143.8	-174	-57.6	176.9	118.3	0	0	111.3
595	Q	32.1	Very low	30.4	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	79%	0.79	S	S	*	*			trans	-161.5	129.3	137.6	-111.2	160.3	31.1	0	0	112.4
596	R	26.3	Very low	30.6	Very low	242 Å²	242	139.6 Å²	139.6	91%	0.913	78%	0.784	S	S	*	*			trans	-79.3	146.4	177.3	-73.3	174.9	169	140.7	-1.3	111.6
597	M	31.5	Very low	30.6	Very low	189 Å²	189	133.4 Å²	133.4	93%	0.931	77%	0.774	S	S	*	*				-151.4	156	128.3	-95.8	-50.9	-155.3	0	0	110.1
598	S	27.3	Very low	30.8	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	77%	0.766	S	S	*	*			trans	-113.1	141.6	-163.3	55.3	0	0	0	0	114.8
599	S	33.5	Very low	30.6	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	76%	0.762	S	S	*	*			trans	-169.7	143.5	133.2	51.5	0	0	0	0	110.4
600	G	25.9	Very low	30.6	Very low	75 Å²	75	135.8 Å²	135.8	77%	0.773	76%	0.763	S	S	*	*			trans	-90.6	139.6	-176.5	0	0	0	0	0	112.9
601	S	28.7	Very low	29.9	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	77%	0.77	S	S	*	*			trans	-161.4	137.2	166.8	-151.2	0	0	0	0	110.2	C603	S601-C603 PolarHBondContact O-N 3.28Å; S601-C603 VanDerWaalsContact O-N 3.09Å
602	P	32	Very low	29.5	Very low	125 Å²	125	138 Å²	138	81%	0.812	77%	0.767	S	S	*	*			trans	-71.3	105.6	-178.1	-15.8	30.5	0	0	0	111.6	F604	P602-F604 PolarHBondContact O-N 3.11Å
603	C	29.9	Very low	29.3	Very low	104 Å²	104	144.1 Å²	144.1	70%	0.703	77%	0.774	S	S	*	*			trans	-69.7	92.1	-175.5	-56.1	0	0	0	0	113	S601	S601-C603 PolarHBondContact O-N 3.28Å; S601-C603 VanDerWaalsContact O-N 3.09Å
604	F	37.3	Very low	29	Very low	144 Å²	144	140.6 Å²	140.6	63%	0.632	77%	0.771	S	S	*	*	S	Bend	trans	-124.6	-3.6	168.5	-129.7	-85.9	0	0	0	114.4	P602	P602-F604 PolarHBondContact O-N 3.11Å
605	F	31.6	Very low	29	Very low	74 Å²	74	135.5 Å²	135.5	33%	0.325	77%	0.768	S	S	.	*	S	Bend	trans	-130.2	8.7	-172.1	-75.5	-77	0	0	0	115.3	W206 S210 A213 M217	W206-F605 AromaticContact CE2-CE2 3.93Å; W206-F605 HydrophobicContact CH2-CE2 4.48Å; W206-F605 HydrophobicContact CH2-CZ 4.02Å; W206-F605 AromaticContact CZ2-CE2 3.55Å; W206-F605 HydrophobicContact CZ2-CE2 3.55Å; W206-F605 AromaticContact CZ2-CZ 3.49Å; W206-F605 HydrophobicContact CZ2-CZ 3.49Å; W206-F605 VanDerWaalsContact CZ2-CZ 3.49Å; W206-F605 AromaticContact NE1-CE2 3.94Å; S210-F605 WeakPolarHBondContact OG-CE2 3.38Å; A213-F605 HydrophobicContact CB-CD1 3.85Å; A213-F605 HydrophobicContact CB-CE1 4.22Å; A213-F605 HydrophobicContact CB-CG 4.29Å; M217-F605 HydrophobicContact CE-CE1 4.06Å
606	H	29.1	Very low	28.6	Very low	161 Å²	161	129.9 Å²	129.9	75%	0.745	76%	0.764	S	S	*	*			trans	-79.1	139.3	178.2	-87.6	-54.5	0	0	0	113.7
607	S	27.9	Very low	28.7	Very low	96 Å²	96	123.5 Å²	123.5	67%	0.671	76%	0.757	S	S	*	*			trans	-43.4	127.5	-172.8	-46.1	0	0	0	0	115.7	E609	S607-E609 PolarHBondContact O-N 3.44Å; S607-E609 VanDerWaalsContact O-N 3.11Å
608	T	31	Very low	28.4	Very low	96 Å²	96	120.3 Å²	120.3	59%	0.589	75%	0.754	S	S	*	*			trans	-84.7	53.5	162.7	62.9	0	0	0	0	111	R453	R453-T608 PolarHBondContact NH1-OG1 2.91Å
609	E	26.8	Very low	28.4	Very low	152 Å²	152	125.2 Å²	125.2	71%	0.71	76%	0.761	S	S	*	*			trans	-113.4	121.7	164.9	-71.2	-179.9	-164.5	0	0	106.3	S607	S607-E609 PolarHBondContact O-N 3.44Å; S607-E609 VanDerWaalsContact O-N 3.11Å
610	N	26.7	Very low	27.9	Very low	158 Å²	158	122.3 Å²	122.3	85%	0.845	75%	0.751	S	S	*	*			trans	76.8	87.9	-169.5	-44.1	-68.3	0	0	0	115.9
611	L	26.7	Very low	27.8	Very low	165 Å²	165	123.6 Å²	123.6	86%	0.864	75%	0.748	S	S	*	*			trans	-130.4	121.8	149.2	-93.7	173.2	0	0	0	109.9
612	P	27.5	Very low	27.6	Very low	121 Å²	121	127.8 Å²	127.8	79%	0.786	76%	0.762	S	S	*	*			trans	-84.4	172.1	-177.2	34.4	-35.5	0	0	0	113.5
613	F	25.3	Very low	27.2	Very low	202 Å²	202	124.4 Å²	124.4	89%	0.886	74%	0.741	S	S	*	*			trans	-61.7	161.2	-179	-110.9	-116.5	0	0	0	115.4
614	C	25.6	Very low	26.9	Very low	131 Å²	131	130.6 Å²	130.6	89%	0.885	75%	0.752	S	S	*	*			trans	87	135.8	160.6	-66.4	0	0	0	0	120.1
615	G	26.2	Very low	26.4	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	75%	0.75	S	S	*	*			trans	128.3	79.2	153.1	0	0	0	0	0	115.7
616	G	24.4	Very low	26.1	Very low	84 Å²	84	133.9 Å²	133.9	87%	0.866	78%	0.778	S	S	*	*			trans	-67.5	148.9	-172.3	0	0	0	0	0	117.4
617	S	27.8	Very low	26	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	77%	0.77	S	S	*	*			trans	-155.6	145.7	139.7	51.7	0	0	0	0	110.9	F619	S617-F619 PolarHBondContact O-N 3.46Å
618	S	25.6	Very low	26	Very low	123 Å²	123	131.4 Å²	131.4	86%	0.86	77%	0.77	S	S	*	*			trans	-46.6	115.9	-169.2	-167.7	0	0	0	0	116.4
619	F	26	Very low	25.8	Very low	210 Å²	210	134.1 Å²	134.1	92%	0.921	78%	0.781	S	S	*	*			trans	-99.4	106.7	158.9	-87.9	-86.1	0	0	0	109.7	S617	S617-F619 PolarHBondContact O-N 3.46Å
620	G	23.9	Very low	25.9	Very low	62 Å²	62	132.3 Å²	132.3	64%	0.639	78%	0.78	S	S	*	*			trans	-99.1	143.7	174.8	0	0	0	0	0	112.5
621	S	24.8	Very low	25.9	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	78%	0.777	S	S	*	*			trans	60.7	79.7	162.1	-163.1	0	0	0	0	117.3	S623	S621-S623 PolarHBondContact O-N 3.27Å
622	L	22.7	Very low	25.9	Very low	186 Å²	186	131.5 Å²	131.5	97%	0.974	78%	0.776	S	S	*	*			trans	-70.3	85.7	151.8	-80.8	168.1	0	0	0	109.2
623	S	24.4	Very low	25.9	Very low	53 Å²	53	130.6 Å²	130.6	37%	0.371	77%	0.772	S	S	.	*			trans	-92.9	128.5	161.8	-176.6	0	0	0	0	107.9	S621 K625	S621-S623 PolarHBondContact O-N 3.27Å; S623-K625 PolarHBondContact O-N 3.08Å
624	Y	24.1	Very low	26.1	Very low	235 Å²	235	125.3 Å²	125.3	92%	0.922	77%	0.766	S	S	*	*			trans	-51.7	112.2	169	-65.1	-89.3	0	0	0	109.2
625	K	26.2	Very low	26.2	Very low	139 Å²	139	126.6 Å²	126.6	60%	0.604	76%	0.764	S	S	*	*			trans	-129.8	111.4	172.8	-84.3	-169.6	173.9	-175.2	0	108	S623 N627	S623-K625 PolarHBondContact O-N 3.08Å; K625-N627 PolarHBondContact O-N 3.42Å
626	T	24.6	Very low	26.4	Very low	147 Å²	147	132 Å²	132	90%	0.902	77%	0.768	S	S	*	*			trans	-72.5	76.1	168.6	39.7	0	0	0	0	109.6
627	N	27.4	Very low	26.7	Very low	110 Å²	110	136.8 Å²	136.8	59%	0.588	77%	0.767	S	S	*	*			trans	-78.3	118.7	162.8	-68.1	-2.5	0	0	0	106.8	K625	K625-N627 PolarHBondContact O-N 3.42Å
628	S	27.9	Very low	26.8	Very low	95 Å²	95	137.9 Å²	137.9	66%	0.664	77%	0.769	S	S	*	*				62.7	135.1	53.6	87.6	0	0	0	0	112.4	V630	S628-V630 PolarHBondContact O-N 3.06Å
629	D	26.8	Very low	27	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	77%	0.771	S	S	*	*			trans	-51.8	118.7	-163.6	-70	-68.1	0	0	0	113.2
630	V	29.3	Very low	27.1	Very low	114 Å²	114	136 Å²	136	69%	0.691	76%	0.762	S	S	*	*			trans	-90.2	112.1	168.2	177.2	0	0	0	0	108.4	S628 L632	S628-V630 PolarHBondContact O-N 3.06Å; V630-L632 PolarHBondContact O-N 2.88Å
631	D	26.6	Very low	27.5	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	77%	0.769	S	S	*	*			trans	-58.5	117	171.3	-95.7	-44.6	0	0	0	111	S633	D631-S633 PolarHBondContact O-N 3.35Å
632	L	27.6	Very low	27.8	Very low	159 Å²	159	140 Å²	140	83%	0.832	77%	0.774	S	S	*	*			trans	-95	80.3	168.7	-71.5	173.1	0	0	0	109.5	V630	V630-L632 PolarHBondContact O-N 2.88Å
633	S	26.1	Very low	28.1	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	77%	0.767	S	S	*	*			trans	-142.6	89.5	166.3	56.7	0	0	0	0	112.2	D631	D631-S633 PolarHBondContact O-N 3.35Å
634	A	29.3	Very low	28.4	Very low	90 Å²	90	142.8 Å²	142.8	74%	0.744	78%	0.784	S	S	*	*			trans	-163	89.7	166.2	0	0	0	0	0	112.4
635	N	28.7	Very low	28.7	Very low	159 Å²	159	139.3 Å²	139.3	85%	0.85	78%	0.781	S	S	*	*			trans	152.6	114.7	134.7	-83	-14.6	0	0	0	112.1
636	E	30.5	Very low	28.6	Very low	193 Å²	193	138.1 Å²	138.1	90%	0.902	79%	0.79	S	S	*	*				-162.1	151.2	119.9	-112.1	178.6	173.9	0	0	110.6
637	Q	31.2	Very low	29	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	78%	0.783	S	S	*	*			trans	-111.1	129.9	-170.9	-77.8	-176.9	-38.2	0	0	113.1
638	V	28.3	Very low	28.9	Very low	131 Å²	131	135.7 Å²	135.7	79%	0.794	79%	0.791	S	S	*	*			trans	53.9	110.8	137.4	-173.2	0	0	0	0	119.7
639	K	29.9	Very low	28.9	Very low	206 Å²	206	138.7 Å²	138.7	90%	0.896	80%	0.8	S	S	*	*				-170.1	144.8	125.5	-104.7	178	176.9	-176.6	0	109.1
640	A	28	Very low	28.8	Very low	89 Å²	89	137.7 Å²	137.7	74%	0.736	80%	0.799	S	S	*	*			cis	170.2	112.7	-22.4	0	0	0	0	0	105.5
641	A	32.3	Very low	28.8	Very low	94 Å²	94	137.8 Å²	137.8	78%	0.777	81%	0.805	S	S	*	*			trans	179.7	130.8	155.3	0	0	0	0	0	109
642	D	30.9	Very low	28.7	Very low	153 Å²	153	138 Å²	138	82%	0.818	81%	0.805	S	S	*	*			trans	31.8	134.4	156.9	-54.5	-21	0	0	0	120.1
643	E	30.4	Very low	28.7	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	81%	0.807	S	S	*	*			cis	-152.4	165.1	19.3	-127.6	167.1	-167.4	0	0	111.5
644	T	29.6	Very low	28.7	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	81%	0.808	S	S	*	*			trans	-27	144.6	-177.5	29.8	0	0	0	0	123.6
645	D	30.2	Very low	28.5	Very low	161 Å²	161	142.6 Å²	142.6	86%	0.861	81%	0.812	S	S	*	*			trans	86.2	130.9	145.6	-64.8	-12.8	0	0	0	123.2
646	S	24.2	Very low	28.5	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	81%	0.807	S	S	*	*			trans	-129.5	179.9	-174.9	-136.2	0	0	0	0	107
647	P	33.1	Very low	28.4	Very low	114 Å²	114	136.8 Å²	136.8	74%	0.74	77%	0.774	S	S	*	*			cis	-143	178.6	14.5	40.9	-20.5	0	0	0	117.7
648	A	25.9	Very low	28.3	Very low	92 Å²	92	131 Å²	131	76%	0.76	76%	0.758	S	S	*	*			trans	65.3	104	151.7	0	0	0	0	0	117.9
649	D	27.4	Very low	28.3	Very low	159 Å²	159	127.3 Å²	127.3	85%	0.85	74%	0.736	S	S	*	*			trans	-137.7	142	153.1	-134.9	-26.8	0	0	0	113.5	S651	D649-S651 PolarHBondContact O-N 3.49Å
650	T	26.2	Very low	28.5	Very low	132 Å²	132	118.7 Å²	118.7	81%	0.81	70%	0.7	S	S	*	*			trans	-102.1	72.5	-170.7	-47.4	0	0	0	0	108.8	L652	T650-L652 PolarHBondContact O-N 3.09Å
651	S	27.6	Very low	28.8	Very low	115 Å²	115	118.4 Å²	118.4	80%	0.804	69%	0.692	S	S	*	*			trans	-72.6	104.7	-166.1	57.6	0	0	0	0	113.8	D649 A653	D649-S651 PolarHBondContact O-N 3.49Å; S651-A653 PolarHBondContact O-N 2.92Å
652	L	25.6	Very low	28.6	Very low	153 Å²	153	118.3 Å²	118.3	80%	0.801	68%	0.678	S	S	*	*			trans	-53	120.5	165.2	-71.8	145.7	0	0	0	110.5	T650 F654	T650-L652 PolarHBondContact O-N 3.09Å; L652-F654 PolarHBondContact O-N 2.69Å; L652-F654 VanDerWaalsContact O-N 3.14Å
653	A	26.4	Very low	28.4	Very low	105 Å²	105	114.3 Å²	114.3	87%	0.868	66%	0.66	S	S	*	*			trans	-73.7	104.5	175.2	0	0	0	0	0	110.6	S651	S651-A653 PolarHBondContact O-N 2.92Å
654	F	26.4	Very low	28.2	Very low	170 Å²	170	111.4 Å²	111.4	75%	0.746	66%	0.66	S	S	*	*			trans	-58.5	137.8	176.5	-84.1	-107.3	0	0	0	112.2	L652 R656	L652-F654 PolarHBondContact O-N 2.69Å; L652-F654 VanDerWaalsContact O-N 3.14Å; F654-R656 HydrophobicContact CB-CG 4.26Å; F654-R656 PolarHBondContact O-N 2.89Å
655	Q	26.7	Very low	28.1	Very low	173 Å²	173	110.8 Å²	110.8	81%	0.808	66%	0.656	S	S	*	*			trans	-64	100.5	164.1	-72.3	-179	-18.6	0	0	109.1
656	R	28.5	Very low	28	Very low	199 Å²	199	113.4 Å²	113.4	75%	0.751	65%	0.654	S	S	*	*			trans	-105.5	125.6	175.8	-70.6	-173.3	177.3	-179.8	-1.1	111	F654	F654-R656 HydrophobicContact CB-CG 4.26Å; F654-R656 PolarHBondContact O-N 2.89Å
657	S	28.3	Very low	28.2	Very low	31 Å²	31	116.4 Å²	116.4	22%	0.217	66%	0.655	C	S	.	*			trans	34.6	94.2	152.1	-44.9	0	0	0	0	116.8	D188	D188-S657 VanDerWaalsContact OD2-CB 3.3Å; D188-S657 WeakPolarHBondContact OD2-CB 3.4Å; D188-S657 PolarHBondContact OD2-OG 3.17Å
658	A	27.6	Very low	28	Very low	63 Å²	63	116 Å²	116	52%	0.521	66%	0.655	S	S	.	*			trans	-65.6	143.5	150.4	0	0	0	0	0	108.5
659	P	30	Very low	28.1	Very low	52 Å²	52	119 Å²	119	34%	0.338	66%	0.658	S	S	.	*			trans	-59	164.9	170.2	28.4	-35.5	0	0	0	110	T189 S661	T189-P659 HydrophobicContact CG2-CB 4.36Å; P659-S661 VanDerWaalsContact C-N 3.26Å; P659-S661 PolarHBondContact O-N 2.87Å; P659-S661 PolarHBondContact O-OG 3.47Å
660	I	33	Very low	28.1	Very low	26 Å²	26	120.3 Å²	120.3	13%	0.133	66%	0.659	C	S	.	*			trans	-57.9	91.5	175.9	-59.3	-174	0	0	0	109.3	I43 V51 H422 I662	I43-I660 HydrophobicContact CD1-CD1 4.04Å; I43-I660 HydrophobicContact CD1-CG2 4.48Å; I43-I660 HydrophobicContact CG1-CG2 4.34Å; I43-I660 HydrophobicContact CG2-CD1 4.13Å; V51-I660 HydrophobicContact CG2-CG1 4.32Å; H422-I660 WeakPolarHBondContact ND1-CD1 3.33Å; I660-I662 PolarHBondContact O-N 3.31Å
661	S	33.5	Very low	28.2	Very low	82 Å²	82	118.9 Å²	118.9	57%	0.573	65%	0.654	S	S	*	*			trans	-80.7	118.9	-170.1	-60.5	0	0	0	0	107.8	P659 P663	P659-S661 VanDerWaalsContact C-N 3.26Å; P659-S661 PolarHBondContact O-N 2.87Å; P659-S661 PolarHBondContact O-OG 3.47Å; S661-P663 WeakPolarHBondContact O-CD 3.44Å
662	I	28.4	Very low	28.1	Very low	92 Å²	92	120.7 Å²	120.7	47%	0.472	65%	0.654	S	S	.	*			trans	-73.6	114.7	179.1	-55.5	-170.8	0	0	0	108.2	H426 I660 S664	H426-I662 WeakPolarHBondContact NE2-CD1 3.41Å; I660-I662 PolarHBondContact O-N 3.31Å; I662-S664 PolarHBondContact O-N 3.45Å
663	P	28.2	Very low	28.2	Very low	70 Å²	70	123.1 Å²	123.1	46%	0.455	66%	0.659	S	S	.	*			trans	-76.4	118.4	172	-5.3	24.5	0	0	0	107.8	S661 V665	S661-P663 WeakPolarHBondContact O-CD 3.44Å; P663-V665 PolarHBondContact O-N 2.91Å; P663-V665 VanDerWaalsContact O-N 3.12Å
664	S	25	Very low	28.4	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	65%	0.654	S	S	*	*			trans	-73	103.8	171.9	-167.4	0	0	0	0	109.2	I662 R666	I662-S664 PolarHBondContact O-N 3.45Å; S664-R666 PolarHBondContact O-N 3.05Å
665	V	28.9	Very low	28.3	Very low	105 Å²	105	127.1 Å²	127.1	64%	0.636	66%	0.662	S	S	*	*			trans	-77	103.8	-177.8	179.7	0	0	0	0	109.7	P663	P663-V665 PolarHBondContact O-N 2.91Å; P663-V665 VanDerWaalsContact O-N 3.12Å
666	R	26.7	Very low	28.4	Very low	215 Å²	215	127.1 Å²	127.1	81%	0.811	67%	0.667	S	S	*	*			trans	-73.8	123.9	162.3	-83.3	-175	173.4	168.6	-0.9	109.5	S664 S668	S664-R666 PolarHBondContact O-N 3.05Å; R666-S668 PolarHBondContact O-N 3.28Å
667	Q	29.8	Very low	28.5	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	66%	0.662	S	S	*	*			trans	-65.3	126.9	174.3	-68.3	174.4	-17.3	0	0	110.6	N669	Q667-N669 PolarHBondContact O-N 3.27Å
668	S	27.4	Very low	28.4	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	69%	0.687	S	S	*	*			trans	-82.8	103.2	175.1	57.6	0	0	0	0	111.1	R666	R666-S668 PolarHBondContact O-N 3.28Å
669	N	28.2	Very low	28.5	Very low	156 Å²	156	128.4 Å²	128.4	83%	0.834	70%	0.7	S	S	*	*			trans	-83.1	115.8	164.6	-85.4	-20.9	0	0	0	109.8	Q667	Q667-N669 PolarHBondContact O-N 3.27Å
670	Q	27.1	Very low	28.4	Very low	186 Å²	186	133.6 Å²	133.6	87%	0.869	72%	0.721	S	S	*	*			trans	-86.8	121.3	171.8	-65.9	179.6	-0.2	0	0	110.1
671	S	29.6	Very low	28.2	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	75%	0.753	S	S	*	*			trans	-151.1	106.1	157.7	44.7	0	0	0	0	112.9
672	L	25.6	Very low	28	Very low	153 Å²	153	138.2 Å²	138.2	80%	0.801	76%	0.756	S	S	*	*				59.2	111.1	124.3	-62	165.2	0	0	0	119.7
673	F	28.1	Very low	28	Very low	205 Å²	205	140.2 Å²	140.2	90%	0.899	78%	0.777	S	S	*	*				-172.7	159.3	116.6	-90.2	-55.7	0	0	0	109.6
674	P	29	Very low	28.1	Very low	119 Å²	119	140 Å²	140	77%	0.773	79%	0.787	S	S	*	*			trans	-116.5	162.9	-135	14.3	9.6	0	0	0	116.4
675	R	25.8	Very low	28.3	Very low	240 Å²	240	140.5 Å²	140.5	91%	0.906	79%	0.79	S	S	*	*			trans	-73.8	149.3	166.8	-64.8	178.4	175.2	-172.9	-1.7	111.9
676	L	28.2	Very low	28.3	Very low	173 Å²	173	139.2 Å²	139.2	91%	0.906	80%	0.799	S	S	*	*			trans	-138.2	154	146.8	-83.4	174.9	0	0	0	111.1
677	P	29.8	Very low	28.5	Very low	102 Å²	102	134.7 Å²	134.7	66%	0.662	80%	0.8	S	S	*	*			trans	-139.9	176.9	-148.5	40.1	-19.9	0	0	0	117.9
678	S	27	Very low	28.3	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	80%	0.802	S	S	*	*			trans	75.7	163	140.6	68.8	0	0	0	0	122.4
679	S	29.1	Very low	28.6	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	80%	0.795	S	S	*	*			trans	89.1	138.2	164.5	96.9	0	0	0	0	116
680	M	29.2	Very low	28.6	Very low	161 Å²	161	134.8 Å²	134.8	79%	0.793	80%	0.796	S	S	*	*			cis	-153.4	150.9	-9.2	-62.8	-170	68.4	0	0	112.8
681	S	28.1	Very low	28.6	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	79%	0.785	S	S	*	*			trans	60.9	162.8	140.6	76.9	0	0	0	0	120.3
682	S	29.9	Very low	28.5	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	79%	0.785	S	S	*	*			cis	-157.8	153.4	8.9	71.3	0	0	0	0	113.3
683	C	27.9	Very low	28.5	Very low	134 Å²	134	134 Å²	134	91%	0.905	78%	0.782	S	S	*	*			trans	61.9	147.4	151.6	-57.1	0	0	0	0	119.6
684	G	28.8	Very low	28.5	Very low	65 Å²	65	133.5 Å²	133.5	67%	0.67	78%	0.78	S	S	*	*			cis	-173.8	142.9	-6.2	0	0	0	0	0	107
685	S	29.3	Very low	28.3	Very low	129 Å²	129	137.3 Å²	137.3	90%	0.902	79%	0.785	S	S	*	*				119.4	127.6	73.9	56	0	0	0	0	110.8
686	G	29.8	Very low	28.3	Very low	79 Å²	79	129.6 Å²	129.6	81%	0.814	78%	0.78	S	S	*	*			trans	101.9	131.2	169.7	0	0	0	0	0	115.8
687	S	30.8	Very low	28.2	Very low	120 Å²	120	127.8 Å²	127.8	84%	0.839	78%	0.776	S	S	*	*			cis	-177.4	129.8	-11.3	37.4	0	0	0	0	108.5
688	L	25.3	Very low	28.1	Very low	165 Å²	165	131 Å²	131	86%	0.864	78%	0.783	S	S	*	*			trans	-35.9	176.7	158.3	-76	147	0	0	0	116.8
689	P	33.6	Very low	28	Very low	91 Å²	91	134 Å²	134	59%	0.591	79%	0.785	S	S	*	*			cis	-144	-165	-25.7	37.1	-16.5	0	0	0	114.8
690	Q	28	Very low	28	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	79%	0.787	S	S	*	*			trans	72.9	149	151.6	-80.6	167.6	-18.7	0	0	117.5
691	A	27.9	Very low	27.7	Very low	78 Å²	78	137.5 Å²	137.5	65%	0.645	78%	0.784	S	S	*	*			cis	-161.3	164.2	-0.6	0	0	0	0	0	112.3
692	E	27.9	Very low	27.8	Very low	147 Å²	147	138.2 Å²	138.2	69%	0.687	78%	0.783	S	S	*	*			trans	62.1	115.5	148.8	-70.9	-175.5	140	0	0	121.5
693	R	25	Very low	27.8	Very low	198 Å²	198	140.9 Å²	140.9	75%	0.747	79%	0.789	S	S	*	*				66.3	121.4	98.6	-67.5	174.6	171.3	155.4	-10.6	115.2
694	F	27.1	Very low	27.6	Very low	196 Å²	196	143.9 Å²	143.9	86%	0.86	79%	0.787	S	S	*	*				-176.4	166.6	105.1	-109.3	-82.2	0	0	0	112.9
695	F	25.1	Very low	27.6	Very low	198 Å²	198	148.3 Å²	148.3	87%	0.868	80%	0.796	S	S	*	*			trans	-72.7	160.6	-173.4	-84.4	-108.9	0	0	0	114.9
696	G	27.5	Very low	27.7	Very low	78 Å²	78	144.5 Å²	144.5	80%	0.804	78%	0.777	S	S	*	*			trans	-163.7	86.7	165.5	0	0	0	0	0	113
697	T	24.7	Very low	27.7	Very low	135 Å²	135	145.9 Å²	145.9	83%	0.828	77%	0.774	S	S	*	*			trans	-77.9	142.7	166.2	34.3	0	0	0	0	110.7
698	Q	28.6	Very low	27.5	Very low	171 Å²	171	147.3 Å²	147.3	80%	0.799	77%	0.773	S	S	*	*			trans	-135.3	117.5	163.3	-73.8	-167.6	-11.4	0	0	110.5
699	Q	24.7	Very low	27.4	Very low	169 Å²	169	144.6 Å²	144.6	79%	0.79	77%	0.767	S	S	*	*			trans	-78.2	151.5	162	-77.2	166.1	-94.7	0	0	109.7
700	Y	27.8	Very low	27.2	Very low	208 Å²	208	146.7 Å²	146.7	82%	0.816	78%	0.778	S	S	*	*			trans	-116.6	110.2	159	-90.5	-90.9	0	0	0	108.6
701	D	23.5	Very low	26.9	Very low	136 Å²	136	141.4 Å²	141.4	73%	0.727	77%	0.773	S	S	*	*			trans	-96.7	132.3	167.4	-84.6	-46.4	0	0	0	109.9
702	V	30.6	Very low	26.8	Very low	128 Å²	128	147.9 Å²	147.9	78%	0.776	78%	0.78	S	S	*	*			trans	-141	86.4	161.8	-173.3	0	0	0	0	110.8
703	L	28.9	Very low	26.5	Very low	149 Å²	149	146 Å²	146	78%	0.78	78%	0.784	S	S	*	*			trans	44.7	108.2	133.9	-59.6	171.9	0	0	0	121.7
704	F	23.9	Very low	26.7	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.864	78%	0.781	S	S	*	*				28.2	116.5	128.9	-79.8	-92.7	0	0	0	120.7
705	D	30.2	Very low	26.6	Very low	158 Å²	158	142 Å²	142	85%	0.845	78%	0.779	S	S	*	*				-166.9	174.3	84.5	-149.1	29.8	0	0	0	109.5
706	G	30.1	Very low	26.8	Very low	50 Å²	50	140.1 Å²	140.1	52%	0.515	78%	0.777	S	S	.	*			cis	-172.6	160.4	-2.1	0	0	0	0	0	113.6
707	S	30.2	Very low	26.8	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	76%	0.762	S	S	*	*			trans	30.7	116.8	165.9	63.3	0	0	0	0	122.9
708	D	26.7	Very low	26.9	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	75%	0.754	S	S	*	*				72.6	102.2	125.3	-60.6	-15.8	0	0	0	124.3
709	S	24.5	Very low	27.1	Very low	107 Å²	107	135 Å²	135	75%	0.748	73%	0.734	S	S	*	*				100.4	155.6	114.8	80.3	0	0	0	0	121.4
710	V	28.1	Very low	27.1	Very low	135 Å²	135	131.4 Å²	131.4	82%	0.818	73%	0.727	S	S	*	*			trans	73.9	101.8	174.5	-166.1	0	0	0	0	116.1
711	G	22.5	Very low	27.1	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	73%	0.727	S	S	*	*			trans	-77.2	157.9	177.4	0	0	0	0	0	114.6
712	R	26.1	Very low	27.2	Very low	214 Å²	214	127.2 Å²	127.2	81%	0.808	73%	0.725	S	S	*	*			trans	-137	127.9	160.5	-74.1	-170.7	174.4	176.6	-1.1	110.2	F714	R712-F714 HydrophobicContact CB-CD2 4.06Å; R712-F714 HydrophobicContact CB-CE2 3.83Å
713	S	21.6	Very low	27	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	73%	0.731	S	S	*	*			trans	-65.6	136	163.2	-168.8	0	0	0	0	109.1
714	F	28.7	Very low	27	Very low	157 Å²	157	132.3 Å²	132.3	69%	0.689	74%	0.738	S	S	*	*			trans	-139.4	104.7	165.4	-86.8	-73.3	0	0	0	110.4	R712 L716	R712-F714 HydrophobicContact CB-CD2 4.06Å; R712-F714 HydrophobicContact CB-CE2 3.83Å; F714-L716 PolarHBondContact O-N 3.08Å
715	D	25.3	Very low	27.1	Very low	153 Å²	153	127.7 Å²	127.7	82%	0.818	73%	0.73	S	S	*	*			trans	-60.9	124.6	159	-59.1	-81.2	0	0	0	108.9
716	L	27.9	Very low	26.9	Very low	158 Å²	158	126.1 Å²	126.1	83%	0.827	73%	0.726	S	S	*	*			trans	-121.3	123.7	171.3	-84.8	167.2	0	0	0	110	F714	F714-L716 PolarHBondContact O-N 3.08Å
717	H	28.1	Very low	26.7	Very low	102 Å²	102	128.8 Å²	128.8	47%	0.472	74%	0.737	S	S	.	*			trans	-84	132.2	-169.6	-162.5	-68.8	0	0	0	110.4	L719	H717-L719 PolarHBondContact O-N 3.18Å
718	P	27.5	Very low	26.5	Very low	102 Å²	102	129.2 Å²	129.2	66%	0.662	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	39.4	-171.9	33.3	-38.1	0	0	0	114
719	L	31.6	Very low	26.5	Very low	73 Å²	73	132.1 Å²	132.1	38%	0.382	74%	0.743	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.5	21.9	-179.6	-68.6	-179.3	0	0	0	114	Y176 H717 P721	Y176-L719 HydrophobicContact CE1-CD1 4.36Å; Y176-L719 HydrophobicContact CE1-CD2 4.4Å; H717-L719 PolarHBondContact O-N 3.18Å; L719-P721 WeakPolarHBondContact O-CD 3.25Å
720	S	26.1	Very low	26.7	Very low	93 Å²	93	133 Å²	133	65%	0.65	75%	0.746	S	S	*	*			trans	-87.4	117.2	171.2	-71.9	0	0	0	0	110.7	D722	S720-D722 VanDerWaalsContact C-N 3.26Å; S720-D722 PolarHBondContact O-N 2.99Å; S720-D722 VanDerWaalsContact O-N 3.13Å
721	P	26.9	Very low	26.9	Very low	124 Å²	124	130.5 Å²	130.5	81%	0.805	75%	0.748	S	S	*	*			trans	-89.3	52.8	-177.1	38.4	-36.4	0	0	0	112	L719	L719-P721 WeakPolarHBondContact O-CD 3.25Å
722	D	25.2	Very low	27	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	74%	0.742	S	S	*	*			trans	-136.7	157.2	175.8	-76.6	-60	0	0	0	109.6	S720	S720-D722 VanDerWaalsContact C-N 3.26Å; S720-D722 PolarHBondContact O-N 2.99Å; S720-D722 VanDerWaalsContact O-N 3.13Å
723	F	28	Very low	27.2	Very low	206 Å²	206	131.7 Å²	131.7	90%	0.904	75%	0.747	S	S	*	*			trans	76.6	101.9	-170	-60.4	-87.4	0	0	0	116.8
724	I	28	Very low	27.4	Very low	178 Å²	178	133.4 Å²	133.4	91%	0.913	74%	0.743	S	S	*	*				-158.9	132.5	106.7	-90.8	150	0	0	0	107.9
725	S	26	Very low	27.4	Very low	101 Å²	101	135 Å²	135	71%	0.706	75%	0.753	S	S	*	*			trans	-121.7	140.2	-178.2	105.6	0	0	0	0	111.6
726	V	25.2	Very low	27.4	Very low	124 Å²	124	131.8 Å²	131.8	75%	0.752	74%	0.742	S	S	*	*			trans	23	125.5	147.3	-137.7	0	0	0	0	117.4
727	S	26.5	Very low	27.5	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	74%	0.741	S	S	*	*				175.7	165.5	76.1	-58.8	0	0	0	0	112.8
728	P	27.1	Very low	27.4	Very low	116 Å²	116	134.1 Å²	134.1	75%	0.753	76%	0.757	S	S	*	*			trans	-111.2	166.9	-172.5	41	-33.7	0	0	0	116.5
729	F	26.4	Very low	27.6	Very low	212 Å²	212	135 Å²	135	93%	0.93	76%	0.763	S	S	*	*			trans	-148.3	143.2	167.3	-112.8	-86.3	0	0	0	113.8
730	P	28.7	Very low	27.7	Very low	126 Å²	126	137 Å²	137	82%	0.818	78%	0.78	S	S	*	*			trans	-115.1	166.4	179	40.9	-32.7	0	0	0	115
731	G	30.6	Very low	28	Very low	82 Å²	82	138.8 Å²	138.8	85%	0.845	79%	0.787	S	S	*	*			trans	-159.9	133.1	169.7	0	0	0	0	0	113.7
732	E	26.4	Very low	28.2	Very low	137 Å²	137	139.9 Å²	139.9	64%	0.64	79%	0.786	S	S	*	*			trans	-95.9	149.6	178.7	-59	-178.4	117.5	0	0	112	Q1101	E732-Q1101 WeakPolarHBondContact OE1-CG 3.44Å; E732-Q1101 PolarHBondContact OE1-NE2 3.1Å
733	L	29.4	Very low	28.4	Very low	175 Å²	175	138.9 Å²	138.9	92%	0.916	79%	0.789	S	S	*	*			trans	-137.8	153.2	149.4	-81.5	-177.3	0	0	0	111.4
734	H	26	Very low	28.6	Very low	144 Å²	144	134 Å²	134	67%	0.667	79%	0.787	S	S	*	*			trans	-148.9	128.6	-158.6	-176.9	-55.8	0	0	0	108.9
735	E	28.7	Very low	28.7	Very low	191 Å²	191	135.6 Å²	135.6	89%	0.893	79%	0.787	S	S	*	*			trans	-152.5	164.2	165.3	-130.4	164	-159.8	0	0	112.8
736	S	26.2	Very low	29	Very low	85 Å²	85	135.1 Å²	135.1	59%	0.594	79%	0.79	S	S	*	*			trans	-159.9	-173.2	-154.4	55.5	0	0	0	0	112.2
737	L	29.2	Very low	29.4	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	79%	0.792	S	S	*	*			trans	93.6	111.8	178.8	-49.8	163.5	0	0	0	112.3
738	L	25.5	Very low	29.7	Very low	156 Å²	156	136.7 Å²	136.7	82%	0.817	79%	0.794	S	S	*	*				68.6	147.7	58.5	-64.5	178.1	0	0	0	113.2
739	P	31.4	Very low	30.2	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	80%	0.795	S	S	*	*			cis	-140.2	-173.7	27.7	34.3	-9.7	0	0	0	117.3
740	P	34.9	Very low	30.8	Very low	114 Å²	114	130.8 Å²	130.8	74%	0.74	78%	0.778	S	S	*	*			trans	-119.2	174.3	-171.1	42.9	-32.3	0	0	0	116.3
741	V	31.6	Very low	31.3	Very low	131 Å²	131	131 Å²	131	79%	0.794	77%	0.772	S	S	*	*			trans	-147.1	130.4	161.3	179.1	0	0	0	0	112.7
742	D	31.2	Very low	31.7	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	77%	0.769	S	S	*	*			trans	2.2	165.2	147.8	-50.4	-36.6	0	0	0	121.9
743	S	28.4	Very low	32.3	Very low	110 Å²	110	132 Å²	132	77%	0.769	77%	0.768	S	S	*	*			cis	168.3	142.7	-24.5	74.7	0	0	0	0	106.6
744	A	33.5	Very low	32.9	Very low	105 Å²	105	130.5 Å²	130.5	87%	0.868	75%	0.754	S	S	*	*			trans	179.3	155.8	154.8	0	0	0	0	0	112.1
745	K	29	Very low	33.5	Very low	210 Å²	210	130 Å²	130	91%	0.913	75%	0.752	S	S	*	*			trans	-112.8	151.1	-176.5	-55.9	168.5	178.8	174.9	0	111.5
746	A	33.8	Very low	34.3	Very low	91 Å²	91	124 Å²	124	75%	0.752	74%	0.736	S	S	*	*			trans	-166.8	98.2	147.3	0	0	0	0	0	114.2
747	S	33.9	Very low	35.2	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	73%	0.734	S	S	*	*			trans	41.6	135	136.2	47.1	0	0	0	0	124.2
748	D	30.9	Very low	35.6	Very low	150 Å²	150	123.3 Å²	123.3	80%	0.802	72%	0.721	S	S	*	*			trans	-61.4	132.9	174.4	-53.9	-83	0	0	0	116.6
749	S	38	Very low	36.4	Very low	111 Å²	111	121.9 Å²	121.9	78%	0.776	71%	0.713	S	S	*	*			trans	-155.1	2.8	152.6	74.4	0	0	0	0	115.4
750	V	40.4	Very low	37.2	Very low	94 Å²	94	123 Å²	123	57%	0.57	71%	0.708	S	S	*	*			trans	-104.8	-5.9	-162.9	-177.5	0	0	0	0	114
751	L	37.8	Very low	37.6	Very low	131 Å²	131	123 Å²	123	69%	0.686	70%	0.699	S	S	*	*	H	α-helix	trans	-75.7	-25.1	-171.7	-93.6	161.7	0	0	0	115.4
752	L	39.7	Very low	37.9	Very low	151 Å²	151	121.7 Å²	121.7	79%	0.791	69%	0.686	S	S	*	*	H	α-helix	trans	-81.7	-20.5	-173.3	-84.1	160.5	0	0	0	115.1
753	S	39.1	Very low	38.5	Very low	87 Å²	87	118.1 Å²	118.1	61%	0.608	67%	0.673	S	S	*	*	H	α-helix	trans	-85.5	-30.8	178.1	56.5	0	0	0	0	113.4	Q755	S753-Q755 VanDerWaalsContact C-N 3.31Å; S753-Q755 PolarHBondContact O-N 3.2Å
754	K	41.5	Very low	39.3	Very low	144 Å²	144	114.8 Å²	114.8	63%	0.626	66%	0.656	S	S	*	*	H	α-helix	trans	-70.5	-25.6	178.4	-72.4	-171.2	172.6	-172.8	0	113.5	A756 L758	K754-A756 VanDerWaalsContact C-N 3.34Å; K754-A756 PolarHBondContact O-N 3.46Å; K754-L758 PolarHBondContact O-N 3.2Å
755	Q	39.1	Very low	39.6	Very low	134 Å²	134	113.5 Å²	113.5	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-72.4	-26.6	-177.8	-135.1	170.8	4.9	0	0	113.1	S753	S753-Q755 VanDerWaalsContact C-N 3.31Å; S753-Q755 PolarHBondContact O-N 3.2Å
756	A	45.3	Very low	40.3	Very low	66 Å²	66	107.7 Å²	107.7	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-76	-36.5	177.4	0	0	0	0	0	112.5	K754 L759	K754-A756 VanDerWaalsContact C-N 3.34Å; K754-A756 PolarHBondContact O-N 3.46Å; A756-L759 PolarHBondContact O-N 3.43Å
757	H	45.9	Very low	41.3	Very low	123 Å²	123	106.5 Å²	106.5	57%	0.569	61%	0.61	S	S	*	*	H	α-helix	trans	-69.8	-38.4	-178.5	-142	-77.9	0	0	0	112.3	L759 Q760 E761	H757-L759 VanDerWaalsContact C-N 3.33Å; H757-L759 PolarHBondContact O-N 3.38Å; H757-Q760 PolarHBondContact O-N 3.11Å; H757-E761 IonicContact ND1-OE1 3.25Å; H757-E761 PolarHBondContact O-N 3.4Å
758	L	37.2	Very low	41.9	Very low	100 Å²	100	108.2 Å²	108.2	52%	0.524	61%	0.605	S	S	.	*	H	α-helix	trans	-63.7	-33.9	176	-85.4	164.2	0	0	0	113.3	K754 Q760 L762	K754-L758 PolarHBondContact O-N 3.2Å; L758-Q760 VanDerWaalsContact C-N 3.28Å; L758-Q760 PolarHBondContact O-N 3.42Å; L758-L762 WeakPolarHBondContact O-CB 3.35Å; L758-L762 WeakPolarHBondContact O-CG 3.27Å; L758-L762 PolarHBondContact O-N 2.99Å; L758-L762 VanDerWaalsContact O-N 3.09Å
759	L	42.4	Very low	42.5	Very low	126 Å²	126	107.4 Å²	107.4	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-68.8	-27.7	176	-78.6	168.5	0	0	0	112.6	A756 H757	A756-L759 PolarHBondContact O-N 3.43Å; H757-L759 VanDerWaalsContact C-N 3.33Å; H757-L759 PolarHBondContact O-N 3.38Å
760	Q	47.1	Very low	43.3	Very low	144 Å²	144	106.3 Å²	106.3	67%	0.673	59%	0.589	S	S	*	*	H	α-helix	trans	-78.1	-41.5	176.2	-165	166.9	1	0	0	111.7	H757 L758 S763 G764	H757-Q760 PolarHBondContact O-N 3.11Å; L758-Q760 VanDerWaalsContact C-N 3.28Å; L758-Q760 PolarHBondContact O-N 3.42Å; Q760-S763 PolarHBondContact O-N 3.32Å; Q760-S763 PolarHBondContact O-OG 2.94Å; Q760-G764 PolarHBondContact O-N 3.25Å
761	E	42.7	Very low	44.2	Very low	115 Å²	115	108 Å²	108	54%	0.537	59%	0.588	S	S	.	*	H	α-helix	trans	-62.3	-41.6	174.7	-73.2	177.4	178.6	0	0	112.5	H757 S763 G764 T765	H757-E761 IonicContact ND1-OE1 3.25Å; H757-E761 PolarHBondContact O-N 3.4Å; E761-S763 VanDerWaalsContact C-N 3.25Å; E761-S763 PolarHBondContact O-N 3.45Å; E761-G764 PolarHBondContact O-N 3.15Å; E761-G764 VanDerWaalsContact O-N 3.09Å; E761-T765 PolarHBondContact O-N 3.3Å; E761-T765 VanDerWaalsContact O-N 3.16Å
762	L	39.7	Very low	44.5	Very low	102 Å²	102	104 Å²	104	53%	0.534	57%	0.574	S	S	.	*	H	α-helix	trans	-57.2	-38.3	176.2	-79.7	165.5	0	0	0	112.3	L758 G764 T765 T766	L758-L762 WeakPolarHBondContact O-CB 3.35Å; L758-L762 WeakPolarHBondContact O-CG 3.27Å; L758-L762 PolarHBondContact O-N 2.99Å; L758-L762 VanDerWaalsContact O-N 3.09Å; L762-G764 VanDerWaalsContact C-N 3.33Å; L762-G764 PolarHBondContact O-N 3.47Å; L762-T765 PolarHBondContact O-N 3.3Å; L762-T765 PolarHBondContact O-OG1 2.97Å; L762-T766 PolarHBondContact O-N 3.49Å; L762-T766 PolarHBondContact O-OG1 3.02Å; L762-T766 VanDerWaalsContact O-OG1 3.08Å
763	S	42.7	Very low	45.1	Very low	73 Å²	73	104.1 Å²	104.1	51%	0.51	57%	0.568	S	S	.	*	H	α-helix	trans	-65	-33.8	177.7	76.5	0	0	0	0	113.6	Q760 E761 T766	Q760-S763 PolarHBondContact O-N 3.32Å; Q760-S763 PolarHBondContact O-OG 2.94Å; E761-S763 VanDerWaalsContact C-N 3.25Å; E761-S763 PolarHBondContact O-N 3.45Å; S763-T766 WeakPolarHBondContact CA-OG1 3.3Å; S763-T766 PolarHBondContact O-OG1 3.47Å
764	G	45.4	Very low	46.2	Very low	39 Å²	39	106.4 Å²	106.4	40%	0.402	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-46.4	174.8	0	0	0	0	0	112.1	Q760 E761 L762 T766 A767 E768	Q760-G764 PolarHBondContact O-N 3.25Å; E761-G764 PolarHBondContact O-N 3.15Å; E761-G764 VanDerWaalsContact O-N 3.09Å; L762-G764 VanDerWaalsContact C-N 3.33Å; L762-G764 PolarHBondContact O-N 3.47Å; G764-T766 VanDerWaalsContact C-N 3.28Å; G764-T766 PolarHBondContact O-N 3.22Å; G764-A767 WeakPolarHBondContact O-CB 3.48Å; G764-A767 PolarHBondContact O-N 3.18Å; G764-E768 PolarHBondContact O-N 2.7Å
765	T	39.4	Very low	46.9	Very low	78 Å²	78	104 Å²	104	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-32.6	179.8	58.5	0	0	0	0	113.4	E761 L762 A767 L769	E761-T765 PolarHBondContact O-N 3.3Å; E761-T765 VanDerWaalsContact O-N 3.16Å; L762-T765 PolarHBondContact O-N 3.3Å; L762-T765 PolarHBondContact O-OG1 2.97Å; T765-A767 VanDerWaalsContact C-N 3.34Å; T765-A767 PolarHBondContact O-N 3.47Å; T765-L769 PolarHBondContact O-N 2.98Å; T765-L769 VanDerWaalsContact O-N 3.13Å
766	T	44	Very low	47.5	Very low	88 Å²	88	102.6 Å²	102.6	54%	0.54	56%	0.556	S	S	.	*	H	α-helix	trans	-66.8	-31.7	174	30.3	0	0	0	0	113.7	L762 S763 G764 V770	L762-T766 PolarHBondContact O-N 3.49Å; L762-T766 PolarHBondContact O-OG1 3.02Å; L762-T766 VanDerWaalsContact O-OG1 3.08Å; S763-T766 WeakPolarHBondContact CA-OG1 3.3Å; S763-T766 PolarHBondContact O-OG1 3.47Å; G764-T766 VanDerWaalsContact C-N 3.28Å; G764-T766 PolarHBondContact O-N 3.22Å; T766-V770 WeakPolarHBondContact O-CG2 3.41Å; T766-V770 PolarHBondContact O-N 2.94Å
767	A	54.6	Low	48.1	Very low	66 Å²	66	103.6 Å²	103.6	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-71.3	-40.9	177.8	0	0	0	0	0	111.9	G764 T765 V770 K771	G764-A767 WeakPolarHBondContact O-CB 3.48Å; G764-A767 PolarHBondContact O-N 3.18Å; T765-A767 VanDerWaalsContact C-N 3.34Å; T765-A767 PolarHBondContact O-N 3.47Å; A767-V770 PolarHBondContact O-N 2.87Å; A767-K771 PolarHBondContact O-N 3.3Å
768	E	47.6	Very low	48.7	Very low	151 Å²	151	101 Å²	101	71%	0.706	55%	0.55	S	S	*	*	H	α-helix	trans	-66.3	-37	175.2	-65.2	-162.4	150.1	0	0	112.2	G764 V770 K771 A772	G764-E768 PolarHBondContact O-N 2.7Å; E768-V770 VanDerWaalsContact C-N 3.34Å; E768-V770 PolarHBondContact O-N 3.4Å; E768-K771 PolarHBondContact O-N 2.88Å; E768-A772 WeakPolarHBondContact O-CB 3.42Å; E768-A772 PolarHBondContact O-N 2.92Å
769	L	42.2	Very low	49.1	Very low	133 Å²	133	101.8 Å²	101.8	70%	0.696	55%	0.553	S	S	*	*	H	α-helix	trans	-64.4	-36.8	177.4	-134.3	98.6	0	0	0	112.8	T765 K773	T765-L769 PolarHBondContact O-N 2.98Å; T765-L769 VanDerWaalsContact O-N 3.13Å; L769-K773 PolarHBondContact O-N 3.41Å; L769-K773 VanDerWaalsContact O-N 3.11Å
770	V	55	Low	49.4	Very low	88 Å²	88	101.2 Å²	101.2	53%	0.533	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-45.3	174.8	171	0	0	0	0	110.5	T766 A767 E768 A772 K773 E774	T766-V770 WeakPolarHBondContact O-CG2 3.41Å; T766-V770 PolarHBondContact O-N 2.94Å; A767-V770 PolarHBondContact O-N 2.87Å; E768-V770 VanDerWaalsContact C-N 3.34Å; E768-V770 PolarHBondContact O-N 3.4Å; V770-A772 PolarHBondContact O-N 3.01Å; V770-K773 WeakPolarHBondContact O-CB 3.41Å; V770-K773 PolarHBondContact O-N 3.46Å; V770-K773 VanDerWaalsContact O-N 3.16Å; V770-E774 PolarHBondContact O-N 3.21Å; V770-E774 VanDerWaalsContact O-N 3.12Å
771	K	59.1	Low	50.2	Low	129 Å²	129	97.7 Å²	97.7	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-60.7	-44.4	176.7	-170.4	-172.2	175.4	-156.2	0	112.2	A767 E768 K773 E774 E775	A767-K771 PolarHBondContact O-N 3.3Å; E768-K771 PolarHBondContact O-N 2.88Å; K771-K773 VanDerWaalsContact C-N 3.27Å; K771-K773 PolarHBondContact O-N 2.86Å; K771-E774 PolarHBondContact O-N 2.75Å; K771-E775 VanDerWaalsContact CE-OE1 3.23Å; K771-E775 WeakPolarHBondContact CE-OE1 3.46Å; K771-E775 IonicContact NZ-OE1 3.78Å; K771-E775 PolarHBondContact O-N 2.76Å
772	A	44	Very low	50.7	Low	46 Å²	46	98.7 Å²	98.7	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-36.2	176	0	0	0	0	0	112.3	E768 V770 E775 I776	E768-A772 WeakPolarHBondContact O-CB 3.42Å; E768-A772 PolarHBondContact O-N 2.92Å; V770-A772 PolarHBondContact O-N 3.01Å; A772-E775 PolarHBondContact O-N 2.99Å; A772-I776 VanDerWaalsContact O-CG1 3.31Å; A772-I776 WeakPolarHBondContact O-CG1 3.37Å; A772-I776 PolarHBondContact O-N 3.38Å
773	K	53.5	Low	51	Low	154 Å²	154	99.1 Å²	99.1	67%	0.67	54%	0.536	S	S	*	.	H	α-helix	trans	-65.6	-40.8	175.5	-170.6	179.4	179.6	-178.3	0	112.3	L769 V770 K771 I776 V777	L769-K773 PolarHBondContact O-N 3.41Å; L769-K773 VanDerWaalsContact O-N 3.11Å; V770-K773 WeakPolarHBondContact O-CB 3.41Å; V770-K773 PolarHBondContact O-N 3.46Å; V770-K773 VanDerWaalsContact O-N 3.16Å; K771-K773 VanDerWaalsContact C-N 3.27Å; K771-K773 PolarHBondContact O-N 2.86Å; K773-I776 PolarHBondContact O-N 3.3Å; K773-V777 WeakPolarHBondContact O-CG2 3.42Å; K773-V777 PolarHBondContact O-N 3.19Å; K773-V777 VanDerWaalsContact O-N 3.17Å
774	E	62.2	Low	51.7	Low	135 Å²	135	100.5 Å²	100.5	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-39.9	175.1	-68.3	-178.9	166.6	0	0	112	V770 K771 V777 S778	V770-E774 PolarHBondContact O-N 3.21Å; V770-E774 VanDerWaalsContact O-N 3.12Å; K771-E774 PolarHBondContact O-N 2.75Å; E774-V777 PolarHBondContact O-N 3.16Å; E774-S778 WeakPolarHBondContact O-CB 3.16Å; E774-S778 PolarHBondContact O-N 3.5Å
775	E	56.9	Low	52.1	Low	95 Å²	95	106.2 Å²	106.2	44%	0.444	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-40.4	174.8	-71.9	180	-166.4	0	0	112.1	K771 A772 S778 M779	K771-E775 VanDerWaalsContact CE-OE1 3.23Å; K771-E775 WeakPolarHBondContact CE-OE1 3.46Å; K771-E775 IonicContact NZ-OE1 3.78Å; K771-E775 PolarHBondContact O-N 2.76Å; A772-E775 PolarHBondContact O-N 2.99Å; E775-S778 WeakPolarHBondContact O-CB 3.18Å; E775-S778 PolarHBondContact O-N 2.79Å; E775-M779 WeakPolarHBondContact O-CG 3.4Å; E775-M779 PolarHBondContact O-N 2.96Å
776	I	50.5	Low	52.4	Low	103 Å²	103	111.1 Å²	111.1	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-62.3	-46	175.4	-70.9	164.8	0	0	0	111.5	A772 K773 S778 M779 Q780	A772-I776 VanDerWaalsContact O-CG1 3.31Å; A772-I776 WeakPolarHBondContact O-CG1 3.37Å; A772-I776 PolarHBondContact O-N 3.38Å; K773-I776 PolarHBondContact O-N 3.3Å; I776-S778 VanDerWaalsContact C-N 3.28Å; I776-S778 PolarHBondContact O-N 2.9Å; I776-M779 PolarHBondContact O-N 2.92Å; I776-M779 VanDerWaalsContact O-N 3.09Å; I776-Q780 PolarHBondContact O-N 2.82Å
777	V	57.5	Low	52.4	Low	88 Å²	88	110.1 Å²	110.1	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-63.3	-35.9	177.6	174.1	0	0	0	0	111.7	K773 E774 Q780 T781	K773-V777 WeakPolarHBondContact O-CG2 3.42Å; K773-V777 PolarHBondContact O-N 3.19Å; K773-V777 VanDerWaalsContact O-N 3.17Å; E774-V777 PolarHBondContact O-N 3.16Å; V777-Q780 PolarHBondContact O-N 3.26Å; V777-T781 PolarHBondContact O-N 3.37Å; V777-T781 VanDerWaalsContact O-N 3.17Å; V777-T781 PolarHBondContact O-OG1 2.77Å
778	S	58.5	Low	52.4	Low	67 Å²	67	109.8 Å²	109.8	47%	0.469	56%	0.555	S	S	.	*	H	α-helix	trans	-65.7	-36.3	172.7	-174.6	0	0	0	0	112.7	E774 E775 I776 T781 R782	E774-S778 WeakPolarHBondContact O-CB 3.16Å; E774-S778 PolarHBondContact O-N 3.5Å; E775-S778 WeakPolarHBondContact O-CB 3.18Å; E775-S778 PolarHBondContact O-N 2.79Å; I776-S778 VanDerWaalsContact C-N 3.28Å; I776-S778 PolarHBondContact O-N 2.9Å; S778-T781 PolarHBondContact O-OG1 3.3Å; S778-R782 VanDerWaalsContact O-CG 3.31Å; S778-R782 WeakPolarHBondContact O-CG 3.36Å; S778-R782 PolarHBondContact O-N 3.02Å
779	M	45.5	Very low	52.3	Low	118 Å²	118	106.4 Å²	106.4	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-70.7	-41.8	173	-67.1	-159.6	-136.3	0	0	112.4	E775 I776 T781 R782 L783	E775-M779 WeakPolarHBondContact O-CG 3.4Å; E775-M779 PolarHBondContact O-N 2.96Å; I776-M779 PolarHBondContact O-N 2.92Å; I776-M779 VanDerWaalsContact O-N 3.09Å; M779-T781 PolarHBondContact O-N 2.82Å; M779-R782 WeakPolarHBondContact O-CB 3.49Å; M779-R782 PolarHBondContact O-N 3.07Å; M779-R782 VanDerWaalsContact O-N 3.08Å; M779-L783 PolarHBondContact O-N 3.17Å
780	Q	48.9	Very low	52.3	Low	114 Å²	114	102 Å²	102	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-55.4	-52	177.8	-147.5	86.2	4.9	0	0	111	I776 V777 R782 L783 D784	I776-Q780 PolarHBondContact O-N 2.82Å; V777-Q780 PolarHBondContact O-N 3.26Å; Q780-R782 PolarHBondContact O-N 3.01Å; Q780-R782 VanDerWaalsContact O-N 3.14Å; Q780-L783 WeakPolarHBondContact O-CB 3.14Å; Q780-L783 PolarHBondContact O-N 2.79Å; Q780-D784 PolarHBondContact O-N 3.23Å; Q780-D784 VanDerWaalsContact O-N 3.07Å
781	T	64.5	Low	52.1	Low	69 Å²	69	100.9 Å²	100.9	42%	0.423	53%	0.528	S	S	.	.	H	α-helix	trans	-70.2	-7.8	179	51.4	0	0	0	0	115	V777 S778 M779 R785	V777-T781 PolarHBondContact O-N 3.37Å; V777-T781 VanDerWaalsContact O-N 3.17Å; V777-T781 PolarHBondContact O-OG1 2.77Å; S778-T781 PolarHBondContact O-OG1 3.3Å; M779-T781 PolarHBondContact O-N 2.82Å; T781-R785 PolarHBondContact O-NE 3.31Å; T781-R785 PolarHBondContact O-NH2 3.33Å; T781-R785 VanDerWaalsContact O-NH2 3.12Å
782	R	53.7	Low	51.6	Low	136 Å²	136	101.1 Å²	101.1	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-87.6	-39.4	165.9	-73.4	170.8	60.8	-178.5	-2.2	111.2	S778 M779 Q780 R785 W786	S778-R782 VanDerWaalsContact O-CG 3.31Å; S778-R782 WeakPolarHBondContact O-CG 3.36Å; S778-R782 PolarHBondContact O-N 3.02Å; M779-R782 WeakPolarHBondContact O-CB 3.49Å; M779-R782 PolarHBondContact O-N 3.07Å; M779-R782 VanDerWaalsContact O-N 3.08Å; Q780-R782 PolarHBondContact O-N 3.01Å; Q780-R782 VanDerWaalsContact O-N 3.14Å; R782-R785 PolarHBondContact O-N 3.34Å; R782-W786 PolarHBondContact O-N 3.08Å; R782-W786 VanDerWaalsContact O-N 3.12Å
783	L	44.9	Very low	51.5	Low	112 Å²	112	102.3 Å²	102.3	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-62.6	-45	178.4	-151.9	79.5	0	0	0	111.5	M779 Q780 R785 W786 A787	M779-L783 PolarHBondContact O-N 3.17Å; Q780-L783 WeakPolarHBondContact O-CB 3.14Å; Q780-L783 PolarHBondContact O-N 2.79Å; L783-R785 VanDerWaalsContact C-N 3.3Å; L783-R785 PolarHBondContact O-N 3.45Å; L783-W786 WeakPolarHBondContact O-CB 3.26Å; L783-W786 PolarHBondContact O-N 3.09Å; L783-W786 VanDerWaalsContact O-N 3.1Å; L783-A787 PolarHBondContact O-N 3.46Å
784	D	57	Low	51.2	Low	101 Å²	101	101.6 Å²	101.6	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-61.2	-38.6	178	-62.9	-33.4	0	0	0	112.3	Q780 A787 A788	Q780-D784 PolarHBondContact O-N 3.23Å; Q780-D784 VanDerWaalsContact O-N 3.07Å; D784-A787 PolarHBondContact O-N 2.99Å; D784-A788 PolarHBondContact O-N 3.44Å
785	R	54.6	Low	50.9	Low	160 Å²	160	100 Å²	100	60%	0.604	52%	0.523	S	S	*	.	H	α-helix	trans	-63.7	-42.3	174.1	-98.8	178.6	-73.1	178	-6.4	111.8	T781 R782 L783 A788 T789	T781-R785 PolarHBondContact O-NE 3.31Å; T781-R785 PolarHBondContact O-NH2 3.33Å; T781-R785 VanDerWaalsContact O-NH2 3.12Å; R782-R785 PolarHBondContact O-N 3.34Å; L783-R785 VanDerWaalsContact C-N 3.3Å; L783-R785 PolarHBondContact O-N 3.45Å; R785-A788 PolarHBondContact O-N 3.37Å; R785-T789 PolarHBondContact O-N 3.2Å; R785-T789 PolarHBondContact O-OG1 2.97Å
786	W	46.5	Very low	50.7	Low	181 Å²	181	101.4 Å²	101.4	69%	0.686	53%	0.533	S	S	*	.	H	α-helix	trans	-65.5	-38.7	176.4	-74.1	6.9	0	0	0	112.2	R782 L783 T789 G790	R782-W786 PolarHBondContact O-N 3.08Å; R782-W786 VanDerWaalsContact O-N 3.12Å; L783-W786 WeakPolarHBondContact O-CB 3.26Å; L783-W786 PolarHBondContact O-N 3.09Å; L783-W786 VanDerWaalsContact O-N 3.1Å; W786-T789 PolarHBondContact O-N 3.05Å; W786-G790 PolarHBondContact O-N 3.01Å
787	A	43.7	Very low	50.3	Low	67 Å²	67	101.4 Å²	101.4	55%	0.554	53%	0.533	S	S	*	.	H	α-helix	trans	-60.8	-44.5	174.2	0	0	0	0	0	112	L783 D784 G790 S791	L783-A787 PolarHBondContact O-N 3.46Å; D784-A787 PolarHBondContact O-N 2.99Å; A787-G790 PolarHBondContact O-N 2.74Å; A787-S791 PolarHBondContact O-N 3.37Å; A787-S791 VanDerWaalsContact O-N 3.08Å
788	A	53.9	Low	49.9	Very low	59 Å²	59	100.7 Å²	100.7	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.3	0	0	0	0	0	112.7	D784 R785 G790 S791 Q792	D784-A788 PolarHBondContact O-N 3.44Å; R785-A788 PolarHBondContact O-N 3.37Å; A788-G790 VanDerWaalsContact C-N 3.34Å; A788-G790 PolarHBondContact O-N 2.88Å; A788-S791 PolarHBondContact O-N 3.31Å; A788-Q792 PolarHBondContact O-N 3.12Å
789	T	45.5	Very low	49.7	Very low	80 Å²	80	101 Å²	101	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-39.1	175	-47.7	0	0	0	0	111.7	R785 W786 S791 Q792 L793	R785-T789 PolarHBondContact O-N 3.2Å; R785-T789 PolarHBondContact O-OG1 2.97Å; W786-T789 PolarHBondContact O-N 3.05Å; T789-S791 VanDerWaalsContact C-N 3.32Å; T789-S791 PolarHBondContact O-N 2.97Å; T789-Q792 PolarHBondContact O-N 3.11Å; T789-L793 PolarHBondContact O-N 3.37Å; T789-L793 VanDerWaalsContact O-N 3.1Å
790	G	43.3	Very low	49.7	Very low	39 Å²	39	98.8 Å²	98.8	40%	0.402	53%	0.529	S	S	.	.	H	α-helix	trans	-60.5	-37.3	175.8	0	0	0	0	0	113.3	W786 A787 A788 L793 K794	W786-G790 PolarHBondContact O-N 3.01Å; A787-G790 PolarHBondContact O-N 2.74Å; A788-G790 VanDerWaalsContact C-N 3.34Å; A788-G790 PolarHBondContact O-N 2.88Å; G790-L793 PolarHBondContact O-N 3.19Å; G790-K794 PolarHBondContact O-N 3.14Å
791	S	50.1	Low	49.6	Very low	66 Å²	66	98.2 Å²	98.2	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-42.5	176.6	-159.2	0	0	0	0	112.5	A787 A788 T789 L793 K794 D795	A787-S791 PolarHBondContact O-N 3.37Å; A787-S791 VanDerWaalsContact O-N 3.08Å; A788-S791 PolarHBondContact O-N 3.31Å; T789-S791 VanDerWaalsContact C-N 3.32Å; T789-S791 PolarHBondContact O-N 2.97Å; S791-L793 VanDerWaalsContact C-N 3.29Å; S791-L793 PolarHBondContact O-N 2.96Å; S791-K794 WeakPolarHBondContact O-CB 3.44Å; S791-K794 PolarHBondContact O-N 3.04Å; S791-D795 PolarHBondContact O-N 3.32Å; S791-D795 VanDerWaalsContact O-N 3.16Å
792	Q	48.8	Very low	49.2	Very low	134 Å²	134	102.3 Å²	102.3	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-63.3	-36.5	175.7	-67	-179.1	-10.5	0	0	112.1	A788 T789 D795 L796	A788-Q792 PolarHBondContact O-N 3.12Å; T789-Q792 PolarHBondContact O-N 3.11Å; Q792-D795 PolarHBondContact O-N 3.17Å; Q792-L796 PolarHBondContact O-N 3.31Å
793	L	41.9	Very low	49.4	Very low	70 Å²	70	104.3 Å²	104.3	37%	0.366	54%	0.541	S	S	.	.	H	α-helix	trans	-66	-38.8	175.2	-120.4	160.8	0	0	0	112.1	T789 G790 S791 L796 L797 F956	T789-L793 PolarHBondContact O-N 3.37Å; T789-L793 VanDerWaalsContact O-N 3.1Å; G790-L793 PolarHBondContact O-N 3.19Å; S791-L793 VanDerWaalsContact C-N 3.29Å; S791-L793 PolarHBondContact O-N 2.96Å; L793-L796 PolarHBondContact O-N 3.38Å; L793-L797 HydrophobicContact CD2-CD1 4.12Å; L793-L797 HydrophobicContact CD2-CG 4.36Å; L793-L797 WeakPolarHBondContact O-CB 3.47Å; L793-L797 VanDerWaalsContact O-CG 3.28Å; L793-L797 WeakPolarHBondContact O-CG 3.38Å; L793-L797 PolarHBondContact O-N 3.1Å; L793-F956 HydrophobicContact CD2-CE1 4.06Å; L793-F956 HydrophobicContact CD2-CZ 4.36Å
794	K	47.4	Very low	49.4	Very low	140 Å²	140	102.1 Å²	102.1	61%	0.609	53%	0.529	S	S	*	.	H	α-helix	trans	-60.3	-45.2	174.5	-176.4	-174.8	176.2	-173.7	0	111.7	G790 S791 L797 C798	G790-K794 PolarHBondContact O-N 3.14Å; S791-K794 WeakPolarHBondContact O-CB 3.44Å; S791-K794 PolarHBondContact O-N 3.04Å; K794-L797 PolarHBondContact O-N 3.19Å; K794-C798 PolarHBondContact O-N 3Å; K794-C798 PolarHBondContact O-SG 3.44Å; K794-C798 VanDerWaalsContact O-SG 3.4Å
795	D	55.8	Low	49	Very low	102 Å²	102	98.5 Å²	98.5	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-40.3	-178.8	-65	-25.2	0	0	0	112.2	S791 Q792 C798 S799	S791-D795 PolarHBondContact O-N 3.32Å; S791-D795 VanDerWaalsContact O-N 3.16Å; Q792-D795 PolarHBondContact O-N 3.17Å; D795-C798 PolarHBondContact O-N 2.99Å; D795-S799 PolarHBondContact O-N 3.08Å; D795-S799 VanDerWaalsContact O-N 3.08Å
796	L	51.7	Low	49.4	Very low	123 Å²	123	95.4 Å²	95.4	64%	0.644	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-44.6	172.9	-75.1	170	0	0	0	112.1	Q792 L793 S799 C800	Q792-L796 PolarHBondContact O-N 3.31Å; L793-L796 PolarHBondContact O-N 3.38Å; L796-S799 PolarHBondContact O-N 2.93Å; L796-C800 PolarHBondContact O-N 3.31Å
797	L	42.7	Very low	49.6	Very low	103 Å²	103	92.1 Å²	92.1	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-40.2	177.2	-74.3	168.7	0	0	0	112.2	L793 K794 S799 C800 R801	L793-L797 HydrophobicContact CD2-CD1 4.12Å; L793-L797 HydrophobicContact CD2-CG 4.36Å; L793-L797 WeakPolarHBondContact O-CB 3.47Å; L793-L797 VanDerWaalsContact O-CG 3.28Å; L793-L797 WeakPolarHBondContact O-CG 3.38Å; L793-L797 PolarHBondContact O-N 3.1Å; K794-L797 PolarHBondContact O-N 3.19Å; L797-S799 VanDerWaalsContact C-N 3.33Å; L797-S799 PolarHBondContact O-N 3.23Å; L797-C800 PolarHBondContact O-N 3.45Å; L797-R801 VanDerWaalsContact O-CB 3.31Å; L797-R801 WeakPolarHBondContact O-CB 3.28Å; L797-R801 PolarHBondContact O-N 2.91Å
798	C	48.4	Very low	49.7	Very low	73 Å²	73	93.1 Å²	93.1	49%	0.493	50%	0.499	S	S	.	.	H	α-helix	trans	-61.2	-40.2	173.6	-76.6	0	0	0	0	112.4	K794 D795 R801 K802	K794-C798 PolarHBondContact O-N 3Å; K794-C798 PolarHBondContact O-SG 3.44Å; K794-C798 VanDerWaalsContact O-SG 3.4Å; D795-C798 PolarHBondContact O-N 2.99Å; C798-R801 PolarHBondContact O-N 2.95Å; C798-K802 PolarHBondContact O-N 3.42Å; C798-K802 VanDerWaalsContact O-N 3.13Å
799	S	56	Low	49.8	Very low	75 Å²	75	93.9 Å²	93.9	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-68	-42.7	178.3	-161.6	0	0	0	0	112.4	D795 L796 L797 R803	D795-S799 PolarHBondContact O-N 3.08Å; D795-S799 VanDerWaalsContact O-N 3.08Å; L796-S799 PolarHBondContact O-N 2.93Å; L797-S799 VanDerWaalsContact C-N 3.33Å; L797-S799 PolarHBondContact O-N 3.23Å; S799-R803 PolarHBondContact O-N 3.09Å
800	C	44.2	Very low	50.6	Low	71 Å²	71	95.7 Å²	95.7	48%	0.48	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-43.2	171.4	-82	0	0	0	0	112.3	L796 L797 K802 R803 M804	L796-C800 PolarHBondContact O-N 3.31Å; L797-C800 PolarHBondContact O-N 3.45Å; C800-K802 VanDerWaalsContact C-N 3.31Å; C800-K802 PolarHBondContact O-N 3.42Å; C800-R803 PolarHBondContact O-N 2.92Å; C800-M804 WeakPolarHBondContact O-CG 3.41Å; C800-M804 PolarHBondContact O-N 2.97Å
801	R	46.9	Very low	50.9	Low	102 Å²	102	97.6 Å²	97.6	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-58	-43	179.5	-172.7	176.4	-173	-163.4	-3	111.9	L797 C798 M804 G805 V1013 A1015	L797-R801 VanDerWaalsContact O-CB 3.31Å; L797-R801 WeakPolarHBondContact O-CB 3.28Å; L797-R801 PolarHBondContact O-N 2.91Å; C798-R801 PolarHBondContact O-N 2.95Å; R801-M804 PolarHBondContact O-N 3.17Å; R801-G805 PolarHBondContact O-N 2.96Å; R801-V1013 PolarHBondContact NH2-O 3.41Å; R801-A1015 VanDerWaalsContact CZ-O 3.3Å; R801-A1015 PolarHBondContact NH1-O 3.4Å; R801-A1015 PolarHBondContact NH2-O 3.48Å
802	K	57.1	Low	50.7	Low	155 Å²	155	96.9 Å²	96.9	67%	0.674	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-49.5	177.8	-166.2	174.8	-177.1	-179.9	0	111.5	C798 C800 M804 G805 D806	C798-K802 PolarHBondContact O-N 3.42Å; C798-K802 VanDerWaalsContact O-N 3.13Å; C800-K802 VanDerWaalsContact C-N 3.31Å; C800-K802 PolarHBondContact O-N 3.42Å; K802-M804 VanDerWaalsContact C-N 3.34Å; K802-M804 PolarHBondContact O-N 3.01Å; K802-G805 PolarHBondContact O-N 3.4Å; K802-G805 VanDerWaalsContact O-N 3.1Å; K802-D806 PolarHBondContact O-N 3.38Å; K802-D806 VanDerWaalsContact O-N 3.09Å
803	R	57.5	Low	51.2	Low	178 Å²	178	98.3 Å²	98.3	67%	0.672	51%	0.51	S	S	*	.	H	α-helix	trans	-62.9	-36.5	-179.3	-164.4	-179.7	-63.5	-169.9	0.1	113.3	S799 C800 E807	S799-R803 PolarHBondContact O-N 3.09Å; C800-R803 PolarHBondContact O-N 2.92Å; R803-E807 PolarHBondContact O-N 3.31Å
804	M	44.6	Very low	51.8	Low	65 Å²	65	98.1 Å²	98.1	32%	0.32	52%	0.515	S	S	.	.	H	α-helix	trans	-71.1	-33.5	174	-66.6	-170.8	-51.7	0	0	112.8	C800 R801 K802 L808 L1009 V1013	C800-M804 WeakPolarHBondContact O-CG 3.41Å; C800-M804 PolarHBondContact O-N 2.97Å; R801-M804 PolarHBondContact O-N 3.17Å; K802-M804 VanDerWaalsContact C-N 3.34Å; K802-M804 PolarHBondContact O-N 3.01Å; M804-L808 WeakPolarHBondContact O-CB 3.49Å; M804-L808 WeakPolarHBondContact O-CG 3.32Å; M804-L808 PolarHBondContact O-N 3.4Å; M804-L1009 HydrophobicContact SD-CD2 4.32Å; M804-V1013 HydrophobicContact CE-CG2 4.43Å
805	G	49	Very low	51.7	Low	26 Å²	26	96 Å²	96	27%	0.268	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-40	175.4	0	0	0	0	0	112.6	R801 K802 S809	R801-G805 PolarHBondContact O-N 2.96Å; K802-G805 PolarHBondContact O-N 3.4Å; K802-G805 VanDerWaalsContact O-N 3.1Å; G805-S809 WeakPolarHBondContact O-CB 3.42Å; G805-S809 PolarHBondContact O-N 3.12Å; G805-S809 VanDerWaalsContact O-N 3.13Å; G805-S809 PolarHBondContact O-OG 3.21Å
806	D	62.2	Low	51.5	Low	94 Å²	94	95.8 Å²	95.8	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-52.1	176.5	-59.4	-29.3	0	0	0	110.8	K802 L808 S809 D810	K802-D806 PolarHBondContact O-N 3.38Å; K802-D806 VanDerWaalsContact O-N 3.09Å; D806-L808 PolarHBondContact O-N 3.29Å; D806-S809 WeakPolarHBondContact O-CB 3.49Å; D806-S809 PolarHBondContact O-N 3.16Å; D806-D810 PolarHBondContact O-N 3.35Å
807	E	51.2	Low	51.8	Low	113 Å²	113	93.3 Å²	93.3	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-33.6	179.6	-71	-167.3	-172.7	0	0	114	R803 S809 L811	R803-E807 PolarHBondContact O-N 3.31Å; E807-S809 VanDerWaalsContact C-N 3.29Å; E807-S809 PolarHBondContact O-N 3.42Å; E807-L811 PolarHBondContact O-N 3.11Å
808	L	46.4	Very low	52.2	Low	87 Å²	87	92.9 Å²	92.9	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-32.3	173.7	-84.9	165.5	0	0	0	112.5	M804 D806 L811 A812 V1013	M804-L808 WeakPolarHBondContact O-CB 3.49Å; M804-L808 WeakPolarHBondContact O-CG 3.32Å; M804-L808 PolarHBondContact O-N 3.4Å; D806-L808 PolarHBondContact O-N 3.29Å; L808-L811 PolarHBondContact O-N 3.19Å; L808-A812 WeakPolarHBondContact O-CB 3.41Å; L808-A812 PolarHBondContact O-N 3.26Å; L808-V1013 HydrophobicContact CD1-CG1 4.15Å; L808-V1013 HydrophobicContact CD1-CG2 4.17Å
809	S	55.9	Low	52	Low	75 Å²	75	93.8 Å²	93.8	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-69.6	-44.4	179.2	-58.7	0	0	0	0	111.5	G805 D806 E807 L811 A812 F813	G805-S809 WeakPolarHBondContact O-CB 3.42Å; G805-S809 PolarHBondContact O-N 3.12Å; G805-S809 VanDerWaalsContact O-N 3.13Å; G805-S809 PolarHBondContact O-OG 3.21Å; D806-S809 WeakPolarHBondContact O-CB 3.49Å; D806-S809 PolarHBondContact O-N 3.16Å; E807-S809 VanDerWaalsContact C-N 3.29Å; E807-S809 PolarHBondContact O-N 3.42Å; S809-L811 VanDerWaalsContact C-N 3.31Å; S809-L811 PolarHBondContact O-N 3.03Å; S809-A812 PolarHBondContact O-N 3.36Å; S809-F813 PolarHBondContact O-N 2.99Å
810	D	61.8	Low	52.2	Low	118 Å²	118	95.1 Å²	95.1	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-38	174.8	-78	-12.6	0	0	0	112.2	D806 S814	D806-D810 PolarHBondContact O-N 3.35Å; D810-S814 PolarHBondContact O-N 3.48Å; D810-S814 VanDerWaalsContact O-N 3.13Å; D810-S814 PolarHBondContact O-OG 3.31Å
811	L	49.4	Very low	53.1	Low	80 Å²	80	96.3 Å²	96.3	42%	0.419	50%	0.5	S	S	.	.	H	α-helix	trans	-68.7	-41.3	177.4	-152	105.5	0	0	0	111.8	E807 L808 S809 S814 L815 L944	E807-L811 PolarHBondContact O-N 3.11Å; L808-L811 PolarHBondContact O-N 3.19Å; S809-L811 VanDerWaalsContact C-N 3.31Å; S809-L811 PolarHBondContact O-N 3.03Å; L811-S814 PolarHBondContact O-N 3.03Å; L811-L815 PolarHBondContact O-N 3.1Å; L811-L944 HydrophobicContact CD1-CD2 4.24Å; L811-L944 HydrophobicContact CD2-CD2 4.21Å
812	A	45.6	Very low	53.1	Low	50 Å²	50	96.3 Å²	96.3	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-42	176.7	0	0	0	0	0	112.2	L808 S809 S814 L815 N816	L808-A812 WeakPolarHBondContact O-CB 3.41Å; L808-A812 PolarHBondContact O-N 3.26Å; S809-A812 PolarHBondContact O-N 3.36Å; A812-S814 VanDerWaalsContact C-N 3.34Å; A812-S814 PolarHBondContact O-N 3.43Å; A812-L815 PolarHBondContact O-N 2.95Å; A812-N816 PolarHBondContact O-N 3.48Å
813	F	60.2	Low	52.9	Low	164 Å²	164	91.4 Å²	91.4	72%	0.719	50%	0.496	S	S	*	.	H	α-helix	trans	-59.2	-44.9	174.6	-175.8	-97.2	0	0	0	111.6	S809 L815 N816 S817	S809-F813 PolarHBondContact O-N 2.99Å; F813-L815 VanDerWaalsContact C-N 3.35Å; F813-L815 PolarHBondContact O-N 3.44Å; F813-N816 PolarHBondContact O-N 3.47Å; F813-S817 PolarHBondContact O-N 3.32Å; F813-S817 VanDerWaalsContact O-N 3.15Å
814	S	53.8	Low	53.2	Low	66 Å²	66	89 Å²	89	46%	0.462	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-38.2	175.8	-61.6	0	0	0	0	112.8	D810 L811 A812 M818	D810-S814 PolarHBondContact O-N 3.48Å; D810-S814 VanDerWaalsContact O-N 3.13Å; D810-S814 PolarHBondContact O-OG 3.31Å; L811-S814 PolarHBondContact O-N 3.03Å; A812-S814 VanDerWaalsContact C-N 3.34Å; A812-S814 PolarHBondContact O-N 3.43Å; S814-M818 PolarHBondContact O-N 3.18Å
815	L	45.1	Very low	53.8	Low	95 Å²	95	89.3 Å²	89.3	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-41.4	179.8	-148.1	87.8	0	0	0	112.4	L811 A812 F813 M818 N819	L811-L815 PolarHBondContact O-N 3.1Å; A812-L815 PolarHBondContact O-N 2.95Å; F813-L815 VanDerWaalsContact C-N 3.35Å; F813-L815 PolarHBondContact O-N 3.44Å; L815-M818 HydrophobicContact CD1-CE 3.93Å; L815-M818 PolarHBondContact O-N 2.6Å; L815-N819 PolarHBondContact O-N 3.44Å; L815-N819 VanDerWaalsContact O-N 3.09Å
816	N	51.1	Low	53.8	Low	98 Å²	98	91.6 Å²	91.6	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-43.8	177	-73.7	-15.7	0	0	0	111.4	A812 F813 M818 N819 D820	A812-N816 PolarHBondContact O-N 3.48Å; F813-N816 PolarHBondContact O-N 3.47Å; N816-M818 VanDerWaalsContact C-N 3.28Å; N816-M818 PolarHBondContact O-N 3.16Å; N816-N819 PolarHBondContact O-N 2.89Å; N816-D820 PolarHBondContact O-N 3.46Å
817	S	59.1	Low	53.8	Low	72 Å²	72	90.9 Å²	90.9	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-56.4	-39.4	174.9	-174.9	0	0	0	0	112.8	F813 L821	F813-S817 PolarHBondContact O-N 3.32Å; F813-S817 VanDerWaalsContact O-N 3.15Å; S817-L821 PolarHBondContact O-N 2.88Å
818	M	49.8	Very low	54.4	Low	93 Å²	93	94 Å²	94	46%	0.458	51%	0.51	S	S	.	.	H	α-helix	trans	-69.3	-37.9	174.4	-70.8	-171.9	-67.1	0	0	113.3	S814 L815 N816 L821 L822	S814-M818 PolarHBondContact O-N 3.18Å; L815-M818 HydrophobicContact CD1-CE 3.93Å; L815-M818 PolarHBondContact O-N 2.6Å; N816-M818 VanDerWaalsContact C-N 3.28Å; N816-M818 PolarHBondContact O-N 3.16Å; M818-L821 PolarHBondContact O-N 3.36Å; M818-L822 PolarHBondContact O-N 3.05Å
819	N	45.8	Very low	54.4	Low	93 Å²	93	92.9 Å²	92.9	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-42.4	176.5	-83.4	-29.2	0	0	0	111.9	L815 N816 L821 L822 A823	L815-N819 PolarHBondContact O-N 3.44Å; L815-N819 VanDerWaalsContact O-N 3.09Å; N816-N819 PolarHBondContact O-N 2.89Å; N819-L821 PolarHBondContact O-N 3.45Å; N819-L822 WeakPolarHBondContact O-CB 3.42Å; N819-L822 PolarHBondContact O-N 3.5Å; N819-A823 WeakPolarHBondContact O-CB 3.37Å; N819-A823 PolarHBondContact O-N 3Å
820	D	60.5	Low	54.1	Low	103 Å²	103	95 Å²	95	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-62.3	-42.3	176.1	-77.3	-18	0	0	0	111.7	N816 L822 A823 Q824	N816-D820 PolarHBondContact O-N 3.46Å; D820-L822 VanDerWaalsContact C-N 3.31Å; D820-L822 PolarHBondContact O-N 3.34Å; D820-A823 PolarHBondContact O-N 3.46Å; D820-Q824 VanDerWaalsContact O-CG 3.31Å; D820-Q824 WeakPolarHBondContact O-CG 3.49Å; D820-Q824 PolarHBondContact O-N 3.27Å
821	L	62	Low	54.2	Low	95 Å²	95	92.4 Å²	92.4	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-40.3	175.5	-153.1	86.5	0	0	0	111.7	S817 M818 N819 N825	S817-L821 PolarHBondContact O-N 2.88Å; M818-L821 PolarHBondContact O-N 3.36Å; N819-L821 PolarHBondContact O-N 3.45Å; L821-N825 PolarHBondContact O-N 3.15Å; L821-N825 VanDerWaalsContact O-N 3.14Å; L821-N825 PolarHBondContact O-ND2 2.84Å
822	L	46.8	Very low	54.8	Low	103 Å²	103	94.7 Å²	94.7	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-44.4	177.1	-155.2	92.9	0	0	0	111.5	M818 N819 D820 Q824 N825 V826	M818-L822 PolarHBondContact O-N 3.05Å; N819-L822 WeakPolarHBondContact O-CB 3.42Å; N819-L822 PolarHBondContact O-N 3.5Å; D820-L822 VanDerWaalsContact C-N 3.31Å; D820-L822 PolarHBondContact O-N 3.34Å; L822-Q824 PolarHBondContact O-N 3.15Å; L822-N825 PolarHBondContact O-N 3.46Å; L822-V826 WeakPolarHBondContact O-CG2 3.41Å; L822-V826 PolarHBondContact O-N 3.38Å
823	A	53.4	Low	54.8	Low	52 Å²	52	97.9 Å²	97.9	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-41.3	178.3	0	0	0	0	0	112.2	N819 D820 V826 T827	N819-A823 WeakPolarHBondContact O-CB 3.37Å; N819-A823 PolarHBondContact O-N 3Å; D820-A823 PolarHBondContact O-N 3.46Å; A823-V826 PolarHBondContact O-N 2.99Å; A823-T827 WeakPolarHBondContact O-CB 3.44Å; A823-T827 PolarHBondContact O-N 2.98Å; A823-T827 PolarHBondContact O-OG1 2.63Å
824	Q	64.6	Low	54.7	Low	127 Å²	127	95 Å²	95	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-60.6	-45	173.8	-72.3	175.3	40.2	0	0	111.5	D820 L822 T827 R828	D820-Q824 VanDerWaalsContact O-CG 3.31Å; D820-Q824 WeakPolarHBondContact O-CG 3.49Å; D820-Q824 PolarHBondContact O-N 3.27Å; L822-Q824 PolarHBondContact O-N 3.15Å; Q824-T827 PolarHBondContact O-N 3.41Å; Q824-R828 WeakPolarHBondContact O-CB 3.43Å; Q824-R828 PolarHBondContact O-N 3.4Å
825	N	56.9	Low	55.2	Low	71 Å²	71	97.9 Å²	97.9	38%	0.38	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-40.5	179.6	-78.2	-26.3	0	0	0	113	L821 L822 R828 A829	L821-N825 PolarHBondContact O-N 3.15Å; L821-N825 VanDerWaalsContact O-N 3.14Å; L821-N825 PolarHBondContact O-ND2 2.84Å; L822-N825 PolarHBondContact O-N 3.46Å; N825-R828 PolarHBondContact O-N 2.97Å; N825-A829 PolarHBondContact O-N 2.75Å; N825-A829 VanDerWaalsContact O-N 3.09Å
826	V	48.9	Very low	55.3	Low	75 Å²	75	96.2 Å²	96.2	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-46	174	170.9	0	0	0	0	111.3	L822 A823 R828 A829 Q830	L822-V826 WeakPolarHBondContact O-CG2 3.41Å; L822-V826 PolarHBondContact O-N 3.38Å; A823-V826 PolarHBondContact O-N 2.99Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 2.87Å; V826-A829 PolarHBondContact O-N 3.1Å; V826-A829 VanDerWaalsContact O-N 3.17Å; V826-Q830 PolarHBondContact O-N 3.01Å
827	T	60.8	Low	55.1	Low	79 Å²	79	95.7 Å²	95.7	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-59.4	-43.4	177.7	-52.5	0	0	0	0	111	A823 Q824 A829 Q830 S831	A823-T827 WeakPolarHBondContact O-CB 3.44Å; A823-T827 PolarHBondContact O-N 2.98Å; A823-T827 PolarHBondContact O-OG1 2.63Å; Q824-T827 PolarHBondContact O-N 3.41Å; T827-A829 VanDerWaalsContact C-N 3.29Å; T827-A829 PolarHBondContact O-N 2.98Å; T827-Q830 PolarHBondContact O-N 3.33Å; T827-S831 PolarHBondContact O-N 2.99Å; T827-S831 VanDerWaalsContact O-N 3.07Å; T827-S831 PolarHBondContact O-OG 3.42Å
828	R	63.6	Low	54.6	Low	179 Å²	179	99.3 Å²	99.3	68%	0.675	52%	0.524	S	S	*	.	H	α-helix	trans	-64.1	-31.7	178.3	-151.4	178.9	-151	163.4	6.5	113.2	Q824 N825 V826	Q824-R828 WeakPolarHBondContact O-CB 3.43Å; Q824-R828 PolarHBondContact O-N 3.4Å; N825-R828 PolarHBondContact O-N 2.97Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 2.87Å
829	A	47.7	Very low	54.7	Low	63 Å²	63	103.3 Å²	103.3	52%	0.521	54%	0.539	S	S	.	.	H	α-helix	trans	-74	-40.2	173.8	0	0	0	0	0	112	N825 V826 T827 K832 L833	N825-A829 PolarHBondContact O-N 2.75Å; N825-A829 VanDerWaalsContact O-N 3.09Å; V826-A829 PolarHBondContact O-N 3.1Å; V826-A829 VanDerWaalsContact O-N 3.17Å; T827-A829 VanDerWaalsContact C-N 3.29Å; T827-A829 PolarHBondContact O-N 2.98Å; A829-K832 PolarHBondContact O-N 3.01Å; A829-L833 PolarHBondContact O-N 3.24Å
830	Q	49	Very low	54.9	Low	118 Å²	118	107 Å²	107	55%	0.551	55%	0.553	S	S	*	*	H	α-helix	trans	-62.6	-45.8	177	-74.2	179.5	-23.8	0	0	112.4	V826 T827 K832 L833 I834	V826-Q830 PolarHBondContact O-N 3.01Å; T827-Q830 PolarHBondContact O-N 3.33Å; Q830-K832 VanDerWaalsContact C-N 3.32Å; Q830-K832 PolarHBondContact O-N 3.13Å; Q830-L833 WeakPolarHBondContact O-CB 3.42Å; Q830-L833 PolarHBondContact O-N 2.96Å; Q830-L833 VanDerWaalsContact O-N 3.07Å; Q830-I834 PolarHBondContact O-N 3.24Å; Q830-I834 VanDerWaalsContact O-N 3.09Å
831	S	64.8	Low	54	Low	65 Å²	65	108.7 Å²	108.7	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-58.6	-42.4	179.1	-55	0	0	0	0	112.6	T827 L833 I834 E835	T827-S831 PolarHBondContact O-N 2.99Å; T827-S831 VanDerWaalsContact O-N 3.07Å; T827-S831 PolarHBondContact O-OG 3.42Å; S831-L833 VanDerWaalsContact C-N 3.3Å; S831-L833 PolarHBondContact O-N 3.42Å; S831-I834 PolarHBondContact O-N 2.88Å; S831-E835 PolarHBondContact O-N 3.29Å; S831-E835 VanDerWaalsContact O-N 3.15Å
832	K	60.4	Low	52.9	Low	128 Å²	128	112.1 Å²	112.1	56%	0.557	58%	0.581	S	S	*	*	H	α-helix	trans	-67.4	-27.3	177.1	-73	-176.1	173.7	-173.8	0	113.6	A829 Q830 S836	A829-K832 PolarHBondContact O-N 3.01Å; Q830-K832 VanDerWaalsContact C-N 3.32Å; Q830-K832 PolarHBondContact O-N 3.13Å; K832-S836 PolarHBondContact O-N 3.46Å
833	L	46.9	Very low	52.6	Low	117 Å²	117	111.6 Å²	111.6	61%	0.613	59%	0.592	S	S	*	*	H	α-helix	trans	-75.1	-34.7	175.3	-165.7	72	0	0	0	111.5	A829 Q830 S831 S836 V837	A829-L833 PolarHBondContact O-N 3.24Å; Q830-L833 WeakPolarHBondContact O-CB 3.42Å; Q830-L833 PolarHBondContact O-N 2.96Å; Q830-L833 VanDerWaalsContact O-N 3.07Å; S831-L833 VanDerWaalsContact C-N 3.3Å; S831-L833 PolarHBondContact O-N 3.42Å; L833-S836 PolarHBondContact O-N 3.35Å; L833-S836 PolarHBondContact O-OG 2.84Å; L833-V837 WeakPolarHBondContact O-CG2 3.42Å; L833-V837 PolarHBondContact O-N 3.2Å
834	I	57.5	Low	51.7	Low	102 Å²	102	115.5 Å²	115.5	52%	0.523	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-41.9	175.9	-65.3	166.9	0	0	0	110.5	Q830 S831 S836 V837 Q838	Q830-I834 PolarHBondContact O-N 3.24Å; Q830-I834 VanDerWaalsContact O-N 3.09Å; S831-I834 PolarHBondContact O-N 2.88Å; I834-S836 PolarHBondContact O-N 3.45Å; I834-V837 PolarHBondContact O-N 2.97Å; I834-Q838 PolarHBondContact O-N 3.23Å; I834-Q838 VanDerWaalsContact O-N 3.15Å
835	E	64	Low	50.2	Low	127 Å²	127	116.8 Å²	116.8	59%	0.593	62%	0.62	S	S	*	*	H	α-helix	trans	-61.9	-25.4	175.9	-74.4	-177.2	161.6	0	0	114.3	S831	S831-E835 PolarHBondContact O-N 3.29Å; S831-E835 VanDerWaalsContact O-N 3.15Å
836	S	48.6	Very low	49.1	Very low	61 Å²	61	118.8 Å²	118.8	43%	0.427	64%	0.636	S	S	.	*	H	α-helix	trans	-85.1	-33.8	177.3	70.5	0	0	0	0	112.9	K832 L833 I834	K832-S836 PolarHBondContact O-N 3.46Å; L833-S836 PolarHBondContact O-N 3.35Å; L833-S836 PolarHBondContact O-OG 2.84Å; I834-S836 PolarHBondContact O-N 3.45Å
837	V	45.9	Very low	48.5	Very low	87 Å²	87	123.4 Å²	123.4	53%	0.527	66%	0.657	S	S	.	*	H	α-helix	trans	-70.7	-40.7	177.5	174.6	0	0	0	0	111.5	L833 I834 K839 H840	L833-V837 WeakPolarHBondContact O-CG2 3.42Å; L833-V837 PolarHBondContact O-N 3.2Å; I834-V837 PolarHBondContact O-N 2.97Å; V837-K839 PolarHBondContact O-N 3.49Å; V837-H840 PolarHBondContact O-N 3.01Å; V837-H840 VanDerWaalsContact O-N 3.16Å
838	Q	48.2	Very low	47.2	Very low	147 Å²	147	126.2 Å²	126.2	69%	0.687	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-10.7	-179.8	-75.4	-177.5	-27.9	0	0	114.9	I834	I834-Q838 PolarHBondContact O-N 3.23Å; I834-Q838 VanDerWaalsContact O-N 3.15Å
839	K	52.5	Low	45.7	Very low	178 Å²	178	127.2 Å²	127.2	77%	0.774	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	1.1	176.6	-73.4	-178.8	178.2	173.9	0	114.5	V837	V837-K839 PolarHBondContact O-N 3.49Å
840	H	49.3	Very low	45	Very low	169 Å²	169	132.6 Å²	132.6	78%	0.782	69%	0.686	S	S	*	*	S	Bend	trans	-117.8	-5.5	-168	-103.2	-67.2	0	0	0	117	V837	V837-H840 PolarHBondContact O-N 3.01Å; V837-H840 VanDerWaalsContact O-N 3.16Å
841	D	42	Very low	44.3	Very low	139 Å²	139	134.8 Å²	134.8	74%	0.743	69%	0.694	S	S	*	*			trans	-95.5	1	-170.3	-85.5	-27.5	0	0	0	116.3	A843	D841-A843 VanDerWaalsContact C-N 3.27Å; D841-A843 PolarHBondContact O-N 2.87Å
842	D	39.7	Very low	42.6	Very low	167 Å²	167	138.8 Å²	138.8	89%	0.893	71%	0.706	S	S	*	*			trans	-77.6	36	-172.7	-82.1	-34	0	0	0	116
843	A	39.3	Very low	41.3	Very low	93 Å²	93	138 Å²	138	77%	0.769	71%	0.713	S	S	*	*			trans	-140.6	99.3	-176.3	0	0	0	0	0	117.3	D841	D841-A843 VanDerWaalsContact C-N 3.27Å; D841-A843 PolarHBondContact O-N 2.87Å
844	V	34.8	Very low	40.4	Very low	134 Å²	134	137.6 Å²	137.6	81%	0.812	72%	0.72	S	S	*	*			trans	-46.2	159.3	170.5	-133.3	0	0	0	0	114.3
845	I	33.7	Very low	39	Very low	154 Å²	154	138.2 Å²	138.2	79%	0.79	73%	0.729	S	S	*	*			cis	-161.1	148.3	43.8	-51.3	167.7	0	0	0	113.2
846	P	34.1	Very low	37.2	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	74%	0.738	S	S	*	*			trans	-110.1	161.1	173.1	40.3	-32.4	0	0	0	116.7
847	I	35.3	Very low	36.2	Very low	172 Å²	172	145.8 Å²	145.8	88%	0.882	76%	0.755	S	S	*	*			trans	-142.1	152.5	172.6	-65.6	-175.3	0	0	0	112.6
848	E	34.1	Very low	35.2	Very low	137 Å²	137	147.3 Å²	147.3	64%	0.64	77%	0.767	S	S	*	*			trans	-101.9	154.5	-168.7	-85.5	-160.1	122.2	0	0	118.4
849	R	32.3	Very low	34.3	Very low	200 Å²	200	145 Å²	145	76%	0.755	77%	0.773	S	S	*	*			trans	60.1	133.4	143.3	-67.7	173.5	-157.1	-169.1	14.2	123.5
850	I	32.9	Very low	33.1	Very low	176 Å²	176	143.8 Å²	143.8	90%	0.903	77%	0.773	S	S	*	*				-167.6	161.8	120.5	-94.7	155	0	0	0	109.6
851	K	33.4	Very low	32	Very low	165 Å²	165	141.6 Å²	141.6	72%	0.717	78%	0.777	S	S	*	*			trans	-101.2	146	-159.8	-79.2	175.2	155	-122.3	0	117.1
852	E	28.9	Very low	31.3	Very low	149 Å²	149	139.1 Å²	139.1	70%	0.696	77%	0.77	S	S	*	*			trans	61.4	162.9	134.9	-67.4	174.1	-133.4	0	0	121.1
853	P	33.8	Very low	30.7	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	77%	0.765	S	S	*	*				-141.3	140.7	-51.2	38.4	-21.8	0	0	0	114.6
854	S	27.8	Very low	29.9	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	76%	0.757	S	S	*	*			trans	-166.5	142.3	155.7	53.3	0	0	0	0	115.3
855	T	27.9	Very low	29.5	Very low	116 Å²	116	134.4 Å²	134.4	71%	0.712	76%	0.755	S	S	*	*			trans	67.7	139.4	150.9	36.6	0	0	0	0	122.7
856	F	26.6	Very low	29	Very low	178 Å²	178	136.9 Å²	136.9	78%	0.781	76%	0.756	S	S	*	*			trans	60	98.3	157.9	-65.7	-66	0	0	0	120.9
857	H	28.4	Very low	28.6	Very low	169 Å²	169	142.1 Å²	142.1	78%	0.782	76%	0.763	S	S	*	*				170.8	142.2	98.7	-100.1	-79	0	0	0	112.1	A859	H857-A859 PolarHBondContact O-N 3.42Å
858	P	25.1	Very low	28.1	Very low	119 Å²	119	138.3 Å²	138.3	77%	0.773	76%	0.757	S	S	*	*			trans	-82.7	92.8	172.4	33	-31.5	0	0	0	110.5
859	A	29	Very low	27.7	Very low	98 Å²	98	137.2 Å²	137.2	81%	0.81	76%	0.764	S	S	*	*			trans	-79	123.1	169.2	0	0	0	0	0	110.2	H857 S861	H857-A859 PolarHBondContact O-N 3.42Å; A859-S861 PolarHBondContact O-N 2.92Å; A859-S861 VanDerWaalsContact O-N 3.1Å
860	I	27.5	Very low	27.3	Very low	152 Å²	152	138 Å²	138	78%	0.779	77%	0.767	S	S	*	*			trans	-65	108.2	-179.2	-67.1	158.2	0	0	0	109.1	S862	I860-S862 PolarHBondContact O-N 3.17Å
861	S	25.4	Very low	27	Very low	123 Å²	123	134.8 Å²	134.8	86%	0.86	76%	0.76	S	S	*	*			trans	-75.3	75.8	164.7	-171.7	0	0	0	0	108.7	A859 A863	A859-S861 PolarHBondContact O-N 2.92Å; A859-S861 VanDerWaalsContact O-N 3.1Å; S861-A863 PolarHBondContact O-N 3.49Å
862	S	27.5	Very low	26.7	Very low	88 Å²	88	132.7 Å²	132.7	62%	0.615	76%	0.757	S	S	*	*			trans	-69.5	115.5	166.9	43.3	0	0	0	0	108.1	I860 S864	I860-S862 PolarHBondContact O-N 3.17Å; S862-S864 PolarHBondContact O-N 3.47Å
863	A	26.2	Very low	26.4	Very low	95 Å²	95	131.2 Å²	131.2	79%	0.785	76%	0.762	S	S	*	*			trans	-67.7	81.5	170.3	0	0	0	0	0	109.3	S861 C865	S861-A863 PolarHBondContact O-N 3.49Å; A863-C865 PolarHBondContact O-N 3.13Å
864	S	24	Very low	26.1	Very low	84 Å²	84	134.5 Å²	134.5	59%	0.587	77%	0.768	S	S	*	*			trans	-72	70.7	175.3	-174.5	0	0	0	0	110.2	S862 Y866	S862-S864 PolarHBondContact O-N 3.47Å; S864-Y866 PolarHBondContact O-N 3.05Å; S864-Y866 WeakPolarHBondContact OG-CD2 3.31Å; S864-Y866 WeakPolarHBondContact OG-CE2 3.37Å
865	C	24.8	Very low	26	Very low	115 Å²	115	137 Å²	137	78%	0.777	77%	0.771	S	S	*	*			trans	-75.4	82.4	165.5	-85.9	0	0	0	0	109.3	A863 Y867	A863-C865 PolarHBondContact O-N 3.13Å; C865-Y867 PolarHBondContact O-N 3.43Å; C865-Y867 VanDerWaalsContact O-N 3.1Å
866	Y	23.7	Very low	26	Very low	206 Å²	206	138.9 Å²	138.9	81%	0.808	77%	0.772	S	S	*	*			trans	-53.1	111.3	153.2	-84.3	-101.6	0	0	0	108.6	S864	S864-Y866 PolarHBondContact O-N 3.05Å; S864-Y866 WeakPolarHBondContact OG-CD2 3.31Å; S864-Y866 WeakPolarHBondContact OG-CE2 3.37Å
867	Y	26.9	Very low	26	Very low	223 Å²	223	137.7 Å²	137.7	88%	0.875	77%	0.769	S	S	*	*			trans	-110.3	100.4	151.2	-110.6	-82.3	0	0	0	107.9	C865 S869	C865-Y867 PolarHBondContact O-N 3.43Å; C865-Y867 VanDerWaalsContact O-N 3.1Å; Y867-S869 PolarHBondContact O-N 3.39Å
868	A	23.8	Very low	26	Very low	93 Å²	93	139.8 Å²	139.8	77%	0.769	77%	0.771	S	S	*	*			trans	-69.7	120.4	158.5	0	0	0	0	0	107.4
869	S	25.2	Very low	26.1	Very low	113 Å²	113	138 Å²	138	79%	0.79	77%	0.774	S	S	*	*			trans	-114	118.8	152.7	-167.2	0	0	0	0	106.5	Y867 S871	Y867-S869 PolarHBondContact O-N 3.39Å; S869-S871 PolarHBondContact O-N 3.09Å
870	R	25.5	Very low	26	Very low	216 Å²	216	141.2 Å²	141.2	82%	0.815	78%	0.777	S	S	*	*			trans	-56.2	126.6	177.4	-77.7	171	159.1	143.5	-9.3	109.7	D872	R870-D872 IonicContact NE-OD2 2.68Å
871	S	24.9	Very low	26	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	78%	0.779	S	S	*	*			trans	-65.1	120.9	134	50.8	0	0	0	0	107.2	S869	S869-S871 PolarHBondContact O-N 3.09Å
872	D	27.5	Very low	26.3	Very low	121 Å²	121	140.9 Å²	140.9	65%	0.647	77%	0.771	S	S	*	*			trans	-148.5	128.7	151.5	-87.9	-44.8	0	0	0	108	R870	R870-D872 IonicContact NE-OD2 2.68Å
873	C	23.8	Very low	26.4	Very low	119 Å²	119	143.6 Å²	143.6	80%	0.804	78%	0.779	S	S	*	*			trans	-85.5	132.4	-176.6	-51.9	0	0	0	0	109
874	H	27.6	Very low	26.7	Very low	180 Å²	180	144.5 Å²	144.5	83%	0.833	78%	0.779	S	S	*	*			trans	-125.9	99.5	161.9	-84.3	-65.2	0	0	0	111.1
875	L	24.6	Very low	27.2	Very low	159 Å²	159	147 Å²	147	83%	0.832	79%	0.786	S	S	*	*			trans	-61.5	130	143.9	-78.7	143.9	0	0	0	108.5
876	H	27.5	Very low	27.3	Very low	156 Å²	156	151.2 Å²	151.2	72%	0.722	79%	0.786	S	S	*	*			trans	174	105.3	143	-96.7	-70.9	0	0	0	105.5
877	E	26.9	Very low	27.6	Very low	153 Å²	153	152.1 Å²	152.1	72%	0.715	79%	0.788	S	S	*	*				80.1	121.9	88	-81.1	-167	144.8	0	0	114.4
878	Y	28.9	Very low	27.8	Very low	214 Å²	214	145.9 Å²	145.9	84%	0.839	78%	0.782	S	S	*	*			trans	30.2	102.4	154	-70.8	-84	0	0	0	119.5	L880	Y878-L880 PolarHBondContact O-N 3.1Å
879	G	26.3	Very low	28	Very low	81 Å²	81	145.8 Å²	145.8	84%	0.835	78%	0.782	S	S	*	*			trans	-75.5	115.1	157.9	0	0	0	0	0	112
880	L	28	Very low	28.1	Very low	165 Å²	165	149.6 Å²	149.6	86%	0.864	79%	0.787	S	S	*	*			trans	-122.7	96.2	154.7	-83.7	174.9	0	0	0	109	Y878	Y878-L880 PolarHBondContact O-N 3.1Å
881	D	27.3	Very low	28.3	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	78%	0.783	S	S	*	*			trans	60.7	155.1	142	-147.9	11.5	0	0	0	122.4
882	V	31.8	Very low	28.7	Very low	115 Å²	115	146.9 Å²	146.9	70%	0.697	79%	0.788	S	S	*	*			trans	83	116.2	164.1	-161.6	0	0	0	0	120.2
883	D	29.4	Very low	28.8	Very low	145 Å²	145	150.1 Å²	150.1	78%	0.775	80%	0.8	S	S	*	*			trans	-31.3	145.2	165.5	-60.8	-70.6	0	0	0	119.4
884	S	32.7	Very low	29.2	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	80%	0.797	S	S	*	*				169.8	132.5	109.5	-73.8	0	0	0	0	116.6
885	D	33.2	Very low	29.2	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	80%	0.796	S	S	*	*			trans	48	102.1	147.1	-83.6	-41.3	0	0	0	126
886	R	28.6	Very low	29.2	Very low	203 Å²	203	148.9 Å²	148.9	77%	0.766	80%	0.795	S	S	*	*				57.5	133.7	100.5	-134.4	172.9	-175.4	170.3	2.9	123.2
887	R	28.3	Very low	29.2	Very low	225 Å²	225	146.3 Å²	146.3	85%	0.849	79%	0.791	S	S	*	*			trans	80.4	149.2	162.4	-43.6	176.7	-157.8	-173.7	6.1	115.5
888	A	32.5	Very low	29.2	Very low	91 Å²	91	145.4 Å²	145.4	75%	0.752	79%	0.79	S	S	*	*			cis	-151.2	140.5	-7.5	0	0	0	0	0	107.8
889	A	26.6	Very low	29.1	Very low	92 Å²	92	142.9 Å²	142.9	76%	0.76	78%	0.784	S	S	*	*				63.5	114.4	87.7	0	0	0	0	0	118.2
890	Q	28.9	Very low	29.2	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	78%	0.777	S	S	*	*			trans	91.9	130.8	149.2	-66.6	-179.5	-20.5	0	0	123.5
891	S	28.5	Very low	29.2	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	78%	0.777	S	S	*	*			trans	65	135	155.2	-114.2	0	0	0	0	118.7
892	D	34.3	Very low	29.2	Very low	161 Å²	161	144.2 Å²	144.2	86%	0.861	77%	0.773	S	S	*	*			cis	-159.5	-179.2	49	-98.1	-28.1	0	0	0	114.6
893	Q	28.9	Very low	29	Very low	190 Å²	190	151 Å²	151	89%	0.888	79%	0.786	S	S	*	*			trans	-129.5	112.1	-166	-179.6	-174.6	28.5	0	0	113.3
894	A	31.6	Very low	28.9	Very low	90 Å²	90	151.8 Å²	151.8	74%	0.744	79%	0.789	S	S	*	*			trans	-162	110.3	165.5	0	0	0	0	0	110.1
895	Q	28.1	Very low	28.6	Very low	177 Å²	177	153.9 Å²	153.9	83%	0.827	79%	0.792	S	S	*	*				85.1	122.6	90.9	-81.4	-165.3	-6.1	0	0	116.9
896	M	25.5	Very low	28.3	Very low	164 Å²	164	154.8 Å²	154.8	81%	0.808	80%	0.796	S	S	*	*			trans	65.6	147.1	146.4	-78.4	-171	67.6	0	0	120.6
897	V	27.1	Very low	28.2	Very low	103 Å²	103	152 Å²	152	62%	0.624	80%	0.796	S	S	*	*			cis	-165.3	157.2	-17.2	96.6	0	0	0	0	111
898	L	26.7	Very low	28.3	Very low	133 Å²	133	146.6 Å²	146.6	70%	0.696	79%	0.793	S	S	*	*			trans	42.6	132.2	161.3	-60	166.7	0	0	0	120.5
899	F	26.9	Very low	28.2	Very low	162 Å²	162	150.6 Å²	150.6	71%	0.711	80%	0.8	S	S	*	*				-168.2	141.2	75.8	-119.2	-98.7	0	0	0	114.9
900	K	29.3	Very low	28.3	Very low	159 Å²	159	154.8 Å²	154.8	69%	0.691	80%	0.801	S	S	*	*			trans	11.3	141.2	153.4	-55	-179.2	-171.7	174.8	0	121.1
901	N	26.4	Very low	28.6	Very low	162 Å²	162	152 Å²	152	87%	0.866	79%	0.793	S	S	*	*				56.7	79.1	51	-93.9	-1.3	0	0	0	116.5
902	S	27.4	Very low	28.8	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	80%	0.795	S	S	*	*			trans	-165	106.3	154.4	48.2	0	0	0	0	113.4
903	R	28.8	Very low	28.8	Very low	257 Å²	257	153.3 Å²	153.3	97%	0.97	79%	0.791	S	S	*	*			trans	-116	106.6	144.2	-86	-168.2	176.7	-173.8	0.3	107.3
904	L	26.2	Very low	29	Very low	162 Å²	162	153 Å²	153	85%	0.848	79%	0.789	S	S	*	*			trans	-62.8	137.8	170.1	-70	146.5	0	0	0	108.3
905	N	27.3	Very low	29	Very low	158 Å²	158	153.1 Å²	153.1	85%	0.845	78%	0.782	S	S	*	*			trans	-109.5	130.9	160.3	-148.6	16	0	0	0	107.5
906	L	26.9	Very low	29.1	Very low	157 Å²	157	155.1 Å²	155.1	82%	0.822	78%	0.784	S	S	*	*			trans	-112.3	61.1	-155.3	-170.8	77.5	0	0	0	111
907	D	27	Very low	29.4	Very low	145 Å²	145	152.4 Å²	152.4	78%	0.775	78%	0.777	S	S	*	*			trans	-140.9	79.1	-177.3	-80.4	-53.9	0	0	0	111.9
908	S	29.6	Very low	29.6	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	79%	0.787	S	S	*	*			trans	158.9	99.9	144.5	65.8	0	0	0	0	110.8
909	L	30.6	Very low	30	Very low	175 Å²	175	152.8 Å²	152.8	92%	0.916	79%	0.792	S	S	*	*			trans	177.9	84.1	147.3	-100	154.1	0	0	0	108.4
910	K	29.2	Very low	30.3	Very low	180 Å²	180	150.7 Å²	150.7	78%	0.783	79%	0.794	S	S	*	*			trans	-79.7	159.4	153.6	-86.4	-176.2	172.7	179.7	0	108.8
911	D	34	Very low	30.5	Very low	135 Å²	135	150.5 Å²	150.5	72%	0.722	80%	0.8	S	S	*	*			trans	70.1	92.2	162.6	-47.1	-27.4	0	0	0	116
912	D	33.8	Very low	30.7	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	80%	0.799	S	S	*	*				147.9	137.9	99.9	-97.6	-22.7	0	0	0	117
913	L	33.2	Very low	30.8	Very low	148 Å²	148	149.2 Å²	149.2	78%	0.775	80%	0.803	S	S	*	*			trans	80.7	69.6	150.4	-64.3	163.3	0	0	0	122.6
914	Q	33.2	Very low	30.8	Very low	185 Å²	185	145.6 Å²	145.6	86%	0.864	80%	0.797	S	S	*	*				70.5	154	119.2	-75.2	-144	-16.6	0	0	125
915	P	31.5	Very low	30.9	Very low	91 Å²	91	146 Å²	146	59%	0.591	79%	0.792	S	S	*	*			trans	-130.6	159.3	-158.9	41.5	-23.9	0	0	0	117.1
916	Y	31.3	Very low	30.8	Very low	220 Å²	220	142.8 Å²	142.8	86%	0.863	78%	0.781	S	S	*	*			trans	-148.2	93.1	159.1	-97.1	-89.4	0	0	0	109.4
917	T	30.6	Very low	31.1	Very low	107 Å²	107	140.5 Å²	140.5	66%	0.656	77%	0.769	S	S	*	*				69.3	103.4	91.7	63.3	0	0	0	0	117.5
918	S	32.7	Very low	31.6	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	77%	0.768	S	S	*	*				-176.8	155.9	116.6	37.1	0	0	0	0	111
919	P	35.4	Very low	32.3	Very low	124 Å²	124	140.7 Å²	140.7	81%	0.805	76%	0.756	S	S	*	*			trans	-123.8	-155.1	-148.8	47.4	-31.6	0	0	0	113.2
920	P	33.1	Very low	32.7	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	74%	0.738	S	S	*	*				-119	168.7	-115.4	32.3	-11.1	0	0	0	115
921	I	31.8	Very low	33.5	Very low	156 Å²	156	132.5 Å²	132.5	80%	0.8	73%	0.725	S	S	*	*			trans	-137	118.1	166.9	-59.1	-177.9	0	0	0	110.9
922	D	30.5	Very low	34.1	Very low	161 Å²	161	129.3 Å²	129.3	86%	0.861	71%	0.713	S	S	*	*	S	Bend	trans	40	116.3	156	-56.9	-27.3	0	0	0	122
923	G	29.4	Very low	34.5	Very low	79 Å²	79	125.9 Å²	125.9	81%	0.814	69%	0.694	S	S	*	*			trans	163.3	20.2	168	0	0	0	0	0	116.4	F925	G923-F925 PolarHBondContact O-N 3.2Å
924	Q	30	Very low	35.1	Very low	182 Å²	182	126.4 Å²	126.4	85%	0.85	69%	0.686	S	S	*	*			trans	-81.9	100.9	-168.9	-163.6	165.9	11.6	0	0	112.5	C926	Q924-C926 PolarHBondContact O-N 3.04Å
925	F	27.4	Very low	36.1	Very low	171 Å²	171	124.2 Å²	124.2	75%	0.75	68%	0.676	S	S	*	*			trans	-84.3	101.5	166	-116.1	-88	0	0	0	109.7	G923 I927	G923-F925 PolarHBondContact O-N 3.2Å; F925-I927 PolarHBondContact O-N 2.64Å
926	C	26.6	Very low	36.9	Very low	90 Å²	90	124.2 Å²	124.2	61%	0.608	67%	0.67	S	S	*	*			trans	-68.5	122.8	163.2	-67.7	0	0	0	0	108.8	Q924	Q924-C926 PolarHBondContact O-N 3.04Å
927	I	33.2	Very low	37.4	Very low	109 Å²	109	121.4 Å²	121.4	56%	0.559	66%	0.659	S	S	*	*			trans	-113.1	77.9	169.5	-49.8	-178	0	0	0	108.3	F925 D929 V930	F925-I927 PolarHBondContact O-N 2.64Å; I927-D929 HydrophobicContact CG2-CB 3.7Å; I927-D929 PolarHBondContact O-N 3.09Å; I927-D929 VanDerWaalsContact O-N 3.13Å; I927-V930 HydrophobicContact CG2-CG2 3.86Å
928	E	36.5	Very low	38.5	Very low	164 Å²	164	121 Å²	121	77%	0.766	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-6.8	169.5	-61.5	177.7	146.1	0	0	112.1	S932	E928-S932 PolarHBondContact O-OG 2.74Å
929	D	44.1	Very low	39.8	Very low	94 Å²	94	119 Å²	119	50%	0.503	64%	0.635	S	S	.	*	H	α-helix	trans	-76.9	-25.7	-178.1	-151	13	0	0	0	113.6	I927 S932 L933	I927-D929 HydrophobicContact CG2-CB 3.7Å; I927-D929 PolarHBondContact O-N 3.09Å; I927-D929 VanDerWaalsContact O-N 3.13Å; D929-S932 PolarHBondContact O-N 2.71Å; D929-L933 PolarHBondContact O-N 3.23Å
930	V	38.5	Very low	40.4	Very low	92 Å²	92	117.6 Å²	117.6	56%	0.558	62%	0.616	S	S	*	*	H	α-helix	trans	-71.6	-39.1	179.9	178.8	0	0	0	0	111.6	I927 L933 R934	I927-V930 HydrophobicContact CG2-CG2 3.86Å; V930-L933 PolarHBondContact O-N 2.97Å; V930-R934 WeakPolarHBondContact O-CB 3.47Å; V930-R934 PolarHBondContact O-N 3.21Å
931	D	47	Very low	41.1	Very low	92 Å²	92	116 Å²	116	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-72.6	-30.2	174.3	-84.2	-45.1	0	0	0	111.8	R934 Q935	D931-R934 PolarHBondContact O-N 3.45Å; D931-R934 IonicContact OD1-NH1 2.88Å; D931-R934 PolarHBondContact OD1-NH1 3.42Å; D931-Q935 WeakPolarHBondContact O-CG 3.39Å; D931-Q935 PolarHBondContact O-N 2.94Å
932	S	46.9	Very low	42.2	Very low	68 Å²	68	111.4 Å²	111.4	48%	0.476	59%	0.586	S	S	.	*	H	α-helix	trans	-62.1	-48.2	169.8	-62.4	0	0	0	0	112	E928 D929 R934 Q935 L936	E928-S932 PolarHBondContact O-OG 2.74Å; D929-S932 PolarHBondContact O-N 2.71Å; S932-R934 VanDerWaalsContact C-N 3.32Å; S932-R934 PolarHBondContact O-N 3.4Å; S932-Q935 PolarHBondContact O-N 3.47Å; S932-L936 PolarHBondContact O-N 2.87Å
933	L	42.6	Very low	43.4	Very low	74 Å²	74	108 Å²	108	39%	0.387	57%	0.565	S	S	.	*	H	α-helix	trans	-61.2	-38.8	173.6	-84.8	162.5	0	0	0	112.3	D929 V930 L936 Y937	D929-L933 PolarHBondContact O-N 3.23Å; V930-L933 PolarHBondContact O-N 2.97Å; L933-L936 PolarHBondContact O-N 3.11Å; L933-Y937 WeakPolarHBondContact O-CB 3.46Å; L933-Y937 PolarHBondContact O-N 3.49Å
934	R	45	Very low	44.1	Very low	159 Å²	159	108.3 Å²	108.3	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-65.8	-41.8	176.1	-174.2	-177	179.4	-165.6	1.8	112.2	V930 D931 S932 Y937 L938	V930-R934 WeakPolarHBondContact O-CB 3.47Å; V930-R934 PolarHBondContact O-N 3.21Å; D931-R934 PolarHBondContact O-N 3.45Å; D931-R934 IonicContact OD1-NH1 2.88Å; D931-R934 PolarHBondContact OD1-NH1 3.42Å; S932-R934 VanDerWaalsContact C-N 3.32Å; S932-R934 PolarHBondContact O-N 3.4Å; R934-Y937 PolarHBondContact O-N 3.41Å; R934-L938 HydrophobicContact CG-CD1 4.44Å; R934-L938 VanDerWaalsContact O-CG 3.3Å; R934-L938 WeakPolarHBondContact O-CG 3.25Å; R934-L938 PolarHBondContact O-N 2.92Å; R934-L938 VanDerWaalsContact O-N 3.07Å
935	Q	54.5	Low	44.9	Very low	139 Å²	139	105.6 Å²	105.6	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-43.3	174.2	-75	-168.4	16.9	0	0	111.4	D931 S932 Y937 L938 V939	D931-Q935 WeakPolarHBondContact O-CG 3.39Å; D931-Q935 PolarHBondContact O-N 2.94Å; S932-Q935 PolarHBondContact O-N 3.47Å; Q935-Y937 VanDerWaalsContact C-N 3.34Å; Q935-Y937 PolarHBondContact O-N 3.26Å; Q935-L938 PolarHBondContact O-N 2.79Å; Q935-V939 WeakPolarHBondContact O-CG2 3.32Å; Q935-V939 PolarHBondContact O-N 3.44Å
936	L	47.8	Very low	46.5	Very low	90 Å²	90	101.4 Å²	101.4	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.7	-173.6	65.8	0	0	0	111.9	S932 L933 L938 V939 K940	S932-L936 PolarHBondContact O-N 2.87Å; L933-L936 PolarHBondContact O-N 3.11Å; L936-L938 PolarHBondContact O-N 2.92Å; L936-V939 PolarHBondContact O-N 3.37Å; L936-K940 PolarHBondContact O-N 3.13Å
937	Y	42.2	Very low	47.5	Very low	161 Å²	161	99.8 Å²	99.8	63%	0.631	50%	0.504	S	S	*	.	H	α-helix	trans	-59.6	-43.3	174.6	-178.4	-103.2	0	0	0	112.2	L933 R934 Q935 K940 L941	L933-Y937 WeakPolarHBondContact O-CB 3.46Å; L933-Y937 PolarHBondContact O-N 3.49Å; R934-Y937 PolarHBondContact O-N 3.41Å; Q935-Y937 VanDerWaalsContact C-N 3.34Å; Q935-Y937 PolarHBondContact O-N 3.26Å; Y937-K940 PolarHBondContact O-N 3.03Å; Y937-L941 HydrophobicContact CD1-CD1 3.97Å; Y937-L941 HydrophobicContact CE1-CD1 3.42Å; Y937-L941 VanDerWaalsContact CE1-CD1 3.42Å; Y937-L941 WeakPolarHBondContact O-CB 3.22Å; Y937-L941 PolarHBondContact O-N 3.07Å
938	L	53.4	Low	48	Very low	99 Å²	99	97.2 Å²	97.2	52%	0.518	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-37.8	176.8	-71.2	169.2	0	0	0	112.9	R934 Q935 L936 L941 A942	R934-L938 HydrophobicContact CG-CD1 4.44Å; R934-L938 VanDerWaalsContact O-CG 3.3Å; R934-L938 WeakPolarHBondContact O-CG 3.25Å; R934-L938 PolarHBondContact O-N 2.92Å; R934-L938 VanDerWaalsContact O-N 3.07Å; Q935-L938 PolarHBondContact O-N 2.79Å; L936-L938 PolarHBondContact O-N 2.92Å; L938-L941 PolarHBondContact O-N 2.96Å; L938-A942 PolarHBondContact O-N 3.5Å
939	V	60.7	Low	48.6	Very low	79 Å²	79	94 Å²	94	48%	0.479	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-45.2	174.6	171.1	0	0	0	0	110.9	Q935 L936 L941 A942 E943	Q935-V939 WeakPolarHBondContact O-CG2 3.32Å; Q935-V939 PolarHBondContact O-N 3.44Å; L936-V939 PolarHBondContact O-N 3.37Å; V939-L941 VanDerWaalsContact C-N 3.33Å; V939-L941 PolarHBondContact O-N 3.28Å; V939-A942 WeakPolarHBondContact O-CB 3.24Å; V939-A942 PolarHBondContact O-N 3.34Å; V939-A942 VanDerWaalsContact O-N 3.07Å; V939-E943 PolarHBondContact O-N 3.2Å
940	K	46.8	Very low	48.8	Very low	93 Å²	93	97.6 Å²	97.6	40%	0.404	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-31.9	176.6	-66.9	-47.8	-168.7	-173.4	0	113.5	L936 Y937 A942 E943 L944	L936-K940 PolarHBondContact O-N 3.13Å; Y937-K940 PolarHBondContact O-N 3.03Å; K940-A942 VanDerWaalsContact C-N 3.32Å; K940-E943 WeakPolarHBondContact CD-OE1 3.37Å; K940-E943 WeakPolarHBondContact CD-OE2 3.4Å; K940-E943 WeakPolarHBondContact CE-OE2 3.49Å; K940-E943 IonicContact NZ-OE1 2.78Å; K940-E943 PolarHBondContact NZ-OE1 3.12Å; K940-E943 IonicContact NZ-OE2 3.69Å; K940-E943 PolarHBondContact NZ-OE2 3.1Å; K940-E943 PolarHBondContact O-N 3.01Å; K940-L944 PolarHBondContact O-N 3.5Å; K940-L944 VanDerWaalsContact O-N 3.09Å
941	L	47.1	Very low	49	Very low	84 Å²	84	98.2 Å²	98.2	44%	0.44	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-35.2	168.8	-111.9	157.6	0	0	0	112.7	Y937 L938 V939 K945	Y937-L941 HydrophobicContact CD1-CD1 3.97Å; Y937-L941 HydrophobicContact CE1-CD1 3.42Å; Y937-L941 VanDerWaalsContact CE1-CD1 3.42Å; Y937-L941 WeakPolarHBondContact O-CB 3.22Å; Y937-L941 PolarHBondContact O-N 3.07Å; L938-L941 PolarHBondContact O-N 2.96Å; V939-L941 VanDerWaalsContact C-N 3.33Å; V939-L941 PolarHBondContact O-N 3.28Å; L941-K945 WeakPolarHBondContact O-CB 3.5Å; L941-K945 PolarHBondContact O-N 3.44Å
942	A	56.9	Low	48.8	Very low	59 Å²	59	99.8 Å²	99.8	49%	0.488	49%	0.489	S	S	.	.	H	α-helix	trans	-72.1	-40.7	175.7	0	0	0	0	0	112.5	L938 V939 K940 K945 D946	L938-A942 PolarHBondContact O-N 3.5Å; V939-A942 WeakPolarHBondContact O-CB 3.24Å; V939-A942 PolarHBondContact O-N 3.34Å; V939-A942 VanDerWaalsContact O-N 3.07Å; K940-A942 VanDerWaalsContact C-N 3.32Å; A942-K945 WeakPolarHBondContact O-CB 3.44Å; A942-K945 PolarHBondContact O-N 3Å; A942-K945 VanDerWaalsContact O-N 3.12Å; A942-D946 PolarHBondContact O-N 2.91Å
943	E	54.8	Low	48.2	Very low	89 Å²	89	101.1 Å²	101.1	42%	0.416	50%	0.496	S	S	.	.	H	α-helix	trans	-59.6	-45.5	173.7	-70.7	175.2	-158.9	0	0	112	V939 K940 K945 D946 L947	V939-E943 PolarHBondContact O-N 3.2Å; K940-E943 WeakPolarHBondContact CD-OE1 3.37Å; K940-E943 WeakPolarHBondContact CD-OE2 3.4Å; K940-E943 WeakPolarHBondContact CE-OE2 3.49Å; K940-E943 IonicContact NZ-OE1 2.78Å; K940-E943 PolarHBondContact NZ-OE1 3.12Å; K940-E943 IonicContact NZ-OE2 3.69Å; K940-E943 PolarHBondContact NZ-OE2 3.1Å; K940-E943 PolarHBondContact O-N 3.01Å; E943-K945 PolarHBondContact O-N 3.25Å; E943-D946 PolarHBondContact O-N 3.03Å; E943-L947 PolarHBondContact O-N 3.27Å
944	L	45.1	Very low	47.7	Very low	87 Å²	87	104.6 Å²	104.6	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-33.3	173.9	-81.9	163.8	0	0	0	112.5	L811 K940 S948	L811-L944 HydrophobicContact CD1-CD2 4.24Å; L811-L944 HydrophobicContact CD2-CD2 4.21Å; K940-L944 PolarHBondContact O-N 3.5Å; K940-L944 VanDerWaalsContact O-N 3.09Å; L944-S948 PolarHBondContact O-N 2.82Å
945	K	46.2	Very low	47	Very low	124 Å²	124	101.7 Å²	101.7	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-72.5	-42.1	178.4	-153.6	172.4	-174	178.7	0	111.8	L941 A942 E943 S948 E949	L941-K945 WeakPolarHBondContact O-CB 3.5Å; L941-K945 PolarHBondContact O-N 3.44Å; A942-K945 WeakPolarHBondContact O-CB 3.44Å; A942-K945 PolarHBondContact O-N 3Å; A942-K945 VanDerWaalsContact O-N 3.12Å; E943-K945 PolarHBondContact O-N 3.25Å; K945-S948 PolarHBondContact O-N 3.08Å; K945-S948 PolarHBondContact O-OG 3.33Å; K945-E949 WeakPolarHBondContact O-CG 3.47Å; K945-E949 PolarHBondContact O-N 3.36Å
946	D	59.9	Low	45.9	Very low	84 Å²	84	100.9 Å²	100.9	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-45.9	172.3	180	71.9	0	0	0	111.9	A942 E943 S948 E949 R950	A942-D946 PolarHBondContact O-N 2.91Å; E943-D946 PolarHBondContact O-N 3.03Å; D946-S948 VanDerWaalsContact C-N 3.29Å; D946-S948 PolarHBondContact O-N 2.97Å; D946-E949 PolarHBondContact O-N 3.31Å; D946-R950 WeakPolarHBondContact O-CB 3.32Å; D946-R950 VanDerWaalsContact O-CG 3.32Å; D946-R950 WeakPolarHBondContact O-CG 3.12Å; D946-R950 PolarHBondContact O-N 3.42Å; D946-R950 WeakPolarHBondContact OD2-CD 3.38Å; D946-R950 IonicContact OD2-NH1 2.65Å; D946-R950 PolarHBondContact OD2-NH1 3.39Å
947	L	47.5	Very low	45.1	Very low	56 Å²	56	106 Å²	106	29%	0.293	53%	0.527	S	S	.	.	H	α-helix	trans	-56.5	-43.3	172.8	-96.2	163.3	0	0	0	111.7	E943 R950 L951	E943-L947 PolarHBondContact O-N 3.27Å; L947-R950 PolarHBondContact O-N 2.99Å; L947-L951 WeakPolarHBondContact O-CD1 3.41Å; L947-L951 VanDerWaalsContact O-CG 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.45Å; L947-L951 PolarHBondContact O-N 3.44Å; L947-L951 VanDerWaalsContact O-N 3.11Å
948	S	44.5	Very low	44.5	Very low	55 Å²	55	109.2 Å²	109.2	39%	0.385	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-42	176.1	89.7	0	0	0	0	112.9	L944 K945 D946 L951 K952	L944-S948 PolarHBondContact O-N 2.82Å; K945-S948 PolarHBondContact O-N 3.08Å; K945-S948 PolarHBondContact O-OG 3.33Å; D946-S948 VanDerWaalsContact C-N 3.29Å; D946-S948 PolarHBondContact O-N 2.97Å; S948-L951 PolarHBondContact O-N 3.06Å; S948-K952 WeakPolarHBondContact O-CG 3.48Å; S948-K952 PolarHBondContact O-N 3.28Å
949	E	48.2	Very low	43.4	Very low	97 Å²	97	111.4 Å²	111.4	45%	0.453	55%	0.548	S	S	.	.	H	α-helix	trans	-63.9	-40.6	176.3	-69.5	-65.9	158.1	0	0	111.3	K945 D946 L951 K952	K945-E949 WeakPolarHBondContact O-CG 3.47Å; K945-E949 PolarHBondContact O-N 3.36Å; D946-E949 PolarHBondContact O-N 3.31Å; E949-L951 PolarHBondContact O-N 3.08Å; E949-K952 WeakPolarHBondContact O-CB 3.45Å; E949-K952 PolarHBondContact O-N 3.37Å; E949-K952 VanDerWaalsContact O-N 3.17Å; E949-K952 IonicContact OE1-NZ 2.78Å; E949-K952 PolarHBondContact OE1-NZ 2.93Å; E949-K952 WeakPolarHBondContact OE2-CD 3.39Å; E949-K952 VanDerWaalsContact OE2-CE 3.31Å; E949-K952 WeakPolarHBondContact OE2-CE 3.24Å; E949-K952 IonicContact OE2-NZ 3.39Å; E949-K952 PolarHBondContact OE2-NZ 3.41Å
950	R	48.6	Very low	41.9	Very low	169 Å²	169	112.1 Å²	112.1	64%	0.638	56%	0.562	S	S	*	*	H	α-helix	trans	-69.2	-17.2	177.3	-72.2	168.1	60.3	-167.8	-6.4	113.9	D946 L947 P953	D946-R950 WeakPolarHBondContact O-CB 3.32Å; D946-R950 VanDerWaalsContact O-CG 3.32Å; D946-R950 WeakPolarHBondContact O-CG 3.12Å; D946-R950 PolarHBondContact O-N 3.42Å; D946-R950 WeakPolarHBondContact OD2-CD 3.38Å; D946-R950 IonicContact OD2-NH1 2.65Å; D946-R950 PolarHBondContact OD2-NH1 3.39Å; L947-R950 PolarHBondContact O-N 2.99Å; R950-P953 WeakPolarHBondContact O-CD 3.29Å
951	L	42.6	Very low	40.9	Very low	104 Å²	104	113.8 Å²	113.8	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-91.1	-13.3	173.3	-71.1	166.8	0	0	0	113.5	L947 S948 E949	L947-L951 WeakPolarHBondContact O-CD1 3.41Å; L947-L951 VanDerWaalsContact O-CG 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.45Å; L947-L951 PolarHBondContact O-N 3.44Å; L947-L951 VanDerWaalsContact O-N 3.11Å; S948-L951 PolarHBondContact O-N 3.06Å; E949-L951 PolarHBondContact O-N 3.08Å
952	K	43.2	Very low	39.9	Very low	125 Å²	125	114.2 Å²	114.2	54%	0.543	59%	0.588	S	S	.	*	S	Bend	trans	-63.1	-31.2	176.3	-67.9	-177.6	-170.7	171.2	0	116.4	S948 E949 F954	S948-K952 WeakPolarHBondContact O-CG 3.48Å; S948-K952 PolarHBondContact O-N 3.28Å; E949-K952 WeakPolarHBondContact O-CB 3.45Å; E949-K952 PolarHBondContact O-N 3.37Å; E949-K952 VanDerWaalsContact O-N 3.17Å; E949-K952 IonicContact OE1-NZ 2.78Å; E949-K952 PolarHBondContact OE1-NZ 2.93Å; E949-K952 WeakPolarHBondContact OE2-CD 3.39Å; E949-K952 VanDerWaalsContact OE2-CE 3.31Å; E949-K952 WeakPolarHBondContact OE2-CE 3.24Å; E949-K952 IonicContact OE2-NZ 3.39Å; E949-K952 PolarHBondContact OE2-NZ 3.41Å; K952-F954 PolarHBondContact O-N 3.33Å
953	P	35.3	Very low	38.6	Very low	96 Å²	96	117.8 Å²	117.8	62%	0.623	61%	0.607	S	S	*	*			trans	-83.5	54.7	-176.9	34.4	-34.8	0	0	0	113.2	R950	R950-P953 WeakPolarHBondContact O-CD 3.29Å
954	F	30.9	Very low	37.3	Very low	147 Å²	147	123.3 Å²	123.3	65%	0.645	63%	0.629	S	S	*	*			trans	-124.7	46.9	169.1	-91.6	-78.5	0	0	0	112.4	K952 F956	K952-F954 PolarHBondContact O-N 3.33Å; F954-F956 PolarHBondContact O-N 3.4Å
955	S	30.2	Very low	36.3	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	64%	0.642	S	S	*	*			trans	-66.7	96.8	172.4	-59.4	0	0	0	0	111.6	H957	S955-H957 PolarHBondContact O-N 3.5Å
956	F	32.1	Very low	35.4	Very low	122 Å²	122	125.1 Å²	125.1	54%	0.535	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-60.3	-4	176.9	-96.5	-88.5	0	0	0	115.3	L793 F954 R958 M959	L793-F956 HydrophobicContact CD2-CE1 4.06Å; L793-F956 HydrophobicContact CD2-CZ 4.36Å; F954-F956 PolarHBondContact O-N 3.4Å; F956-R958 PolarHBondContact O-N 2.9Å; F956-M959 HydrophobicContact CD1-CE 4.1Å; F956-M959 HydrophobicContact CE1-CE 4.02Å
957	H	31.9	Very low	33.9	Very low	197 Å²	197	125.8 Å²	125.8	91%	0.912	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-62.6	2.1	179.5	-108.1	-60.4	0	0	0	116.3	S955	S955-H957 PolarHBondContact O-N 3.5Å
958	R	29.6	Very low	32.9	Very low	229 Å²	229	129.7 Å²	129.7	86%	0.864	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-118.8	7.8	-173.8	-134.3	-179.6	-162.2	-178.9	5.9	116.1	F956	F956-R958 PolarHBondContact O-N 2.9Å
959	M	28.6	Very low	32.2	Very low	146 Å²	146	131.6 Å²	131.6	72%	0.719	71%	0.708	S	S	*	*	S	Bend	trans	-121.4	15.7	-172	-80.2	-170.1	-78.4	0	0	116.3	F956	F956-M959 HydrophobicContact CD1-CE 4.1Å; F956-M959 HydrophobicContact CE1-CE 4.02Å
960	A	29.5	Very low	31.3	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	73%	0.727	S	S	*	*			trans	-129.1	30.9	179.3	0	0	0	0	0	114.9	P962	A960-P962 WeakPolarHBondContact O-CD 3.46Å
961	T	26.3	Very low	30.4	Very low	127 Å²	127	133.4 Å²	133.4	78%	0.779	74%	0.737	S	S	*	*			trans	-97	105.8	163.5	44	0	0	0	0	110.3
962	P	27.2	Very low	29.8	Very low	94 Å²	94	131.4 Å²	131.4	61%	0.61	74%	0.742	S	S	*	*			trans	-70	148.5	162.6	30.7	-32.1	0	0	0	109.8	A960 F964	A960-P962 WeakPolarHBondContact O-CD 3.46Å; P962-F964 PolarHBondContact O-N 3.32Å
963	P	28.5	Very low	29.1	Very low	134 Å²	134	131.3 Å²	131.3	87%	0.87	75%	0.751	S	S	*	*			trans	-74.4	121.7	-173.9	29.1	-34.1	0	0	0	112
964	F	26.8	Very low	28.8	Very low	204 Å²	204	135.8 Å²	135.8	90%	0.895	76%	0.761	S	S	*	*			trans	-97.2	108.6	165	-85.5	-89.6	0	0	0	109.9	P962	P962-F964 PolarHBondContact O-N 3.32Å
965	A	25.6	Very low	28.7	Very low	88 Å²	88	133.9 Å²	133.9	73%	0.727	77%	0.766	S	S	*	*			trans	-166.5	157.1	163.2	0	0	0	0	0	111.5
966	L	27.2	Very low	29.2	Very low	161 Å²	161	134.1 Å²	134.1	84%	0.843	77%	0.766	S	S	*	*			trans	80.7	95.8	174.9	-54.5	169.8	0	0	0	114.3
967	S	27.1	Very low	29	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	77%	0.774	S	S	*	*				84.5	129.8	88.9	66.5	0	0	0	0	111.8
968	T	27.3	Very low	29	Very low	138 Å²	138	131.2 Å²	131.2	85%	0.847	76%	0.763	S	S	*	*			cis	-164.4	163.4	13.9	25.2	0	0	0	0	105.7
969	S	30	Very low	29.1	Very low	94 Å²	94	124.7 Å²	124.7	66%	0.657	75%	0.748	S	S	*	*			cis	-160.9	141.4	25.9	47.8	0	0	0	0	112
970	E	28.7	Very low	29.2	Very low	183 Å²	183	124.7 Å²	124.7	86%	0.855	75%	0.746	S	S	*	*			trans	42.6	121.5	133.4	-53.8	177.5	177.9	0	0	119.6
971	S	30.8	Very low	29.2	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	74%	0.742	S	S	*	*				173.9	164.2	62	44.9	0	0	0	0	112.1
972	G	29.2	Very low	29.3	Very low	62 Å²	62	127 Å²	127	64%	0.639	74%	0.74	S	S	*	*			trans	92.7	60.1	158.7	0	0	0	0	0	117.5
973	T	28	Very low	29.3	Very low	122 Å²	122	130.6 Å²	130.6	75%	0.748	75%	0.749	S	S	*	*				64.4	117.3	95	64.9	0	0	0	0	118.2
974	F	28.4	Very low	29.3	Very low	190 Å²	190	131 Å²	131	83%	0.833	74%	0.743	S	S	*	*			trans	121.6	92.7	145.2	-73.9	-77.6	0	0	0	113.3
975	S	29.2	Very low	29.3	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	74%	0.74	S	S	*	*				86.6	150.1	68.6	-89.9	0	0	0	0	113.3
976	P	40.6	Very low	29.3	Very low	104 Å²	104	130.4 Å²	130.4	68%	0.675	75%	0.745	S	S	*	*				-123.5	-160.8	-121.7	37.6	-20.2	0	0	0	111.8
977	D	28.2	Very low	29.5	Very low	134 Å²	134	129 Å²	129	72%	0.717	75%	0.746	S	S	*	*				179.8	152.4	121.9	-90.7	-13.9	0	0	0	114.1
978	N	31.7	Very low	29.4	Very low	124 Å²	124	128.1 Å²	128.1	66%	0.663	75%	0.752	S	S	*	*			trans	60.9	101.9	162.1	-56.3	-30.7	0	0	0	117.3
979	V	31.6	Very low	29.3	Very low	92 Å²	92	130.3 Å²	130.3	56%	0.558	76%	0.756	S	S	*	*			cis	63.3	114.6	26.4	-155.9	0	0	0	0	113.7	E981	V979-E981 HydrophobicContact CG1-CG 4.2Å
980	H	30.4	Very low	29.3	Very low	146 Å²	146	131.1 Å²	131.1	68%	0.676	76%	0.758	S	S	*	*				170	111.6	115.6	-82.7	-60.9	0	0	0	107.1
981	E	30.1	Very low	29.1	Very low	147 Å²	147	127.4 Å²	127.4	69%	0.687	75%	0.753	S	S	*	*				61.3	126.1	69.8	-64.1	178.7	148.4	0	0	112.7	V979	V979-E981 HydrophobicContact CG1-CG 4.2Å
982	T	28	Very low	28.8	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	76%	0.756	S	S	*	*				-173.9	111.3	110.7	-64.6	0	0	0	0	107.7
983	E	28.6	Very low	28.7	Very low	170 Å²	170	134.7 Å²	134.7	79%	0.794	76%	0.757	S	S	*	*			trans	-4.8	153.2	141.6	-50.5	-177.5	129.9	0	0	118.5
984	L	28.1	Very low	28.8	Very low	144 Å²	144	133.3 Å²	133.3	75%	0.754	75%	0.745	S	S	*	*				174.7	109.2	111.4	-90.1	161	0	0	0	112.5
985	L	25.4	Very low	28.8	Very low	157 Å²	157	130.1 Å²	130.1	82%	0.822	73%	0.733	S	S	*	*			trans	12	123	138	-65.9	159.4	0	0	0	119.2
986	S	25.9	Very low	29	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	72%	0.722	S	S	*	*				-169.1	146.6	127	-84.9	0	0	0	0	113.7
987	P	31.3	Very low	28.8	Very low	131 Å²	131	127.8 Å²	127.8	85%	0.851	71%	0.709	S	S	*	*			trans	-96.2	147.3	176.8	36.8	-32.8	0	0	0	113.1
988	G	26.4	Very low	29	Very low	81 Å²	81	125.3 Å²	125.3	84%	0.835	70%	0.696	S	S	*	*			trans	-165.5	116.5	179.7	0	0	0	0	0	115.9
989	M	24	Very low	29.2	Very low	185 Å²	185	127.3 Å²	127.3	91%	0.911	69%	0.694	S	S	*	*			trans	-63.1	174.5	177.9	-87.1	-74.1	-76.1	0	0	115.1
990	P	29.8	Very low	29.7	Very low	110 Å²	110	126.3 Å²	126.3	71%	0.714	69%	0.691	S	S	*	*			trans	-101.2	170.2	-132.7	40.4	-40.3	0	0	0	115.8
991	S	25.5	Very low	30.1	Very low	106 Å²	106	123.7 Å²	123.7	74%	0.741	68%	0.681	S	S	*	*			trans	-140.9	125.3	158.5	57.4	0	0	0	0	112.4
992	F	24.1	Very low	30.4	Very low	212 Å²	212	120.7 Å²	120.7	93%	0.93	67%	0.673	S	S	*	*			trans	14.9	97.9	163.1	-60.6	-88.1	0	0	0	118.9
993	L	27.9	Very low	31.1	Very low	125 Å²	125	120.3 Å²	120.3	65%	0.654	66%	0.66	S	S	*	*			trans	-70.2	133.7	157.8	-81.2	158	0	0	0	110	D997	L993-D997 HydrophobicContact CD2-CB 4.18Å
994	D	30.2	Very low	31.8	Very low	93 Å²	93	115.8 Å²	115.8	50%	0.497	65%	0.647	S	S	.	*			trans	-71.1	158.1	-176.4	-173.3	26.9	0	0	0	112.5	T996 D997 L998	D994-T996 PolarHBondContact O-N 3.1Å; D994-T996 VanDerWaalsContact O-N 3.16Å; D994-T996 WeakPolarHBondContact OD2-CG2 3.49Å; D994-T996 PolarHBondContact OD2-OG1 3.07Å; D994-D997 PolarHBondContact O-N 3.17Å; D994-L998 PolarHBondContact O-N 3.14Å
995	E	28	Very low	32.2	Very low	123 Å²	123	112.2 Å²	112.2	58%	0.575	63%	0.633	S	S	*	*	H	α-helix	trans	-62.6	-23.7	-179.8	-148.3	-161.8	139.8	0	0	111.9	R999	E995-R999 VanDerWaalsContact O-CG 3.31Å; E995-R999 WeakPolarHBondContact O-CG 3.16Å; E995-R999 PolarHBondContact O-N 3.12Å; E995-R999 VanDerWaalsContact O-N 3.15Å; E995-R999 IonicContact OE1-CZ 2.74Å; E995-R999 IonicContact OE1-NE 3.58Å; E995-R999 PolarHBondContact OE1-NE 3.03Å; E995-R999 IonicContact OE1-NH2 3.04Å; E995-R999 PolarHBondContact OE1-NH2 3.36Å
996	T	33.3	Very low	32.9	Very low	85 Å²	85	107.9 Å²	107.9	52%	0.521	61%	0.613	S	S	.	*	H	α-helix	trans	-69.9	-45.4	175.3	56.6	0	0	0	0	112.8	D994 R999 S1000	D994-T996 PolarHBondContact O-N 3.1Å; D994-T996 VanDerWaalsContact O-N 3.16Å; D994-T996 WeakPolarHBondContact OD2-CG2 3.49Å; D994-T996 PolarHBondContact OD2-OG1 3.07Å; T996-R999 PolarHBondContact O-N 3.38Å; T996-S1000 WeakPolarHBondContact O-CB 3.44Å; T996-S1000 PolarHBondContact O-N 3.07Å
997	D	35.5	Very low	33.8	Very low	76 Å²	76	105.5 Å²	105.5	41%	0.406	59%	0.591	S	S	.	*	H	α-helix	trans	-67.8	-37.2	177.2	-82.5	-27.6	0	0	0	111.7	L993 D994 S1000 I1001	L993-D997 HydrophobicContact CD2-CB 4.18Å; D994-D997 PolarHBondContact O-N 3.17Å; D997-S1000 WeakPolarHBondContact O-CB 3.33Å; D997-S1000 PolarHBondContact O-N 3.36Å; D997-I1001 WeakPolarHBondContact O-CB 3.49Å; D997-I1001 VanDerWaalsContact O-CG1 3.29Å; D997-I1001 WeakPolarHBondContact O-CG1 3.49Å; D997-I1001 PolarHBondContact O-N 2.98Å
998	L	33.4	Very low	34	Very low	82 Å²	82	102.4 Å²	102.4	43%	0.429	57%	0.57	S	S	.	*	H	α-helix	trans	-63.8	-39.8	172.4	-91.3	165.4	0	0	0	112.1	D994 V1002	D994-L998 PolarHBondContact O-N 3.14Å; L998-V1002 VanDerWaalsContact O-CB 3.25Å; L998-V1002 WeakPolarHBondContact O-CB 3.23Å; L998-V1002 WeakPolarHBondContact O-CG2 3.48Å; L998-V1002 PolarHBondContact O-N 3.1Å
999	R	36	Very low	34.5	Very low	167 Å²	167	102.2 Å²	102.2	63%	0.63	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-35.3	172.8	-72.1	175.8	-168.3	-170.3	6.9	112.3	E995 T996 K1003	E995-R999 VanDerWaalsContact O-CG 3.31Å; E995-R999 WeakPolarHBondContact O-CG 3.16Å; E995-R999 PolarHBondContact O-N 3.12Å; E995-R999 VanDerWaalsContact O-N 3.15Å; E995-R999 IonicContact OE1-CZ 2.74Å; E995-R999 IonicContact OE1-NE 3.58Å; E995-R999 PolarHBondContact OE1-NE 3.03Å; E995-R999 IonicContact OE1-NH2 3.04Å; E995-R999 PolarHBondContact OE1-NH2 3.36Å; T996-R999 PolarHBondContact O-N 3.38Å; R999-K1003 WeakPolarHBondContact O-CB 3.39Å; R999-K1003 PolarHBondContact O-N 2.97Å
1000	S	41.7	Very low	35.2	Very low	70 Å²	70	97.8 Å²	97.8	49%	0.49	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-49.5	174.4	-178.4	0	0	0	0	111.7	T996 D997 K1003 C1004	T996-S1000 WeakPolarHBondContact O-CB 3.44Å; T996-S1000 PolarHBondContact O-N 3.07Å; D997-S1000 WeakPolarHBondContact O-CB 3.33Å; D997-S1000 PolarHBondContact O-N 3.36Å; S1000-K1003 PolarHBondContact O-N 3.38Å; S1000-C1004 VanDerWaalsContact O-CB 3.23Å; S1000-C1004 WeakPolarHBondContact O-CB 3.24Å; S1000-C1004 PolarHBondContact O-N 3.04Å
1001	I	38.1	Very low	35.7	Very low	92 Å²	92	99.7 Å²	99.7	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-67.9	-43.4	179.1	-66.2	164.5	0	0	0	110.7	D997 C1004 C1005	D997-I1001 WeakPolarHBondContact O-CB 3.49Å; D997-I1001 VanDerWaalsContact O-CG1 3.29Å; D997-I1001 WeakPolarHBondContact O-CG1 3.49Å; D997-I1001 PolarHBondContact O-N 2.98Å; I1001-C1004 PolarHBondContact O-N 3.41Å; I1001-C1005 WeakPolarHBondContact O-CB 3.37Å; I1001-C1005 PolarHBondContact O-N 3.09Å; I1001-C1005 PolarHBondContact O-SG 2.84Å
1002	V	37.1	Very low	36.1	Very low	84 Å²	84	98.9 Å²	98.9	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-42.2	176	170.9	0	0	0	0	111	L998 C1005 V1006	L998-V1002 VanDerWaalsContact O-CB 3.25Å; L998-V1002 WeakPolarHBondContact O-CB 3.23Å; L998-V1002 WeakPolarHBondContact O-CG2 3.48Å; L998-V1002 PolarHBondContact O-N 3.1Å; V1002-C1005 PolarHBondContact O-N 3.12Å; V1002-V1006 HydrophobicContact CG1-CG2 4.17Å; V1002-V1006 VanDerWaalsContact O-CB 3.24Å; V1002-V1006 WeakPolarHBondContact O-CB 3.45Å; V1002-V1006 WeakPolarHBondContact O-CG2 3.31Å; V1002-V1006 PolarHBondContact O-N 3.17Å
1003	K	43.5	Very low	36.5	Very low	112 Å²	112	90.9 Å²	90.9	49%	0.487	48%	0.483	S	S	.	.	H	α-helix	trans	-59.6	-48.7	172.6	179.8	-179.7	176.4	-170	0	110.5	R999 S1000 C1005 V1006 D1007	R999-K1003 WeakPolarHBondContact O-CB 3.39Å; R999-K1003 PolarHBondContact O-N 2.97Å; S1000-K1003 PolarHBondContact O-N 3.38Å; K1003-C1005 PolarHBondContact O-N 3.44Å; K1003-V1006 PolarHBondContact O-N 3.29Å; K1003-D1007 WeakPolarHBondContact CE-OD2 3.37Å; K1003-D1007 VanDerWaalsContact CG-OD2 3.3Å; K1003-D1007 WeakPolarHBondContact CG-OD2 3.12Å; K1003-D1007 VanDerWaalsContact O-CB 3.3Å; K1003-D1007 WeakPolarHBondContact O-CB 3.47Å; K1003-D1007 PolarHBondContact O-N 3.27Å
1004	C	42.5	Very low	36.9	Very low	75 Å²	75	89 Å²	89	51%	0.507	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-42.2	178.8	-168.4	0	0	0	0	112.3	S1000 I1001 T1008	S1000-C1004 VanDerWaalsContact O-CB 3.23Å; S1000-C1004 WeakPolarHBondContact O-CB 3.24Å; S1000-C1004 PolarHBondContact O-N 3.04Å; I1001-C1004 PolarHBondContact O-N 3.41Å; C1004-T1008 WeakPolarHBondContact O-CB 3.25Å; C1004-T1008 PolarHBondContact O-N 2.94Å; C1004-T1008 PolarHBondContact O-OG1 2.8Å
1005	C	37.1	Very low	36.9	Very low	69 Å²	69	86.5 Å²	86.5	47%	0.466	47%	0.473	S	S	.	.	H	α-helix	trans	-68	-36.7	174.7	-70.8	0	0	0	0	112.7	I1001 V1002 K1003 L1009	I1001-C1005 WeakPolarHBondContact O-CB 3.37Å; I1001-C1005 PolarHBondContact O-N 3.09Å; I1001-C1005 PolarHBondContact O-SG 2.84Å; V1002-C1005 PolarHBondContact O-N 3.12Å; K1003-C1005 PolarHBondContact O-N 3.44Å; C1005-L1009 VanDerWaalsContact O-CB 3.26Å; C1005-L1009 WeakPolarHBondContact O-CB 3.32Å; C1005-L1009 WeakPolarHBondContact O-CD1 3.17Å; C1005-L1009 WeakPolarHBondContact O-CG 3.21Å; C1005-L1009 PolarHBondContact O-N 2.75Å
1006	V	40.3	Very low	37.1	Very low	66 Å²	66	87.1 Å²	87.1	40%	0.4	48%	0.48	S	S	.	.	H	α-helix	trans	-71.5	-43.6	176.3	166.5	0	0	0	0	111	V1002 K1003 L1009 I1010	V1002-V1006 HydrophobicContact CG1-CG2 4.17Å; V1002-V1006 VanDerWaalsContact O-CB 3.24Å; V1002-V1006 WeakPolarHBondContact O-CB 3.45Å; V1002-V1006 WeakPolarHBondContact O-CG2 3.31Å; V1002-V1006 PolarHBondContact O-N 3.17Å; K1003-V1006 PolarHBondContact O-N 3.29Å; V1006-L1009 CarbonylContact O-C 3.55Å; V1006-L1009 PolarHBondContact O-N 3.32Å; V1006-I1010 HydrophobicContact CG1-CD1 3.65Å; V1006-I1010 HydrophobicContact CG1-CG1 4.36Å; V1006-I1010 WeakPolarHBondContact O-CB 3.48Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; V1006-I1010 PolarHBondContact O-N 2.88Å
1007	D	43.4	Very low	37	Very low	71 Å²	71	88.9 Å²	88.9	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-44.5	174	-67.6	-17	0	0	0	109.6	K1003 L1009 I1010 E1011	K1003-D1007 WeakPolarHBondContact CE-OD2 3.37Å; K1003-D1007 VanDerWaalsContact CG-OD2 3.3Å; K1003-D1007 WeakPolarHBondContact CG-OD2 3.12Å; K1003-D1007 VanDerWaalsContact O-CB 3.3Å; K1003-D1007 WeakPolarHBondContact O-CB 3.47Å; K1003-D1007 PolarHBondContact O-N 3.27Å; D1007-L1009 PolarHBondContact O-N 3.31Å; D1007-I1010 PolarHBondContact O-N 3.19Å; D1007-E1011 WeakPolarHBondContact O-CB 3.28Å; D1007-E1011 WeakPolarHBondContact O-CG 3.44Å; D1007-E1011 PolarHBondContact O-N 2.9Å
1008	T	37.2	Very low	36.9	Very low	66 Å²	66	92.7 Å²	92.7	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-37.9	173.4	-56.6	0	0	0	0	112.2	C1004 N1012	C1004-T1008 WeakPolarHBondContact O-CB 3.25Å; C1004-T1008 PolarHBondContact O-N 2.94Å; C1004-T1008 PolarHBondContact O-OG1 2.8Å; T1008-N1012 WeakPolarHBondContact O-CB 3.03Å; T1008-N1012 PolarHBondContact O-N 3.05Å; T1008-N1012 PolarHBondContact O-ND2 3.1Å
1009	L	35.6	Very low	36.8	Very low	77 Å²	77	97.5 Å²	97.5	40%	0.403	53%	0.532	S	S	.	.	H	α-helix	trans	-69.2	-41.1	175.2	-89.2	159	0	0	0	111.4	M804 C1005 V1006 D1007 N1012 V1013	M804-L1009 HydrophobicContact SD-CD2 4.32Å; C1005-L1009 VanDerWaalsContact O-CB 3.26Å; C1005-L1009 WeakPolarHBondContact O-CB 3.32Å; C1005-L1009 WeakPolarHBondContact O-CD1 3.17Å; C1005-L1009 WeakPolarHBondContact O-CG 3.21Å; C1005-L1009 PolarHBondContact O-N 2.75Å; V1006-L1009 CarbonylContact O-C 3.55Å; V1006-L1009 PolarHBondContact O-N 3.32Å; D1007-L1009 PolarHBondContact O-N 3.31Å; L1009-N1012 PolarHBondContact O-N 3.18Å; L1009-V1013 HydrophobicContact CD2-CG2 4.37Å; L1009-V1013 WeakPolarHBondContact O-CB 3.39Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.24Å; L1009-V1013 PolarHBondContact O-N 2.89Å
1010	I	39.6	Very low	36.4	Very low	92 Å²	92	98.1 Å²	98.1	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-46.8	175.6	-71.1	166.1	0	0	0	109.9	V1006 D1007 N1012 V1013 S1014	V1006-I1010 HydrophobicContact CG1-CD1 3.65Å; V1006-I1010 HydrophobicContact CG1-CG1 4.36Å; V1006-I1010 WeakPolarHBondContact O-CB 3.48Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; V1006-I1010 PolarHBondContact O-N 2.88Å; D1007-I1010 PolarHBondContact O-N 3.19Å; I1010-N1012 VanDerWaalsContact C-N 3.28Å; I1010-N1012 PolarHBondContact O-N 3.02Å; I1010-V1013 PolarHBondContact O-N 3.38Å; I1010-S1014 WeakPolarHBondContact O-CB 3.38Å; I1010-S1014 PolarHBondContact O-N 2.83Å; I1010-S1014 PolarHBondContact O-OG 3.3Å; I1010-S1014 VanDerWaalsContact O-OG 3.09Å
1011	E	39.5	Very low	35.8	Very low	150 Å²	150	103.8 Å²	103.8	70%	0.701	56%	0.556	S	S	*	*	H	α-helix	trans	-60.7	-33.1	175.5	-75.2	-175.5	162.7	0	0	113.4	D1007	D1007-E1011 WeakPolarHBondContact O-CB 3.28Å; D1007-E1011 WeakPolarHBondContact O-CG 3.44Å; D1007-E1011 PolarHBondContact O-N 2.9Å
1012	N	34.1	Very low	35.5	Very low	89 Å²	89	104.7 Å²	104.7	48%	0.476	58%	0.577	S	S	.	*	H	α-helix	trans	-92.7	-21.5	-179.3	-74.6	-71.5	0	0	0	114.5	T1008 L1009 I1010	T1008-N1012 WeakPolarHBondContact O-CB 3.03Å; T1008-N1012 PolarHBondContact O-N 3.05Å; T1008-N1012 PolarHBondContact O-ND2 3.1Å; L1009-N1012 PolarHBondContact O-N 3.18Å; I1010-N1012 VanDerWaalsContact C-N 3.28Å; I1010-N1012 PolarHBondContact O-N 3.02Å
1013	V	33.5	Very low	35	Very low	44 Å²	44	106.2 Å²	106.2	27%	0.267	59%	0.592	S	S	.	*	H	α-helix	trans	-92.5	-37.4	178.2	175.2	0	0	0	0	111.5	R801 M804 L808 L1009 I1010 A1015	R801-V1013 PolarHBondContact NH2-O 3.41Å; M804-V1013 HydrophobicContact CE-CG2 4.43Å; L808-V1013 HydrophobicContact CD1-CG1 4.15Å; L808-V1013 HydrophobicContact CD1-CG2 4.17Å; L1009-V1013 HydrophobicContact CD2-CG2 4.37Å; L1009-V1013 WeakPolarHBondContact O-CB 3.39Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.24Å; L1009-V1013 PolarHBondContact O-N 2.89Å; I1010-V1013 PolarHBondContact O-N 3.38Å; V1013-A1015 PolarHBondContact O-N 2.87Å; V1013-A1015 VanDerWaalsContact O-N 3.16Å
1014	S	35	Very low	34.3	Very low	86 Å²	86	106.6 Å²	106.6	60%	0.601	60%	0.603	S	S	*	*			trans	-79.4	13.8	-175.9	-58.2	0	0	0	0	115.8	I1010 D1016	I1010-S1014 WeakPolarHBondContact O-CB 3.38Å; I1010-S1014 PolarHBondContact O-N 2.83Å; I1010-S1014 PolarHBondContact O-OG 3.3Å; I1010-S1014 VanDerWaalsContact O-OG 3.09Å; S1014-D1016 VanDerWaalsContact C-N 3.34Å; S1014-D1016 PolarHBondContact O-N 3.32Å
1015	A	31.2	Very low	33.5	Very low	40 Å²	40	110.2 Å²	110.2	33%	0.331	61%	0.614	S	S	.	*			trans	-73.6	80.3	-179.2	0	0	0	0	0	113.2	R801 V1013	R801-A1015 VanDerWaalsContact CZ-O 3.3Å; R801-A1015 PolarHBondContact NH1-O 3.4Å; R801-A1015 PolarHBondContact NH2-O 3.48Å; V1013-A1015 PolarHBondContact O-N 2.87Å; V1013-A1015 VanDerWaalsContact O-N 3.16Å
1016	D	31.8	Very low	32.9	Very low	136 Å²	136	113 Å²	113	73%	0.727	64%	0.635	S	S	*	*			trans	-58.1	150.1	154.4	-126.4	-23.5	0	0	0	109.3	S1014 L1018	S1014-D1016 VanDerWaalsContact C-N 3.34Å; S1014-D1016 PolarHBondContact O-N 3.32Å; D1016-L1018 PolarHBondContact O-N 2.96Å
1017	P	31.1	Very low	32.3	Very low	122 Å²	122	115.4 Å²	115.4	79%	0.792	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-1.5	-165.1	-25.1	35.1	0	0	0	118.1
1018	L	33.1	Very low	31.4	Very low	157 Å²	157	115.2 Å²	115.2	82%	0.822	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-4	-165.2	-80.6	164.5	0	0	0	116.1	D1016	D1016-L1018 PolarHBondContact O-N 2.96Å
1019	H	32.1	Very low	30.8	Very low	182 Å²	182	117.5 Å²	117.5	84%	0.843	68%	0.681	S	S	*	*	S	Bend	trans	-124.4	60.4	-178.6	-96.6	-73	0	0	0	114.2
1020	K	27.5	Very low	30.3	Very low	180 Å²	180	120.4 Å²	120.4	78%	0.783	70%	0.702	S	S	*	*			trans	-154.4	52.8	168.3	-122	166.7	-167.9	170	0	116
1021	F	28.8	Very low	29.8	Very low	189 Å²	189	125 Å²	125	83%	0.829	72%	0.722	S	S	*	*			trans	-121	4.9	170.6	-94.3	-77.6	0	0	0	115.6	S1023	F1021-S1023 VanDerWaalsContact C-N 3.34Å; F1021-S1023 PolarHBondContact O-N 3.37Å
1022	A	31.1	Very low	29.3	Very low	111 Å²	111	123.6 Å²	123.6	92%	0.917	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	11.6	-173.5	0	0	0	0	0	116.3
1023	S	26.8	Very low	29.2	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	1.6	-174.2	-160.3	0	0	0	0	115.5	F1021	F1021-S1023 VanDerWaalsContact C-N 3.34Å; F1021-S1023 PolarHBondContact O-N 3.37Å
1024	V	27.8	Very low	29.4	Very low	120 Å²	120	128.4 Å²	128.4	73%	0.727	75%	0.747	S	S	*	*			trans	-139.1	89.5	177.8	-175	0	0	0	0	109.9
1025	M	27.2	Very low	29.8	Very low	151 Å²	151	130.9 Å²	130.9	74%	0.744	75%	0.753	S	S	*	*			trans	-166.9	63	148.6	-86.4	-111.8	81.6	0	0	108.5	V1027	M1025-V1027 VanDerWaalsContact C-N 3.3Å; M1025-V1027 HydrophobicContact CE-CB 3.84Å; M1025-V1027 HydrophobicContact CE-CG2 3.93Å
1026	S	24.8	Very low	30.8	Very low	128 Å²	128	132.5 Å²	132.5	90%	0.895	75%	0.751	S	S	*	*			trans	-93.5	69.3	156.3	174.5	0	0	0	0	107.9
1027	V	26.6	Very low	32.2	Very low	116 Å²	116	135.5 Å²	135.5	70%	0.703	75%	0.753	S	S	*	*			trans	-129.4	131.6	168.4	-175	0	0	0	0	106.1	M1025 C1029	M1025-V1027 VanDerWaalsContact C-N 3.3Å; M1025-V1027 HydrophobicContact CE-CB 3.84Å; M1025-V1027 HydrophobicContact CE-CG2 3.93Å; V1027-C1029 PolarHBondContact O-N 3.21Å
1028	G	24.3	Very low	34.5	Very low	66 Å²	66	133.1 Å²	133.1	68%	0.68	73%	0.732	S	S	*	*			trans	-73.9	123.8	-155.7	0	0	0	0	0	114.6
1029	C	24.5	Very low	36.7	Very low	114 Å²	114	126.6 Å²	126.6	77%	0.77	70%	0.7	S	S	*	*			trans	-110.2	138.9	137	-165.3	0	0	0	0	106.6	V1027 Q1031	V1027-C1029 PolarHBondContact O-N 3.21Å; C1029-Q1031 VanDerWaalsContact C-N 3.33Å; C1029-Q1031 PolarHBondContact O-N 3.15Å
1030	T	25.2	Very low	39.1	Very low	139 Å²	139	119.9 Å²	119.9	85%	0.853	67%	0.672	S	S	*	*			trans	-73.3	76.2	-164.5	44.2	0	0	0	0	113.8	T1032	T1030-T1032 PolarHBondContact O-N 3.3Å
1031	Q	29.2	Very low	41.4	Very low	188 Å²	188	115.6 Å²	115.6	88%	0.879	66%	0.661	S	S	*	*			trans	-80.3	95	169.8	-162.3	161.6	10.4	0	0	109.2	C1029 D1033	C1029-Q1031 VanDerWaalsContact C-N 3.33Å; C1029-Q1031 PolarHBondContact O-N 3.15Å; Q1031-D1033 PolarHBondContact O-N 3.18Å
1032	T	29.6	Very low	43.8	Very low	121 Å²	121	109.9 Å²	109.9	74%	0.742	64%	0.641	S	S	*	*			trans	-58.1	125.4	177.2	49	0	0	0	0	110.6	T1030 I1034	T1030-T1032 PolarHBondContact O-N 3.3Å; T1032-I1034 PolarHBondContact O-N 3.2Å
1033	D	32.9	Very low	46.4	Very low	145 Å²	145	104.6 Å²	104.6	78%	0.775	60%	0.598	S	S	*	*	S	Bend	trans	-76.9	47	-165.2	-158	16.8	0	0	0	113.9	Q1031	Q1031-D1033 PolarHBondContact O-N 3.18Å
1034	I	37.3	Very low	49.3	Very low	89 Å²	89	103 Å²	103	46%	0.456	58%	0.577	S	S	.	*	S	Bend	trans	-144.8	124.2	177.3	-38.9	170.7	0	0	0	110.6	T1032 Y1036	T1032-I1034 PolarHBondContact O-N 3.2Å; I1034-Y1036 HydrophobicContact CB-CD2 3.87Å; I1034-Y1036 HydrophobicContact CB-CE2 3.66Å; I1034-Y1036 HydrophobicContact CB-CG 4.5Å; I1034-Y1036 HydrophobicContact CD1-CE2 3.65Å; I1034-Y1036 HydrophobicContact CG1-CE2 4.24Å; I1034-Y1036 HydrophobicContact CG2-CD1 4.08Å; I1034-Y1036 HydrophobicContact CG2-CD2 3.85Å; I1034-Y1036 HydrophobicContact CG2-CE1 3.66Å; I1034-Y1036 HydrophobicContact CG2-CE2 3.44Å; I1034-Y1036 VanDerWaalsContact CG2-CE2 3.44Å; I1034-Y1036 HydrophobicContact CG2-CG 4.15Å; I1034-Y1036 PolarHBondContact O-N 3.24Å
1035	D	42.3	Very low	52.3	Low	137 Å²	137	100.7 Å²	100.7	73%	0.733	57%	0.565	S	S	*	*			trans	-77.1	50.2	-171.6	-157.5	10.7	0	0	0	113.3	R1037	D1035-R1037 PolarHBondContact O-N 2.94Å
1036	Y	52.5	Low	55	Low	74 Å²	74	95.4 Å²	95.4	29%	0.29	55%	0.549	S	S	.	.			trans	-76.8	82.2	176.7	-63.7	-45.7	0	0	0	111.1	I1034 I1038 V1048 I1128 D1129	I1034-Y1036 HydrophobicContact CB-CD2 3.87Å; I1034-Y1036 HydrophobicContact CB-CE2 3.66Å; I1034-Y1036 HydrophobicContact CB-CG 4.5Å; I1034-Y1036 HydrophobicContact CD1-CE2 3.65Å; I1034-Y1036 HydrophobicContact CG1-CE2 4.24Å; I1034-Y1036 HydrophobicContact CG2-CD1 4.08Å; I1034-Y1036 HydrophobicContact CG2-CD2 3.85Å; I1034-Y1036 HydrophobicContact CG2-CE1 3.66Å; I1034-Y1036 HydrophobicContact CG2-CE2 3.44Å; I1034-Y1036 VanDerWaalsContact CG2-CE2 3.44Å; I1034-Y1036 HydrophobicContact CG2-CG 4.15Å; I1034-Y1036 PolarHBondContact O-N 3.24Å; Y1036-I1038 PolarHBondContact O-N 3.4Å; Y1036-V1048 HydrophobicContact CD1-CG2 4.16Å; Y1036-I1128 HydrophobicContact CD1-CG2 4.43Å; Y1036-I1128 HydrophobicContact CE1-CG2 3.47Å; Y1036-I1128 VanDerWaalsContact CE1-CG2 3.47Å; Y1036-I1128 HydrophobicContact CE2-CG2 4.36Å; Y1036-I1128 VanDerWaalsContact CZ-CG2 3.42Å; Y1036-I1128 WeakPolarHBondContact OH-CG2 3.33Å; Y1036-D1129 PolarHBondContact OH-O 2.81Å
1037	R	61.7	Low	58	Low	200 Å²	200	91.6 Å²	91.6	76%	0.755	52%	0.517	S	S	*	.			trans	-63.9	102.9	165.3	-64.6	-173.8	-175.2	-163.4	0.2	109.7	D1035 S1039	D1035-R1037 PolarHBondContact O-N 2.94Å; R1037-S1039 PolarHBondContact O-N 2.97Å
1038	I	78.9	Confident	60.9	Low	71 Å²	71	86.6 Å²	86.6	36%	0.364	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-75.4	116.8	177.7	-57.9	152.8	0	0	0	108.8	Y1036 V1040 V1048 L1050 F1094	Y1036-I1038 PolarHBondContact O-N 3.4Å; I1038-V1040 HydrophobicContact CG2-CG1 4.07Å; I1038-V1040 PolarHBondContact O-N 2.92Å; I1038-V1048 CarbonylContact C-O 3.58Å; I1038-V1048 WeakPolarHBondContact CA-O 3.45Å; I1038-V1048 HydrophobicContact CG1-CG1 4.36Å; I1038-L1050 HydrophobicContact CG2-CB 4.11Å; I1038-F1094 HydrophobicContact CD1-CD1 4.31Å; I1038-F1094 HydrophobicContact CD1-CE1 3.45Å; I1038-F1094 VanDerWaalsContact CD1-CE1 3.45Å; I1038-F1094 HydrophobicContact CD1-CZ 3.96Å; I1038-F1094 HydrophobicContact CG1-CD1 4.29Å; I1038-F1094 HydrophobicContact CG1-CE1 3.91Å
1039	S	79.8	Confident	64	Low	21 Å²	21	83.4 Å²	83.4	15%	0.147	45%	0.454	C	S	.	.			trans	-80.8	119.3	177	-68.2	0	0	0	0	110.5	R1037 T1042 I1043 E1047 V1048	R1037-S1039 PolarHBondContact O-N 2.97Å; S1039-T1042 WeakPolarHBondContact CB-O 3.35Å; S1039-I1043 WeakPolarHBondContact O-CD1 3.46Å; S1039-E1047 VanDerWaalsContact CB-CD 3.49Å; S1039-E1047 WeakPolarHBondContact CB-OE2 3.4Å; S1039-E1047 PolarHBondContact OG-OE1 3.21Å; S1039-E1047 PolarHBondContact OG-OE2 3.12Å; S1039-V1048 PolarHBondContact N-O 2.79Å
1040	V	82.1	Confident	67.1	Low	41 Å²	41	79.9 Å²	79.9	25%	0.248	43%	0.427	C	S	.	.	S	Bend	trans	-121.9	-5.2	179.6	-60.2	0	0	0	0	113.5	I1038 F1063 C1064 L1065	I1038-V1040 HydrophobicContact CG2-CG1 4.07Å; I1038-V1040 PolarHBondContact O-N 2.92Å; V1040-F1063 HydrophobicContact CG1-CD1 4.05Å; V1040-F1063 HydrophobicContact CG1-CE1 4.36Å; V1040-C1064 CarbonylContact O-C 3.59Å; V1040-C1064 VanDerWaalsContact O-CA 3.23Å; V1040-C1064 WeakPolarHBondContact O-CA 3.33Å; V1040-L1065 HydrophobicContact CG2-CD1 4.46Å; V1040-L1065 HydrophobicContact CG2-CG 4.36Å; V1040-L1065 PolarHBondContact O-N 3.3Å
1041	V	77.1	Confident	70.2	Confident	90 Å²	90	73.2 Å²	73.2	55%	0.545	39%	0.387	S	S	.	.	S	Bend	trans	-109	-69.4	-175.5	-172.7	0	0	0	0	110.2	L1065 P1066	V1041-L1065 HydrophobicContact CG2-CD1 4.16Å; V1041-P1066 VanDerWaalsContact O-CG 3.23Å; V1041-P1066 WeakPolarHBondContact O-CG 3.38Å
1042	T	79.2	Confident	73	Confident	69 Å²	69	65.7 Å²	65.7	42%	0.423	35%	0.352	S	S	.	.	S	Bend	trans	-84	146.7	161.9	47.3	0	0	0	0	108.6	S1039	S1039-T1042 WeakPolarHBondContact CB-O 3.35Å
1043	I	85.3	Confident	75.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.			trans	-130.7	99.1	174.3	-55.7	-64.9	0	0	0	106.4	S1039 E1047 V1049 I1062 C1064 Y1070 V1097 K1100	S1039-I1043 WeakPolarHBondContact O-CD1 3.46Å; I1043-E1047 WeakPolarHBondContact CA-OE2 3.38Å; I1043-V1049 HydrophobicContact CD1-CG1 3.88Å; I1043-V1049 HydrophobicContact CG2-CG1 4.24Å; I1043-I1062 HydrophobicContact CD1-CG2 3.8Å; I1043-I1062 HydrophobicContact CG1-CG2 4.42Å; I1043-I1062 HydrophobicContact CG2-CD1 3.98Å; I1043-C1064 HydrophobicContact CD1-CB 4.17Å; I1043-C1064 HydrophobicContact CG1-CB 4.1Å; I1043-Y1070 HydrophobicContact CB-CD1 4.02Å; I1043-Y1070 HydrophobicContact CB-CE1 3.59Å; I1043-Y1070 HydrophobicContact CB-CE2 4.41Å; I1043-Y1070 HydrophobicContact CG1-CD1 4.36Å; I1043-Y1070 HydrophobicContact CG1-CD2 4.31Å; I1043-Y1070 HydrophobicContact CG1-CE1 4.08Å; I1043-Y1070 HydrophobicContact CG1-CE2 4Å; I1043-Y1070 HydrophobicContact CG1-CG 4.48Å; I1043-Y1070 HydrophobicContact CG2-CD1 3.85Å; I1043-Y1070 HydrophobicContact CG2-CE1 3.89Å; I1043-Y1070 HydrophobicContact CG2-CG 4.49Å; I1043-V1097 HydrophobicContact CG2-CG2 4.02Å; I1043-K1100 VanDerWaalsContact O-CD 3.3Å; I1043-K1100 WeakPolarHBondContact O-CD 3.3Å; I1043-K1100 WeakPolarHBondContact O-CE 3.47Å; I1043-K1100 PolarHBondContact O-NZ 3.46Å
1044	E	88	Confident	78.3	Confident	83 Å²	83	58.4 Å²	58.4	39%	0.388	30%	0.303	S	S	.	.			trans	-119	154.9	-176.5	-63.2	-54.5	149.1	0	0	112.1	G1046 E1047 V1097 K1100	E1044-G1046 PolarHBondContact O-N 3.05Å; E1044-E1047 HydrophobicContact CB-CG 4.26Å; E1044-E1047 PolarHBondContact N-OE2 3.31Å; E1044-E1047 WeakPolarHBondContact O-CB 3.29Å; E1044-E1047 PolarHBondContact O-N 3.42Å; E1044-V1097 WeakPolarHBondContact O-CB 3.29Å; E1044-K1100 IonicContact OE1-NZ 2.81Å; E1044-K1100 PolarHBondContact OE1-NZ 2.94Å; E1044-K1100 WeakPolarHBondContact OE2-CE 3.48Å; E1044-K1100 IonicContact OE2-NZ 3.63Å; E1044-K1100 PolarHBondContact OE2-NZ 3.3Å
1045	P	89.4	Confident	80.4	Confident	72 Å²	72	58.7 Å²	58.7	47%	0.468	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	133.6	168.7	-25.7	36.3	0	0	0	112.7	V1097	P1045-V1097 CarbonylContact C-O 3.4Å; P1045-V1097 WeakPolarHBondContact CA-O 3.44Å
1046	G	84.2	Confident	82.3	Confident	40 Å²	40	57.4 Å²	57.4	41%	0.412	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-24.4	-176.9	0	0	0	0	0	114.3	E1044 R1096 V1097	E1044-G1046 PolarHBondContact O-N 3.05Å; G1046-R1096 WeakPolarHBondContact O-CG 3.47Å; G1046-R1096 PolarHBondContact O-NH1 3.38Å; G1046-V1097 PolarHBondContact N-O 3.11Å
1047	E	88.4	Confident	83.7	Confident	47 Å²	47	54.4 Å²	54.4	22%	0.22	30%	0.296	C	S	.	.			trans	-74.8	148.8	-176.8	-62.9	-173	129.4	0	0	113	S1039 I1043 E1044 R1096 V1097	S1039-E1047 VanDerWaalsContact CB-CD 3.49Å; S1039-E1047 WeakPolarHBondContact CB-OE2 3.4Å; S1039-E1047 PolarHBondContact OG-OE1 3.21Å; S1039-E1047 PolarHBondContact OG-OE2 3.12Å; I1043-E1047 WeakPolarHBondContact CA-OE2 3.38Å; E1044-E1047 HydrophobicContact CB-CG 4.26Å; E1044-E1047 PolarHBondContact N-OE2 3.31Å; E1044-E1047 WeakPolarHBondContact O-CB 3.29Å; E1044-E1047 PolarHBondContact O-N 3.42Å; E1047-R1096 CarbonylContact O-C 3.57Å; E1047-R1096 WeakPolarHBondContact O-CA 3.37Å; E1047-V1097 PolarHBondContact O-N 3.24Å
1048	V	87.1	Confident	84.8	Confident	11 Å²	11	46.7 Å²	46.7	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.7	171.5	169.2	0	0	0	0	109	Y1036 I1038 S1039 G1095 I1128	Y1036-V1048 HydrophobicContact CD1-CG2 4.16Å; I1038-V1048 CarbonylContact C-O 3.58Å; I1038-V1048 WeakPolarHBondContact CA-O 3.45Å; I1038-V1048 HydrophobicContact CG1-CG1 4.36Å; S1039-V1048 PolarHBondContact N-O 2.79Å; V1048-G1095 WeakPolarHBondContact CA-O 3.34Å; V1048-I1128 HydrophobicContact CB-CD1 4.27Å; V1048-I1128 HydrophobicContact CG1-CD1 3.6Å; V1048-I1128 HydrophobicContact CG2-CD1 3.78Å
1049	V	89.1	Confident	85.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.6	-174.2	-67.5	0	0	0	0	111.9	I1043 V1051 I1062 F1094 G1095 V1097 V1125	I1043-V1049 HydrophobicContact CD1-CG1 3.88Å; I1043-V1049 HydrophobicContact CG2-CG1 4.24Å; V1049-V1051 HydrophobicContact CG2-CG2 4.45Å; V1049-I1062 HydrophobicContact CB-CD1 4.33Å; V1049-I1062 HydrophobicContact CB-CG1 4.31Å; V1049-I1062 HydrophobicContact CB-CG2 3.74Å; V1049-I1062 HydrophobicContact CG1-CD1 4.41Å; V1049-I1062 HydrophobicContact CG1-CG2 4.01Å; V1049-I1062 HydrophobicContact CG2-CD1 3.82Å; V1049-I1062 HydrophobicContact CG2-CG1 3.92Å; V1049-I1062 HydrophobicContact CG2-CG2 4.3Å; V1049-F1094 WeakPolarHBondContact O-CA 3.48Å; V1049-G1095 VanDerWaalsContact CG2-O 3.29Å; V1049-G1095 WeakPolarHBondContact CG2-O 3.34Å; V1049-G1095 PolarHBondContact N-O 3.03Å; V1049-G1095 PolarHBondContact O-N 3.29Å; V1049-G1095 VanDerWaalsContact O-N 3.1Å; V1049-V1097 HydrophobicContact CB-CG2 4.28Å; V1049-V1097 HydrophobicContact CG1-CG2 3.57Å; V1049-V1097 HydrophobicContact CG2-CG2 3.65Å; V1049-V1125 HydrophobicContact CG2-CG1 4.37Å; V1049-V1125 HydrophobicContact CG2-CG2 4.48Å
1050	L	89.5	Confident	85.7	Confident	39 Å²	39	42.4 Å²	42.4	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116	169.9	179.9	66.8	0	0	0	109.4	I1038 I1052 I1062 F1063 W1092 F1094	I1038-L1050 HydrophobicContact CG2-CB 4.11Å; L1050-I1052 HydrophobicContact CD2-CG2 4.11Å; L1050-I1052 HydrophobicContact CG-CG2 3.92Å; L1050-I1062 WeakPolarHBondContact O-CA 3.04Å; L1050-F1063 HydrophobicContact CB-CB 4.33Å; L1050-F1063 HydrophobicContact CD2-CB 4.15Å; L1050-F1063 HydrophobicContact CD2-CD1 4.35Å; L1050-F1063 HydrophobicContact CD2-CG 4.38Å; L1050-F1063 HydrophobicContact CG-CB 4.35Å; L1050-F1063 PolarHBondContact O-N 3.1Å; L1050-W1092 HydrophobicContact CD1-CB 4.14Å; L1050-W1092 HydrophobicContact CD1-CD2 4.23Å; L1050-W1092 HydrophobicContact CD1-CE3 3.66Å; L1050-W1092 HydrophobicContact CD1-CG 4.46Å; L1050-W1092 HydrophobicContact CD1-CZ3 4.48Å; L1050-F1094 HydrophobicContact CB-CE1 4.36Å; L1050-F1094 HydrophobicContact CD1-CD1 4.13Å; L1050-F1094 HydrophobicContact CD1-CE1 3.74Å; L1050-F1094 HydrophobicContact CD1-CZ 4.36Å
1051	V	90.4	Very high	86.1	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.3	173.8	177.9	0	0	0	0	108.2	V1049 F1060 V1061 L1072 L1080 L1082 W1092 T1093 V1125	V1049-V1051 HydrophobicContact CG2-CG2 4.45Å; V1051-F1060 HydrophobicContact CG1-CB 3.87Å; V1051-F1060 HydrophobicContact CG1-CD1 4.08Å; V1051-F1060 HydrophobicContact CG1-CG 4.34Å; V1051-V1061 CarbonylContact C-O 3.58Å; V1051-V1061 WeakPolarHBondContact CA-O 3.23Å; V1051-L1072 HydrophobicContact CB-CD2 4.48Å; V1051-L1072 HydrophobicContact CG1-CD1 3.99Å; V1051-L1072 HydrophobicContact CG1-CD2 3.55Å; V1051-L1072 HydrophobicContact CG1-CG 4.44Å; V1051-L1072 HydrophobicContact CG2-CD1 4.32Å; V1051-L1072 HydrophobicContact CG2-CD2 4.04Å; V1051-L1080 HydrophobicContact CG1-CD1 4.48Å; V1051-L1080 HydrophobicContact CG2-CD1 4.14Å; V1051-L1082 HydrophobicContact CG1-CD1 3.94Å; V1051-W1092 CarbonylContact O-C 3.59Å; V1051-W1092 WeakPolarHBondContact O-CA 3.46Å; V1051-W1092 VanDerWaalsContact O-CB 3.32Å; V1051-W1092 WeakPolarHBondContact O-CB 3.45Å; V1051-T1093 HydrophobicContact CB-CG2 4Å; V1051-T1093 HydrophobicContact CG1-CG2 4.39Å; V1051-T1093 PolarHBondContact N-O 2.91Å; V1051-T1093 PolarHBondContact O-N 2.99Å; V1051-V1125 HydrophobicContact CG2-CG1 4.26Å
1052	I	89.1	Confident	86.8	Confident	30 Å²	30	37 Å²	37	15%	0.154	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.8	179.1	64.4	171.1	0	0	0	111	L1050 F1060 V1061 F1063 W1092	L1050-I1052 HydrophobicContact CD2-CG2 4.11Å; L1050-I1052 HydrophobicContact CG-CG2 3.92Å; I1052-F1060 CarbonylContact O-C 3.58Å; I1052-F1060 VanDerWaalsContact O-CA 3.31Å; I1052-F1060 WeakPolarHBondContact O-CA 3.22Å; I1052-V1061 HydrophobicContact CD1-CG2 4.39Å; I1052-V1061 HydrophobicContact CG1-CG2 3.79Å; I1052-V1061 PolarHBondContact N-O 3.05Å; I1052-V1061 PolarHBondContact O-N 3.12Å; I1052-V1061 VanDerWaalsContact O-O 3.13Å; I1052-F1063 HydrophobicContact CD1-CB 4.05Å; I1052-F1063 HydrophobicContact CD1-CD2 3.96Å; I1052-F1063 HydrophobicContact CD1-CG 4.49Å; I1052-F1063 HydrophobicContact CG1-CB 4.3Å; I1052-F1063 HydrophobicContact CG2-CB 4.23Å; I1052-W1092 HydrophobicContact CG2-CB 3.94Å
1053	Y	88.1	Confident	87.3	Confident	58 Å²	58	37 Å²	37	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.9	170.1	-169.5	-104.3	0	0	0	111.1	P1055 A1058 F1060 A1087 K1091	Y1053-P1055 WeakPolarHBondContact O-CD 3.43Å; Y1053-A1058 WeakPolarHBondContact OH-CA 3.34Å; Y1053-F1060 HydrophobicContact CD2-CD1 4.2Å; Y1053-F1060 HydrophobicContact CD2-CD2 4.03Å; Y1053-F1060 HydrophobicContact CD2-CE1 4.03Å; Y1053-F1060 AromaticContact CD2-CE2 3.83Å; Y1053-F1060 HydrophobicContact CD2-CE2 3.83Å; Y1053-F1060 HydrophobicContact CD2-CG 4.21Å; Y1053-F1060 AromaticContact CD2-CZ 3.84Å; Y1053-F1060 HydrophobicContact CD2-CZ 3.84Å; Y1053-F1060 HydrophobicContact CE2-CE2 4.42Å; Y1053-F1060 HydrophobicContact CG-CE1 4.36Å; Y1053-F1060 HydrophobicContact CG-CZ 4.46Å; Y1053-A1087 HydrophobicContact CD1-CB 3.93Å; Y1053-A1087 HydrophobicContact CD2-CB 3.96Å; Y1053-A1087 HydrophobicContact CE1-CB 3.87Å; Y1053-A1087 HydrophobicContact CE2-CB 3.92Å; Y1053-A1087 HydrophobicContact CG-CB 3.96Å; Y1053-K1091 PolarHBondContact N-O 3.33Å
1054	E	85.6	Confident	87.3	Confident	54 Å²	54	38 Å²	38	25%	0.252	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.6	176.1	176	46.1	-119.4	0	0	110.3	T1056 M1057 A1058 T1059 V1061	E1054-T1056 VanDerWaalsContact C-N 3.31Å; E1054-T1056 WeakPolarHBondContact CG-OG1 3.41Å; E1054-T1056 PolarHBondContact O-N 3.46Å; E1054-T1056 WeakPolarHBondContact OE1-CB 3.48Å; E1054-T1056 WeakPolarHBondContact OE1-CG2 3.38Å; E1054-T1056 PolarHBondContact OE1-N 2.74Å; E1054-T1056 PolarHBondContact OE1-OG1 2.75Å; E1054-M1057 HydrophobicContact CB-CB 4.44Å; E1054-M1057 HydrophobicContact CG-CB 4.04Å; E1054-M1057 HydrophobicContact CG-CG 3.82Å; E1054-M1057 HydrophobicContact CG-SD 4.18Å; E1054-M1057 PolarHBondContact O-N 3.07Å; E1054-A1058 PolarHBondContact O-N 3.08Å; E1054-T1059 PolarHBondContact N-O 3.37Å; E1054-V1061 HydrophobicContact CB-CB 4.47Å; E1054-V1061 HydrophobicContact CB-CG1 3.88Å; E1054-V1061 HydrophobicContact CB-CG2 3.72Å
1055	P	81.6	Confident	86.8	Confident	96 Å²	96	39.8 Å²	39.8	62%	0.623	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-61	-36.1	-175.3	-24.5	34.8	0	0	0	113.7	Y1053 M1057 A1058	Y1053-P1055 WeakPolarHBondContact O-CD 3.43Å; P1055-M1057 VanDerWaalsContact C-N 3.28Å; P1055-M1057 PolarHBondContact O-N 2.76Å; P1055-A1058 PolarHBondContact O-N 3.16Å
1056	T	80.6	Confident	86.1	Confident	109 Å²	109	38.8 Å²	38.8	67%	0.669	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-67.4	-30.4	-177.6	60.7	0	0	0	0	112.7	E1054	E1054-T1056 VanDerWaalsContact C-N 3.31Å; E1054-T1056 WeakPolarHBondContact CG-OG1 3.41Å; E1054-T1056 PolarHBondContact O-N 3.46Å; E1054-T1056 WeakPolarHBondContact OE1-CB 3.48Å; E1054-T1056 WeakPolarHBondContact OE1-CG2 3.38Å; E1054-T1056 PolarHBondContact OE1-N 2.74Å; E1054-T1056 PolarHBondContact OE1-OG1 2.75Å
1057	M	82.8	Confident	85.7	Confident	11 Å²	11	47.3 Å²	47.3	5%	0.054	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-98.3	-5.3	179.9	-58.7	-175	63.6	0	0	113.2	E1054 P1055 T1059 V1061 V1071 L1114	E1054-M1057 HydrophobicContact CB-CB 4.44Å; E1054-M1057 HydrophobicContact CG-CB 4.04Å; E1054-M1057 HydrophobicContact CG-CG 3.82Å; E1054-M1057 HydrophobicContact CG-SD 4.18Å; E1054-M1057 PolarHBondContact O-N 3.07Å; P1055-M1057 VanDerWaalsContact C-N 3.28Å; P1055-M1057 PolarHBondContact O-N 2.76Å; M1057-T1059 HydrophobicContact CB-CG2 3.84Å; M1057-T1059 PolarHBondContact O-N 3.26Å; M1057-V1061 HydrophobicContact SD-CG1 4.1Å; M1057-V1071 HydrophobicContact CE-CG1 4.4Å; M1057-V1071 HydrophobicContact CE-CG2 3.36Å; M1057-V1071 HydrophobicContact SD-CG2 4.41Å; M1057-L1114 HydrophobicContact CE-CD1 3.77Å; M1057-L1114 HydrophobicContact CE-CD2 3.72Å; M1057-L1114 HydrophobicContact CE-CG 3.67Å; M1057-L1114 HydrophobicContact SD-CD2 4.13Å
1058	A	84.1	Confident	85.4	Confident	39 Å²	39	47.6 Å²	47.6	32%	0.322	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	39.5	-174.5	0	0	0	0	0	113.7	Y1053 E1054 P1055 R1084	Y1053-A1058 WeakPolarHBondContact OH-CA 3.34Å; E1054-A1058 PolarHBondContact O-N 3.08Å; P1055-A1058 PolarHBondContact O-N 3.16Å; A1058-R1084 VanDerWaalsContact O-CD 3.23Å; A1058-R1084 WeakPolarHBondContact O-CD 3.48Å; A1058-R1084 PolarHBondContact O-NE 3.42Å; A1058-R1084 VanDerWaalsContact O-NE 3.1Å
1059	T	88.2	Confident	85.3	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	162.2	-175.3	-165.2	0	0	0	0	111.6	E1054 M1057 V1061 V1071 R1084	E1054-T1059 PolarHBondContact N-O 3.37Å; M1057-T1059 HydrophobicContact CB-CG2 3.84Å; M1057-T1059 PolarHBondContact O-N 3.26Å; T1059-V1061 HydrophobicContact CG2-CG1 4.41Å; T1059-V1071 HydrophobicContact CG2-CG1 3.64Å; T1059-R1084 PolarHBondContact OG1-NH2 2.79Å
1060	F	90.2	Very high	85.5	Confident	1 Å²	1	50 Å²	50	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.3	171.9	-66.9	-86.2	0	0	0	111.6	V1051 I1052 Y1053 L1072 I1077 L1082	V1051-F1060 HydrophobicContact CG1-CB 3.87Å; V1051-F1060 HydrophobicContact CG1-CD1 4.08Å; V1051-F1060 HydrophobicContact CG1-CG 4.34Å; I1052-F1060 CarbonylContact O-C 3.58Å; I1052-F1060 VanDerWaalsContact O-CA 3.31Å; I1052-F1060 WeakPolarHBondContact O-CA 3.22Å; Y1053-F1060 HydrophobicContact CD2-CD1 4.2Å; Y1053-F1060 HydrophobicContact CD2-CD2 4.03Å; Y1053-F1060 HydrophobicContact CD2-CE1 4.03Å; Y1053-F1060 AromaticContact CD2-CE2 3.83Å; Y1053-F1060 HydrophobicContact CD2-CE2 3.83Å; Y1053-F1060 HydrophobicContact CD2-CG 4.21Å; Y1053-F1060 AromaticContact CD2-CZ 3.84Å; Y1053-F1060 HydrophobicContact CD2-CZ 3.84Å; Y1053-F1060 HydrophobicContact CE2-CE2 4.42Å; Y1053-F1060 HydrophobicContact CG-CE1 4.36Å; Y1053-F1060 HydrophobicContact CG-CZ 4.46Å; F1060-L1072 HydrophobicContact CB-CB 4.5Å; F1060-L1072 HydrophobicContact CB-CD2 4.25Å; F1060-L1072 PolarHBondContact O-N 2.62Å; F1060-L1072 VanDerWaalsContact O-N 3.09Å; F1060-I1077 HydrophobicContact CB-CG1 4.34Å; F1060-I1077 HydrophobicContact CD2-CD1 4.27Å; F1060-I1077 HydrophobicContact CD2-CG1 4.16Å; F1060-I1077 HydrophobicContact CD2-CG2 4.21Å; F1060-L1082 HydrophobicContact CB-CD1 4.46Å; F1060-L1082 HydrophobicContact CD1-CD1 3.76Å; F1060-L1082 HydrophobicContact CD2-CB 4.13Å; F1060-L1082 HydrophobicContact CD2-CD1 4.11Å; F1060-L1082 HydrophobicContact CE1-CB 4.45Å; F1060-L1082 HydrophobicContact CE1-CD1 3.95Å; F1060-L1082 HydrophobicContact CE1-CD2 3.93Å; F1060-L1082 HydrophobicContact CE1-CG 4.34Å; F1060-L1082 HydrophobicContact CE2-CB 3.74Å; F1060-L1082 HydrophobicContact CE2-CD1 4.31Å; F1060-L1082 HydrophobicContact CE2-CG 4.46Å; F1060-L1082 HydrophobicContact CG-CD1 3.84Å; F1060-L1082 HydrophobicContact CZ-CB 3.91Å; F1060-L1082 HydrophobicContact CZ-CD1 4.23Å; F1060-L1082 HydrophobicContact CZ-CD2 3.98Å; F1060-L1082 HydrophobicContact CZ-CG 4.27Å
1061	V	91.2	Very high	85.6	Confident	11 Å²	11	48.2 Å²	48.2	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.9	176.7	-57.6	0	0	0	0	109.6	V1051 I1052 E1054 M1057 T1059 Y1070 V1071	V1051-V1061 CarbonylContact C-O 3.58Å; V1051-V1061 WeakPolarHBondContact CA-O 3.23Å; I1052-V1061 HydrophobicContact CD1-CG2 4.39Å; I1052-V1061 HydrophobicContact CG1-CG2 3.79Å; I1052-V1061 PolarHBondContact N-O 3.05Å; I1052-V1061 PolarHBondContact O-N 3.12Å; I1052-V1061 VanDerWaalsContact O-O 3.13Å; E1054-V1061 HydrophobicContact CB-CB 4.47Å; E1054-V1061 HydrophobicContact CB-CG1 3.88Å; E1054-V1061 HydrophobicContact CB-CG2 3.72Å; M1057-V1061 HydrophobicContact SD-CG1 4.1Å; T1059-V1061 HydrophobicContact CG2-CG1 4.41Å; V1061-Y1070 CarbonylContact C-O 3.56Å; V1061-Y1070 WeakPolarHBondContact CA-O 3.43Å; V1061-Y1070 WeakPolarHBondContact CB-O 3.31Å; V1061-V1071 HydrophobicContact CG1-CG2 4.37Å
1062	I	91.7	Very high	85.7	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.4	167.7	-64.9	166.3	0	0	0	108.8	I1043 V1049 L1050 C1064 Y1070 L1072 V1097 V1123 V1125	I1043-I1062 HydrophobicContact CD1-CG2 3.8Å; I1043-I1062 HydrophobicContact CG1-CG2 4.42Å; I1043-I1062 HydrophobicContact CG2-CD1 3.98Å; V1049-I1062 HydrophobicContact CB-CD1 4.33Å; V1049-I1062 HydrophobicContact CB-CG1 4.31Å; V1049-I1062 HydrophobicContact CB-CG2 3.74Å; V1049-I1062 HydrophobicContact CG1-CD1 4.41Å; V1049-I1062 HydrophobicContact CG1-CG2 4.01Å; V1049-I1062 HydrophobicContact CG2-CD1 3.82Å; V1049-I1062 HydrophobicContact CG2-CG1 3.92Å; V1049-I1062 HydrophobicContact CG2-CG2 4.3Å; L1050-I1062 WeakPolarHBondContact O-CA 3.04Å; I1062-C1064 PolarHBondContact O-N 3.27Å; I1062-Y1070 PolarHBondContact N-O 2.76Å; I1062-L1072 HydrophobicContact CG1-CD1 3.91Å; I1062-V1097 HydrophobicContact CD1-CG2 4.04Å; I1062-V1123 HydrophobicContact CD1-CB 4.08Å; I1062-V1123 HydrophobicContact CD1-CG1 3.74Å; I1062-V1123 HydrophobicContact CD1-CG2 4.13Å; I1062-V1125 HydrophobicContact CD1-CG2 4.08Å
1063	F	88.1	Confident	85.8	Confident	70 Å²	70	47.6 Å²	47.6	31%	0.307	26%	0.259	S	S	.	.			trans	-72.5	119.2	170.1	178.7	-100.7	0	0	0	110.1	V1040 L1050 I1052	V1040-F1063 HydrophobicContact CG1-CD1 4.05Å; V1040-F1063 HydrophobicContact CG1-CE1 4.36Å; L1050-F1063 HydrophobicContact CB-CB 4.33Å; L1050-F1063 HydrophobicContact CD2-CB 4.15Å; L1050-F1063 HydrophobicContact CD2-CD1 4.35Å; L1050-F1063 HydrophobicContact CD2-CG 4.38Å; L1050-F1063 HydrophobicContact CG-CB 4.35Å; L1050-F1063 PolarHBondContact O-N 3.1Å; I1052-F1063 HydrophobicContact CD1-CB 4.05Å; I1052-F1063 HydrophobicContact CD1-CD2 3.96Å; I1052-F1063 HydrophobicContact CD1-CG 4.49Å; I1052-F1063 HydrophobicContact CG1-CB 4.3Å; I1052-F1063 HydrophobicContact CG2-CB 4.23Å
1064	C	85.6	Confident	85.8	Confident	22 Å²	22	47.4 Å²	47.4	15%	0.149	26%	0.26	C	S	.	.			trans	-145.5	154.2	177.2	68.1	0	0	0	0	111.4	V1040 I1043 I1062 P1066 Y1070	V1040-C1064 CarbonylContact O-C 3.59Å; V1040-C1064 VanDerWaalsContact O-CA 3.23Å; V1040-C1064 WeakPolarHBondContact O-CA 3.33Å; I1043-C1064 HydrophobicContact CD1-CB 4.17Å; I1043-C1064 HydrophobicContact CG1-CB 4.1Å; I1062-C1064 PolarHBondContact O-N 3.27Å; C1064-P1066 PolarHBondContact SG-O 2.87Å; C1064-Y1070 HydrophobicContact CB-CD2 4.36Å; C1064-Y1070 HydrophobicContact CB-CE2 4.4Å; C1064-Y1070 WeakPolarHBondContact SG-CD2 3.15Å
1065	L	77.6	Confident	86	Confident	119 Å²	119	48 Å²	48	62%	0.623	27%	0.27	S	S	*	.	S	Bend	trans	-74.4	-34.4	177.5	-56.5	-174.6	0	0	0	114.4	V1040 V1041	V1040-L1065 HydrophobicContact CG2-CD1 4.46Å; V1040-L1065 HydrophobicContact CG2-CG 4.36Å; V1040-L1065 PolarHBondContact O-N 3.3Å; V1041-L1065 HydrophobicContact CG2-CD1 4.16Å
1066	P	75.8	Confident	86.4	Confident	52 Å²	52	43.4 Å²	43.4	34%	0.338	24%	0.24	S	C	.	.	S	Bend	trans	-63.3	142.8	174	-22.7	34.3	0	0	0	112	V1041 C1064 V1068	V1041-P1066 VanDerWaalsContact O-CG 3.23Å; V1041-P1066 WeakPolarHBondContact O-CG 3.38Å; C1064-P1066 PolarHBondContact SG-O 2.87Å; P1066-V1068 PolarHBondContact O-N 3.38Å
1067	K	75.4	Confident	86.8	Confident	218 Å²	218	38.4 Å²	38.4	95%	0.948	21%	0.209	S	C	*	.	S	Bend	trans	-65.4	7.5	178.9	-65.8	-176.6	177.4	177.7	0	115.3
1068	V	81.9	Confident	86.9	Confident	54 Å²	54	47 Å²	47	33%	0.327	24%	0.241	S	C	.	.	S	Bend	trans	-96.2	118.4	-179.4	-174.5	0	0	0	0	109	P1066 Y1070 Y1121	P1066-V1068 PolarHBondContact O-N 3.38Å; V1068-Y1070 WeakPolarHBondContact O-CD2 3.46Å; V1068-Y1070 WeakPolarHBondContact O-CE2 3.17Å; V1068-Y1121 HydrophobicContact CG1-CD2 3.71Å; V1068-Y1121 HydrophobicContact CG1-CE2 3.99Å
1069	S	85.3	Confident	86.9	Confident	45 Å²	45	51.2 Å²	51.2	32%	0.315	25%	0.249	S	C	.	.			trans	-68.4	134.4	179.4	-46.3	0	0	0	0	112.1	F1120 Y1121	S1069-F1120 WeakPolarHBondContact O-CA 3.45Å; S1069-F1120 WeakPolarHBondContact O-CB 3.2Å; S1069-Y1121 PolarHBondContact O-N 3.25Å
1070	Y	92.4	Very high	86.8	Confident	17 Å²	17	52.2 Å²	52.2	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.3	174.7	-72.5	-98.9	0	0	0	109.5	I1043 V1061 I1062 C1064 V1068 K1100 Y1121 V1123	I1043-Y1070 HydrophobicContact CB-CD1 4.02Å; I1043-Y1070 HydrophobicContact CB-CE1 3.59Å; I1043-Y1070 HydrophobicContact CB-CE2 4.41Å; I1043-Y1070 HydrophobicContact CG1-CD1 4.36Å; I1043-Y1070 HydrophobicContact CG1-CD2 4.31Å; I1043-Y1070 HydrophobicContact CG1-CE1 4.08Å; I1043-Y1070 HydrophobicContact CG1-CE2 4Å; I1043-Y1070 HydrophobicContact CG1-CG 4.48Å; I1043-Y1070 HydrophobicContact CG2-CD1 3.85Å; I1043-Y1070 HydrophobicContact CG2-CE1 3.89Å; I1043-Y1070 HydrophobicContact CG2-CG 4.49Å; V1061-Y1070 CarbonylContact C-O 3.56Å; V1061-Y1070 WeakPolarHBondContact CA-O 3.43Å; V1061-Y1070 WeakPolarHBondContact CB-O 3.31Å; I1062-Y1070 PolarHBondContact N-O 2.76Å; C1064-Y1070 HydrophobicContact CB-CD2 4.36Å; C1064-Y1070 HydrophobicContact CB-CE2 4.4Å; C1064-Y1070 WeakPolarHBondContact SG-CD2 3.15Å; V1068-Y1070 WeakPolarHBondContact O-CD2 3.46Å; V1068-Y1070 WeakPolarHBondContact O-CE2 3.17Å; Y1070-K1100 HydrophobicContact CE1-CD 4.5Å; Y1070-Y1121 CarbonylContact C-O 3.52Å; Y1070-Y1121 WeakPolarHBondContact CA-O 3.48Å; Y1070-Y1121 VanDerWaalsContact CD1-CB 3.41Å; Y1070-Y1121 AromaticContact CD1-CD2 3.86Å; Y1070-Y1121 HydrophobicContact CD1-CD2 3.86Å; Y1070-Y1121 AromaticContact CD1-CG 3.84Å; Y1070-Y1121 HydrophobicContact CD1-CG 3.84Å; Y1070-Y1121 HydrophobicContact CE1-CD1 4.47Å; Y1070-Y1121 AromaticContact CE1-CD2 3.32Å; Y1070-Y1121 HydrophobicContact CE1-CD2 3.32Å; Y1070-Y1121 HydrophobicContact CE1-CE2 4.01Å; Y1070-Y1121 AromaticContact CE1-CG 3.6Å; Y1070-Y1121 HydrophobicContact CE1-CG 3.6Å; Y1070-Y1121 HydrophobicContact CE2-CD2 4.18Å; Y1070-Y1121 HydrophobicContact CG-CD2 4.47Å; Y1070-Y1121 AromaticContact CZ-CD2 3.52Å; Y1070-Y1121 AromaticContact CZ-CE2 3.95Å; Y1070-V1123 HydrophobicContact CD1-CG2 3.74Å; Y1070-V1123 HydrophobicContact CG-CG2 4.31Å
1071	V	92.3	Very high	86.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.7	-169	-170.3	0	0	0	0	111.2	M1057 T1059 V1061 Y1112 F1120 Y1121 R1122 V1123	M1057-V1071 HydrophobicContact CE-CG1 4.4Å; M1057-V1071 HydrophobicContact CE-CG2 3.36Å; M1057-V1071 HydrophobicContact SD-CG2 4.41Å; T1059-V1071 HydrophobicContact CG2-CG1 3.64Å; V1061-V1071 HydrophobicContact CG1-CG2 4.37Å; V1071-Y1112 HydrophobicContact CG1-CD1 3.53Å; V1071-Y1112 HydrophobicContact CG1-CE1 3.66Å; V1071-Y1112 HydrophobicContact CG1-CG 4.35Å; V1071-F1120 HydrophobicContact CB-CD2 4.18Å; V1071-F1120 HydrophobicContact CB-CE2 4.46Å; V1071-F1120 HydrophobicContact CG2-CD2 3.68Å; V1071-F1120 HydrophobicContact CG2-CE2 4.29Å; V1071-F1120 HydrophobicContact CG2-CG 4.46Å; V1071-Y1121 PolarHBondContact N-O 2.9Å; V1071-R1122 CarbonylContact O-C 3.54Å; V1071-R1122 WeakPolarHBondContact O-CA 3.38Å; V1071-V1123 PolarHBondContact O-N 2.95Å
1072	L	92.8	Very high	86	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	145.9	-178.6	-85.8	71.4	0	0	0	112.8	V1051 F1060 I1062 I1077 L1080 V1123 V1125	V1051-L1072 HydrophobicContact CB-CD2 4.48Å; V1051-L1072 HydrophobicContact CG1-CD1 3.99Å; V1051-L1072 HydrophobicContact CG1-CD2 3.55Å; V1051-L1072 HydrophobicContact CG1-CG 4.44Å; V1051-L1072 HydrophobicContact CG2-CD1 4.32Å; V1051-L1072 HydrophobicContact CG2-CD2 4.04Å; F1060-L1072 HydrophobicContact CB-CB 4.5Å; F1060-L1072 HydrophobicContact CB-CD2 4.25Å; F1060-L1072 PolarHBondContact O-N 2.62Å; F1060-L1072 VanDerWaalsContact O-N 3.09Å; I1062-L1072 HydrophobicContact CG1-CD1 3.91Å; L1072-I1077 HydrophobicContact CB-CG1 4.06Å; L1072-L1080 HydrophobicContact CD2-CD1 3.66Å; L1072-V1123 CarbonylContact C-O 3.51Å; L1072-V1123 WeakPolarHBondContact CA-O 3.46Å; L1072-V1125 HydrophobicContact CD1-CG2 4.47Å; L1072-V1125 HydrophobicContact CD2-CB 4.42Å; L1072-V1125 HydrophobicContact CD2-CG2 4.36Å; L1072-V1125 HydrophobicContact CG-CG2 4.12Å
1073	T	91.6	Very high	85.2	Confident	18 Å²	18	57.6 Å²	57.6	11%	0.11	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.3	150.6	166.9	60.2	0	0	0	0	111.6	S1075 S1076 I1077 R1122 V1123 S1124	T1073-S1075 WeakPolarHBondContact CB-OG 3.31Å; T1073-S1075 PolarHBondContact O-N 3.36Å; T1073-S1075 PolarHBondContact OG1-OG 3.34Å; T1073-S1076 PolarHBondContact O-N 3.15Å; T1073-S1076 PolarHBondContact OG1-N 3.21Å; T1073-S1076 PolarHBondContact OG1-OG 3.2Å; T1073-I1077 PolarHBondContact O-N 3.24Å; T1073-R1122 HydrophobicContact CG2-CG 3.63Å; T1073-V1123 PolarHBondContact N-O 2.97Å; T1073-S1124 WeakPolarHBondContact CG2-OG 3.31Å; T1073-S1124 PolarHBondContact OG1-OG 2.88Å
1074	E	88	Confident	84.5	Confident	54 Å²	54	58 Å²	58	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-56.4	-35.8	176.4	-161.6	72	-156.4	0	0	112.6	S1076 R1078 R1084 R1111	E1074-S1076 VanDerWaalsContact C-N 3.32Å; E1074-S1076 PolarHBondContact O-N 3.39Å; E1074-R1078 WeakPolarHBondContact O-CG 3.47Å; E1074-R1078 PolarHBondContact O-N 3.08Å; E1074-R1078 VanDerWaalsContact O-N 3.16Å; E1074-R1084 VanDerWaalsContact CD-NH1 3.27Å; E1074-R1084 IonicContact OE1-NH1 3.82Å; E1074-R1084 PolarHBondContact OE1-NH1 3.35Å; E1074-R1084 IonicContact OE2-CZ 3.96Å; E1074-R1084 IonicContact OE2-NH1 3.42Å; E1074-R1084 PolarHBondContact OE2-NH1 2.67Å; E1074-R1084 IonicContact OE2-NH2 2.71Å; E1074-R1084 PolarHBondContact OE2-NH2 2.94Å; E1074-R1111 IonicContact OE2-CZ 2.65Å; E1074-R1111 IonicContact OE2-NE 2.88Å; E1074-R1111 IonicContact OE2-NH2 3.57Å; E1074-R1111 PolarHBondContact OE2-NH2 3.35Å
1075	S	89.4	Confident	83.5	Confident	65 Å²	65	66 Å²	66	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-37.1	174.4	35.5	0	0	0	0	112.7	T1073 R1079	T1073-S1075 WeakPolarHBondContact CB-OG 3.31Å; T1073-S1075 PolarHBondContact O-N 3.36Å; T1073-S1075 PolarHBondContact OG1-OG 3.34Å; S1075-R1079 WeakPolarHBondContact O-CB 3.42Å; S1075-R1079 PolarHBondContact O-N 3.08Å
1076	S	90.3	Very high	82.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-78.6	-36.1	178.7	-69.6	0	0	0	0	112.9	T1073 E1074 R1078 R1079 L1080 S1124 V1125	T1073-S1076 PolarHBondContact O-N 3.15Å; T1073-S1076 PolarHBondContact OG1-N 3.21Å; T1073-S1076 PolarHBondContact OG1-OG 3.2Å; E1074-S1076 VanDerWaalsContact C-N 3.32Å; E1074-S1076 PolarHBondContact O-N 3.39Å; S1076-R1078 VanDerWaalsContact C-N 3.3Å; S1076-R1078 PolarHBondContact O-N 3.16Å; S1076-R1079 PolarHBondContact O-N 3.45Å; S1076-L1080 WeakPolarHBondContact O-CB 3.41Å; S1076-L1080 WeakPolarHBondContact O-CG 3.49Å; S1076-L1080 PolarHBondContact O-N 3.01Å; S1076-S1124 WeakPolarHBondContact OG-CA 3.3Å; S1076-V1125 WeakPolarHBondContact CB-O 3.31Å; S1076-V1125 PolarHBondContact OG-N 3.12Å; S1076-V1125 PolarHBondContact OG-O 3.37Å
1077	I	87.7	Confident	81.7	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-55.2	-49.3	170.5	-66.6	172	0	0	0	109.6	F1060 L1072 T1073 R1079 L1080 L1082	F1060-I1077 HydrophobicContact CB-CG1 4.34Å; F1060-I1077 HydrophobicContact CD2-CD1 4.27Å; F1060-I1077 HydrophobicContact CD2-CG1 4.16Å; F1060-I1077 HydrophobicContact CD2-CG2 4.21Å; L1072-I1077 HydrophobicContact CB-CG1 4.06Å; T1073-I1077 PolarHBondContact O-N 3.24Å; I1077-R1079 PolarHBondContact O-N 3.28Å; I1077-L1080 PolarHBondContact O-N 3.43Å; I1077-L1082 HydrophobicContact CG2-CB 4Å; I1077-L1082 VanDerWaalsContact CG2-O 3.29Å; I1077-L1082 WeakPolarHBondContact CG2-O 3.31Å; I1077-L1082 PolarHBondContact O-N 3.5Å
1078	R	85.8	Confident	80.7	Confident	192 Å²	192	58.3 Å²	58.3	73%	0.725	31%	0.309	S	S	*	.	H	α-helix	trans	-63.1	-41	175.4	-67.7	178.2	-174.4	-166.1	-1.1	113.5	E1074 S1076 L1080 G1081	E1074-R1078 WeakPolarHBondContact O-CG 3.47Å; E1074-R1078 PolarHBondContact O-N 3.08Å; E1074-R1078 VanDerWaalsContact O-N 3.16Å; S1076-R1078 VanDerWaalsContact C-N 3.3Å; S1076-R1078 PolarHBondContact O-N 3.16Å; R1078-L1080 VanDerWaalsContact C-N 3.32Å; R1078-L1080 PolarHBondContact O-N 3.08Å; R1078-G1081 PolarHBondContact O-N 3.28Å
1079	R	84.9	Confident	79.3	Confident	128 Å²	128	62.7 Å²	62.7	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-69.4	-29.2	-178	-161.1	-171.9	-65.1	-172.5	-1.2	112.9	S1075 S1076 I1077 G1081 E1126 P1127	S1075-R1079 WeakPolarHBondContact O-CB 3.42Å; S1075-R1079 PolarHBondContact O-N 3.08Å; S1076-R1079 PolarHBondContact O-N 3.45Å; I1077-R1079 PolarHBondContact O-N 3.28Å; R1079-G1081 VanDerWaalsContact C-N 3.29Å; R1079-E1126 IonicContact NH1-OE2 2.75Å; R1079-E1126 PolarHBondContact NH1-OE2 3.08Å; R1079-P1127 HydrophobicContact CG-CG 4.38Å
1080	L	84.8	Confident	77.8	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.11	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.8	175.5	-68.7	168.3	0	0	0	113.4	V1051 L1072 S1076 I1077 R1078 L1082 T1093 V1125 P1127	V1051-L1080 HydrophobicContact CG1-CD1 4.48Å; V1051-L1080 HydrophobicContact CG2-CD1 4.14Å; L1072-L1080 HydrophobicContact CD2-CD1 3.66Å; S1076-L1080 WeakPolarHBondContact O-CB 3.41Å; S1076-L1080 WeakPolarHBondContact O-CG 3.49Å; S1076-L1080 PolarHBondContact O-N 3.01Å; I1077-L1080 PolarHBondContact O-N 3.43Å; R1078-L1080 VanDerWaalsContact C-N 3.32Å; R1078-L1080 PolarHBondContact O-N 3.08Å; L1080-L1082 HydrophobicContact CB-CD1 3.85Å; L1080-L1082 HydrophobicContact CB-CG 3.83Å; L1080-L1082 HydrophobicContact CD1-CD1 3.95Å; L1080-L1082 PolarHBondContact O-N 3.49Å; L1080-T1093 HydrophobicContact CB-CG2 4.37Å; L1080-T1093 HydrophobicContact CD1-CG2 4.25Å; L1080-T1093 HydrophobicContact CD2-CG2 4.37Å; L1080-V1125 HydrophobicContact CD1-CB 4.26Å; L1080-V1125 HydrophobicContact CD1-CG1 4.03Å; L1080-V1125 HydrophobicContact CD2-CG1 4.42Å; L1080-P1127 HydrophobicContact CD2-CB 4.15Å
1081	G	81.1	Confident	76.5	Confident	72 Å²	72	66.7 Å²	66.7	74%	0.742	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	8.6	-175.3	0	0	0	0	0	114.7	R1078 R1079	R1078-G1081 PolarHBondContact O-N 3.28Å; R1079-G1081 VanDerWaalsContact C-N 3.29Å
1082	L	82.9	Confident	76.1	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	37%	0.368	C	S	.	.			trans	-80.6	147.5	-177.4	-61.5	172.2	0	0	0	111.3	V1051 F1060 I1077 L1080 T1093	V1051-L1082 HydrophobicContact CG1-CD1 3.94Å; F1060-L1082 HydrophobicContact CB-CD1 4.46Å; F1060-L1082 HydrophobicContact CD1-CD1 3.76Å; F1060-L1082 HydrophobicContact CD2-CB 4.13Å; F1060-L1082 HydrophobicContact CD2-CD1 4.11Å; F1060-L1082 HydrophobicContact CE1-CB 4.45Å; F1060-L1082 HydrophobicContact CE1-CD1 3.95Å; F1060-L1082 HydrophobicContact CE1-CD2 3.93Å; F1060-L1082 HydrophobicContact CE1-CG 4.34Å; F1060-L1082 HydrophobicContact CE2-CB 3.74Å; F1060-L1082 HydrophobicContact CE2-CD1 4.31Å; F1060-L1082 HydrophobicContact CE2-CG 4.46Å; F1060-L1082 HydrophobicContact CG-CD1 3.84Å; F1060-L1082 HydrophobicContact CZ-CB 3.91Å; F1060-L1082 HydrophobicContact CZ-CD1 4.23Å; F1060-L1082 HydrophobicContact CZ-CD2 3.98Å; F1060-L1082 HydrophobicContact CZ-CG 4.27Å; I1077-L1082 HydrophobicContact CG2-CB 4Å; I1077-L1082 VanDerWaalsContact CG2-O 3.29Å; I1077-L1082 WeakPolarHBondContact CG2-O 3.31Å; I1077-L1082 PolarHBondContact O-N 3.5Å; L1080-L1082 HydrophobicContact CB-CD1 3.85Å; L1080-L1082 HydrophobicContact CB-CG 3.83Å; L1080-L1082 HydrophobicContact CD1-CD1 3.95Å; L1080-L1082 PolarHBondContact O-N 3.49Å; L1082-T1093 HydrophobicContact CD1-CG2 3.78Å; L1082-T1093 HydrophobicContact CD2-CG2 3.96Å; L1082-T1093 HydrophobicContact CG-CG2 4.13Å
1083	S	76.6	Confident	75.7	Confident	42 Å²	42	73.7 Å²	73.7	29%	0.294	38%	0.375	S	S	.	.			trans	-137.1	136.9	175	167.1	0	0	0	0	111.2	Q1085 T1086 A1087	S1083-Q1085 PolarHBondContact O-N 3.13Å; S1083-Q1085 PolarHBondContact OG-N 3.45Å; S1083-Q1085 VanDerWaalsContact OG-N 3.16Å; S1083-T1086 WeakPolarHBondContact CB-OG1 3.44Å; S1083-T1086 PolarHBondContact O-N 3.13Å; S1083-A1087 PolarHBondContact O-N 3.15Å
1084	R	73.3	Confident	75.6	Confident	77 Å²	77	75.9 Å²	75.9	29%	0.291	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-67.8	-20.9	174.4	-67.6	-168.8	-179.4	97	6.9	113.1	A1058 T1059 E1074	A1058-R1084 VanDerWaalsContact O-CD 3.23Å; A1058-R1084 WeakPolarHBondContact O-CD 3.48Å; A1058-R1084 PolarHBondContact O-NE 3.42Å; A1058-R1084 VanDerWaalsContact O-NE 3.1Å; T1059-R1084 PolarHBondContact OG1-NH2 2.79Å; E1074-R1084 VanDerWaalsContact CD-NH1 3.27Å; E1074-R1084 IonicContact OE1-NH1 3.82Å; E1074-R1084 PolarHBondContact OE1-NH1 3.35Å; E1074-R1084 IonicContact OE2-CZ 3.96Å; E1074-R1084 IonicContact OE2-NH1 3.42Å; E1074-R1084 PolarHBondContact OE2-NH1 2.67Å; E1074-R1084 IonicContact OE2-NH2 2.71Å; E1074-R1084 PolarHBondContact OE2-NH2 2.94Å
1085	Q	63.6	Low	75.6	Confident	190 Å²	190	73.3 Å²	73.3	89%	0.888	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-83.5	-18.7	179.8	-68.1	176.9	-19.5	0	0	112.6	S1083	S1083-Q1085 PolarHBondContact O-N 3.13Å; S1083-Q1085 PolarHBondContact OG-N 3.45Å; S1083-Q1085 VanDerWaalsContact OG-N 3.16Å
1086	T	59.2	Low	75.7	Confident	69 Å²	69	75 Å²	75	42%	0.423	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-121.6	33.9	179.5	51.7	0	0	0	0	111.8	S1083 D1088 L1089	S1083-T1086 WeakPolarHBondContact CB-OG1 3.44Å; S1083-T1086 PolarHBondContact O-N 3.13Å; T1086-D1088 PolarHBondContact O-N 3.09Å; T1086-D1088 VanDerWaalsContact O-N 3.11Å; T1086-L1089 HydrophobicContact CG2-CD1 4.05Å; T1086-L1089 PolarHBondContact O-N 3.17Å
1087	A	56.5	Low	75.8	Confident	13 Å²	13	75 Å²	75	11%	0.107	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20	180	0	0	0	0	0	113.8	Y1053 S1083	Y1053-A1087 HydrophobicContact CD1-CB 3.93Å; Y1053-A1087 HydrophobicContact CD2-CB 3.96Å; Y1053-A1087 HydrophobicContact CE1-CB 3.87Å; Y1053-A1087 HydrophobicContact CE2-CB 3.92Å; Y1053-A1087 HydrophobicContact CG-CB 3.96Å; S1083-A1087 PolarHBondContact O-N 3.15Å
1088	D	53.8	Low	75.9	Confident	146 Å²	146	78 Å²	78	78%	0.781	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.9	175.6	-68.8	-38.9	0	0	0	113.9	T1086	T1086-D1088 PolarHBondContact O-N 3.09Å; T1086-D1088 VanDerWaalsContact O-N 3.11Å
1089	L	53.4	Low	76.2	Confident	146 Å²	146	74.7 Å²	74.7	76%	0.764	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-32.6	-173.8	-78.8	160.7	0	0	0	113.7	T1086	T1086-L1089 HydrophobicContact CG2-CD1 4.05Å; T1086-L1089 PolarHBondContact O-N 3.17Å
1090	C	52.9	Low	76.5	Confident	40 Å²	40	70.8 Å²	70.8	27%	0.27	36%	0.361	S	S	.	.			trans	-143.3	96.6	176.5	-167.3	0	0	0	0	109.2	W1092	C1090-W1092 VanDerWaalsContact C-N 3.33Å; C1090-W1092 PolarHBondContact O-N 3.27Å; C1090-W1092 PolarHBondContact SG-O 3.06Å; C1090-W1092 VanDerWaalsContact SG-O 3.33Å
1091	K	66.1	Low	76.9	Confident	107 Å²	107	72.4 Å²	72.4	47%	0.465	37%	0.368	S	S	.	.			trans	-76.5	-19.4	-171.1	-71.5	-179.4	179.2	175.3	0	113.9	Y1053	Y1053-K1091 PolarHBondContact N-O 3.33Å
1092	W	82.9	Confident	77.4	Confident	123 Å²	123	73.4 Å²	73.4	47%	0.466	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.9	-174.9	61.4	-91.4	0	0	0	111.5	L1050 V1051 I1052 C1090 F1094	L1050-W1092 HydrophobicContact CD1-CB 4.14Å; L1050-W1092 HydrophobicContact CD1-CD2 4.23Å; L1050-W1092 HydrophobicContact CD1-CE3 3.66Å; L1050-W1092 HydrophobicContact CD1-CG 4.46Å; L1050-W1092 HydrophobicContact CD1-CZ3 4.48Å; V1051-W1092 CarbonylContact O-C 3.59Å; V1051-W1092 WeakPolarHBondContact O-CA 3.46Å; V1051-W1092 VanDerWaalsContact O-CB 3.32Å; V1051-W1092 WeakPolarHBondContact O-CB 3.45Å; I1052-W1092 HydrophobicContact CG2-CB 3.94Å; C1090-W1092 VanDerWaalsContact C-N 3.33Å; C1090-W1092 PolarHBondContact O-N 3.27Å; C1090-W1092 PolarHBondContact SG-O 3.06Å; C1090-W1092 VanDerWaalsContact SG-O 3.33Å; W1092-F1094 HydrophobicContact CH2-CE2 4.46Å; W1092-F1094 HydrophobicContact CZ3-CD2 4.24Å; W1092-F1094 AromaticContact CZ3-CE2 3.66Å; W1092-F1094 HydrophobicContact CZ3-CE2 3.66Å; W1092-F1094 AromaticContact CZ3-CZ 3.92Å; W1092-F1094 HydrophobicContact CZ3-CZ 3.92Å
1093	T	86.2	Confident	77.8	Confident	24 Å²	24	73.6 Å²	73.6	15%	0.147	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.1	172.7	-167.6	0	0	0	0	110.1	V1051 L1080 L1082	V1051-T1093 HydrophobicContact CB-CG2 4Å; V1051-T1093 HydrophobicContact CG1-CG2 4.39Å; V1051-T1093 PolarHBondContact N-O 2.91Å; V1051-T1093 PolarHBondContact O-N 2.99Å; L1080-T1093 HydrophobicContact CB-CG2 4.37Å; L1080-T1093 HydrophobicContact CD1-CG2 4.25Å; L1080-T1093 HydrophobicContact CD2-CG2 4.37Å; L1082-T1093 HydrophobicContact CD1-CG2 3.78Å; L1082-T1093 HydrophobicContact CD2-CG2 3.96Å; L1082-T1093 HydrophobicContact CG-CG2 4.13Å
1094	F	87.7	Confident	78.4	Confident	64 Å²	64	76.8 Å²	76.8	28%	0.281	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	150.9	171.4	-62.4	-64.9	0	0	0	111.4	I1038 V1049 L1050 W1092 I1128	I1038-F1094 HydrophobicContact CD1-CD1 4.31Å; I1038-F1094 HydrophobicContact CD1-CE1 3.45Å; I1038-F1094 VanDerWaalsContact CD1-CE1 3.45Å; I1038-F1094 HydrophobicContact CD1-CZ 3.96Å; I1038-F1094 HydrophobicContact CG1-CD1 4.29Å; I1038-F1094 HydrophobicContact CG1-CE1 3.91Å; V1049-F1094 WeakPolarHBondContact O-CA 3.48Å; L1050-F1094 HydrophobicContact CB-CE1 4.36Å; L1050-F1094 HydrophobicContact CD1-CD1 4.13Å; L1050-F1094 HydrophobicContact CD1-CE1 3.74Å; L1050-F1094 HydrophobicContact CD1-CZ 4.36Å; W1092-F1094 HydrophobicContact CH2-CE2 4.46Å; W1092-F1094 HydrophobicContact CZ3-CD2 4.24Å; W1092-F1094 AromaticContact CZ3-CE2 3.66Å; W1092-F1094 HydrophobicContact CZ3-CE2 3.66Å; W1092-F1094 AromaticContact CZ3-CZ 3.92Å; W1092-F1094 HydrophobicContact CZ3-CZ 3.92Å; F1094-I1128 HydrophobicContact CB-CD1 3.84Å
1095	G	88.7	Confident	79.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.5	170.4	0	0	0	0	0	112.5	V1048 V1049 E1126	V1048-G1095 WeakPolarHBondContact CA-O 3.34Å; V1049-G1095 VanDerWaalsContact CG2-O 3.29Å; V1049-G1095 WeakPolarHBondContact CG2-O 3.34Å; V1049-G1095 PolarHBondContact N-O 3.03Å; V1049-G1095 PolarHBondContact O-N 3.29Å; V1049-G1095 VanDerWaalsContact O-N 3.1Å; G1095-E1126 CarbonylContact C-O 3.53Å; G1095-E1126 WeakPolarHBondContact CA-O 3.4Å
1096	R	91.6	Very high	80.2	Confident	99 Å²	99	73.7 Å²	73.7	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.6	175.5	-168.4	-173.1	-61.8	-88.9	5.1	110.1	G1046 E1047 I1098 V1125 E1126 I1128	G1046-R1096 WeakPolarHBondContact O-CG 3.47Å; G1046-R1096 PolarHBondContact O-NH1 3.38Å; E1047-R1096 CarbonylContact O-C 3.57Å; E1047-R1096 WeakPolarHBondContact O-CA 3.37Å; R1096-I1098 PolarHBondContact O-N 3.48Å; R1096-V1125 CarbonylContact O-C 3.6Å; R1096-V1125 VanDerWaalsContact O-CA 3.23Å; R1096-V1125 WeakPolarHBondContact O-CA 3.44Å; R1096-V1125 WeakPolarHBondContact O-CG1 3.28Å; R1096-E1126 HydrophobicContact CB-CG 4Å; R1096-E1126 PolarHBondContact N-O 3.38Å; R1096-E1126 PolarHBondContact O-N 3.03Å; R1096-I1128 HydrophobicContact CB-CG1 4.44Å
1097	V	91.5	Very high	81.4	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.4	176.7	179.4	0	0	0	0	109.8	I1043 E1044 P1045 G1046 E1047 V1049 I1062 V1123	I1043-V1097 HydrophobicContact CG2-CG2 4.02Å; E1044-V1097 WeakPolarHBondContact O-CB 3.29Å; P1045-V1097 CarbonylContact C-O 3.4Å; P1045-V1097 WeakPolarHBondContact CA-O 3.44Å; G1046-V1097 PolarHBondContact N-O 3.11Å; E1047-V1097 PolarHBondContact O-N 3.24Å; V1049-V1097 HydrophobicContact CB-CG2 4.28Å; V1049-V1097 HydrophobicContact CG1-CG2 3.57Å; V1049-V1097 HydrophobicContact CG2-CG2 3.65Å; I1062-V1097 HydrophobicContact CD1-CG2 4.04Å; V1097-V1123 HydrophobicContact CG1-CG1 3.66Å; V1097-V1123 HydrophobicContact CG2-CG1 4.31Å
1098	I	91.3	Very high	82.5	Confident	66 Å²	66	82.3 Å²	82.3	34%	0.338	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-44.2	177.7	-48.7	161.2	0	0	0	110.5	R1096 S1124 E1126	R1096-I1098 PolarHBondContact O-N 3.48Å; I1098-S1124 WeakPolarHBondContact CB-O 3.38Å; I1098-S1124 PolarHBondContact N-O 2.94Å; I1098-E1126 HydrophobicContact CD1-CB 3.9Å; I1098-E1126 HydrophobicContact CD1-CG 4.04Å; I1098-E1126 HydrophobicContact CG1-CB 4.2Å; I1098-E1126 HydrophobicContact CG1-CG 3.77Å
1099	K	91.8	Very high	83.9	Confident	122 Å²	122	80.3 Å²	80.3	53%	0.53	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	141.5	-175.2	-175.7	172.1	-178.2	174.2	0	110.1	V1123 S1124	K1099-V1123 CarbonylContact O-C 3.49Å; K1099-V1123 WeakPolarHBondContact O-CA 3.34Å; K1099-V1123 WeakPolarHBondContact O-CG1 3.13Å; K1099-S1124 PolarHBondContact N-O 2.93Å; K1099-S1124 PolarHBondContact O-N 3.28Å
1100	K	91.8	Very high	85.4	Confident	47 Å²	47	74.9 Å²	74.9	20%	0.204	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	152	166.2	64.9	179	175.9	-176.9	0	110.8	I1043 E1044 Y1070 Y1121 R1122 V1123	I1043-K1100 VanDerWaalsContact O-CD 3.3Å; I1043-K1100 WeakPolarHBondContact O-CD 3.3Å; I1043-K1100 WeakPolarHBondContact O-CE 3.47Å; I1043-K1100 PolarHBondContact O-NZ 3.46Å; E1044-K1100 IonicContact OE1-NZ 2.81Å; E1044-K1100 PolarHBondContact OE1-NZ 2.94Å; E1044-K1100 WeakPolarHBondContact OE2-CE 3.48Å; E1044-K1100 IonicContact OE2-NZ 3.63Å; E1044-K1100 PolarHBondContact OE2-NZ 3.3Å; Y1070-K1100 HydrophobicContact CE1-CD 4.5Å; K1100-Y1121 HydrophobicContact CB-CD1 4.27Å; K1100-Y1121 HydrophobicContact CD-CD1 4.2Å; K1100-Y1121 HydrophobicContact CD-CE1 4.25Å; K1100-Y1121 HydrophobicContact CG-CD1 4.41Å; K1100-R1122 CarbonylContact C-O 3.42Å; K1100-R1122 WeakPolarHBondContact CA-O 3.2Å; K1100-V1123 HydrophobicContact CB-CG2 4.28Å
1101	Q	92.2	Very high	86.7	Confident	55 Å²	55	80.9 Å²	80.9	26%	0.257	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.4	174.3	-172.7	-178.4	17.2	0	0	109.6	E732 Y1121 R1122	E732-Q1101 WeakPolarHBondContact OE1-CG 3.44Å; E732-Q1101 PolarHBondContact OE1-NE2 3.1Å; Q1101-Y1121 CarbonylContact O-C 3.14Å; Q1101-Y1121 WeakPolarHBondContact O-CA 3.49Å; Q1101-R1122 PolarHBondContact N-O 3.5Å; Q1101-R1122 PolarHBondContact O-N 2.97Å
1102	L	91.4	Very high	87.5	Confident	92 Å²	92	76.9 Å²	76.9	48%	0.482	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.9	176.1	-174.5	63.2	0	0	0	110	Y1121	L1102-Y1121 HydrophobicContact CB-CD1 4.18Å; L1102-Y1121 HydrophobicContact CB-CE1 3.86Å; L1102-Y1121 HydrophobicContact CD1-CD1 4.26Å; L1102-Y1121 HydrophobicContact CD1-CD2 4.5Å; L1102-Y1121 HydrophobicContact CD1-CE1 3.99Å; L1102-Y1121 HydrophobicContact CD1-CE2 4.25Å; L1102-Y1121 HydrophobicContact CG-CE1 4.47Å
1103	C	91.2	Very high	87.6	Confident	21 Å²	21	76.4 Å²	76.4	14%	0.142	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.5	-179.1	-72.8	0	0	0	0	110.6	K1119 F1120	C1103-K1119 WeakPolarHBondContact O-CA 3.23Å; C1103-F1120 WeakPolarHBondContact CA-O 3.42Å; C1103-F1120 HydrophobicContact CB-CD1 4.04Å; C1103-F1120 HydrophobicContact CB-CD2 4.19Å; C1103-F1120 HydrophobicContact CB-CE1 3.6Å; C1103-F1120 HydrophobicContact CB-CE2 3.77Å; C1103-F1120 HydrophobicContact CB-CG 4.33Å; C1103-F1120 HydrophobicContact CB-CZ 3.46Å; C1103-F1120 VanDerWaalsContact CB-CZ 3.46Å; C1103-F1120 PolarHBondContact N-O 3.01Å; C1103-F1120 PolarHBondContact O-N 3.43Å
1104	Q	89.5	Confident	87.5	Confident	110 Å²	110	76.2 Å²	76.2	51%	0.514	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.7	171	-166.1	178.7	12.6	0	0	110.9	K1106 G1117 A1118 K1119	Q1104-K1106 PolarHBondContact O-N 2.91Å; Q1104-G1117 WeakPolarHBondContact CG-O 3.47Å; Q1104-G1117 PolarHBondContact NE2-O 3.36Å; Q1104-A1118 WeakPolarHBondContact CA-O 2.99Å; Q1104-K1119 HydrophobicContact CB-CG 4.45Å; Q1104-K1119 HydrophobicContact CG-CG 4.07Å
1105	T	87.4	Confident	87.4	Confident	10 Å²	10	77.6 Å²	77.6	6%	0.061	39%	0.386	C	S	.	.			trans	-74.3	119.8	179.1	47	0	0	0	0	112.4	L1114 P1115 G1117 A1118 F1120	T1105-L1114 HydrophobicContact CG2-CB 3.69Å; T1105-L1114 HydrophobicContact CG2-CD1 4.41Å; T1105-P1115 WeakPolarHBondContact CB-O 3.41Å; T1105-P1115 PolarHBondContact OG1-O 3Å; T1105-G1117 PolarHBondContact O-N 3.25Å; T1105-G1117 PolarHBondContact OG1-N 2.82Å; T1105-A1118 PolarHBondContact N-O 2.88Å; T1105-A1118 PolarHBondContact OG1-N 3.28Å; T1105-A1118 PolarHBondContact OG1-O 3.43Å; T1105-F1120 HydrophobicContact CG2-CD1 4.47Å; T1105-F1120 HydrophobicContact CG2-CE1 3.92Å
1106	K	86.2	Confident	87.3	Confident	191 Å²	191	82 Å²	82	83%	0.83	41%	0.412	S	S	*	.			trans	-98.1	-8.1	175.8	-62.6	-171.4	179.4	-176.4	0	114.8	Q1104	Q1104-K1106 PolarHBondContact O-N 2.91Å
1107	K	85.1	Confident	87.1	Confident	157 Å²	157	79 Å²	79	68%	0.683	41%	0.412	S	S	*	.	S	Bend	trans	-135.3	141.9	-174.4	-64.7	-175.1	179.1	-176	0	110.7	S1109 N1110	K1107-S1109 VanDerWaalsContact CB-O 3.28Å; K1107-S1109 WeakPolarHBondContact CB-O 3.2Å; K1107-N1110 PolarHBondContact O-ND2 3.32Å
1108	S	79.7	Confident	86.8	Confident	106 Å²	106	80.1 Å²	80.1	74%	0.741	42%	0.422	S	S	*	.	S	Bend	trans	-65.3	-41.7	-179.9	48.2	0	0	0	0	112.1	V1116	S1108-V1116 VanDerWaalsContact CA-CG2 3.44Å
1109	S	83.3	Confident	86.7	Confident	105 Å²	105	83.7 Å²	83.7	73%	0.734	44%	0.435	S	S	*	.	S	Bend	trans	-87.4	119	161.8	-177.4	0	0	0	0	109.4	K1107	K1107-S1109 VanDerWaalsContact CB-O 3.28Å; K1107-S1109 WeakPolarHBondContact CB-O 3.2Å
1110	N	84.9	Confident	86.7	Confident	31 Å²	31	78.2 Å²	78.2	17%	0.166	41%	0.411	C	S	.	.			trans	-147.1	160.7	172.7	63.3	79	0	0	0	110.4	K1107 Y1112 N1113 L1114	K1107-N1110 PolarHBondContact O-ND2 3.32Å; N1110-Y1112 PolarHBondContact O-N 3.14Å; N1110-Y1112 PolarHBondContact OD1-N 3.44Å; N1110-N1113 PolarHBondContact O-N 3.27Å; N1110-N1113 PolarHBondContact OD1-N 3.32Å; N1110-L1114 PolarHBondContact ND2-O 3.14Å; N1110-L1114 PolarHBondContact OD1-N 2.88Å
1111	R	80.8	Confident	86.7	Confident	166 Å²	166	78.8 Å²	78.8	63%	0.626	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-6.7	-172.8	-173.4	171.9	172.8	175.4	0.3	115.4	E1074	E1074-R1111 IonicContact OE2-CZ 2.65Å; E1074-R1111 IonicContact OE2-NE 2.88Å; E1074-R1111 IonicContact OE2-NH2 3.57Å; E1074-R1111 PolarHBondContact OE2-NH2 3.35Å
1112	Y	82.8	Confident	86.8	Confident	23 Å²	23	80.5 Å²	80.5	9%	0.09	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	7.2	-176.2	-53.2	-68	0	0	0	113.5	V1071 N1110 L1114 F1120 R1122	V1071-Y1112 HydrophobicContact CG1-CD1 3.53Å; V1071-Y1112 HydrophobicContact CG1-CE1 3.66Å; V1071-Y1112 HydrophobicContact CG1-CG 4.35Å; N1110-Y1112 PolarHBondContact O-N 3.14Å; N1110-Y1112 PolarHBondContact OD1-N 3.44Å; Y1112-L1114 PolarHBondContact O-N 2.97Å; Y1112-F1120 AromaticContact CD2-CE2 3.88Å; Y1112-F1120 HydrophobicContact CD2-CE2 3.88Å; Y1112-F1120 AromaticContact CD2-CZ 3.63Å; Y1112-F1120 HydrophobicContact CD2-CZ 3.63Å; Y1112-F1120 AromaticContact CE2-CE2 3.92Å; Y1112-F1120 HydrophobicContact CE2-CE2 3.92Å; Y1112-F1120 AromaticContact CE2-CZ 3.82Å; Y1112-F1120 HydrophobicContact CE2-CZ 3.82Å; Y1112-F1120 HydrophobicContact CG-CE2 4.46Å; Y1112-R1122 PolarHBondContact OH-NE 3.44Å; Y1112-R1122 VanDerWaalsContact OH-NE 3.11Å
1113	N	83.7	Confident	86.9	Confident	113 Å²	113	76.1 Å²	76.1	60%	0.604	39%	0.393	S	S	*	.			trans	53.9	22.6	-179.2	-63.7	-17.8	0	0	0	115.5	N1110	N1110-N1113 PolarHBondContact O-N 3.27Å; N1110-N1113 PolarHBondContact OD1-N 3.32Å
1114	L	84.8	Confident	87	Confident	21 Å²	21	76.7 Å²	76.7	11%	0.11	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-83.3	146.2	177.7	-72.7	173.7	0	0	0	111.5	M1057 T1105 N1110 Y1112 A1118 F1120	M1057-L1114 HydrophobicContact CE-CD1 3.77Å; M1057-L1114 HydrophobicContact CE-CD2 3.72Å; M1057-L1114 HydrophobicContact CE-CG 3.67Å; M1057-L1114 HydrophobicContact SD-CD2 4.13Å; T1105-L1114 HydrophobicContact CG2-CB 3.69Å; T1105-L1114 HydrophobicContact CG2-CD1 4.41Å; N1110-L1114 PolarHBondContact ND2-O 3.14Å; N1110-L1114 PolarHBondContact OD1-N 2.88Å; Y1112-L1114 PolarHBondContact O-N 2.97Å; L1114-A1118 HydrophobicContact CB-CB 4.2Å; L1114-F1120 HydrophobicContact CD1-CB 3.94Å; L1114-F1120 HydrophobicContact CD1-CD1 3.4Å; L1114-F1120 HydrophobicContact CD1-CD2 4.18Å; L1114-F1120 HydrophobicContact CD1-CE1 3.86Å; L1114-F1120 HydrophobicContact CD1-CG 3.58Å; L1114-F1120 HydrophobicContact CD1-CZ 4.42Å
1115	P	85.5	Confident	87.2	Confident	93 Å²	93	71.4 Å²	71.4	60%	0.604	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-66	159.8	176.6	27.4	-33.4	0	0	0	111.8	T1105 A1118	T1105-P1115 WeakPolarHBondContact CB-O 3.41Å; T1105-P1115 PolarHBondContact OG1-O 3Å; P1115-A1118 HydrophobicContact CG-CB 4.21Å; P1115-A1118 VanDerWaalsContact O-CB 3.27Å; P1115-A1118 WeakPolarHBondContact O-CB 3.36Å; P1115-A1118 PolarHBondContact O-N 3.41Å
1116	V	87.2	Confident	87.4	Confident	92 Å²	92	74 Å²	74	56%	0.558	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	136.3	178.6	-173.7	0	0	0	0	110.7	S1108 A1118	S1108-V1116 VanDerWaalsContact CA-CG2 3.44Å; V1116-A1118 VanDerWaalsContact C-N 3.31Å; V1116-A1118 PolarHBondContact O-N 3.41Å
1117	G	86.1	Confident	87.4	Confident	35 Å²	35	67.9 Å²	67.9	36%	0.361	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-12.3	-179.8	0	0	0	0	0	114.9	Q1104 T1105 K1119	Q1104-G1117 WeakPolarHBondContact CG-O 3.47Å; Q1104-G1117 PolarHBondContact NE2-O 3.36Å; T1105-G1117 PolarHBondContact O-N 3.25Å; T1105-G1117 PolarHBondContact OG1-N 2.82Å; G1117-K1119 PolarHBondContact O-N 3.21Å
1118	A	85.9	Confident	87.2	Confident	27 Å²	27	61 Å²	61	22%	0.223	34%	0.335	C	S	.	.			trans	-58.7	129.8	176.4	0	0	0	0	0	112	Q1104 T1105 L1114 P1115 V1116	Q1104-A1118 WeakPolarHBondContact CA-O 2.99Å; T1105-A1118 PolarHBondContact N-O 2.88Å; T1105-A1118 PolarHBondContact OG1-N 3.28Å; T1105-A1118 PolarHBondContact OG1-O 3.43Å; L1114-A1118 HydrophobicContact CB-CB 4.2Å; P1115-A1118 HydrophobicContact CG-CB 4.21Å; P1115-A1118 VanDerWaalsContact O-CB 3.27Å; P1115-A1118 WeakPolarHBondContact O-CB 3.36Å; P1115-A1118 PolarHBondContact O-N 3.41Å; V1116-A1118 VanDerWaalsContact C-N 3.31Å; V1116-A1118 PolarHBondContact O-N 3.41Å
1119	K	89.4	Confident	86.4	Confident	141 Å²	141	63.3 Å²	63.3	61%	0.613	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.2	173.5	-64.1	-178.1	-178.5	179.8	0	109.6	C1103 Q1104 G1117	C1103-K1119 WeakPolarHBondContact O-CA 3.23Å; Q1104-K1119 HydrophobicContact CB-CG 4.45Å; Q1104-K1119 HydrophobicContact CG-CG 4.07Å; G1117-K1119 PolarHBondContact O-N 3.21Å
1120	F	91	Very high	85	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.026	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.2	-178.9	67.9	-80.5	0	0	0	109.9	S1069 V1071 C1103 T1105 Y1112 L1114	S1069-F1120 WeakPolarHBondContact O-CA 3.45Å; S1069-F1120 WeakPolarHBondContact O-CB 3.2Å; V1071-F1120 HydrophobicContact CB-CD2 4.18Å; V1071-F1120 HydrophobicContact CB-CE2 4.46Å; V1071-F1120 HydrophobicContact CG2-CD2 3.68Å; V1071-F1120 HydrophobicContact CG2-CE2 4.29Å; V1071-F1120 HydrophobicContact CG2-CG 4.46Å; C1103-F1120 WeakPolarHBondContact CA-O 3.42Å; C1103-F1120 HydrophobicContact CB-CD1 4.04Å; C1103-F1120 HydrophobicContact CB-CD2 4.19Å; C1103-F1120 HydrophobicContact CB-CE1 3.6Å; C1103-F1120 HydrophobicContact CB-CE2 3.77Å; C1103-F1120 HydrophobicContact CB-CG 4.33Å; C1103-F1120 HydrophobicContact CB-CZ 3.46Å; C1103-F1120 VanDerWaalsContact CB-CZ 3.46Å; C1103-F1120 PolarHBondContact N-O 3.01Å; C1103-F1120 PolarHBondContact O-N 3.43Å; T1105-F1120 HydrophobicContact CG2-CD1 4.47Å; T1105-F1120 HydrophobicContact CG2-CE1 3.92Å; Y1112-F1120 AromaticContact CD2-CE2 3.88Å; Y1112-F1120 HydrophobicContact CD2-CE2 3.88Å; Y1112-F1120 AromaticContact CD2-CZ 3.63Å; Y1112-F1120 HydrophobicContact CD2-CZ 3.63Å; Y1112-F1120 AromaticContact CE2-CE2 3.92Å; Y1112-F1120 HydrophobicContact CE2-CE2 3.92Å; Y1112-F1120 AromaticContact CE2-CZ 3.82Å; Y1112-F1120 HydrophobicContact CE2-CZ 3.82Å; Y1112-F1120 HydrophobicContact CG-CE2 4.46Å; L1114-F1120 HydrophobicContact CD1-CB 3.94Å; L1114-F1120 HydrophobicContact CD1-CD1 3.4Å; L1114-F1120 HydrophobicContact CD1-CD2 4.18Å; L1114-F1120 HydrophobicContact CD1-CE1 3.86Å; L1114-F1120 HydrophobicContact CD1-CG 3.58Å; L1114-F1120 HydrophobicContact CD1-CZ 4.42Å
1121	Y	93.4	Very high	83.1	Confident	59 Å²	59	62.3 Å²	62.3	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134	171	-75.2	-78.2	0	0	0	110.2	V1068 S1069 Y1070 V1071 K1100 Q1101 L1102	V1068-Y1121 HydrophobicContact CG1-CD2 3.71Å; V1068-Y1121 HydrophobicContact CG1-CE2 3.99Å; S1069-Y1121 PolarHBondContact O-N 3.25Å; Y1070-Y1121 CarbonylContact C-O 3.52Å; Y1070-Y1121 WeakPolarHBondContact CA-O 3.48Å; Y1070-Y1121 VanDerWaalsContact CD1-CB 3.41Å; Y1070-Y1121 AromaticContact CD1-CD2 3.86Å; Y1070-Y1121 HydrophobicContact CD1-CD2 3.86Å; Y1070-Y1121 AromaticContact CD1-CG 3.84Å; Y1070-Y1121 HydrophobicContact CD1-CG 3.84Å; Y1070-Y1121 HydrophobicContact CE1-CD1 4.47Å; Y1070-Y1121 AromaticContact CE1-CD2 3.32Å; Y1070-Y1121 HydrophobicContact CE1-CD2 3.32Å; Y1070-Y1121 HydrophobicContact CE1-CE2 4.01Å; Y1070-Y1121 AromaticContact CE1-CG 3.6Å; Y1070-Y1121 HydrophobicContact CE1-CG 3.6Å; Y1070-Y1121 HydrophobicContact CE2-CD2 4.18Å; Y1070-Y1121 HydrophobicContact CG-CD2 4.47Å; Y1070-Y1121 AromaticContact CZ-CD2 3.52Å; Y1070-Y1121 AromaticContact CZ-CE2 3.95Å; V1071-Y1121 PolarHBondContact N-O 2.9Å; K1100-Y1121 HydrophobicContact CB-CD1 4.27Å; K1100-Y1121 HydrophobicContact CD-CD1 4.2Å; K1100-Y1121 HydrophobicContact CD-CE1 4.25Å; K1100-Y1121 HydrophobicContact CG-CD1 4.41Å; Q1101-Y1121 CarbonylContact O-C 3.14Å; Q1101-Y1121 WeakPolarHBondContact O-CA 3.49Å; L1102-Y1121 HydrophobicContact CB-CD1 4.18Å; L1102-Y1121 HydrophobicContact CB-CE1 3.86Å; L1102-Y1121 HydrophobicContact CD1-CD1 4.26Å; L1102-Y1121 HydrophobicContact CD1-CD2 4.5Å; L1102-Y1121 HydrophobicContact CD1-CE1 3.99Å; L1102-Y1121 HydrophobicContact CD1-CE2 4.25Å; L1102-Y1121 HydrophobicContact CG-CE1 4.47Å
1122	R	93	Very high	80.9	Confident	91 Å²	91	62.3 Å²	62.3	34%	0.343	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.8	163.6	179.8	-177.5	-66.6	170	6.6	108.1	V1071 T1073 K1100 Q1101 Y1112	V1071-R1122 CarbonylContact O-C 3.54Å; V1071-R1122 WeakPolarHBondContact O-CA 3.38Å; T1073-R1122 HydrophobicContact CG2-CG 3.63Å; K1100-R1122 CarbonylContact C-O 3.42Å; K1100-R1122 WeakPolarHBondContact CA-O 3.2Å; Q1101-R1122 PolarHBondContact N-O 3.5Å; Q1101-R1122 PolarHBondContact O-N 2.97Å; Y1112-R1122 PolarHBondContact OH-NE 3.44Å; Y1112-R1122 VanDerWaalsContact OH-NE 3.11Å
1123	V	93.3	Very high	78.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.2	-171.3	-165.1	0	0	0	0	111.6	I1062 Y1070 V1071 L1072 T1073 V1097 K1099 K1100 V1125	I1062-V1123 HydrophobicContact CD1-CB 4.08Å; I1062-V1123 HydrophobicContact CD1-CG1 3.74Å; I1062-V1123 HydrophobicContact CD1-CG2 4.13Å; Y1070-V1123 HydrophobicContact CD1-CG2 3.74Å; Y1070-V1123 HydrophobicContact CG-CG2 4.31Å; V1071-V1123 PolarHBondContact O-N 2.95Å; L1072-V1123 CarbonylContact C-O 3.51Å; L1072-V1123 WeakPolarHBondContact CA-O 3.46Å; T1073-V1123 PolarHBondContact N-O 2.97Å; V1097-V1123 HydrophobicContact CG1-CG1 3.66Å; V1097-V1123 HydrophobicContact CG2-CG1 4.31Å; K1099-V1123 CarbonylContact O-C 3.49Å; K1099-V1123 WeakPolarHBondContact O-CA 3.34Å; K1099-V1123 WeakPolarHBondContact O-CG1 3.13Å; K1100-V1123 HydrophobicContact CB-CG2 4.28Å; V1123-V1125 HydrophobicContact CG1-CG2 3.95Å
1124	S	94.6	Very high	75.9	Confident	33 Å²	33	66.2 Å²	66.2	23%	0.231	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	166	-67.6	0	0	0	0	109.2	T1073 S1076 I1098 K1099	T1073-S1124 WeakPolarHBondContact CG2-OG 3.31Å; T1073-S1124 PolarHBondContact OG1-OG 2.88Å; S1076-S1124 WeakPolarHBondContact OG-CA 3.3Å; I1098-S1124 WeakPolarHBondContact CB-O 3.38Å; I1098-S1124 PolarHBondContact N-O 2.94Å; K1099-S1124 PolarHBondContact N-O 2.93Å; K1099-S1124 PolarHBondContact O-N 3.28Å
1125	V	92.9	Very high	75.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	-178.5	-175.7	0	0	0	0	109.5	V1049 V1051 I1062 L1072 S1076 L1080 R1096 V1123	V1049-V1125 HydrophobicContact CG2-CG1 4.37Å; V1049-V1125 HydrophobicContact CG2-CG2 4.48Å; V1051-V1125 HydrophobicContact CG2-CG1 4.26Å; I1062-V1125 HydrophobicContact CD1-CG2 4.08Å; L1072-V1125 HydrophobicContact CD1-CG2 4.47Å; L1072-V1125 HydrophobicContact CD2-CB 4.42Å; L1072-V1125 HydrophobicContact CD2-CG2 4.36Å; L1072-V1125 HydrophobicContact CG-CG2 4.12Å; S1076-V1125 WeakPolarHBondContact CB-O 3.31Å; S1076-V1125 PolarHBondContact OG-N 3.12Å; S1076-V1125 PolarHBondContact OG-O 3.37Å; L1080-V1125 HydrophobicContact CD1-CB 4.26Å; L1080-V1125 HydrophobicContact CD1-CG1 4.03Å; L1080-V1125 HydrophobicContact CD2-CG1 4.42Å; R1096-V1125 CarbonylContact O-C 3.6Å; R1096-V1125 VanDerWaalsContact O-CA 3.23Å; R1096-V1125 WeakPolarHBondContact O-CA 3.44Å; R1096-V1125 WeakPolarHBondContact O-CG1 3.28Å; V1123-V1125 HydrophobicContact CG1-CG2 3.95Å
1126	E	91.5	Very high	74.9	Confident	65 Å²	65	67.2 Å²	67.2	30%	0.304	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	155.1	171.1	53.5	-165.4	-166.9	0	0	112.5	R1079 G1095 R1096 I1098	R1079-E1126 IonicContact NH1-OE2 2.75Å; R1079-E1126 PolarHBondContact NH1-OE2 3.08Å; G1095-E1126 CarbonylContact C-O 3.53Å; G1095-E1126 WeakPolarHBondContact CA-O 3.4Å; R1096-E1126 HydrophobicContact CB-CG 4Å; R1096-E1126 PolarHBondContact N-O 3.38Å; R1096-E1126 PolarHBondContact O-N 3.03Å; I1098-E1126 HydrophobicContact CD1-CB 3.9Å; I1098-E1126 HydrophobicContact CD1-CG 4.04Å; I1098-E1126 HydrophobicContact CG1-CB 4.2Å; I1098-E1126 HydrophobicContact CG1-CG 3.77Å
1127	P	86.4	Confident	74.2	Confident	62 Å²	62	65.8 Å²	65.8	40%	0.403	40%	0.399	S	S	.	.			trans	-61.8	159.1	171.4	27.9	-36.2	0	0	0	111.2	R1079 L1080	R1079-P1127 HydrophobicContact CG-CG 4.38Å; L1080-P1127 HydrophobicContact CD2-CB 4.15Å
1128	I	80.9	Confident	73.5	Confident	11 Å²	11	67.6 Å²	67.6	6%	0.056	40%	0.401	C	S	.	.			trans	-105.5	124.3	178.6	-60.4	164.8	0	0	0	108	Y1036 V1048 F1094 R1096 G1130 A1131	Y1036-I1128 HydrophobicContact CD1-CG2 4.43Å; Y1036-I1128 HydrophobicContact CE1-CG2 3.47Å; Y1036-I1128 VanDerWaalsContact CE1-CG2 3.47Å; Y1036-I1128 HydrophobicContact CE2-CG2 4.36Å; Y1036-I1128 VanDerWaalsContact CZ-CG2 3.42Å; Y1036-I1128 WeakPolarHBondContact OH-CG2 3.33Å; V1048-I1128 HydrophobicContact CB-CD1 4.27Å; V1048-I1128 HydrophobicContact CG1-CD1 3.6Å; V1048-I1128 HydrophobicContact CG2-CD1 3.78Å; F1094-I1128 HydrophobicContact CB-CD1 3.84Å; R1096-I1128 HydrophobicContact CB-CG1 4.44Å; I1128-G1130 PolarHBondContact O-N 2.91Å; I1128-A1131 HydrophobicContact CB-CB 4.22Å; I1128-A1131 WeakPolarHBondContact O-CB 3.45Å; I1128-A1131 PolarHBondContact O-N 2.87Å
1129	D	63	Low	72.8	Confident	156 Å²	156	70.2 Å²	70.2	83%	0.834	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	127.4	177.2	-62.4	-45.6	0	0	0	110.6	Y1036	Y1036-D1129 PolarHBondContact OH-O 2.81Å
1130	G	54.8	Low	71.7	Confident	66 Å²	66	65.5 Å²	65.5	68%	0.68	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-12.9	-176.2	0	0	0	0	0	115.5	I1128 I1132	I1128-G1130 PolarHBondContact O-N 2.91Å; G1130-I1132 PolarHBondContact O-N 3.09Å
1131	A	44.9	Very low	70.3	Confident	48 Å²	48	69.7 Å²	69.7	40%	0.397	43%	0.426	S	S	.	.			trans	-78.1	89.5	172.5	0	0	0	0	0	110.6	I1128 A1133	I1128-A1131 HydrophobicContact CB-CB 4.22Å; I1128-A1131 WeakPolarHBondContact O-CB 3.45Å; I1128-A1131 PolarHBondContact O-N 2.87Å; A1131-A1133 PolarHBondContact O-N 3.38Å
1132	I	34.3	Very low	68.5	Low	166 Å²	166	70.5 Å²	70.5	85%	0.851	44%	0.441	S	S	*	.			trans	-62.3	121.6	169.2	-59.6	175.6	0	0	0	108	G1130 S1134	G1130-I1132 PolarHBondContact O-N 3.09Å; I1132-S1134 PolarHBondContact O-N 2.83Å
1133	A	32.5	Very low	66.5	Low	78 Å²	78	68.8 Å²	68.8	65%	0.645	45%	0.449	S	S	*	.			trans	-67.7	122.5	173.5	0	0	0	0	0	109.8	A1131	A1131-A1133 PolarHBondContact O-N 3.38Å
1134	S	28.6	Very low	64	Low	141 Å²	141	75.1 Å²	75.1	99%	0.986	49%	0.49	S	S	*	.			trans	-89.6	0	171.2	63.1	0	0	0	0	111.6	I1132	I1132-S1134 PolarHBondContact O-N 2.83Å

Retrieved 1,134 of 1,134 residues in 754.7 ms (Link to these results)

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